USER MOD reduce.3.24.130724 H: found=0, std=0, add=222, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 222 hydrogens (84 hets) HEADER DNA 20-SEP-02 1MTG TITLE NMR STRUCTURE OF HO2-CO(III)BLEOMYCIN A(2) BOUND TO D(GAGCTC)(2) COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-D(*GP*AP*GP*CP*TP*C)-3'; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS DRUG-DNA COMPLEX, COBALT(III), DNA EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR C.ZHAO,C.XIA,Q.MAO,H.FORSTERLING,E.DEROSE,W.E.ANTHOLINE, AUTHOR 2 W.K.SUBCZYNSKI,D.H.PETERING REVDAT 3 08-FEB-12 1MTG 1 SITE VERSN REVDAT 2 24-FEB-09 1MTG 1 VERSN REVDAT 1 16-OCT-02 1MTG 0 JRNL AUTH C.ZHAO,C.XIA,Q.MAO,H.FORSTERLING,E.DEROSE,W.E.ANTHOLINE, JRNL AUTH 2 W.K.SUBCZYNSKI,D.H.PETERING JRNL TITL STRUCTURES OF HO(2)-CO(III)BLEOMYCIN A(2) BOUND TO JRNL TITL 2 D(GAGCTC)(2) AND D(GGAAGCTTCC)(2): STRUCTURE-REACTIVITY JRNL TITL 3 RELATIONSHIPS OF CO AND FE BLEOMYCINS JRNL REF J.INORG.BIOCHEM. V. 91 259 2002 JRNL REFN ISSN 0162-0134 JRNL PMID 12121784 JRNL DOI 10.1016/S0162-0134(02)00420-8 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : AXEL BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 THE STRUCTURE IS BASED ON A TOTAL OF REMARK 3 348 NOE DISTANCE RESTRAINTS (196 DNA, 112 BLEOMYCIN, 34 REMARK 3 INTERMOLECULAR). REMARK 4 REMARK 4 1MTG COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 26-SEP-02. REMARK 100 THE RCSB ID CODE IS RCSB017171. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298; 298 REMARK 210 PH : 7.4; 7.4 REMARK 210 IONIC STRENGTH : 0.1 M NACL; 0.1 M NACL REMARK 210 PRESSURE : AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 2MM BLEOMYCIN/DNA COMPLEX; 20 MM REMARK 210 PHOSPHATE BUFFER; 0.1 M NACL; 2MM REMARK 210 BLEOMYCIN/DNA COMPLEX; 20 MM REMARK 210 PHOSPHATE BUFFER; 0.1 M NACL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY; DQF-COSY; 2D REMARK 210 13C-HSQC; 2D 31P/1H-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR 1.3, FELIX 2.3 REMARK 210 METHOD USED : MOLECULAR DYNAMICS, SIMULATED REMARK 210 ANNEALING, MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL 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: DIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 1 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES REMARK 500 DG A 1 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG A 1 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 DA A 2 O4' - C1' - N9 ANGL. DEV. = 1.9 DEGREES REMARK 500 DA A 2 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES REMARK 500 DG A 3 O4' - C1' - N9 ANGL. DEV. = 3.4 DEGREES REMARK 500 DG A 3 N7 - C8 - N9 ANGL. DEV. = 4.8 DEGREES REMARK 500 DG A 3 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 DC A 4 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES REMARK 500 DT A 5 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES REMARK 500 DC A 6 O4' - C1' - N1 ANGL. DEV. = 3.1 DEGREES REMARK 500 DG B 7 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES REMARK 500 DG B 7 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG B 7 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES REMARK 500 DA B 8 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES REMARK 500 DA B 8 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 DG B 9 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES REMARK 500 DG B 9 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG B 9 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 DC B 10 O4' - C1' - N1 ANGL. DEV. = 3.1 DEGREES REMARK 500 DT B 11 O4' - C1' - N1 ANGL. DEV. = 3.2 DEGREES REMARK 500 DC B 12 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES 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 3CO A 22 CO REMARK 620 N RES CSSEQI ATOM REMARK 620 1 BLM B 21 NG REMARK 620 2 PEO A 23 O1 88.5 REMARK 620 3 BLM B 21 NC 86.0 93.9 REMARK 620 4 BLM B 21 NB 90.6 176.2 82.4 REMARK 620 5 PEO A 23 O2 74.6 26.9 70.2 149.5 REMARK 620 6 BLM B 21 NH 83.7 87.6 169.6 96.0 108.5 REMARK 620 7 BLM B 21 NJ 170.8 83.6 99.1 97.5 99.8 91.3 REMARK 620 8 BLM B 21 C12 56.7 90.9 142.3 91.7 101.6 27.3 118.6 REMARK 620 9 BLM B 21 C10 26.8 88.6 112.7 92.3 86.2 57.0 147.7 30.0 REMARK 620 N 1 2 3 4 5 6 7 8 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 3CO A 22 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BLM B 21 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PEO A 23 DBREF 1MTG A 1 6 PDB 1MTG 1MTG 1 6 DBREF 1MTG B 7 12 PDB 1MTG 1MTG 7 12 SEQRES 1 A 6 DG DA DG DC DT DC SEQRES 1 B 6 DG DA DG DC DT DC HET 3CO A 22 1 HET BLM B 21 179 HET PEO A 23 3 HETNAM 3CO COBALT (III) ION HETNAM BLM BLEOMYCIN A2 HETNAM PEO HYDROGEN PEROXIDE HETSYN BLM N1-[3-(DIMETHYLSULFONIO)-PROPYL]BLEOMYCINAMIDE FORMUL 3 3CO CO 3+ FORMUL 4 BLM C55 H85 N17 O21 S3 FORMUL 5 PEO H2 O2 LINK NG BLM B 21 CO 3CO A 22 1555 1555 1.82 LINK CO 3CO A 22 O1 PEO A 23 1555 1555 1.84 LINK CO 3CO A 22 NC BLM B 21 1555 1555 2.05 LINK CO 3CO A 22 NB BLM B 21 1555 1555 2.12 LINK CO 3CO A 22 O2 PEO A 23 1555 1555 2.76 LINK CO 3CO A 22 NH BLM B 21 1555 1555 