HEADER DNA 02-OCT-02 1MXK TITLE NMR STRUCTURE OF HO2-CO(III)BLEOMYCIN A(2) BOUND TO TITLE 2 D(GGAAGCTTCC)(2) COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-D(*GP*GP*AP*AP*GP*CP*TP*TP*CP*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) 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 2 24-FEB-09 1MXK 1 VERSN REVDAT 1 16-OCT-02 1MXK 0 JRNL AUTH C.ZHAO,C.XIA,Q.MAO,H.FORSTERLING,E.DEROSE, JRNL AUTH 2 W.E.ANTHOLINE,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): JRNL TITL 3 STRUCTURE-REACTIVITY RELATIONSHIPS OF CO AND FE JRNL TITL 4 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 1 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: THE STRUCTURE IS BASED ON 424 REMARK 3 DISTANCE RESTRAINTS (333 INTRAMOLECULAR DNA, 66 INTRAMOLECULAR REMARK 3 BLEOMYCIN AND 25 INTERMOLECULAR). REMARK 4 REMARK 4 1MXK COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-OCT-02. REMARK 100 THE RCSB ID CODE IS RCSB017282. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.4 REMARK 210 IONIC STRENGTH : 0.1 M NACL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 2MM BLEOMYCIN/DNA COMPLEX; 20 REMARK 210 MM PHOSPHATE BUFFER; 0.1 M REMARK 210 NACL; 2MM BLEOMYCIN/DNA REMARK 210 COMPLEX; 20 MM PHOSPHATE REMARK 210 BUFFER; 0.1 M NACL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 2D TOCSY, DQF-COSY, REMARK 210 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 : SIMULATED ANNEALING, REMARK 210 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 : NULL REMARK 210 REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D REMARK 210 HOMONUCLEAR TECHNIQUES 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 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. = 2.9 DEGREES REMARK 500 DG A 1 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG A 1 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 DG A 2 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES REMARK 500 DG A 2 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG A 2 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 DA A 3 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES REMARK 500 DA A 3 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 DA A 4 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES REMARK 500 DA A 4 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES REMARK 500 DG A 5 O4' - C1' - N9 ANGL. DEV. = 4.2 DEGREES REMARK 500 DG A 5 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG A 5 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 DC A 6 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES REMARK 500 DT A 7 O4' - C1' - N1 ANGL. DEV. = 2.0 DEGREES REMARK 500 DT A 7 C6 - C5 - C7 ANGL. DEV. = -3.8 DEGREES REMARK 500 DT A 8 O4' - C1' - N1 ANGL. DEV. = 3.4 DEGREES REMARK 500 DC A 9 O4' - C1' - N1 ANGL. DEV. = 2.8 DEGREES REMARK 500 DC A 10 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES REMARK 500 DG B 11 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES REMARK 500 DG B 11 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG B 11 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 DG B 12 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES REMARK 500 DG B 12 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG B 12 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 DA B 13 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES REMARK 500 DA B 13 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES REMARK 500 DA B 14 O4' - C1' - N9 ANGL. DEV. = 3.4 DEGREES REMARK 500 DA B 14 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 DG B 15 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES REMARK 500 DG B 15 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG B 15 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 DC B 16 O4' - C1' - N1 ANGL. DEV. = 3.9 DEGREES REMARK 500 DT B 17 O4' - C1' - N1 ANGL. DEV. = 3.4 DEGREES REMARK 500 DT B 18 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES REMARK 500 DC B 19 O4' - C1' - N1 ANGL. DEV. = 4.0 DEGREES REMARK 500 DC B 20 O4' - C1' - N1 ANGL. DEV. = 2.7 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 89.7 REMARK 620 3 BLM B 21 NC 83.8 90.7 REMARK 620 4 BLM B 21 NB 90.5 177.3 86.6 REMARK 620 5 BLM B 21 NH 84.3 92.2 167.7 90.5 REMARK 620 6 BLM B 21 NJ 173.4 85.4 100.7 94.6 91.5 REMARK 620 7 PEO A 23 O2 72.8 27.3 68.1 150.7 110.9 104.2 REMARK 620 N 1 2 3 4 5 6 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 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BLM B 21 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PEO A 23 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1MTG RELATED DB: PDB REMARK 900 1MTG IS HO2-CO(III)BLEOMYCIN-A(2) BOUND TO D(GAGCTC)(2) DBREF 1MXK A 1 10 PDB 1MXK 1MXK 1 10 DBREF 1MXK B 11 20 PDB 1MXK 1MXK 11 20 SEQRES 1 A 10 DG DG DA DA DG DC DT DT DC DC SEQRES 1 B 10 DG DG DA DA DG DC DT DT DC 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 1.84 LINK CO 3CO A 22 O1 PEO A 23 1555 1555 1.84 LINK CO 3CO A 22 NC BLM B 21 1555 1555 2.06 LINK CO 3CO A 22 NB BLM B 21 1555 1555 2.15 LINK CO 3CO A 22 NH BLM B 21 1555 1555 1.93 LINK CO 3CO A 22 NJ BLM B 21 1555 1555 2.00 LINK CO 3CO A 22 O2 PEO A 23 1555 1555 2.75 SITE 1 AC1 2 PEO A 23 BLM B 21 SITE 1 AC2 12 DG A 5 DC A 6 DT A 7 3CO A 22 SITE 2 AC2 12 PEO A 23 DA B 13 DA B 14 DG B 15 SITE 3 AC2 12 DC B 16 DT B 17 DT B 18 DC B 19 SITE 1 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 ATOM 1 O5' DG A 1 4.548 -8.344 -1.384 1.00 0.66 O ATOM 2 C5' DG A 1 5.905 -8.426 -1.831 1.00 0.69 C ATOM 3 C4' DG A 1 6.731 -7.245 -1.328 1.00 0.64 C ATOM 4 O4' DG A 1 6.184 -5.996 -1.810 1.00 0.62 O ATOM 5 C3' DG A 1 6.744 -7.202 0.195 1.00 0.60 C ATOM 