1.96 LINK CO 3CO A 22 NJ BLM B 21 1555 1555 1.97 LINK CO 3CO A 22 C12 BLM B 21 1555 1555 2.68 LINK CO 3CO A 22 C10 BLM B 21 1555 1555 2.69 LINK CO 3CO A 22 C7 BLM B 21 1555 1555 2.72 SITE *** AC1 2 PEO A 23 BLM B 21 SITE *** AC2 10 DG A 3 DC A 4 DT A 5 3CO A 22 SITE *** AC2 10 PEO A 23 DA B 8 DG B 9 DC B 10 SITE *** AC2 10 DT B 11 DC B 12 SITE *** AC3 2 3CO A 22 BLM B 21 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 NoAdj-H: B 21 BLM HNH : B 21 BLM NH : A 22 3COCO :(H bumps) USER MOD Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DC O3' : rot 180:sc= 0 USER MOD Single : B 7 DG O5' : rot 180:sc= 0 USER MOD Single : B 11 DT C7 :methyl 150:sc= -0.473 (180deg=-0.473) USER MOD Single : B 12 DC O3' : rot 180:sc= 0 USER MOD Single : B 21 BLM C54 :methyl -160:sc= -0.872 (180deg=-2.21) USER MOD Single : B 21 BLM C55 :methyl 167:sc= -0.0152 (180deg=-0.112) USER MOD Single : B 21 BLM O58 : rot -13:sc= -2.12 USER MOD Single : B 21 BLM O59 : rot -106:sc= -0.547! USER MOD Single : B 21 BLM O61 : rot 23:sc= 0.915 USER MOD Single : B 21 BLM O66 : rot 65:sc= 0.602 USER MOD Single : B 21 BLM O67 : rot -107:sc= 1.1! USER MOD Single : B 21 BLM O69 : rot -12:sc= 0.299 USER MOD Single : B 21 BLM OH2 : rot 146:sc= 0.95 USER MOD Single : B 21 BLM OH3 : rot -19:sc= 0.0408 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 1.485 -7.981 -0.922 1.00 0.48 O ATOM 2 C5' DG A 1 0.886 -6.695 -1.104 1.00 0.45 C ATOM 3 C4' DG A 1 1.642 -5.615 -0.335 1.00 0.37 C ATOM 4 O4' DG A 1 1.017 -4.324 -0.514 1.00 0.37 O ATOM 5 C3' DG A 1 1.668 -5.932 1.155 1.00 0.33 C ATOM 6 O3' DG A 1 3.018 -6.118 1.610 1.00 0.31 O ATOM 7 C2' DG A 1 1.008 -4.757 1.836 1.00 0.27 C ATOM 8 C1' DG A 1 0.747 -3.715 0.765 1.00 0.28 C ATOM 9 N9 DG A 1 -0.645 -3.237 0.832 1.00 0.29 N ATOM 10 C8 DG A 1 -1.799 -3.933 0.705 1.00 0.34 C ATOM 11 N7 DG A 1 -2.907 -3.275 0.779 1.00 0.34 N ATOM 12 C5 DG A 1 -2.448 -1.970 0.984 1.00 0.29 C ATOM 13 C6 DG A 1 -3.176 -0.762 1.149 1.00 0.26 C ATOM 14 O6 DG A 1 -4.392 -0.593 1.143 1.00 0.28 O ATOM 15 N1 DG A 1 -2.329 0.319 1.330 1.00 0.22 N ATOM 16 C2 DG A 1 -0.956 0.261 1.353 1.00 0.22 C ATOM 17 N2 DG A 1 -0.324 1.414 1.544 1.00 0.21 N ATOM 18 N3 DG A 1 -0.259 -0.866 1.200 1.00 0.23 N ATOM 19 C4 DG A 1 -1.062 -1.940 1.020 1.00 0.26 C ATOM 0 H5' DG A 1 -0.151 -6.724 -0.769 1.00 0.45 H new ATOM 0 H5'' DG A 1 0.871 -6.446 -2.165 1.00 0.45 H new ATOM 0 H4' DG A 1 2.659 -5.590 -0.726 1.00 0.37 H new ATOM 0 H3' DG A 1 1.142 -6.859 1.383 1.00 0.33 H new ATOM 0 H2' DG A 1 0.077 -5.061 2.314 1.00 0.27 H new ATOM 0 H2'' DG A 1 1.651 -4.354 2.619 1.00 0.27 H new ATOM 0 HO5' DG A 1 0.978 -8.652 -1.425 1.00 0.48 H new ATOM 0 H1' DG A 1 1.393 -2.850 0.914 1.00 0.28 H new ATOM 0 H8 DG A 1 -1.793 -5.001 0.547 1.00 0.34 H new ATOM 0 H1 DG A 1 -2.760 1.235 1.457 1.00 0.22 H new ATOM 0 H21 DG A 1 0.695 1.438 1.571 1.00 0.21 H new ATOM 0 H22 DG A 1 -0.858 2.275 1.663 1.00 0.21 H new ATOM 32 P DA A 2 3.359 -6.319 3.176 1.00 0.28 P ATOM 33 OP1 DA A 2 4.656 -7.025 3.281 1.00 0.29 O ATOM 34 OP2 DA A 2 2.162 -6.873 3.847 1.00 0.31 O ATOM 35 O5' DA A 2 3.564 -4.804 3.685 1.00 0.22 O ATOM 36 C5' DA A 2 4.547 -3.953 3.081 1.00 0.20 C ATOM 37 C4' DA A 2 4.609 -2.586 3.763 1.00 0.14 C ATOM 38 O4' DA A 2 3.379 -1.850 3.568 1.00 0.14 O ATOM 39 C3' DA A 2 4.835 -2.745 5.259 1.00 0.12 C ATOM 40 O3' DA A 2 5.987 -1.996 5.677 1.00 0.12 O ATOM 41 C2' DA A 2 3.578 -2.232 5.918 1.00 0.11 C ATOM 42 C1' DA A 2 2.767 -1.540 4.838 1.00 0.11 C ATOM 43 N9 DA A 2 1.356 -1.979 4.846 1.00 0.12 N ATOM 44 C8 DA A 2 0.840 -3.228 4.744 1.00 0.14 C ATOM 45 N7 DA A 2 -0.445 -3.343 4.688 1.00 0.15 N ATOM 46 C5 DA A 2 -0.850 -2.007 4.766 1.00 0.14 C ATOM 47 C6 DA A 2 -2.110 -1.397 4.763 1.00 0.14 C ATOM 48 N6 DA A 2 -3.248 -2.082 4.675 1.00 0.16 N ATOM 49 N1 DA A 2 -2.153 -0.058 4.856 1.00 0.13 N ATOM 50 C2 DA A 2 -1.023 0.647 4.950 1.00 0.11 C ATOM 51 N3 DA A 2 0.221 0.174 4.964 1.00 0.11 N ATOM 52 C4 DA A 2 0.238 -1.171 4.867 1.00 0.12 C ATOM 0 H5' DA A 2 4.315 -3.822 2.024 1.00 0.20 H new ATOM 0 H5'' DA A 2 5.525 -4.431 3.135 1.00 0.20 H new ATOM 0 H4' DA A 2 5.438 -2.039 3.314 1.00 0.14 H new ATOM 0 H3' DA A 2 5.028 -3.782 5.534 1.00 0.12 H new ATOM 0 H2' DA A 2 3.012 -3.051 6.361 1.00 0.11 H new ATOM 0 H2'' DA A 2 3.819 -1.539 6.724 1.00 0.11 H new ATOM 0 H1' DA A 2 2.763 -0.465 5.019 1.00 0.11 H new ATOM 0 H8 DA A 2 1.481 -4.097 4.711 1.00 0.14 H new ATOM 0 H61 DA A 2 -4.141 -1.589 4.677 1.00 0.16 H new ATOM 0 H62 DA A 2 -3.227 -3.099 4.606 1.00 0.16 H new ATOM 0 H2 DA A 2 -1.130 1.719 5.023 1.00 0.11 H new ATOM 64 P DG A 3 6.552 -2.101 7.183 1.00 0.18 P ATOM 65 OP1 DG A 3 7.993 -1.765 7.162 1.00 0.22 O ATOM 66 OP2 DG A 3 6.103 -3.388 7.763 1.00 0.22 O ATOM 67 O5' DG A 3 5.766 -0.911 7.930 1.00 0.18 O ATOM 68 C5' DG A 3 6.027 0.462 7.606 1.00 0.20 C ATOM 69 C4' DG A 3 5.098 1.401 8.372 1.00 0.22 C ATOM 70 O4' DG A 3 3.713 1.187 7.984 1.00 0.18 O ATOM 71 C3' DG A 3 5.192 1.139 9.868 1.00 0.24 C ATOM 72 O3' DG A 3 5.198 2.358 10.613 1.00 0.32 O ATOM 73 C2' DG A 3 3.960 0.367 10.197 1.00 