6 O3' DG A 1 8.078 -7.353 0.700 1.00 0.64 O ATOM 7 C2' DG A 1 6.171 -5.859 0.571 1.00 0.55 C ATOM 8 C1' DG A 1 6.020 -5.072 -0.715 1.00 0.57 C ATOM 9 N9 DG A 1 4.705 -4.409 -0.770 1.00 0.55 N ATOM 10 C8 DG A 1 3.491 -4.915 -1.100 1.00 0.57 C ATOM 11 N7 DG A 1 2.480 -4.112 -1.069 1.00 0.57 N ATOM 12 C5 DG A 1 3.081 -2.914 -0.668 1.00 0.53 C ATOM 13 C6 DG A 1 2.507 -1.634 -0.443 1.00 0.52 C ATOM 14 O6 DG A 1 1.333 -1.289 -0.552 1.00 0.54 O ATOM 15 N1 DG A 1 3.463 -0.711 -0.052 1.00 0.50 N ATOM 16 C2 DG A 1 4.806 -0.976 0.107 1.00 0.49 C ATOM 17 N2 DG A 1 5.566 0.040 0.493 1.00 0.49 N ATOM 18 N3 DG A 1 5.355 -2.171 -0.100 1.00 0.50 N ATOM 19 C4 DG A 1 4.443 -3.091 -0.483 1.00 0.52 C ATOM 20 H5' DG A 1 5.920 -8.432 -2.921 1.00 0.72 H ATOM 21 H5'' DG A 1 6.346 -9.352 -1.463 1.00 0.72 H ATOM 22 H4' DG A 1 7.755 -7.346 -1.690 1.00 0.68 H ATOM 23 H3' DG A 1 6.103 -7.994 0.589 1.00 0.61 H ATOM 24 H2' DG A 1 5.196 -5.992 1.040 1.00 0.55 H ATOM 25 H2'' DG A 1 6.845 -5.337 1.250 1.00 0.53 H ATOM 26 H1' DG A 1 6.804 -4.316 -0.766 1.00 0.56 H ATOM 27 H8 DG A 1 3.373 -5.962 -1.375 1.00 0.61 H ATOM 28 H1 DG A 1 3.125 0.225 0.121 1.00 0.50 H ATOM 29 H21 DG A 1 5.152 0.951 0.650 1.00 0.49 H ATOM 30 H22 DG A 1 6.556 -0.096 0.628 1.00 0.50 H ATOM 31 HO5' DG A 1 4.277 -7.427 -1.470 1.00 0.85 H ATOM 32 P DG A 2 8.376 -7.280 2.284 1.00 0.64 P ATOM 33 OP1 DG A 2 9.761 -7.746 2.515 1.00 0.72 O ATOM 34 OP2 DG A 2 7.252 -7.925 2.999 1.00 0.62 O ATOM 35 O5' DG A 2 8.318 -5.696 2.582 1.00 0.62 O ATOM 36 C5' DG A 2 9.391 -4.834 2.182 1.00 0.64 C ATOM 37 C4' DG A 2 9.239 -3.429 2.765 1.00 0.59 C ATOM 38 O4' DG A 2 8.042 -2.787 2.266 1.00 0.55 O ATOM 39 C3' DG A 2 9.149 -3.479 4.288 1.00 0.56 C ATOM 40 O3' DG A 2 10.216 -2.727 4.887 1.00 0.55 O ATOM 41 C2' DG A 2 7.805 -2.887 4.629 1.00 0.51 C ATOM 42 C1' DG A 2 7.291 -2.235 3.365 1.00 0.50 C ATOM 43 N9 DG A 2 5.849 -2.481 3.206 1.00 0.46 N ATOM 44 C8 DG A 2 5.198 -3.644 2.988 1.00 0.47 C ATOM 45 N7 DG A 2 3.910 -3.603 2.899 1.00 0.44 N ATOM 46 C5 DG A 2 3.658 -2.239 3.084 1.00 0.40 C ATOM 47 C6 DG A 2 2.427 -1.531 3.104 1.00 0.36 C ATOM 48 O6 DG A 2 1.289 -1.968 2.957 1.00 0.34 O ATOM 49 N1 DG A 2 2.624 -0.176 3.323 1.00 0.34 N ATOM 50 C2 DG A 2 3.848 0.431 3.501 1.00 0.36 C ATOM 51 N2 DG A 2 3.834 1.741 3.706 1.00 0.35 N ATOM 52 N3 DG A 2 5.008 -0.222 3.484 1.00 0.40 N ATOM 53 C4 DG A 2 4.844 -1.547 3.273 1.00 0.42 C ATOM 54 H5' DG A 2 9.406 -4.766 1.094 1.00 0.66 H ATOM 55 H5'' DG A 2 10.335 -5.259 2.524 1.00 0.68 H ATOM 56 H4' DG A 2 10.105 -2.832 2.482 1.00 0.60 H ATOM 57 H3' DG A 2 9.187 -4.518 4.624 1.00 0.58 H ATOM 58 H2' DG A 2 7.124 -3.679 4.942 1.00 0.50 H ATOM 59 H2'' DG A 2 7.902 -2.147 5.416 1.00 0.48 H ATOM 60 H1' DG A 2 7.468 -1.160 3.418 1.00 0.48 H ATOM 61 H8 DG A 2 5.742 -4.583 2.912 1.00 0.50 H ATOM 62 H1 DG A 2 1.788 0.390 3.350 1.00 0.32 H ATOM 63 H21 DG A 2 2.954 2.241 3.729 1.00 0.32 H ATOM 64 H22 DG A 2 4.701 2.238 3.847 1.00 0.37 H ATOM 65 P DA A 3 10.243 -2.432 6.474 1.00 0.53 P ATOM 66 OP1 DA A 3 11.612 -2.007 6.840 1.00 0.56 O ATOM 67 OP2 DA A 3 9.615 -3.575 7.174 1.00 0.54 O ATOM 68 O5' DA A 3 9.263 -1.156 6.612 1.00 0.46 O ATOM 69 C5' DA A 3 9.660 0.130 6.116 1.00 0.44 C ATOM 70 C4' DA A 3 8.680 1.233 6.521 1.00 0.39 C ATOM 71 O4' DA A 3 7.374 1.015 5.935 1.00 0.37 O ATOM 72 C3' DA A 3 8.511 1.291 8.036 1.00 0.38 C ATOM 73 O3' DA A 3 8.897 2.581 8.538 1.00 0.36 O ATOM 74 C2' DA A 3 7.048 1.020 8.286 1.00 0.35 C ATOM 75 C1' DA A 3 6.358 1.154 6.947 1.00 0.33 C ATOM 76 N9 DA A 3 5.309 0.133 6.793 1.00 0.33 N ATOM 77 C8 DA A 3 5.427 -1.209 6.693 1.00 0.36 C ATOM 78 N7 DA A 3 4.343 -1.895 6.548 1.00 0.36 N ATOM 79 C5 DA A 3 3.372 -0.888 6.553 1.00 0.32 C ATOM 80 C6 DA A 3 1.978 -0.914 6.441 1.00 0.29 C ATOM 81 N6 DA A 3 1.283 -2.039 6.283 1.00 0.31 N ATOM 82 N1 DA A 3 1.330 0.263 6.490 1.00 0.26 N ATOM 83 C2 DA A 3 2.011 1.402 6.640 1.00 0.24 C ATOM 84 N3 DA A 3 3.328 1.542 6.756 1.00 0.27 N ATOM 85 C4 DA A 3 3.953 0.349 6.704 1.00 0.30 C ATOM 86 H5' DA A 3 9.715 0.088 5.028 1.00 0.46 H ATOM 87 H5'' DA A 3 10.647 0.372 6.511 1.00 0.46 H ATOM 88 H4' DA A 3 9.065 2.192 6.173 1.00 0.39 H ATOM 89 H3' DA A 3 9.115 0.510 8.504 1.00 0.41 H ATOM 90 H2' DA A 3 6.922 0.008 8.670 1.00 0.37 H ATOM 91 H2'' DA A 3 6.640 1.737 8.989 1.00 0.32 H ATOM 92 H1' DA A 3 5.909 2.145 6.872 1.00 0.31 H ATOM 93 H8 DA A 3 6.401 -1.691 6.754 1.00 0.40 H ATOM 94 H61 DA A 3 0.274 -2.005 6.206 1.00 0.30 H ATOM 95 H62 DA A 3 1.763 -2.926 6.238 1.00 0.34 H ATOM 96 H2 DA A 3 1.421 2.319 6.671 1.00 0.22 H ATOM 97 P DA A 4 8.605 3.010 10.067 1.00 0.35 P ATOM 98 OP1 DA A 4 9.432 4.196 10.380 1.00 0.35 O ATOM 99 OP2 DA A 4 8.699 1.801 10.917 1.00 0.37 O ATOM 100 O5' DA A 4 7.058 3.469 10.013 1.00 0.31 O ATOM 101 C5' DA A 4 6.681 4.703 9.386 1.00 0.30 C ATOM 102 C4' DA A 4 5.237 5.096 9.705 1.00 0.26 C ATOM 103 O4' DA A 4 4.296 4.170 9.110 1.00 0.25 O ATOM 104 C3' DA A 4 4.995 5.110 11.210 1.00 0.27 C ATOM 105 O3' DA A 4 4.654 6.429 11.660 1.00 0.28 O ATOM 106 C2' DA A 4 3.860 4.146 11.447 1.00 0.24 C ATOM 107 C1' DA A 4 3.304 3.786 10.085 1.00 0.23 C ATOM 108 N9 DA A 4 3.011 2.345 10.005 1.00 0.23 N ATOM 109 C8 DA A 4 3.864 1.298 10.037 1.00 0.25 C ATOM 110 N7 DA A 4 3.363 0.113 9.937 1.00 0.26 N ATOM 111 C5 DA A 4 1.996 0.395 9.827 1.00 0.24 C ATOM 112 C6 DA A 4 0.868 -0.422 9.691 1.00 0.25 C ATOM 113 N6 DA A 4 0.936 -1.750 9.629 1.00 0.27 N ATOM 114 N1 DA A 4 -0.331 0.182 9.615 1.00 0.24 N ATOM 115 C2 DA A 4 -0.418 1.515 9.667 1.00 0.22 C ATOM 116 N3 DA A 4 0.584 2.382 9.793 1.00 0.21 N ATOM 117 C4 DA A 4 1.773 1.752 9.869 1.00 0.22 C ATOM 118 H5' DA A 4 6.790 4.602 8.306 1.00 0.31 H ATOM 119 H5'' DA A 4 7.346 5.494 9.736 