0.18 C ATOM 74 C1' DG A 3 2.952 0.751 9.135 1.00 0.15 C ATOM 75 N9 DG A 3 2.074 -0.386 8.808 1.00 0.12 N ATOM 76 C8 DG A 3 2.393 -1.681 8.611 1.00 0.11 C ATOM 77 N7 DG A 3 1.439 -2.501 8.323 1.00 0.11 N ATOM 78 C5 DG A 3 0.328 -1.652 8.328 1.00 0.11 C ATOM 79 C6 DG A 3 -1.040 -1.941 8.087 1.00 0.13 C ATOM 80 O6 DG A 3 -1.558 -3.018 7.807 1.00 0.14 O ATOM 81 N1 DG A 3 -1.826 -0.803 8.199 1.00 0.15 N ATOM 82 C2 DG A 3 -1.363 0.458 8.504 1.00 0.17 C ATOM 83 N2 DG A 3 -2.279 1.419 8.587 1.00 0.21 N ATOM 84 N3 DG A 3 -0.079 0.742 8.729 1.00 0.16 N ATOM 85 C4 DG A 3 0.710 -0.352 8.627 1.00 0.13 C ATOM 0 H5' DG A 3 5.899 0.615 6.534 1.00 0.20 H new ATOM 0 H5'' DG A 3 7.064 0.702 7.841 1.00 0.20 H new ATOM 0 H4' DG A 3 5.406 2.420 8.138 1.00 0.22 H new ATOM 0 H3' DG A 3 6.112 0.611 10.119 1.00 0.24 H new ATOM 0 H2' DG A 3 4.153 -0.706 10.186 1.00 0.18 H new ATOM 0 H2'' DG A 3 3.595 0.615 11.194 1.00 0.18 H new ATOM 0 H1' DG A 3 2.296 1.549 9.483 1.00 0.15 H new ATOM 0 H8 DG A 3 3.415 -2.021 8.692 1.00 0.11 H new ATOM 0 H1 DG A 3 -2.828 -0.909 8.043 1.00 0.15 H new ATOM 0 H21 DG A 3 -1.998 2.374 8.810 1.00 0.21 H new ATOM 0 H22 DG A 3 -3.263 1.201 8.428 1.00 0.21 H new ATOM 97 P DC A 4 5.897 2.448 12.061 1.00 0.42 P ATOM 98 OP1 DC A 4 7.096 3.311 11.951 1.00 0.55 O ATOM 99 OP2 DC A 4 6.017 1.081 12.616 1.00 0.42 O ATOM 100 O5' DC A 4 4.764 3.241 12.900 1.00 0.38 O ATOM 101 C5' DC A 4 4.252 4.500 12.435 1.00 0.39 C ATOM 102 C4' DC A 4 2.727 4.606 12.575 1.00 0.31 C ATOM 103 O4' DC A 4 2.053 3.590 11.799 1.00 0.27 O ATOM 104 C3' DC A 4 2.278 4.454 14.026 1.00 0.22 C ATOM 105 O3' DC A 4 1.800 5.706 14.542 1.00 0.20 O ATOM 106 C2' DC A 4 1.172 3.420 14.002 1.00 0.16 C ATOM 107 C1' DC A 4 0.917 3.098 12.539 1.00 0.20 C ATOM 108 N1 DC A 4 0.736 1.642 12.328 1.00 0.18 N ATOM 109 C2 DC A 4 -0.526 1.178 11.968 1.00 0.16 C ATOM 110 O2 DC A 4 -1.481 1.949 11.874 1.00 0.16 O ATOM 111 N3 DC A 4 -0.675 -0.151 11.733 1.00 0.15 N ATOM 112 C4 DC A 4 0.353 -0.993 11.844 1.00 0.15 C ATOM 113 N4 DC A 4 0.177 -2.284 11.576 1.00 0.15 N ATOM 114 C5 DC A 4 1.640 -0.529 12.219 1.00 0.18 C ATOM 115 C6 DC A 4 1.790 0.786 12.451 1.00 0.19 C ATOM 0 H5' DC A 4 4.527 4.636 11.389 1.00 0.39 H new ATOM 0 H5'' DC A 4 4.722 5.308 12.996 1.00 0.39 H new ATOM 0 H4' DC A 4 2.462 5.598 12.208 1.00 0.31 H new ATOM 0 H3' DC A 4 3.099 4.146 14.674 1.00 0.22 H new ATOM 0 H2' DC A 4 1.465 2.525 14.551 1.00 0.16 H new ATOM 0 H2'' DC A 4 0.270 3.805 14.478 1.00 0.16 H new ATOM 0 H1' DC A 4 -0.004 3.572 12.199 1.00 0.20 H new ATOM 0 H41 DC A 4 0.959 -2.933 11.659 1.00 0.15 H new ATOM 0 H42 DC A 4 -0.740 -2.625 11.288 1.00 0.15 H new ATOM 0 H5 DC A 4 2.472 -1.211 12.315 1.00 0.18 H new ATOM 0 H6 DC A 4 2.758 1.170 12.739 1.00 0.19 H new ATOM 127 P DT A 5 1.751 5.992 16.128 1.00 0.12 P ATOM 128 OP1 DT A 5 1.623 7.454 16.325 1.00 0.09 O ATOM 129 OP2 DT A 5 2.857 5.251 16.775 1.00 0.18 O ATOM 130 O5' DT A 5 0.361 5.304 16.565 1.00 0.11 O ATOM 131 C5' DT A 5 -0.894 5.954 16.318 1.00 0.17 C ATOM 132 C4' DT A 5 -1.991 5.412 17.231 1.00 0.17 C ATOM 133 O4' DT A 5 -2.186 3.996 17.011 1.00 0.17 O ATOM 134 C3' DT A 5 -1.625 5.610 18.693 1.00 0.13 C ATOM 135 O3' DT A 5 -2.722 6.146 19.430 1.00 0.21 O ATOM 136 C2' DT A 5 -1.307 4.242 19.209 1.00 0.13 C ATOM 137 C1' DT A 5 -1.958 3.275 18.240 1.00 0.14 C ATOM 138 N1 DT A 5 -1.115 2.085 18.008 1.00 0.16 N ATOM 139 C2 DT A 5 -1.748 0.857 17.966 1.00 0.20 C ATOM 140 O2 DT A 5 -2.957 0.728 18.144 1.00 0.21 O ATOM 141 N3 DT A 5 -0.941 -0.228 17.714 1.00 0.23 N ATOM 142 C4 DT A 5 0.420 -0.205 17.503 1.00 0.24 C ATOM 143 O4 DT A 5 1.031 -1.249 17.287 1.00 0.28 O ATOM 144 C5 DT A 5 1.002 1.116 17.564 1.00 0.20 C ATOM 145 C7 DT A 5 2.495 1.295 17.303 1.00 0.22 C ATOM 146 C6 DT A 5 0.236 2.198 17.813 1.00 0.17 C ATOM 0 H5' DT A 5 -1.181 5.810 15.276 1.00 0.17 H new ATOM 0 H5'' DT A 5 -0.786 7.027 16.474 1.00 0.17 H new ATOM 0 H4' DT A 5 -2.904 5.959 16.997 1.00 0.17 H new ATOM 0 H3' DT A 5 -0.794 6.307 18.797 1.00 0.13 H new ATOM 0 H2' DT A 5 -0.230 4.082 19.257 1.00 0.13 H new ATOM 0 H2'' DT A 5 -1.695 4.105 20.218 1.00 0.13 H new ATOM 0 H1' DT A 5 -2.897 2.905 18.652 1.00 0.14 H new ATOM 0 H3 DT A 5 -1.396 -1.140 17.680 1.00 0.23 H new ATOM 0 H71 DT A 5 2.673 2.279 16.870 1.00 0.22 H new ATOM 0 H72 DT A 5 3.042 1.207 18.242 1.00 0.22 H new ATOM 0 H73 DT A 5 2.838 0.526 16.610 1.00 0.22 H new ATOM 0 H6 DT A 5 0.697 3.173 17.860 1.00 0.17 H new ATOM 159 P DC A 6 -2.481 7.171 20.641 1.00 0.29 P ATOM 160 OP1 DC A 6 -3.030 8.486 20.241 1.00 0.44 O ATOM 161 OP2 DC A 6 -1.071 7.059 21.080 1.00 0.31 O ATOM 162 O5' DC A 6 -3.421 6.551 21.794 1.00 0.27 O ATOM 163 C5' DC A 6 -4.810 6.296 21.560 1.00 0.27 C ATOM 164 C4' DC A 6 -5.234 4.936 22.116 1.00 0.22 C ATOM 165 O4' DC A 6 -4.584 3.858 21.404 1.00 0.18 O ATOM 166 C3' DC A 6 -4.871 4.801 23.594 1.00 0.21 C ATOM 167 O3' DC A 6 -6.049 4.763 24.409 1.00 0.22 O ATOM 168 C2' DC A 6 -4.096 3.506 23.702 1.00 0.18 C ATOM 169 C1' DC A 6 -4.202 2.834 22.342 1.00 0.16 C ATOM 170 N1 DC A 6 -2.929 2.177 21.941 1.00 0.13 N ATOM 171 C2 DC A 6 -2.998 0.859 21.498 1.00 0.12 C ATOM 172 O2 DC A 6 -4.077 0.272 21.443 1.00 0.13 O ATOM 173 N3 DC A 6 -1.846 0.243 21.127 1.00 0.10 N ATOM 174 C4 DC A 6 -0.673 0.874 21.182 1.00 0.11 C ATOM 175 N4 DC A 6 0.428 0.226 20.808 1.00 0.11 N ATOM 176 C5 DC A 6 -0.587 2.225 21.635 1.00 0.12 C ATOM 177 C6 DC A 6 -1.730 2.837 22.001 1.00 0.13 C ATOM 0 H5' DC A 6 -5.012 6.331 20.489 1.00 0.27 H new ATOM 0 H5'' DC A 6 -5.408 7.081 22.023 1.00 0.27 H new ATOM 0 H4' DC A 6 -6.315 4.874 21.991 1.00 0.22 H new ATOM 0 H3' DC A 6 -4.285 5.651 23.944 1.00 0.21 H new ATOM 0 H2' DC A 6 -3.055 3.696 23.962 1.00 0.18 H new ATOM 0 H2'' DC A 6 -4.509 2.869 24.484 1.00 0.18 H new ATOM 0 HO3' DC A 6 -5.793 4.675 25.351 1.00 0.22 H new ATOM 0 H1' DC A 6 -4.943 2.035 22.372 1.00 0.16 H new ATOM 0 H41 DC A 6 1.333 0.695 20.844 1.00 0.11 H new ATOM 0 H42 DC A 6 0.367 -0.740 20.485 1.00 0.11 H new ATOM 0 H5 DC A 6 0.362 2.739 21.683 1.00 0.12 H new ATOM 0 H6 DC A 6 -1.701 3.860 22.346 1.00 0.13 H new TER 190 DC A 6 ATOM 191 O5' DG B 7 -1.730 -10.073 20.921 1.00 0.19 O ATOM 192 C5' DG B 7 -3.100 -10.432 21.118 1.00 0.22 C ATOM 193 C4' DG B 7 -4.030 -9.617 20.222 1.00 0.20 C ATOM 194 O4' DG B 7 -3.896 -8.204 20.496 1.00 0.19 O ATOM 195 C3' DG B 7 -3.708 -9.847 18.750 1.00 0.18 C ATOM 196 O3' DG B 7 -4.777 -10.543 18.094 1.00 0.20 O ATOM 197 C2' DG B 7 -3.507 -8.473 18.155 1.00 0.15 C ATOM 198 C1' DG B 7 -3.782 -7.467 19.262 1.00 0.16 C ATOM 199 N9 DG B 7 -2.711 -6.450 19.356 1.00 0.13 N ATOM 200 C8 DG B 7 -1.373 -6.567 19.147 1.00 0.12 C ATOM 201 N7 DG B 7 -0.646 -5.514 19.315 1.00 0.11 N ATOM 202 C5 DG B 7 -1.602 -4.562 19.681 1.00 0.10 C ATOM 203 C6 DG B 7 -1.442 -3.189 20.006 1.00 0.09 C ATOM 204 O6 DG B 7 -0.410 -2.522 20.025 1.00 0.09 O ATOM 205 N1 DG B 7 -2.654 -2.597 20.320 1.00 0.10 N ATOM 206 C2 DG B 7 -3.873 -3.231 20.322 1.00 0.12 C ATOM 207 N2 DG B 7 -4.920 -2.482 20.657 1.00 0.14 N ATOM 208 N3 DG B 7 -4.040 -4.520 20.017 1.00 0.13 N ATOM 209 C4 DG B 7 -2.869 -5.126 19.708 1.00 0.12 C ATOM 0 H5' DG B 7 -3.371 -10.276 22.162 1.00 0.22 H new ATOM 0 H5'' DG B 7 -3.232 -11.494 20.910 1.00 0.22 H new ATOM 0 H4' DG B 7 -5.048 -9.944 20.433 1.00 0.20 H new ATOM 0 H3' DG B 7 -2.820 -10.467 18.627 1.00 0.18 H new ATOM 0 H2' DG B 7 -2.491 -8.361 17.776 1.00 0.15 H new ATOM 0 H2'' DG B 7 -4.181 -8.314 17.313 1.00 0.15 H new ATOM 0 HO5' DG B 7 -1.163 -10.612 21.511 1.00 0.19 H new ATOM 0 H1' DG B 7 -4.703 -6.925 19.048 1.00 0.16 H new ATOM 0 H8 DG B 7 -0.934 -7.508 18.851 1.00 0.12 H new ATOM 0 H1 DG B 7 -2.641 -1.608 20.571 1.00 0.10 H new ATOM 0 H21 DG B 7 -5.854 -2.891 20.678 1.00 0.14 H new ATOM 0 H22 DG B 7 -4.789 -1.498 20.893 1.00 0.14 H new ATOM 222 P DA B 8 -4.671 -10.962 16.538 1.00 0.20 P ATOM 223 OP1 DA B 8 -5.434 -12.215 16.343 1.00 0.24 O ATOM 224 OP2 DA B 8 -3.248 -10.894 16.129 1.00 0.20 O ATOM 225 O5' DA B 8 -5.461 -9.769 15.796 1.00 0.19 O ATOM 226 C5' DA B 8 -6.845 -9.524 16.074 1.00 0.19 C ATOM 227 C4' DA B 8 -7.238 -8.082 15.757 1.00 0.18 C ATOM 228 O4' DA B 8 -6.394 -7.157 16.481 1.00 0.17 O ATOM 229 C3' DA B 8 -7.089 -7.789 14.265 1.00 0.18 C ATOM 230 O3' DA B 8 -8.322 -7.322 13.704 1.00 0.18 O ATOM 231 C2' DA B 8 -6.039 -6.717 14.166 1.00 0.17 C ATOM 232 C1' DA B 8 -5.840 -6.186 15.574 1.00 0.16 C ATOM 233 N9 DA B 8 -4.411 -5.949 15.846 1.00 0.15 N ATOM 234 C8 DA B 8 -3.344 -6.762 15.657 1.00 0.16 C ATOM 235 N7 DA B 8 -2.172 -6.274 15.889 1.00 0.16 N ATOM 236 C5 DA B 8 -2.488 -4.972 16.290 1.00 0.14 C ATOM 237 C6 DA B 8 -1.705 -3.884 16.686 1.00 0.14 C ATOM 238 N6 DA B 8 -0.374 -3.919 16.742 1.00 0.14 N ATOM 239 N1 DA B 8 -2.346 -2.751 17.011 1.00 0.12 N ATOM 240 C2 DA B 8 -3.676 -2.682 16.954 1.00 0.12 C ATOM 241 N3 DA B 8 -4.512 -3.645 16.594 1.00 0.13 N ATOM 242 C4 DA B 8 -3.849 -4.771 16.270 1.00 0.14 C ATOM 0 H5' DA B 8 -7.048 -9.734 17.124 1.00 0.19 H new ATOM 0 H5'' DA B 8 -7.460 -10.206 15.488 1.00 0.19 H new ATOM 0 H4' DA B 8 -8.279 -7.957 16.055 1.00 0.18 H new ATOM 0 H3' DA B 8 -6.813 -8.688 13.714 1.00 0.18 H new ATOM 0 H2' DA B 8 -5.108 -7.120 13.767 1.00 0.17 H new ATOM 0 H2'' DA B 8 -6.357 -5.922 13.492 1.00 0.17 H new ATOM 0 H1' DA B 8 -6.344 -5.227 15.699 1.00 0.16 H new ATOM 0 H8 DA B 8 -3.470 -7.782 15.324 1.00 0.16 H new ATOM 0 H61 DA B 8 0.146 -3.093 17.039 1.00 0.14 H new ATOM 0 H62 DA B 8 0.125 -4.772 16.488 1.00 0.14 H new ATOM 0 H2 DA B 8 -4.121 -1.738 17.232 1.00 0.12 H new ATOM 254 P DG B 9 -8.752 -7.712 12.201 1.00 0.20 P ATOM 255 OP1 DG B 9 -9.883 -8.665 12.275 1.00 0.21 O ATOM 256 OP2 DG B 9 -7.532 -8.072 11.442 1.00 0.22 O ATOM 257 O5' DG B 9 -9.308 -6.313 11.625 1.00 0.19 O ATOM 258 C5' DG B 9 -10.229 -5.516 12.381 1.00 0.18 C ATOM 259 C4' DG B 9 -10.103 -4.030 12.044 1.00 0.17 C ATOM 260 O4' DG B 9 -8.780 -3.537 12.360 1.00 0.14 O ATOM 261 C3' DG B 9 -10.361 -3.785 10.562 1.00 0.19 C ATOM 262 O3' DG B 9 -11.514 -2.949 10.383 1.00 0.21 O ATOM 263 C2' DG B 9 -9.108 -3.126 10.033 1.00 0.17 C ATOM 264 C1' DG B 9 -8.231 -2.823 11.233 1.00 0.15 C ATOM 265 N9 DG B 9 -6.838 -3.233 