1.00 0.31 H ATOM 120 H4' DA A 4 5.047 6.094 9.310 1.00 0.27 H ATOM 121 H3' DA A 4 5.889 4.755 11.729 1.00 0.30 H ATOM 122 H2' DA A 4 4.233 3.251 11.945 1.00 0.25 H ATOM 123 H2'' DA A 4 3.090 4.612 12.049 1.00 0.24 H ATOM 124 H1' DA A 4 2.388 4.351 9.909 1.00 0.22 H ATOM 125 H8 DA A 4 4.934 1.454 10.163 1.00 0.27 H ATOM 126 H61 DA A 4 0.091 -2.296 9.531 1.00 0.28 H ATOM 127 H62 DA A 4 1.833 -2.212 9.677 1.00 0.29 H ATOM 128 H2 DA A 4 -1.420 1.938 9.601 1.00 0.22 H ATOM 129 P DG A 5 4.250 6.708 13.198 1.00 0.31 P ATOM 130 OP1 DG A 5 4.490 8.140 13.485 1.00 0.37 O ATOM 131 OP2 DG A 5 4.887 5.672 14.044 1.00 0.35 O ATOM 132 O5' DG A 5 2.658 6.450 13.202 1.00 0.25 O ATOM 133 C5' DG A 5 1.746 7.464 12.752 1.00 0.23 C ATOM 134 C4' DG A 5 0.297 7.117 13.098 1.00 0.20 C ATOM 135 O4' DG A 5 -0.114 5.890 12.438 1.00 0.15 O ATOM 136 C3' DG A 5 0.136 6.902 14.601 1.00 0.22 C ATOM 137 O3' DG A 5 -0.978 7.631 15.127 1.00 0.24 O ATOM 138 C2' DG A 5 -0.116 5.439 14.756 1.00 0.21 C ATOM 139 C1' DG A 5 -0.658 4.987 13.422 1.00 0.16 C ATOM 140 N9 DG A 5 -0.295 3.586 13.161 1.00 0.14 N ATOM 141 C8 DG A 5 0.924 3.022 13.001 1.00 0.17 C ATOM 142 N7 DG A 5 0.975 1.742 12.845 1.00 0.18 N ATOM 143 C5 DG A 5 -0.378 1.396 12.908 1.00 0.14 C ATOM 144 C6 DG A 5 -0.997 0.125 12.808 1.00 0.15 C ATOM 145 O6 DG A 5 -0.468 -0.969 12.639 1.00 0.18 O ATOM 146 N1 DG A 5 -2.376 0.218 12.928 1.00 0.14 N ATOM 147 C2 DG A 5 -3.080 1.388 13.116 1.00 0.15 C ATOM 148 N2 DG A 5 -4.401 1.271 13.204 1.00 0.20 N ATOM 149 N3 DG A 5 -2.508 2.589 13.210 1.00 0.15 N ATOM 150 C4 DG A 5 -1.161 2.522 13.099 1.00 0.13 C ATOM 151 H5' DG A 5 1.837 7.569 11.670 1.00 0.22 H ATOM 152 H5'' DG A 5 2.007 8.411 13.224 1.00 0.28 H ATOM 153 H4' DG A 5 -0.355 7.930 12.779 1.00 0.21 H ATOM 154 H3' DG A 5 1.055 7.181 15.121 1.00 0.24 H ATOM 155 H2' DG A 5 0.817 4.921 14.979 1.00 0.22 H ATOM 156 H2'' DG A 5 -0.842 5.264 15.540 1.00 0.24 H ATOM 157 H1' DG A 5 -1.746 5.083 13.429 1.00 0.16 H ATOM 158 H8 DG A 5 1.829 3.624 13.019 1.00 0.19 H ATOM 159 H1 DG A 5 -2.880 -0.654 12.887 1.00 0.15 H ATOM 160 H21 DG A 5 -4.833 0.360 13.128 1.00 0.21 H ATOM 161 H22 DG A 5 -4.976 2.092 13.342 1.00 0.24 H ATOM 162 P DC A 6 -0.972 8.142 16.655 1.00 0.27 P ATOM 163 OP1 DC A 6 -0.838 9.617 16.655 1.00 0.31 O ATOM 164 OP2 DC A 6 -0.008 7.316 17.418 1.00 0.26 O ATOM 165 O5' DC A 6 -2.459 7.760 17.149 1.00 0.27 O ATOM 166 C5' DC A 6 -3.618 8.353 16.551 1.00 0.28 C ATOM 167 C4' DC A 6 -4.852 7.464 16.711 1.00 0.29 C ATOM 168 O4' DC A 6 -4.728 6.256 15.921 1.00 0.28 O ATOM 169 C3' DC A 6 -5.041 7.060 18.168 1.00 0.30 C ATOM 170 O3' DC A 6 -6.301 7.522 18.668 1.00 0.32 O ATOM 171 C2' DC A 6 -4.973 5.553 18.184 1.00 0.29 C ATOM 172 C1' DC A 6 -5.003 5.097 16.737 1.00 0.27 C ATOM 173 N1 DC A 6 -4.001 4.032 16.502 1.00 0.26 N ATOM 174 C2 DC A 6 -4.461 2.765 16.159 1.00 0.26 C ATOM 175 O2 DC A 6 -5.664 2.557 16.022 1.00 0.27 O ATOM 176 N3 DC A 6 -3.543 1.776 15.967 1.00 0.25 N ATOM 177 C4 DC A 6 -2.233 2.018 16.099 1.00 0.25 C ATOM 178 N4 DC A 6 -1.359 1.035 15.891 1.00 0.25 N ATOM 179 C5 DC A 6 -1.758 3.315 16.448 1.00 0.25 C ATOM 180 C6 DC A 6 -2.669 4.287 16.639 1.00 0.26 C ATOM 181 H5' DC A 6 -3.432 8.515 15.489 1.00 0.29 H ATOM 182 H5'' DC A 6 -3.810 9.314 17.029 1.00 0.30 H ATOM 183 H4' DC A 6 -5.732 8.014 16.379 1.00 0.30 H ATOM 184 H3' DC A 6 -4.228 7.472 18.772 1.00 0.30 H ATOM 185 H2' DC A 6 -4.045 5.234 18.643 1.00 0.29 H ATOM 186 H2'' DC A 6 -5.818 5.142 18.733 1.00 0.31 H ATOM 187 H1' DC A 6 -5.997 4.717 16.499 1.00 0.27 H ATOM 188 H41 DC A 6 -1.685 0.111 15.630 1.00 0.25 H ATOM 189 H42 DC A 6 -0.367 1.214 15.983 1.00 0.25 H ATOM 190 H5 DC A 6 -0.693 3.512 16.565 1.00 0.25 H ATOM 191 H6 DC A 6 -2.335 5.290 16.902 1.00 0.26 H ATOM 192 P DT A 7 -6.523 7.774 20.244 1.00 0.36 P ATOM 193 OP1 DT A 7 -7.815 8.474 20.419 1.00 0.41 O ATOM 194 OP2 DT A 7 -5.284 8.357 20.806 1.00 0.36 O ATOM 195 O5' DT A 7 -6.682 6.279 20.821 1.00 0.39 O ATOM 196 C5' DT A 7 -7.918 5.568 20.679 1.00 0.44 C ATOM 197 C4' DT A 7 -7.972 4.340 21.586 1.00 0.46 C ATOM 198 O4' DT A 7 -6.888 3.434 21.283 1.00 0.43 O ATOM 199 C3' DT A 7 -7.863 4.740 23.051 1.00 0.47 C ATOM 200 O3' DT A 7 -8.974 4.222 23.796 1.00 0.52 O ATOM 201 C2' DT A 7 -6.556 4.151 23.535 1.00 0.44 C ATOM 202 C1' DT A 7 -6.108 3.166 22.466 1.00 0.42 C ATOM 203 N1 DT A 7 -4.661 3.282 22.165 1.00 0.37 N ATOM 204 C2 DT A 7 -3.927 2.109 22.100 1.00 0.37 C ATOM 205 O2 DT A 7 -4.418 1.012 22.349 1.00 0.40 O ATOM 206 N3 DT A 7 -2.600 2.240 21.746 1.00 0.35 N ATOM 207 C4 DT A 7 -1.947 3.420 21.454 1.00 0.34 C ATOM 208 O4 DT A 7 -0.757 3.414 21.146 1.00 0.35 O ATOM 209 C5 DT A 7 -2.786 4.594 21.548 1.00 0.33 C ATOM 210 C7 DT A 7 -2.211 5.965 21.205 1.00 0.34 C ATOM 211 C6 DT A 7 -4.084 4.496 21.896 1.00 0.35 C ATOM 212 H5' DT A 7 -8.027 5.248 19.643 1.00 0.46 H ATOM 213 H5'' DT A 7 -8.743 6.233 20.935 1.00 0.46 H ATOM 214 H4' DT A 7 -8.919 3.824 21.428 1.00 0.51 H ATOM 215 H3' DT A 7 -7.836 5.830 23.137 1.00 0.46 H ATOM 216 H2' DT A 7 -5.817 4.942 23.651 1.00 0.41 H ATOM 217 H2'' DT A 7 -6.702 3.634 24.483 1.00 0.48 H ATOM 218 H1' DT A 7 -6.320 2.153 22.808 1.00 0.45 H ATOM 219 H3 DT A 7 -2.056 1.393 21.691 1.00 0.36 H ATOM 220 H71 DT A 7 -1.158 5.863 20.945 1.00 0.35 H ATOM 221 H72 DT A 7 -2.755 6.383 20.357 1.00 0.34 H ATOM 222 H73 DT A 7 -2.312 6.627 22.064 1.00 0.34 H ATOM 223 H6 DT A 7 -4.678 5.403 21.984 1.00 0.35 H ATOM 224 P DT A 8 -9.077 4.443 25.388 1.00 0.50 P ATOM 225 OP1 DT A 8 -10.498 4.325 25.786 1.00 0.58 O ATOM 226 OP2 DT A 8 -8.311 5.660 25.742 1.00 0.47 O ATOM 227 O5' DT A 8 -8.281 3.164 25.968 1.00 0.44 O ATOM 228 C5' DT A 8 -8.878 1.861 25.939 1.00 0.51 C ATOM 229 C4' DT A 8 -7.986 0.802 26.588 1.00 0.55 C ATOM 230 O4' DT A 8 -6.769 0.599 25.830 1.00 0.57 O ATOM 231 C3' DT A 8 -7.588 1.208 28.006 1.00 0.51 C ATOM 232 O3' DT A 8 -8.087 0.257 28.963 1.00 0.67 O ATOM 233 C2' DT A 8 -6.078 1.242 27.995 1.00 0.46 C ATOM 234 C1' DT A 8 -5.662 0.501 26.742 1.00 0.52 C ATOM 235 N1 DT A 8 -4.421 1.057 26.159 1.00 0.47 N ATOM 236 C2 DT A 8 -3.398 0.167 25.885 1.00 0.51 C ATOM 237 O2 DT A 8 -3.491 -1.035 26.119 1.00 0.56 O ATOM 238 N3 DT A 8 -2.254 0.706 25.339 1.00 0.52 N ATOM 239 C4 DT A 8 -2.039 2.036 25.045 1.00 0.51 C ATOM 240 O4 DT A 8 -0.973 2.399 24.554 1.00 0.57 O ATOM 241 C5 DT A 8 -3.158 2.898 25.365 1.00 0.45 C ATOM 242 C7 DT A 8 -3.048 4.400 25.111 1.00 0.46 C ATOM 243 C6 DT A 8 -4.291 2.396 25.898 1.00 0.43 C ATOM 244 H5' DT A 8 -9.065 1.579 24.903 1.00 0.59 H ATOM 245 H5'' DT A 8 -9.829 1.897 26.473 1.00 0.52 H ATOM 246 H4' DT A 8 -8.533 -0.139 26.634 1.00 0.66 H ATOM 247 H3' DT A 8 -7.976 2.206 28.227 1.00 0.47 H ATOM 248 H2' DT A 8 -5.737 2.277 27.948 1.00 0.39 H ATOM 249 H2'' DT A 8 -5.673 0.750 28.878 1.00 0.53 H ATOM 250 H1' DT A 8 -5.501 -0.549 26.991 1.00 0.63 H ATOM 251 H3 DT A 8 -1.500 0.065 25.135 1.00 0.57 H ATOM 252 H71 DT A 8 -2.096 4.620 24.627 1.00 0.92 H ATOM 253 H72 DT A 8 -3.865 4.721 24.467 1.00 0.81 H ATOM 254 H73 DT A 8 -3.104 4.934 26.060 1.00 0.91 H ATOM 255 H6 DT A 8 -5.119 3.068 26.123 1.00 0.41 H ATOM 256 P DC A 9 -7.566 0.240 30.492 1.00 0.77 P ATOM 257 OP1 DC A 9 -8.604 -0.409 31.325 1.00 0.93 O ATOM 258 OP2 DC A 9 -7.088 1.597 30.839 1.00 0.69 O ATOM 259 O5' DC A 9 -6.289 -0.745 30.420 1.00 0.83 O ATOM 260 C5' DC A 9 -6.454 -2.131 30.087 1.00 0.97 C ATOM 261 C4' DC A 9 -5.129 -2.894 30.123 1.00 1.01 C ATOM 262 O4' DC A 9 -4.176 -2.314 29.200 1.00 0.89 O ATOM 263 C3' DC A 9 -4.511 -2.865 31.518 1.00 1.07 C ATOM 264 O3' DC A 9 -4.253 -4.204 31.982 1.00 1.23 O ATOM 265 C2' DC A 9 -3.233 -2.081 31.369 1.00 0.96 C ATOM 266 C1' DC A 9 -2.938 -2.039 29.883 1.00 0.85 C ATOM 267 N1 DC A 9 -2.387 -0.729 29.478 1.00 0.67 N ATOM 268 C2 DC A 9 -1.158 -0.724 28.837 1.00 0.56 C ATOM 269 O2 DC A 9 -0.555 -1.776 28.653 1.00 0.61 O ATOM 270 N3 DC A 9 -0.645 0.466 28.429 1.00 0.44 N ATOM 271 C4 DC A 9 -1.308 1.608 28.638 1.00 0.42 C ATOM 272 N4 DC A 9 -0.774 2.754 28.220 1.00 0.38 N ATOM 273 C5 DC A 9 -2.577 1.611 29.301 1.00 0.51 C ATOM 274 C6 DC A 9 -3.076 0.426 29.704 1.00 0.64 C ATOM 275 H5' DC A 9 -6.877 -2.205 29.085 1.00 0.96 H ATOM 276 H5'' DC A 9 -7.144 -2.587 30.797 1.00 1.08 H ATOM 277 H4' DC A 9 -5.309 -3.930 29.838 1.00 1.13 H ATOM 278 H3' DC A 9 -5.182 -2.349 32.209 1.00 1.09 H ATOM 279 H2' DC A 9 -3.374 -1.071 31.752 1.00 0.90 H ATOM 280 H2'' DC A 9 -2.422 -2.570 31.900 1.00 1.04 H ATOM 281 H1' DC A 9 -2.217 -2.821 29.642 1.00 0.92 H ATOM 282 H41 DC A 9 0.124 2.750 27.750 1.00 0.38 H ATOM 283 H42 DC A 9 -1.265 3.626 28.370 1.00 0.41 H ATOM 284 H5 DC A 9 -3.121 2.540 29.473 1.00 0.51 H ATOM 285 H6 DC A 9 -4.029 0.389 30.231 1.00 0.73 H ATOM 286 P DC A 10 -3.287 -4.499 33.245 1.00 1.34 P ATOM 287 OP1 DC A 10 -3.763 -5.730 33.911 1.00 1.52 O ATOM 288 OP2 DC A 10 -3.139 -3.249 34.026 1.00 1.29 O ATOM 289 O5' DC A 10 -1.870 -4.824 32.541 1.00 1.30 O ATOM 290 C5' DC A 10 -1.643 -6.096 31.919 1.00 1.40 C ATOM 291 C4' DC A 10 -0.196 -6.262 31.449 1.00 1.32 C ATOM 292 O4' DC A 10 0.159 -5.246 30.485 1.00 1.13 O ATOM 293 C3' DC A 10 0.782 -6.160 32.611 1.00 1.36 C ATOM 294 O3' DC A 10 1.205 -7.455 33.050 1.00 1.54 O ATOM 295 C2' DC A 10 1.940 -5.359 32.080 1.00 1.18 C ATOM 296 C1' DC A 10 1.422 -4.640 30.843 1.00 1.04 C ATOM 297 N1 DC A 10 1.251 -3.192 31.091 1.00 0.92 N ATOM 298 C2 DC A 10 2.295 -2.354 30.730 1.00 0.81 C ATOM 299 O2 DC A 10 3.325 -2.819 30.250 1.00 0.78 O ATOM 300 N3 DC A 10 2.147 -1.017 30.923 1.00 0.76 N ATOM 301 C4 DC A 10 1.026 -0.517 31.452 1.00 0.80 C ATOM 302 N4 DC A 10 0.919 0.799 31.618 1.00 0.79 N ATOM 303 C5 DC A 10 -0.054 -1.372 31.831 1.00 0.89 C ATOM 304 C6 DC A 10 0.098 -2.697 31.633 1.00 0.97 C ATOM 305 H5' DC A 10 -2.306 -6.192 31.059 1.00 1.39 H ATOM 306 H5'' DC A 10 -1.874 -6.887 32.634 1.00 1.56 H ATOM 307 H4' DC A 10 -0.088 -7.240 30.983 1.00 1.41 H ATOM 308 H3' DC A 10 0.314 -5.617 33.436 1.00 1.40 H ATOM 309 HO3' DC A 10 1.870 -7.323 33.730 1.00 1.63 H ATOM 310 H2' DC A 10 2.287 -4.643 32.827 1.00 1.17 H ATOM 311 H2'' DC A 10 2.753 -6.030 31.803 1.00 1.19 H ATOM 312 H1' DC A 10 2.129 -4.781 30.025 1.00 0.98 H ATOM 313 H41 DC A 10 1.682 1.406 31.344 1.00 0.78 H ATOM 314 H42 DC A 10 0.077 1.193 32.012 1.00 0.82 H ATOM 315 H5 DC A 10 -0.966 -0.968 32.268 1.00 0.93 H ATOM 316 H6 DC A 10 -0.714 -3.377 31.895 1.00 1.08 H TER 317 DC A 10 ATOM 318 O5' DG B 11 9.173 5.852 27.367 1.00 1.34 O ATOM 319 C5' DG B 11 10.477 5.273 27.465 1.00 1.39 C ATOM 320 C4' DG B 11 10.418 3.748 27.430 1.00 1.26 C ATOM 321 O4' DG B 11 9.626 3.241 28.530 1.00 1.18 O ATOM 322 C3' DG B 11 9.789 3.260 26.130 1.00 1.15 C ATOM 323 O3' DG B 11 10.689 2.391 25.426 1.00 1.16 O ATOM 324 C2' DG B 11 8.535 2.529 26.537 1.00 1.00 C ATOM 325 C1' DG B 11 8.616 2.339 28.037 1.00 1.01 C ATOM 326 N9 DG B 11 7.311 2.603 28.669 1.00 0.96 N ATOM 327 C8 DG B 11 6.738 3.781 29.017 1.00 1.03 C ATOM 328 N7 DG B 11 5.571 3.738 29.569 1.00 0.97 N ATOM 329 C5 DG B 11 5.322 2.362 29.597 1.00 0.85 C ATOM 330 C6 DG B 11 4.195 1.647 30.084 1.00 0.78 C ATOM 331 O6 DG B 11 3.172 2.089 30.601 1.00 0.79 O ATOM 332 N1 DG B 11 4.350 0.280 29.920 1.00 0.73 N ATOM 333 C2 DG B 11 5.448 -0.333 29.357 1.00 0.73 C ATOM 334 N2 DG B 11 5.411 -1.657 29.279 1.00 0.71 N ATOM 335 N3 DG B 11 6.510 0.327 28.897 1.00 0.78 N ATOM 336 C4 DG B 11 6.384 1.663 29.046 1.00 0.85 C ATOM 337 H5' DG B 11 10.936 5.589 28.402 1.00 1.48 H ATOM 338 H5'' DG B 11 11.087 5.626 26.633 1.00 1.46 H ATOM 339 H4' DG B 11 11.429 3.350 27.507 1.00 1.31 H ATOM 340 H3' DG B 11 9.527 4.116 25.503 1.00 1.21 H ATOM 341 H2' DG B 11 7.660 3.129 26.287 1.00 0.99 H ATOM 342 H2'' DG B 11 8.479 1.561 26.040 1.00 0.91 H ATOM 343 H1' DG B 11 8.915 1.313 28.251 1.00 0.98 H ATOM 344 H8 DG B 11 7.241 4.729 28.832 1.00 1.14 H ATOM 345 H1 DG B 11 3.586 -0.292 30.250 1.00 0.72 H ATOM 346 H21 DG B 11 4.605 -2.163 29.627 1.00 0.72 H ATOM 347 H22 DG B 11 6.187 -2.158 28.872 1.00 0.72 H ATOM 348 HO5' DG B 11 8.581 5.306 27.889 1.00 1.25 H ATOM 349 P DG B 12 10.229 1.631 24.080 1.00 1.10 P ATOM 350 OP1 DG B 12 11.425 1.012 23.465 1.00 1.20 O ATOM 351 OP2 DG B 12 9.388 2.556 23.286 1.00 1.17 O ATOM 352 O5' DG B 12 9.285 0.451 24.645 1.00 0.87 O ATOM 353 C5' DG B 12 9.856 -0.702 25.278 1.00 0.80 C ATOM 354 C4' DG B 12 8.852 -1.849 25.379 1.00 0.62 C ATOM 355 O4' DG B 12 7.758 -1.503 26.260 1.00 0.55 O ATOM 356 C3' DG B 12 8.275 -2.183 24.010 1.00 0.55 C ATOM 357 O3' DG B 12 8.604 -3.529 23.635 1.00 0.46 O ATOM 358 C2' DG B 12 6.783 -1.998 24.140 1.00 0.53 C ATOM 359 C1' DG B 12 6.496 -1.755 25.608 1.00 0.48 C ATOM 360 N9 DG B 12 5.579 -0.614 25.779 1.00 0.49 N ATOM 361 C8 DG B 12 5.753 0.684 25.444 1.00 0.60 C ATOM 362 N7 DG B 12 4.796 1.508 25.715 1.00 0.61 N ATOM 363 C5 DG B 12 3.853 0.661 26.308 1.00 0.48 C ATOM 364 C6 DG B 12 2.564 0.953 26.833 1.00 0.45 C ATOM 365 O6 DG B 12 1.982 2.033 26.880 1.00 0.51 O ATOM 366 N1 DG B 12 1.949 -0.185 27.333 1.00 0.39 N ATOM 367 C2 DG B 12 2.497 -1.449 27.331 1.00 0.41 C ATOM 368 N2 DG B 12 1.751 -2.416 27.849 1.00 0.50 N ATOM 369 N3 DG B 12 3.704 -1.734 26.842 1.00 0.41 N ATOM 370 C4 DG B 12 4.326 -0.642 26.349 1.00 0.43 C ATOM 371 H5' DG B 12 10.188 -0.431 26.281 1.00 0.89 H ATOM 372 H5'' DG B 12 10.717 -1.036 24.698 1.00 0.85 H ATOM 373 H4' DG B 12 9.358 -2.729 25.774 1.00 0.62 H ATOM 374 H3' DG B 12 8.665 -1.482 23.268 1.00 0.66 H ATOM 375 H2' DG B 12 6.466 -1.137 23.551 1.00 0.67 H ATOM 376 H2'' DG B 12 6.262 -2.889 23.804 1.00 0.52 H ATOM 377 H1' DG B 12 6.042 -2.648 26.038 1.00 0.44 H ATOM 378 H8 DG B 12 6.665 1.016 24.949 1.00 0.70 H ATOM 379 H1 DG B 12 1.027 -0.051 27.726 1.00 0.40 H ATOM 380 H21 DG B 12 0.831 -2.203 28.220 1.00 0.52 H ATOM 381 H22 DG B 12 2.099 -3.363 27.871 1.00 0.57 H ATOM 382 P DA B 13 8.005 -4.192 22.292 1.00 0.42 P ATOM 383 OP1 DA B 13 8.829 -5.372 21.949 1.00 0.52 O ATOM 384 OP2 DA B 13 7.796 -3.121 21.290 1.00 0.46 O ATOM 385 O5' DA B 13 6.556 -4.708 22.777 1.00 0.44 O ATOM 386 C5' DA B 13 6.435 -5.853 23.633 1.00 0.47 C ATOM 387 C4' DA B 13 4.980 -6.293 23.786 1.00 0.46 C ATOM 388 O4' DA B 13 4.213 -5.304 24.511 1.00 0.43 O ATOM 389 C3' DA B 13 4.334 -6.490 22.423 1.00 0.46 C ATOM 390 O3' DA B 13 3.943 -7.855 22.231 1.00 0.52 O ATOM 391 C2' DA B 13 3.137 -5.575 22.400 1.00 0.44 C ATOM 392 C1' DA B 13 3.004 -4.987 23.793 1.00 0.43 C ATOM 393 N9 DA B 13 2.801 -3.530 23.723 1.00 0.41 N ATOM 394 C8 DA B 13 3.605 -2.577 23.199 1.00 0.41 C ATOM 395 N7 DA B 13 3.194 -1.355 23.243 1.00 0.43 N ATOM 396 C5 DA B 13 1.955 -1.500 23.876 1.00 0.44 C ATOM 397 C6 DA B 13 0.966 -0.582 24.242 1.00 0.49 C ATOM 398 N6 DA B 13 1.072 0.725 24.018 1.00 0.52 N ATOM 399 N1 DA B 13 -0.133 -1.062 24.847 1.00 0.55 N ATOM 400 C2 DA B 13 -0.256 -2.371 25.082 1.00 0.55 C ATOM 401 N3 DA B 13 0.617 -3.328 24.779 1.00 0.50 N ATOM 402 C4 DA B 13 1.709 -2.821 24.173 1.00 0.44 C ATOM 403 H5' DA B 13 6.838 -5.608 24.616 1.00 0.48 H ATOM 404 H5'' DA B 13 7.010 -6.676 23.208 1.00 0.52 H ATOM 405 H4' DA B 13 4.949 -7.236 24.333 1.00 0.49 H ATOM 406 H3' DA B 13 5.035 -6.189 21.641 1.00 0.46 H ATOM 407 H2' DA B 13 3.300 -4.778 21.677 1.00 0.43 H ATOM 408 H2'' DA B 13 2.240 -6.132 22.143 1.00 0.47 H ATOM 409 H1' DA B 13 2.153 -5.445 24.298 1.00 0.47 H ATOM 410 H8 DA B 13 4.558 -2.838 22.743 1.00 0.43 H ATOM 411 H61 DA B 13 0.328 1.351 24.301 1.00 0.57 H ATOM 412 H62 DA B 13 1.898 1.095 23.569 1.00 0.51 H ATOM 413 H2 DA B 13 -1.173 -2.690 25.578 1.00 0.63 H ATOM 414 P DA B 14 3.652 -8.425 20.751 1.00 0.56 P ATOM 415 OP1 DA B 14 3.602 -9.902 20.824 1.00 0.63 O ATOM 416 OP2 DA B 14 4.584 -7.764 19.808 1.00 0.58 O ATOM 417 O5' DA B 14 2.166 -7.880 20.452 1.00 0.53 O ATOM 418 C5' DA B 14 1.022 -8.533 21.014 1.00 0.54 C ATOM 419 C4' DA B 14 -0.255 -7.729 20.786 1.00 0.52 C ATOM 420 O4' DA B 14 -0.179 -6.444 21.445 1.00 0.48 O ATOM 421 C3' DA B 14 -0.483 -7.480 19.298 1.00 0.53 C ATOM 422 O3' DA B 14 -1.631 -8.188 18.814 1.00 0.58 O ATOM 423 C2' DA B 14 -0.692 -5.995 19.164 1.00 0.49 C ATOM 424 C1' DA B 14 -0.703 -5.427 20.573 1.00 0.46 C ATOM 425 N9 DA B 14 0.094 -4.188 20.640 1.00 0.44 N ATOM 426 C8 DA B 14 1.389 -3.974 20.309 1.00 0.44 C ATOM 427 N7 DA B 14 1.832 -2.762 20.382 1.00 0.44 N ATOM 428 C5 DA B 14 0.693 -2.074 20.818 1.00 0.42 C ATOM 429 C6 DA B 14 0.446 -0.725 21.100 1.00 0.42 C ATOM 430 N6 DA B 14 1.372 0.223 20.996 1.00 0.44 N ATOM 431 N1 DA B 14 -0.795 -0.392 21.500 1.00 0.42 N ATOM 432 C2 DA B 14 -1.737 -1.328 21.622 1.00 0.42 C ATOM 433 N3 DA B 14 -1.611 -2.629 21.385 1.00 0.43 N ATOM 434 C4 DA B 14 -0.364 -2.937 20.981 1.00 0.42 C ATOM 435 H5' DA B 14 1.174 -8.661 22.086 1.00 0.54 H ATOM 436 H5'' DA B 14 0.910 -9.515 20.552 1.00 0.58 H ATOM 437 H4' DA B 14 -1.103 -8.283 21.188 1.00 0.55 H ATOM 438 H3' DA B 14 0.406 -7.774 18.736 1.00 0.55 H ATOM 439 H2' DA B 14 0.125 -5.558 18.591 1.00 0.48 H ATOM 440 H2'' DA B 14 -1.642 -5.795 18.671 1.00 0.50 H ATOM 441 H1' DA B 14 -1.732 -5.207 20.860 1.00 0.46 H ATOM 442 H8 DA B 14 2.028 -4.790 19.973 1.00 0.46 H ATOM 443 H61 DA B 14 1.138 1.182 21.211 1.00 0.45 H ATOM 444 H62 DA B 14 2.309 -0.015 20.705 1.00 0.46 H ATOM 445 H2 