10.983 1.00 0.14 N ATOM 266 C8 DG B 9 -6.346 -4.460 10.690 1.00 0.15 C ATOM 267 N7 DG B 9 -5.069 -4.578 10.555 1.00 0.15 N ATOM 268 C5 DG B 9 -4.638 -3.267 10.782 1.00 0.14 C ATOM 269 C6 DG B 9 -3.326 -2.730 10.780 1.00 0.14 C ATOM 270 O6 DG B 9 -2.266 -3.309 10.567 1.00 0.15 O ATOM 271 N1 DG B 9 -3.332 -1.374 11.063 1.00 0.14 N ATOM 272 C2 DG B 9 -4.449 -0.618 11.309 1.00 0.13 C ATOM 273 N2 DG B 9 -4.231 0.669 11.562 1.00 0.13 N ATOM 274 N3 DG B 9 -5.692 -1.106 11.310 1.00 0.13 N ATOM 275 C4 DG B 9 -5.716 -2.435 11.043 1.00 0.14 C ATOM 0 H5' DG B 9 -10.049 -5.664 13.446 1.00 0.18 H new ATOM 0 H5'' DG B 9 -11.247 -5.849 12.181 1.00 0.18 H new ATOM 0 H4' DG B 9 -10.846 -3.503 12.642 1.00 0.17 H new ATOM 0 H3' DG B 9 -10.571 -4.710 10.025 1.00 0.19 H new ATOM 0 H2' DG B 9 -8.592 -3.783 9.333 1.00 0.17 H new ATOM 0 H2'' DG B 9 -9.351 -2.212 9.492 1.00 0.17 H new ATOM 0 H1' DG B 9 -8.216 -1.751 11.431 1.00 0.15 H new ATOM 0 H8 DG B 9 -7.001 -5.311 10.573 1.00 0.15 H new ATOM 0 H1 DG B 9 -2.430 -0.898 11.091 1.00 0.14 H new ATOM 0 H21 DG B 9 -5.016 1.291 11.754 1.00 0.13 H new ATOM 0 H22 DG B 9 -3.279 1.034 11.564 1.00 0.13 H new ATOM 287 P DC B 10 -11.987 -2.478 8.915 1.00 0.24 P ATOM 288 OP1 DC B 10 -13.401 -2.048 8.998 1.00 0.29 O ATOM 289 OP2 DC B 10 -11.589 -3.518 7.940 1.00 0.30 O ATOM 290 O5' DC B 10 -11.075 -1.174 8.661 1.00 0.17 O ATOM 291 C5' DC B 10 -11.160 -0.040 9.535 1.00 0.13 C ATOM 292 C4' DC B 10 -10.114 1.021 9.195 1.00 0.08 C ATOM 293 O4' DC B 10 -8.773 0.547 9.478 1.00 0.09 O ATOM 294 C3' DC B 10 -10.176 1.385 7.718 1.00 0.09 C ATOM 295 O3' DC B 10 -10.438 2.775 7.534 1.00 0.08 O ATOM 296 C2' DC B 10 -8.824 1.049 7.159 1.00 0.10 C ATOM 297 C1' DC B 10 -7.919 0.795 8.341 1.00 0.10 C ATOM 298 N1 DC B 10 -7.017 -0.349 8.083 1.00 0.10 N ATOM 299 C2 DC B 10 -5.656 -0.170 8.294 1.00 0.11 C ATOM 300 O2 DC B 10 -5.216 0.914 8.665 1.00 0.10 O ATOM 301 N3 DC B 10 -4.828 -1.221 8.070 1.00 0.11 N ATOM 302 C4 DC B 10 -5.299 -2.399 7.661 1.00 0.12 C ATOM 303 N4 DC B 10 -4.452 -3.406 7.458 1.00 0.13 N ATOM 304 C5 DC B 10 -6.694 -2.592 7.441 1.00 0.12 C ATOM 305 C6 DC B 10 -7.514 -1.546 7.661 1.00 0.11 C ATOM 0 H5' DC B 10 -11.025 -0.366 10.566 1.00 0.13 H new ATOM 0 H5'' DC B 10 -12.156 0.397 9.467 1.00 0.13 H new ATOM 0 H4' DC B 10 -10.336 1.893 9.811 1.00 0.08 H new ATOM 0 H3' DC B 10 -10.980 0.842 7.221 1.00 0.09 H new ATOM 0 H2' DC B 10 -8.878 0.170 6.517 1.00 0.10 H new ATOM 0 H2'' DC B 10 -8.443 1.867 6.548 1.00 0.10 H new ATOM 0 H1' DC B 10 -7.276 1.655 8.528 1.00 0.10 H new ATOM 0 H41 DC B 10 -4.802 -4.312 7.145 1.00 0.13 H new ATOM 0 H42 DC B 10 -3.453 -3.272 7.615 1.00 0.13 H new ATOM 0 H5 DC B 10 -7.080 -3.544 7.109 1.00 0.12 H new ATOM 0 H6 DC B 10 -8.576 -1.657 7.501 1.00 0.11 H new ATOM 317 P DT B 11 -11.265 3.296 6.255 1.00 0.09 P ATOM 318 OP1 DT B 11 -12.560 3.840 6.721 1.00 0.12 O ATOM 319 OP2 DT B 11 -11.232 2.244 5.211 1.00 0.11 O ATOM 320 O5' DT B 11 -10.340 4.522 5.768 1.00 0.09 O ATOM 321 C5' DT B 11 -9.770 5.432 6.718 1.00 0.08 C ATOM 322 C4' DT B 11 -8.305 5.734 6.404 1.00 0.09 C ATOM 323 O4' DT B 11 -7.482 4.551 6.550 1.00 0.08 O ATOM 324 C3' DT B 11 -8.143 6.238 4.976 1.00 0.10 C ATOM 325 O3' DT B 11 -7.740 7.613 4.957 1.00 0.16 O ATOM 326 C2' DT B 11 -7.088 5.358 4.352 1.00 0.11 C ATOM 327 C1' DT B 11 -6.537 4.489 5.463 1.00 0.10 C ATOM 328 N1 DT B 11 -6.324 3.092 5.006 1.00 0.12 N ATOM 329 C2 DT B 11 -5.023 2.617 4.968 1.00 0.14 C ATOM 330 O2 DT B 11 -4.057 3.317 5.255 1.00 0.16 O ATOM 331 N3 DT B 11 -4.867 1.305 4.575 1.00 0.17 N ATOM 332 C4 DT B 11 -5.876 0.435 4.213 1.00 0.16 C ATOM 333 O4 DT B 11 -5.617 -0.719 3.888 1.00 0.19 O ATOM 334 C5 DT B 11 -7.199 1.013 4.273 1.00 0.13 C ATOM 335 C7 DT B 11 -8.408 0.174 3.860 1.00 0.13 C ATOM 336 C6 DT B 11 -7.381 2.291 4.662 1.00 0.11 C ATOM 0 H5' DT B 11 -9.848 5.008 7.719 1.00 0.08 H new ATOM 0 H5'' DT B 11 -10.341 6.361 6.720 1.00 0.08 H new ATOM 0 H4' DT B 11 -7.987 6.500 7.111 1.00 0.09 H new ATOM 0 H3' DT B 11 -9.083 6.189 4.427 1.00 0.10 H new ATOM 0 H2' DT B 11 -7.514 4.746 3.557 1.00 0.11 H new ATOM 0 H2'' DT B 11 -6.298 5.960 3.903 1.00 0.11 H new ATOM 0 H1' DT B 11 -5.560 4.850 5.784 1.00 0.10 H new ATOM 0 H3 DT B 11 -3.914 0.942 4.549 1.00 0.17 H new ATOM 0 H71 DT B 11 -9.284 0.495 4.424 1.00 0.13 H new ATOM 0 H72 DT B 11 -8.595 0.305 2.794 1.00 0.13 H new ATOM 0 H73 DT B 11 -8.209 -0.878 4.067 1.00 0.13 H new ATOM 0 H6 DT B 11 -8.383 2.692 4.703 1.00 0.11 H new ATOM 349 P DC B 12 -7.590 8.408 3.564 1.00 0.22 P ATOM 350 OP1 DC B 12 -7.727 9.855 3.841 1.00 0.30 O ATOM 351 OP2 DC B 12 -8.471 7.762 2.566 1.00 0.19 O ATOM 352 O5' DC B 12 -6.062 8.117 3.146 1.00 0.27 O ATOM 353 C5' DC B 12 -4.982 8.661 3.912 1.00 0.31 C ATOM 354 C4' DC B 12 -3.627 8.168 3.413 1.00 0.33 C ATOM 355 O4' DC B 12 -3.534 6.730 3.532 1.00 0.33 O ATOM 356 C3' DC B 12 -3.415 8.540 1.950 1.00 0.31 C ATOM 357 O3' DC B 12 -2.191 9.266 1.782 1.00 0.43 O ATOM 358 C2' DC B 12 -3.367 7.231 1.204 1.00 0.29 C ATOM 359 C1' DC B 12 -3.208 6.145 2.255 1.00 0.29 C ATOM 360 N1 DC B 