DA B 14 -2.718 -0.989 21.954 1.00 0.44 H ATOM 446 P DG B 15 -1.623 -8.869 17.351 1.00 0.64 P ATOM 447 OP1 DG B 15 -1.565 -10.338 17.523 1.00 0.69 O ATOM 448 OP2 DG B 15 -0.605 -8.183 16.523 1.00 0.65 O ATOM 449 O5' DG B 15 -3.076 -8.486 16.772 1.00 0.66 O ATOM 450 C5' DG B 15 -4.273 -8.851 17.468 1.00 0.71 C ATOM 451 C4' DG B 15 -5.475 -8.058 16.959 1.00 0.69 C ATOM 452 O4' DG B 15 -5.286 -6.643 17.195 1.00 0.64 O ATOM 453 C3' DG B 15 -5.668 -8.273 15.463 1.00 0.70 C ATOM 454 O3' DG B 15 -6.962 -8.823 15.185 1.00 0.76 O ATOM 455 C2' DG B 15 -5.508 -6.915 14.828 1.00 0.62 C ATOM 456 C1' DG B 15 -5.389 -5.906 15.959 1.00 0.58 C ATOM 457 N9 DG B 15 -4.211 -5.037 15.768 1.00 0.50 N ATOM 458 C8 DG B 15 -2.912 -5.376 15.574 1.00 0.49 C ATOM 459 N7 DG B 15 -2.060 -4.422 15.427 1.00 0.43 N ATOM 460 C5 DG B 15 -2.875 -3.292 15.534 1.00 0.38 C ATOM 461 C6 DG B 15 -2.535 -1.916 15.459 1.00 0.31 C ATOM 462 O6 DG B 15 -1.442 -1.410 15.244 1.00 0.27 O ATOM 463 N1 DG B 15 -3.640 -1.108 15.625 1.00 0.30 N ATOM 464 C2 DG B 15 -4.925 -1.551 15.831 1.00 0.37 C ATOM 465 N2 DG B 15 -5.848 -0.609 15.983 1.00 0.38 N ATOM 466 N3 DG B 15 -5.265 -2.841 15.897 1.00 0.43 N ATOM 467 C4 DG B 15 -4.195 -3.657 15.744 1.00 0.43 C ATOM 468 H5' DG B 15 -4.143 -8.656 18.533 1.00 0.71 H ATOM 469 H5'' DG B 15 -4.460 -9.915 17.320 1.00 0.77 H ATOM 470 H4' DG B 15 -6.370 -8.389 17.485 1.00 0.73 H ATOM 471 H3' DG B 15 -4.893 -8.945 15.088 1.00 0.72 H ATOM 472 H2' DG B 15 -4.605 -6.898 14.218 1.00 0.60 H ATOM 473 H2'' DG B 15 -6.376 -6.684 14.213 1.00 0.62 H ATOM 474 H1' DG B 15 -6.287 -5.290 15.983 1.00 0.57 H ATOM 475 H8 DG B 15 -2.598 -6.418 15.546 1.00 0.55 H ATOM 476 H1 DG B 15 -3.465 -0.118 15.593 1.00 0.27 H ATOM 477 H21 DG B 15 -5.587 0.366 15.936 1.00 0.36 H ATOM 478 H22 DG B 15 -6.808 -0.868 16.150 1.00 0.44 H ATOM 479 P DC B 16 -7.359 -9.279 13.689 1.00 0.76 P ATOM 480 OP1 DC B 16 -8.585 -10.106 13.765 1.00 0.90 O ATOM 481 OP2 DC B 16 -6.147 -9.816 13.027 1.00 0.81 O ATOM 482 O5' DC B 16 -7.735 -7.876 12.989 1.00 0.57 O ATOM 483 C5' DC B 16 -8.865 -7.119 13.442 1.00 0.55 C ATOM 484 C4' DC B 16 -8.794 -5.654 13.010 1.00 0.42 C ATOM 485 O4' DC B 16 -7.622 -4.997 13.545 1.00 0.39 O ATOM 486 C3' DC B 16 -8.740 -5.519 11.490 1.00 0.30 C ATOM 487 O3' DC B 16 -9.989 -5.032 10.974 1.00 0.33 O ATOM 488 C2' DC B 16 -7.617 -4.543 11.219 1.00 0.25 C ATOM 489 C1' DC B 16 -7.153 -4.043 12.574 1.00 0.29 C ATOM 490 N1 DC B 16 -5.681 -3.883 12.613 1.00 0.24 N ATOM 491 C2 DC B 16 -5.187 -2.603 12.824 1.00 0.22 C ATOM 492 O2 DC B 16 -5.956 -1.666 13.021 1.00 0.26 O ATOM 493 N3 DC B 16 -3.840 -2.421 12.828 1.00 0.20 N ATOM 494 C4 DC B 16 -3.008 -3.449 12.641 1.00 0.23 C ATOM 495 N4 DC B 16 -1.696 -3.232 12.679 1.00 0.26 N ATOM 496 C5 DC B 16 -3.508 -4.773 12.425 1.00 0.27 C ATOM 497 C6 DC B 16 -4.845 -4.944 12.419 1.00 0.26 C ATOM 498 H5' DC B 16 -8.906 -7.163 14.531 1.00 0.65 H ATOM 499 H5'' DC B 16 -9.774 -7.564 13.036 1.00 0.59 H ATOM 500 H4' DC B 16 -9.681 -5.137 13.375 1.00 0.50 H ATOM 501 H3' DC B 16 -8.497 -6.487 11.044 1.00 0.32 H ATOM 502 H2' DC B 16 -6.801 -5.054 10.710 1.00 0.27 H ATOM 503 H2'' DC B 16 -7.972 -3.711 10.614 1.00 0.30 H ATOM 504 H1' DC B 16 -7.622 -3.078 12.773 1.00 0.35 H ATOM 505 H41 DC B 16 -1.344 -2.292 12.843 1.00 0.24 H ATOM 506 H42 DC B 16 -1.052 -4.001 12.554 1.00 0.32 H ATOM 507 H5 DC B 16 -2.831 -5.613 12.270 1.00 0.33 H ATOM 508 H6 DC B 16 -5.261 -5.939 12.257 1.00 0.29 H ATOM 509 P DT B 17 -10.147 -4.607 9.424 1.00 0.34 P ATOM 510 OP1 DT B 17 -11.578 -4.331 9.165 1.00 0.47 O ATOM 511 OP2 DT B 17 -9.425 -5.598 8.593 1.00 0.34 O ATOM 512 O5' DT B 17 -9.341 -3.208 9.360 1.00 0.30 O ATOM 513 C5' DT B 17 -9.780 -2.076 10.122 1.00 0.31 C ATOM 514 C4' DT B 17 -8.847 -0.876 9.959 1.00 0.27 C ATOM 515 O4' DT B 17 -7.519 -1.160 10.459 1.00 0.24 O ATOM 516 C3' DT B 17 -8.711 -0.476 8.493 1.00 0.26 C ATOM 517 O3' DT B 17 -9.349 0.787 8.252 1.00 0.30 O ATOM 518 C2' DT B 17 -7.223 -0.402 8.235 1.00 0.24 C ATOM 519 C1' DT B 17 -6.550 -0.547 9.585 1.00 0.25 C ATOM 520 N1 DT B 17 -5.315 -1.358 9.484 1.00 0.29 N ATOM 521 C2 DT B 17 -4.099 -0.697 9.579 1.00 0.36 C ATOM 522 O2 DT B 17 -4.021 0.518 9.721 1.00 0.39 O ATOM 523 N3 DT B 17 -2.971 -1.484 9.495 1.00 0.44 N ATOM 524 C4 DT B 17 -2.943 -2.853 9.327 1.00 0.46 C ATOM 525 O4 DT B 17 -1.871 -3.450 9.277 1.00 0.55 O ATOM 526 C5 DT B 17 -4.254 -3.462 9.234 1.00 0.40 C ATOM 527 C7 DT B 17 -4.371 -4.972 9.031 1.00 0.46 C ATOM 528 C6 DT B 17 -5.376 -2.713 9.313 1.00 0.31 C ATOM 529 H5' DT B 17 -9.820 -2.352 11.177 1.00 0.33 H ATOM 530 H5'' DT B 17 -10.780 -1.794 9.792 1.00 0.37 H ATOM 531 H4' DT B 17 -9.257 -0.033 10.515 1.00 0.31 H ATOM 532 H3' DT B 17 -9.153 -1.249 7.859 1.00 0.28 H ATOM 533 H2' DT B 17 -6.923 -1.219 7.579 1.00 0.25 H ATOM 534 H2'' DT B 17 -6.959 0.552 7.787 1.00 0.27 H ATOM 535 H1' DT B 17 -6.304 0.446 9.969 1.00 0.30 H ATOM 536 H3 DT B 17 -2.082 -1.012 9.564 1.00 0.50 H ATOM 537 H71 DT B 17 -4.924 -5.410 9.861 1.00 0.42 H ATOM 538 H72 DT B 17 -4.898 -5.174 8.098 1.00 0.48 H ATOM 539 H73 DT B 17 -3.374 -5.412 8.988 1.00 0.55 H ATOM 540 H6 DT B 17 -6.349 -3.194 9.229 1.00 0.30 H ATOM 541 P DT B 18 -9.190 1.550 6.840 1.00 0.36 P ATOM 542 OP1 DT B 18 -10.150 2.677 6.814 1.00 0.45 O ATOM 543 OP2 DT B 18 -9.208 0.539 5.759 1.00 0.40 O ATOM 544 O5' DT B 18 -7.698 2.155 6.941 1.00 0.31 O ATOM 545 C5' DT B 18 -7.403 3.176 7.899 1.00 0.29 C ATOM 546 C4' DT B 18 -6.050 3.843 7.644 1.00 0.24 C ATOM 547 O4' DT B 18 -4.958 2.953 7.958 1.00 0.25 O ATOM 548 C3' DT B 18 -5.904 4.269 6.187 1.00 0.21 C ATOM 549 O3' DT B 18 -5.879 5.703 6.081 1.00 0.20 O ATOM 550 C2' DT B 18 -4.604 3.654 5.716 1.00 0.20 C ATOM 551 C1' DT B 18 -3.942 3.059 6.945 1.00 0.21 C ATOM 552 N1 DT B 18 -3.344 1.738 6.662 1.00 0.20 N ATOM 553 C2 DT B 18 -1.964 1.645 6.687 1.00 0.22 C ATOM 554 O2 DT B 18 -1.243 2.619 6.881 1.00 0.23 O ATOM 555 N3 DT B 18 -1.438 0.392 6.472 1.00 0.23 N ATOM 556 C4 DT B 18 -2.151 -0.764 6.236 1.00 0.24 C ATOM 557 O4 DT B 18 -1.565 -1.831 6.070 1.00 0.28 O ATOM 558 C5 DT B 18 -3.585 -0.578 6.221 1.00 0.22 C ATOM 559 C7 DT B 18 -4.497 -1.774 5.958 1.00 0.25 C ATOM 560 C6 DT B 18 -4.129 0.641 6.429 1.00 0.20 C ATOM 561 H5' DT B 18 -7.397 2.736 8.896 1.00 0.33 H ATOM 562 H5'' DT B 18 -8.184 3.929 7.852 1.00 0.31 H ATOM 563 H4' DT B 18 -5.971 4.728 8.276 1.00 0.23 H ATOM 564 H3' DT B 18 -6.731 3.862 5.601 1.00 0.23 H ATOM 565 H2' DT B 18 -4.809 2.871 4.987 1.00 0.22 H ATOM 566 H2'' DT B 18 -3.962 4.415 5.277 1.00 0.20 H ATOM 567 H1' DT B 18 -3.163 3.739 7.292 1.00 0.24 H ATOM 568 H3 DT B 18 -0.431 0.312 6.487 1.00 0.26 H ATOM 569 H71 DT B 18 -5.099 -1.584 5.070 1.00 0.60 H ATOM 570 H72 DT B 18 -3.890 -2.666 5.802 1.00 0.62 H ATOM 571 H73 DT B 18 -5.152 -1.926 6.815 1.00 0.57 H ATOM 572 H6 DT B 18 -5.212 0.755 6.407 1.00 0.21 H ATOM 573 P DC B 19 -5.656 6.438 4.662 1.00 0.19 P ATOM 574 OP1 DC B 19 -5.873 7.888 4.866 1.00 0.21 O ATOM 575 OP2 DC B 19 -6.441 5.715 3.637 1.00 0.21 O ATOM 576 O5' DC B 19 -4.087 6.196 4.379 1.00 0.22 O ATOM 577 C5' DC B 19 -3.104 6.952 5.096 1.00 0.24 C ATOM 578 C4' DC B 19 -1.676 6.535 4.750 1.00 0.24 C ATOM 579 O4' DC B 19 -1.423 5.155 5.093 1.00 0.22 O ATOM 580 C3' DC B 19 -1.388 6.685 3.260 1.00 0.28 C ATOM 581 O3' DC B 19 -0.644 7.880 2.985 1.00 0.30 O ATOM 582 C2' DC B 19 -0.595 5.460 2.892 1.00 0.27 C ATOM 583 C1' DC B 19 -0.483 4.616 4.144 1.00 0.23 C ATOM 584 N1 DC B 19 -0.747 3.195 3.840 1.00 0.24 N ATOM 585 C2 DC B 19 0.347 2.348 3.749 1.00 0.25 C ATOM 586 O2 DC B 19 1.482 2.785 3.906 1.00 0.24 O ATOM 587 N3 DC B 19 0.128 1.037 3.468 1.00 0.27 N ATOM 588 C4 DC B 19 -1.110 0.571 3.283 1.00 0.29 C ATOM 589 N4 DC B 19 -1.279 -0.723 3.011 1.00 0.33 N ATOM 590 C5 DC B 19 -2.244 1.439 3.373 1.00 0.29 C ATOM 591 C6 DC B 19 -2.015 2.739 3.652 1.00 0.27 C ATOM 592 H5' DC B 19 -3.262 6.811 6.166 1.00 0.24 H ATOM 593 H5'' DC B 19 -3.230 8.009 4.858 1.00 0.25 H ATOM 594 H4' DC B 19 -0.981 7.165 5.305 1.00 0.24 H ATOM 595 H3' DC B 19 -2.322 6.688 2.699 1.00 0.31 H ATOM 596 H2' DC B 19 -1.110 4.904 2.109 1.00 0.29 H ATOM 597 H2'' DC B 19 0.391 5.745 2.559 1.00 0.28 H ATOM 598 H1' DC B 19 0.525 4.714 4.548 1.00 0.22 H ATOM 599 H41 DC B 19 -0.472 -1.335 2.947 1.00 0.33 H ATOM 600 H42 DC B 19 -2.210 -1.093 2.869 1.00 0.35 H ATOM 601 H5 DC B 19 -3.256 1.064 3.223 1.00 0.32 H ATOM 602 H6 DC B 19 -2.847 3.435 3.713 1.00 0.28 H ATOM 603 P DC B 20 -0.191 8.237 1.478 1.00 0.34 P ATOM 604 OP1 DC B 20 0.021 9.698 1.392 1.00 0.38 O ATOM 605 OP2 DC B 20 -1.123 7.572 0.538 1.00 0.38 O ATOM 606 O5' DC B 20 1.242 7.512 1.357 1.00 0.34 O ATOM 607 C5' DC B 20 2.382 8.043 2.042 1.00 0.35 C ATOM 608 C4' DC B 20 3.601 7.136 1.900 1.00 0.38 C ATOM 609 O4' DC B 20 3.304 5.798 2.353 1.00 0.38 O ATOM 610 C3' DC B 20 4.060 7.042 0.453 1.00 0.42 C ATOM 611 O3' DC B 20 5.163 7.918 0.198 1.00 0.46 O ATOM 612 C2' DC B 20 4.452 5.602 0.258 1.00 0.44 C ATOM 613 C1' DC B 20 3.833 4.833 1.419 1.00 0.41 C ATOM 614 N1 DC B 20 2.774 3.905 0.956 1.00 0.41 N ATOM 615 C2 DC B 20 3.155 2.599 0.700 1.00 0.44 C ATOM 616 O2 DC B 20 4.327 2.259 0.836 1.00 0.46 O ATOM 617 N3 DC B 20 2.207 1.713 0.299 1.00 0.45 N ATOM 618 C4 DC B 20 0.934 2.086 0.151 1.00 0.44 C ATOM 619 N4 DC B 20 0.038 1.184 -0.244 1.00 0.47 N ATOM 620 C5 DC B 20 0.525 3.432 0.409 1.00 0.42 C ATOM 621 C6 DC B 20 1.470 4.308 0.808 1.00 0.40 C ATOM 622 H5' DC B 20 2.142 8.148 3.100 1.00 0.34 H ATOM 623 H5'' DC B 20 2.620 9.025 1.632 1.00 0.37 H ATOM 624 H4' DC B 20 4.414 7.538 2.504 1.00 0.41 H ATOM 625 H3' DC B 20 3.227 7.283 -0.212 1.00 0.41 H ATOM 626 HO3' DC B 20 5.884 7.643 0.771 1.00 1.04 H ATOM 627 H2' DC B 20 4.080 5.229 -0.698 1.00 0.46 H ATOM 628 H2'' DC B 20 5.538 5.510 0.292 1.00 0.47 H ATOM 629 H1' DC B 20 4.614 4.257 1.915 1.00 0.42 H ATOM 630 H41 DC B 20 0.330 0.231 -0.426 1.00 0.49 H ATOM 631 H42 DC B 20 -0.929 1.448 -0.362 1.00 0.47 H ATOM 632 H5 DC B 20 -0.513 3.739 0.287 1.00 0.42 H ATOM 633 H6 DC B 20 1.186 5.342 1.020 1.00 0.39 H TER 634 DC B 20 HETATM 635 CO 3CO A 22 -10.634 5.689 13.728 1.00 0.40 CO HETATM 636 NA BLM B 21 -11.506 4.102 9.120 1.00 0.88 N HETATM 637 C2 BLM B 21 -10.923 3.919 11.494 1.00 0.35 C HETATM 638 C1 BLM B 21 -11.604 3.408 10.216 1.00 0.32 C HETATM 639 O1 BLM B 21 -12.224 2.366 10.216 1.00 0.79 O HETATM 640 NC BLM B 21 -10.749 3.641 13.942 1.00 0.44 N HETATM 641 C3 BLM B 21 -11.477 3.180 12.728 1.00 0.42 C HETATM 642 NB BLM B 21 -11.181 5.377 11.668 1.00 0.33 N HETATM 643 ND BLM B 21 -7.893 0.150 14.385 1.00 0.66 N HETATM 644 C5 BLM B 21 -9.217 1.792 13.165 1.00 0.42 C HETATM 645 C4 BLM B 21 -7.903 1.090 13.494 1.00 0.50 C HETATM 646 O4 BLM B 21 -6.877 1.400 12.935 1.00 0.63 O HETATM 647 C8 BLM B 21 -6.260 4.992 12.795 1.00 0.29 C HETATM 648 C9 BLM B 21 -6.847 6.254 12.640 1.00 0.29 C HETATM 649 C10 BLM B 21 -8.182 6.407 12.912 1.00 0.31 C HETATM 650 NG BLM B 21 -8.874 5.348 13.328 1.00 0.34 N HETATM 651 C7 BLM B 21 -8.370 4.117 13.500 1.00 0.35 C HETATM 652 NE BLM B 21 -7.028 3.912 13.230 1.00 0.33 N HETATM 653 C6 BLM B 21 -9.344 3.073 14.008 1.00 0.41 C HETATM 654 NF BLM B 21 -4.993 4.830 12.516 1.00 0.30 N HETATM 655 CA BLM B 21 -6.025 7.443 12.229 1.00 0.28 C HETATM 656 C12 BLM B 21 -8.986 7.546 12.801 1.00 0.33 C HETATM 657 O12 BLM B 21 -8.607 8.521 12.197 1.00 0.34 O HETATM 658 NH BLM B 21 -10.166 7.519 13.344 1.00 0.38 N HETATM 659 C13 BLM B 21 -10.935 8.769 