12 -4.080 4.980 1.969 1.00 0.21 N ATOM 361 C2 DC B 12 -3.475 3.737 1.841 1.00 0.21 C ATOM 362 O2 DC B 12 -2.256 3.619 1.952 1.00 0.25 O ATOM 363 N3 DC B 12 -4.263 2.661 1.588 1.00 0.19 N ATOM 364 C4 DC B 12 -5.585 2.784 1.463 1.00 0.19 C ATOM 365 N4 DC B 12 -6.316 1.702 1.208 1.00 0.24 N ATOM 366 C5 DC B 12 -6.218 4.056 1.593 1.00 0.17 C ATOM 367 C6 DC B 12 -5.435 5.121 1.846 1.00 0.18 C ATOM 0 H5' DC B 12 -5.105 8.386 4.960 1.00 0.31 H new ATOM 0 H5'' DC B 12 -5.013 9.749 3.862 1.00 0.31 H new ATOM 0 H4' DC B 12 -2.863 8.645 4.027 1.00 0.33 H new ATOM 0 H3' DC B 12 -4.211 9.186 1.579 1.00 0.31 H new ATOM 0 H2' DC B 12 -4.278 7.080 0.624 1.00 0.29 H new ATOM 0 H2'' DC B 12 -2.535 7.215 0.500 1.00 0.29 H new ATOM 0 HO3' DC B 12 -2.073 9.494 0.836 1.00 0.43 H new ATOM 0 H1' DC B 12 -2.184 5.772 2.254 1.00 0.29 H new ATOM 0 H41 DC B 12 -7.328 1.782 1.110 1.00 0.24 H new ATOM 0 H42 DC B 12 -5.864 0.793 1.111 1.00 0.24 H new ATOM 0 H5 DC B 12 -7.288 4.161 1.492 1.00 0.17 H new ATOM 0 H6 DC B 12 -5.882 6.098 1.953 1.00 0.18 H new TER 380 DC B 12 HETATM 381 CO 3CO A 22 -2.457 7.823 10.184 1.00 0.13 CO HETATM 382 NA BLM B 21 -6.513 8.312 7.070 1.00 0.12 N HETATM 383 C2 BLM B 21 -4.858 7.155 8.454 1.00 0.10 C HETATM 384 C1 BLM B 21 -5.929 8.230 8.225 1.00 0.09 C HETATM 385 O1 BLM B 21 -6.228 9.011 9.106 1.00 0.13 O HETATM 386 NC BLM B 21 -3.839 6.388 10.683 1.00 0.11 N HETATM 387 C3 BLM B 21 -5.097 6.480 9.837 1.00 0.10 C HETATM 388 NB BLM B 21 -3.501 7.786 8.343 1.00 0.10 N HETATM 389 ND BLM B 21 -4.942 3.463 7.750 1.00 0.10 N HETATM 390 C5 BLM B 21 -3.972 3.942 9.932 1.00 0.12 C HETATM 391 C4 BLM B 21 -4.069 4.153 8.420 1.00 0.10 C HETATM 392 O4 BLM B 21 -3.347 4.942 7.846 1.00 0.12 O HETATM 393 C8 BLM B 21 0.259 4.465 8.910 1.00 0.15 C HETATM 394 C9 BLM B 21 0.642 5.802 8.697 1.00 0.14 C HETATM 395 C10 BLM B 21 -0.238 6.786 9.073 1.00 0.14 C HETATM 396 NG BLM B 21 -1.405 6.439 9.639 1.00 0.13 N HETATM 397 C7 BLM B 21 -1.807 5.200 9.870 1.00 0.13 C HETATM 398 NE BLM B 21 -0.976 4.166 9.499 1.00 0.15 N HETATM 399 C6 BLM B 21 -3.124 5.040 10.601 1.00 0.12 C HETATM 400 NF BLM B 21 1.037 3.477 8.564 1.00 0.18 N HETATM 401 CA BLM B 21 1.997 6.191 8.152 1.00 0.15 C HETATM 402 C12 BLM B 21 -0.108 8.164 8.938 1.00 0.14 C HETATM 403 O12 BLM B 21 0.769 8.643 8.258 1.00 0.15 O HETATM 404 NH BLM B 21 -0.965 8.924 9.551 1.00 0.13 N HETATM 405 C13 BLM B 21 -0.707 10.390 9.735 1.00 0.14 C HETATM 406 C30 BLM B 21 -0.008 10.622 11.061 1.00 0.15 C HETATM 407 O30 BLM B 21 0.406 11.721 11.376 1.00 0.19 O HETATM 408 C14 BLM B 21 -2.016 11.174 9.682 1.00 0.14 C HETATM 409 C27 BLM B 21 -2.970 10.720 10.757 1.00 0.13 C HETATM 410 OH1 BLM B 21 -2.618 10.947 8.421 1.00 0.13 O HETATM 411 NJ BLM B 21 -3.352 9.400 10.957 1.00 0.13 N HETATM 412 C28 BLM B 21 -3.672 11.446 11.670 1.00 0.13 C HETATM 413 C29 BLM B 21 -4.262 9.375 11.925 1.00 0.13 C HETATM 414 NI BLM B 21 -4.499 10.602 12.410 1.00 0.13 N HETATM 415 NK BLM B 21 0.121 9.591 11.837 1.00 0.13 N HETATM 416 C34 BLM B 21 -1.564 9.905 13.900 1.00 0.12 C HETATM 417 C36 BLM B 21 -2.641 9.141 14.649 1.00 0.12 C HETATM 418 O36 BLM B 21 -3.140 9.555 15.679 1.00 0.12 O HETATM 419 OH2 BLM B 21 0.251 9.760 15.501 1.00 0.13 O HETATM 420 C31 BLM B 21 0.789 9.725 13.148 1.00 0.13 C HETATM 421 CB BLM B 21 2.025 8.815 13.158 1.00 0.14 C HETATM 422 C33 BLM B 21 -0.195 9.304 14.232 1.00 0.12 C HETATM 423 CC BLM B 21 -1.601 11.396 14.257 1.00 0.12 C HETATM 424 NL BLM B 21 -2.990 8.008 14.124 1.00 0.10 N HETATM 425 C37 BLM B 21 -4.028 7.145 14.753 1.00 0.09 C HETATM 426 C40 BLM B 21 -4.083 5.833 13.968 1.00 0.08 C HETATM 427 O40 BLM B 21 -4.574 5.797 12.853 1.00 0.09 O HETATM 428 C38 BLM B 21 -5.402 7.828 14.706 1.00 0.09 C HETATM 429 OH3 BLM B 21 -5.350 9.091 15.350 1.00 0.10 O HETATM 430 CD BLM B 21 -6.432 6.949 15.418 1.00 0.10 C HETATM 431 NM BLM B 21 -3.558 4.773 14.530 1.00 0.10 N HETATM 432 C42 BLM B 21 -4.132 2.386 14.765 1.00 0.12 C HETATM 433 C49 BLM B 21 -1.125 -5.207 12.739 1.00 0.25 C HETATM 434 O49 BLM B 21 -0.217 -5.588 13.452 1.00 0.28 O HETATM 435 C43 BLM B 21 -3.313 1.127 14.672 1.00 0.13 C HETATM 436 C41 BLM B 21 -3.544 3.450 13.833 1.00 0.11 C HETATM 437 S43 BLM B 21 -1.999 0.994 15.025 1.00 0.15 S HETATM 438 C44 BLM B 21 -1.628 -0.296 14.786 1.00 0.16 C HETATM 439 C45 BLM B 21 -2.708 -0.955 14.285 1.00 0.15 C HETATM 440 NN BLM B 21 -3.751 -0.080 14.215 1.00 0.14 N HETATM 441 C47 BLM B 21 -3.342 -4.333 13.356 1.00 0.18 C HETATM 442 C48 BLM B 21 -1.984 -4.240 13.194 1.00 0.20 C HETATM 443 NO BLM B 21 -1.609 -2.982 13.529 1.00 0.19 N HETATM 444 C46 BLM B 21 -2.715 -2.288 13.893 1.00 0.16 C HETATM 445 S46 BLM B 21 -3.794 -3.117 13.790 1.00 0.17 S HETATM 446 NP BLM B 21 -1.288 -5.696 11.537 1.00 0.31 N HETATM 447 C50 BLM B 21 -0.358 -6.741 11.016 1.00 0.37 C HETATM 448 C51 BLM B 21 -1.103 -7.640 10.025 1.00 1.13 C HETATM 449 C52 BLM B 21 -1.000 -9.105 10.474 1.00 1.97 C HETATM 450 S53 BLM B 21 -2.423 -9.534 11.529 1.00 3.39 S HETATM 451 C55 BLM B 21 -3.960 -9.436 10.559 1.00 4.33 C HETATM 452 C54 BLM B 21 -2.513 -8.387 12.938 1.00 4.51 C HETATM 453 O59 BLM B 21 -6.552 11.057 7.902 1.00 0.19 O HETATM 454 O58 BLM B 21 -4.195 9.645 6.521 1.00 0.10 O HETATM 455 C61 BLM B 21 -5.657 13.727 7.225 1.00 0.25 C HETATM 456 O61 BLM B 21 -6.956 13.213 6.957 1.00 0.25 O HETATM 457 O56 BLM B 21 -2.362 11.051 5.515 1.00 0.20 O HETATM 458 C60 BLM B 21 -4.967 12.847 8.278 1.00 0.21 C HETATM 459 O62 BLM B 21 -3.472 13.205 8.353 1.00 0.20 O HETATM 460 C63 BLM B 21 -2.633 12.140 7.645 1.00 0.17 C HETATM 461 C57 BLM B 21 -3.270 11.831 6.299 1.00 0.18 C HETATM 462 C58 BLM B 21 -4.545 11.021 6.544 1.00 0.14 C HETATM 463 C59 BLM B 21 -5.161 11.361 7.922 1.00 0.16 C HETATM 464 C69 BLM B 21 -1.062 12.910 4.652 1.00 0.25 C HETATM 465 C68 BLM B 21 -0.475 13.476 3.352 1.00 0.34 C HETATM 466 C67 BLM B 21 -1.511 13.386 2.217 1.00 0.40 C HETATM 467 C65 BLM B 21 -2.931 13.509 2.791 1.00 0.39 C HETATM 468 O64 BLM B 21 -3.261 12.270 3.631 1.00 0.36 O HETATM 469 C64 BLM B 21 -1.999 11.738 4.320 1.00 0.28 C HETATM 470 O68 BLM B 21 0.678 12.722 2.997 1.00 0.35 O HETATM 471 O67 BLM B 21 -1.292 14.441 1.289 1.00 0.44 O HETATM 472 O69 BLM B 21 0.000 12.462 5.489 1.00 0.20 O HETATM 473 NQ BLM B 21 1.418 14.147 1.234 1.00 0.48 N HETATM 474 C70 BLM B 21 1.641 13.567 2.438 1.00 0.41 C HETATM 475 O70 BLM B 21 2.690 13.769 3.078 1.00 0.41 O HETATM 476 O66 BLM B 21 -3.538 14.689 0.769 1.00 0.51 O HETATM 477 C66 BLM B 21 -3.932 13.627 1.637 1.00 0.46 C HETATM 0 HO69 BLM B 21 0.834 12.439 4.975 1.00 0.20 H new HETATM 0 HO67 BLM B 21 -1.996 15.116 1.389 1.00 0.44 H new HETATM 0 HO66 BLM B 21 -2.685 14.463 0.342 1.00 0.51 H new HETATM 0 HO61 BLM B 21 -7.258 12.674 7.718 1.00 0.25 H new HETATM 0 HO59 BLM B 21 -6.784 10.536 8.699 1.00 0.19 H new HETATM 0 HO58 BLM B 21 -3.290 9.544 6.159 1.00 0.10 H new HETATM 0 HNQ2 BLM B 21 2.121 14.763 0.827 1.00 0.48 H new HETATM 0 HNQ1 BLM B 21 0.547 13.967 0.735 1.00 0.48 H new HETATM 0 H662 BLM B 21 -3.977 12.689 1.084 1.00 0.46 H new HETATM 0 H661 BLM B 21 -4.932 13.815 2.027 1.00 0.46 H new HETATM 0 H612 BLM B 21 -5.066 13.748 6.309 1.00 0.25 H new HETATM 0 H611 BLM B 21 -5.727 14.754 7.583 1.00 0.25 H new HETATM 0 H553 BLM B 21 -4.771 -9.908 11.113 1.00 4.33 H new HETATM 0 H552 BLM B 21 -4.208 -8.391 10.374 1.00 4.33 H new HETATM 0 H551 BLM B 21 -3.823 -9.950 9.608 1.00 4.33 H new HETATM 0 H543 BLM B 21 -3.111 -8.833 13.733 1.00 4.51 H new HETATM 0 H542 BLM B 21 -1.508 -8.186 13.309 1.00 4.51 H new HETATM 0 H541 BLM B 21 -2.975 -7.453 12.618 1.00 4.51 H new HETATM 0 H522 BLM B 21 -0.972 -9.760 9.603 1.00 1.97 H new HETATM 0 H521 BLM B 21 -0.070 -9.262 11.021 1.00 1.97 H new HETATM 0 H512 BLM B 21 -2.149 -7.341 9.964 1.00 1.13 H new HETATM 0 H511 BLM B 21 -0.680 -7.525 9.027 1.00 1.13 H new HETATM 0 H502 BLM B 21 0.496 -6.272 10.527 1.00 0.37 H new HETATM 0 H501 BLM B 21 0.035 -7.337 11.840 1.00 0.37 H new HETATM 0 HO3 BLM B 21 -4.566 9.127 15.937 1.00 0.10 H new HETATM 0 HO2 BLM B 21 0.764 9.051 15.941 1.00 0.13 H new HETATM 0 HNP BLM B 21 -2.054 -5.362 10.953 1.00 0.31 H new HETATM 0 HNM BLM B 21 -3.150 4.851 15.462 1.00 0.10 H new HETATM 0 HNL BLM B 21 -2.543 7.701 13.260 1.00 0.10 H new HETATM 0 HNK BLM B 21 -0.240 8.684 11.541 1.00 0.13 H new HETATM 0 HNI BLM B 21 -5.143 10.861 13.157 1.00 0.13 H new HETATM 0 HNC BLM B 21 -3.500 7.160 11.257 1.00 0.11 H new HETATM 0 HF2 BLM B 21 1.941 3.667 8.131 1.00 0.18 H new HETATM 0 HF1 BLM B 21 0.742 2.514 8.727 1.00 0.18 H new HETATM 0 HDC BLM B 21 -6.133 6.806 16.456 1.00 0.10 H new HETATM 0 HDB BLM B 21 -7.408 7.433 15.385 1.00 0.10 H new HETATM 0 HDA BLM B 21 -6.490 5.981 14.921 1.00 0.10 H new HETATM 0 HD2 BLM B 21 -5.545 2.797 8.233 1.00 0.10 H new HETATM 0 HD1 BLM B 21 -5.024 3.587 6.741 1.00 0.10 H new HETATM 0 HCC BLM B 21 -1.436 11.518 15.328 1.00 0.12 H new HETATM 0 HCB BLM B 21 -0.820 11.921 13.707 1.00 0.12 H new HETATM 0 HCA BLM B 21 -2.573 11.810 13.990 1.00 0.12 H new HETATM 0 HBC BLM B 21 1.717 7.781 13.001 1.00 0.14 H new HETATM 0 HBB BLM B 21 2.705 9.116 12.361 1.00 0.14 H new HETATM 0 HBA BLM B 21 2.532 8.900 14.119 1.00 0.14 H new HETATM 0 HB2 BLM B 21 -2.663 7.218 8.467 1.00 0.10 H new HETATM 0 HB1 BLM B 21 -3.417 8.783 8.143 1.00 0.10 H new HETATM 0 HAC BLM B 21 2.776 5.829 8.822 1.00 0.15 H new HETATM 0 HAB BLM B 21 2.133 5.749 7.165 1.00 0.15 H new HETATM 0 HAA BLM B 21 2.060 7.276 8.075 1.00 0.15 H new HETATM 0 HA2 BLM B 21 -6.259 7.665 6.323 1.00 0.12 H new HETATM 0 HA1 BLM B 21 -7.226 9.023 6.908 1.00 0.12 H new HETATM 0 H69 BLM B 21 -1.628 13.683 5.171 1.00 0.25 H new HETATM 0 H68 BLM B 21 -0.207 14.522 3.505 1.00 0.34 H new HETATM 0 H67 BLM B 21 -1.405 12.424 1.716 1.00 0.40 H new HETATM 0 H65 BLM B 21 -2.992 14.395 3.423 1.00 0.39 H new HETATM 0 H64 BLM B 21 -1.483 11.047 3.654 1.00 0.28 H new HETATM 0 H63 BLM B 21 -1.615 12.507 7.514 1.00 0.17 H new HETATM 0 H60 BLM B 21 -5.413 13.026 9.256 1.00 0.21 H new HETATM 0 H6 BLM B 21 -2.947 4.714 11.626 1.00 0.12 H new HETATM 0 H5X BLM B 21 -4.972 3.939 10.365 1.00 0.12 H new HETATM 0 H5E BLM B 21 -3.533 2.966 10.137 1.00 0.12 H new HETATM 0 H59 BLM B 21 -4.652 10.764 8.679 1.00 0.16 H new HETATM 0 H58 BLM B 21 -5.279 11.258 5.774 1.00 0.14 H new HETATM 0 H57 BLM B 21 -3.504 12.756 5.771 1.00 0.18 H new HETATM 0 H53 BLM B 21 -2.274 -10.746 11.974 1.00 3.39 H new HETATM 0 H47 BLM B 21 -3.952 -5.217 13.172 1.00 0.18 H new HETATM 0 H44 BLM B 21 -0.641 -0.724 14.965 1.00 0.16 H new HETATM 0 H3X BLM B 21 -5.854 7.043 10.383 1.00 0.10 H new HETATM 0 H3E BLM B 21 -5.496 5.478 9.681 1.00 0.10 H new HETATM 0 H38 BLM B 21 -5.686 7.970 13.663 1.00 0.09 H new HETATM 0 H37 BLM B 21 -3.775 6.965 15.798 1.00 0.09 H new HETATM 0 H34 BLM B 21 -1.746 9.818 12.829 1.00 0.12 H new HETATM 0 H33 BLM B 21 -0.268 8.217 14.270 1.00 0.12 H new HETATM 0 H31 BLM B 21 1.103 10.753 13.329 1.00 0.13 H new HETATM 0 H2X BLM B 21 -5.167 2.180 14.492 1.00 0.12 H new HETATM 0 H2E BLM B 21 -4.140 2.752 15.792 1.00 0.12 H new HETATM 0 H29 BLM B 21 -4.754 8.470 12.280 1.00 0.13 H new HETATM 0 H28 BLM B 21 -3.599 12.525 11.803 1.00 0.13 H new HETATM 0 H2 BLM B 21 -4.918 6.373 7.697 1.00 0.10 H new HETATM 0 H1X BLM B 21 -4.124 3.504 12.911 1.00 0.11 H new HETATM 0 H1E BLM B 21 -2.525 3.183 13.553 1.00 0.11 H new HETATM 0 H14 BLM B 21 -1.798 12.231 9.837 1.00 0.14 H new HETATM 0 H13 BLM B 21 -0.066 10.741 8.926 1.00 0.14 H new HETATM 561 O1 PEO A 23 -1.613 7.758 11.821 1.00 0.15 O HETATM 562 O2 PEO A 23 -1.676 6.541 12.502 1.00 0.12 O CONECT 381 386 388 395 396 CONECT 381 397 402 404 411 CONECT 381 561 562 CONECT 382 384 478 479 CONECT 383 384 387 388 480 CONECT 384 382 383 385 CONECT 385 384 CONECT 386 381 387 399 481 CONECT 387 383 386 482 483 CONECT 388 381 383 484 485 CONECT 389 391 486 487 CONECT 390 391 399 488 489 CONECT 391 389 390 392 CONECT 392 391 CONECT 393 394 398 400 CONECT 394 393 395 401 CONECT 395 381 394 396 402 CONECT 396 381 395 397 CONECT 397 381 396 398 399 CONECT 398 393 397 CONECT 399 386 390 397 490 CONECT 400 393 491 492 CONECT 401 394 493 494 495 CONECT 402 381 395 403 404 CONECT 403 402 CONECT 404 381 402 405 CONECT 405 404 406 408 496 CONECT 406 405 407 415 CONECT 407 406 CONECT 408 405 409 410 497 CONECT 409 408 411 412 CONECT 410 408 460 CONECT 411 381 409 413 CONECT 412 409 414 498 CONECT 413 411 414 499 CONECT 414 412 413 500 CONECT 415 406 420 501 CONECT 416 417 422 423 502 CONECT 417 416 418 424 CONECT 418 417 CONECT 419 422 503 CONECT 420 415 421 422 504 CONECT 421 420 505 506 507 CONECT 422 416 419 420 508 CONECT 423 416 509 510 511 CONECT 424 417 425 512 CONECT 425 424 426 428 513 CONECT 426 425 427 431 CONECT 427 426 CONECT 428 425 429 430 514 CONECT 429 428 515 CONECT 430 428 516 517 518 CONECT 431 426 436 519 CONECT 432 435 436 520 521 CONECT 433 434 442 446 CONECT 434 433 CONECT 435 432 437 440 CONECT 436 431 432 522 523 CONECT 437 435 438 CONECT 438 437 439 524 CONECT 439 438 440 444 CONECT 440 435 439 CONECT 441 442 445 525 CONECT 442 433 441 443 CONECT 443 442 444 CONECT 444 439 443 445 CONECT 445 441 444 CONECT 446 433 447 526 CONECT 447 446 448 527 528 CONECT 448 447 449 529 530 CONECT 449 448 450 531 532 CONECT 450 449 451 452 CONECT 451 450 533 534 535 CONECT 452 450 536 537 538 CONECT 453 463 539 CONECT 454 462 540 CONECT 455 456 458 541 542 CONECT 456 455 543 CONECT 457 461 469 CONECT 458 455 459 463 544 CONECT 459 458 460 CONECT 460 410 459 461 545 CONECT 461 457 460 462 546 CONECT 462 454 461 463 547 CONECT 463 453 458 462 548 CONECT 464 465 469 472 549 CONECT 465 464 466 470 550 CONECT 466 465 467 471 551 CONECT 467 466 468 477 552 CONECT 468 467 469 CONECT 469 457 464 468 553 CONECT 470 465 474 CONECT 471 466 554 CONECT 472 464 555 CONECT 473 474 556 557 CONECT 474 470 473 475 CONECT 475 474 CONECT 476 477 558 CONECT 477 467 476 559 560 CONECT 478 382 CONECT 479 382 CONECT 480 383 CONECT 481 386 CONECT 482 387 CONECT 483 387 CONECT 484 388 CONECT 485 388 CONECT 486 389 CONECT 487 389 CONECT 488 390 CONECT 489 390 CONECT 490 399 CONECT 491 400 CONECT 492 400 CONECT 493 401 CONECT 494 401 CONECT 495 401 CONECT 496 405 CONECT 497 408 CONECT 498 412 CONECT 499 413 CONECT 500 414 CONECT 501 415 CONECT 502 416 CONECT 503 419 CONECT 504 420 CONECT 505 421 CONECT 506 421 CONECT 507 421 CONECT 508 422 CONECT 509 423 CONECT 510 423 CONECT 511 423 CONECT 512 424 CONECT 513 425 CONECT 514 428 CONECT 515 429 CONECT 516 430 CONECT 517 430 CONECT 518 430 CONECT 519 431 CONECT 520 432 CONECT 521 432 CONECT 522 436 CONECT 523 436 CONECT 524 438 CONECT 525 441 CONECT 526 446 CONECT 527 447 CONECT 528 447 CONECT 529 448 CONECT 530 448 CONECT 531 449 CONECT 532 449 CONECT 533 451 CONECT 534 451 CONECT 535 451 CONECT 536 452 CONECT 537 452 CONECT 538 452 CONECT 539 453 CONECT 540 454 CONECT 541 455 CONECT 542 455 CONECT 543 456 CONECT 544 458 CONECT 545 460 CONECT 546 461 CONECT 547 462 CONECT 548 463 CONECT 549 464 CONECT 550 465 CONECT 551 466 CONECT 552 467 CONECT 553 469 CONECT 554 471 CONECT 555 472 CONECT 556 473 CONECT 557 473 CONECT 558 476 CONECT 559 477 CONECT 560 477 CONECT 561 381 562 CONECT 562 381 561 563 CONECT 563 562 END