13.627 1.00 0.44 C HETATM 660 C30 BLM B 21 -10.776 9.128 15.100 1.00 0.51 C HETATM 661 O30 BLM B 21 -10.972 10.257 15.500 1.00 0.59 O HETATM 662 C14 BLM B 21 -12.420 8.577 13.281 1.00 0.49 C HETATM 663 C27 BLM B 21 -13.042 7.483 14.108 1.00 0.52 C HETATM 664 OH1 BLM B 21 -12.537 8.220 11.913 1.00 0.49 O HETATM 665 NJ BLM B 21 -12.477 6.226 14.304 1.00 0.49 N HETATM 666 C28 BLM B 21 -14.248 7.470 14.765 1.00 0.59 C HETATM 667 C29 BLM B 21 -13.353 5.524 15.040 1.00 0.56 C HETATM 668 NI BLM B 21 -14.445 6.231 15.350 1.00 0.62 N HETATM 669 NK BLM B 21 -10.399 8.173 15.903 1.00 0.51 N HETATM 670 C34 BLM B 21 -11.933 6.738 17.910 1.00 0.61 C HETATM 671 C36 BLM B 21 -12.110 5.232 18.150 1.00 0.62 C HETATM 672 O36 BLM B 21 -12.792 4.814 19.066 1.00 0.65 O HETATM 673 OH2 BLM B 21 -10.255 7.390 19.523 1.00 0.69 O HETATM 674 C31 BLM B 21 -10.194 8.439 17.343 1.00 0.58 C HETATM 675 CB BLM B 21 -8.738 8.875 17.530 1.00 0.61 C HETATM 676 C33 BLM B 21 -10.474 7.156 18.139 1.00 0.61 C HETATM 677 CC BLM B 21 -12.841 7.519 18.869 1.00 0.65 C HETATM 678 NL BLM B 21 -11.506 4.412 17.327 1.00 0.58 N HETATM 679 C37 BLM B 21 -11.647 2.924 17.504 1.00 0.60 C HETATM 680 C40 BLM B 21 -10.309 2.230 17.251 1.00 0.53 C HETATM 681 O40 BLM B 21 -10.178 1.414 16.356 1.00 0.80 O HETATM 682 C38 BLM B 21 -12.683 2.359 16.532 1.00 0.67 C HETATM 683 OH3 BLM B 21 -12.297 2.671 15.209 1.00 0.60 O HETATM 684 CD BLM B 21 -14.064 2.955 16.823 1.00 0.82 C HETATM 685 NM BLM B 21 -9.318 2.538 18.035 1.00 0.48 N HETATM 686 C42 BLM B 21 -7.542 1.268 19.170 1.00 0.53 C HETATM 687 C49 BLM B 21 -0.069 -1.927 17.541 1.00 0.26 C HETATM 688 O49 BLM B 21 0.827 -1.175 17.873 1.00 0.26 O HETATM 689 C43 BLM B 21 -6.059 1.058 19.125 1.00 0.47 C HETATM 690 C41 BLM B 21 -7.988 1.893 17.850 1.00 0.40 C HETATM 691 S43 BLM B 21 -5.096 2.027 19.194 1.00 0.44 S HETATM 692 C44 BLM B 21 -3.889 1.407 19.070 1.00 0.38 C HETATM 693 C45 BLM B 21 -4.126 0.076 18.931 1.00 0.37 C HETATM 694 NN BLM B 21 -5.458 -0.141 18.969 1.00 0.43 N HETATM 695 C47 BLM B 21 -2.109 -2.797 18.591 1.00 0.32 C HETATM 696 C48 BLM B 21 -1.296 -1.807 18.111 1.00 0.27 C HETATM 697 NO BLM B 21 -1.955 -0.637 18.206 1.00 0.27 N HETATM 698 C46 BLM B 21 -3.169 -0.886 18.729 1.00 0.32 C HETATM 699 S46 BLM B 21 -3.280 -2.221 18.977 1.00 0.35 S HETATM 700 NP BLM B 21 0.114 -2.831 16.620 1.00 0.29 N HETATM 701 C50 BLM B 21 1.432 -2.966 15.953 1.00 0.32 C HETATM 702 C51 BLM B 21 2.361 -3.824 16.816 1.00 0.44 C HETATM 703 C52 BLM B 21 3.523 -2.964 17.327 1.00 0.83 C HETATM 704 S53 BLM B 21 4.133 -3.628 18.908 1.00 1.84 S HETATM 705 C55 BLM B 21 5.130 -2.363 19.753 1.00 2.60 C HETATM 706 C54 BLM B 21 5.160 -5.095 18.593 1.00 2.70 C HETATM 707 O59 BLM B 21 -16.209 7.812 9.159 1.00 1.02 O HETATM 708 O58 BLM B 21 -14.024 8.475 7.690 1.00 0.73 O HETATM 709 C61 BLM B 21 -16.676 9.292 11.250 1.00 1.47 C HETATM 710 O61 BLM B 21 -17.620 8.272 10.929 1.00 1.62 O HETATM 711 O56 BLM B 21 -12.084 7.738 9.511 1.00 0.53 O HETATM 712 C60 BLM B 21 -15.254 8.711 11.216 1.00 1.06 C HETATM 713 O62 BLM B 21 -14.250 9.849 11.445 1.00 0.93 O HETATM 714 C63 BLM B 21 -12.825 9.372 11.134 1.00 0.63 C HETATM 715 C57 BLM B 21 -12.704 9.018 9.644 1.00 0.64 C HETATM 716 C58 BLM B 21 -14.101 8.972 9.019 1.00 0.80 C HETATM 717 C59 BLM B 21 -14.987 8.049 9.854 1.00 0.92 C HETATM 718 C69 BLM B 21 -10.792 8.234 7.550 1.00 0.41 C HETATM 719 C68 BLM B 21 -10.432 6.992 6.739 1.00 0.35 C HETATM 720 C67 BLM B 21 -8.949 6.674 6.965 1.00 0.23 C HETATM 721 C65 BLM B 21 -8.682 6.517 8.472 1.00 0.24 C HETATM 722 O64 BLM B 21 -10.010 6.549 9.250 1.00 0.33 O HETATM 723 C64 BLM B 21 -10.753 7.879 9.039 1.00 0.40 C HETATM 724 O68 BLM B 21 -10.686 7.226 5.356 1.00 0.37 O HETATM 725 O67 BLM B 21 -8.616 5.471 6.287 1.00 0.29 O HETATM 726 O69 BLM B 21 -9.856 9.276 7.283 1.00 0.40 O HETATM 727 NQ BLM B 21 -8.620 7.729 4.286 1.00 0.19 N HETATM 728 C70 BLM B 21 -9.770 8.154 4.859 1.00 0.29 C HETATM 729 O70 BLM B 21 -10.033 9.369 4.985 1.00 0.38 O HETATM 730 O66 BLM B 21 -6.402 7.270 8.724 1.00 0.52 O HETATM 731 C66 BLM B 21 -7.760 7.644 8.946 1.00 0.25 C HETATM 732 HA2 BLM B 21 -11.013 4.948 9.119 1.00 1.47 H HETATM 733 HA1 BLM B 21 -11.930 3.778 8.299 1.00 0.86 H HETATM 734 H2 BLM B 21 -9.850 3.755 11.422 1.00 0.35 H HETATM 735 HNC BLM B 21 -11.269 3.403 14.769 1.00 0.49 H HETATM 736 H3E BLM B 21 -11.358 2.117 12.614 1.00 0.45 H HETATM 737 H3X BLM B 21 -12.527 3.410 12.848 1.00 0.46 H HETATM 738 HB1 BLM B 21 -12.129 5.572 11.529 1.00 0.34 H HETATM 739 HB2 BLM B 21 -10.636 5.898 11.041 1.00 0.30 H HETATM 740 HD2 BLM B 21 -7.325 -0.637 14.253 1.00 0.48 H HETATM 741 HD1 BLM B 21 -8.452 0.231 15.185 1.00 1.06 H HETATM 742 H5E BLM B 21 -10.036 1.126 13.392 1.00 0.52 H HETATM 743 H5X BLM B 21 -9.234 2.040 12.115 1.00 0.35 H HETATM 744 H6 BLM B 21 -9.103 2.845 15.037 1.00 0.45 H HETATM 745 HF2 BLM B 21 -4.486 4.090 12.924 1.00 0.24 H HETATM 746 HF1 BLM B 21 -4.547 5.449 11.894 1.00 0.40 H HETATM 747 HAA BLM B 21 -6.430 8.333 12.687 1.00 0.98 H HETATM 748 HAB BLM B 21 -6.054 7.543 11.156 1.00 0.98 H HETATM 749 HAC BLM B 21 -5.006 7.302 12.554 1.00 0.98 H HETATM 750 H13 BLM B 21 -10.533 9.575 13.027 1.00 0.43 H HETATM 751 H14 BLM B 21 -12.948 9.503 13.461 1.00 0.55 H HETATM 752 H28 BLM B 21 -14.931 8.305 14.821 1.00 0.64 H HETATM 753 H29 BLM B 21 -13.202 4.507 15.350 1.00 0.58 H HETATM 754 HNI BLM B 21 -15.219 5.935 15.880 1.00 0.67 H HETATM 755 HNK BLM B 21 -10.229 7.257 15.549 1.00 0.47 H HETATM 756 H34 BLM B 21 -12.207 6.964 16.889 1.00 0.58 H HETATM 757 HO2 BLM B 21 -9.421 7.858 19.621 1.00 0.83 H HETATM 758 H31 BLM B 21 -10.864 9.224 17.668 1.00 0.61 H HETATM 759 HBA BLM B 21 -8.095 8.009 17.479 1.00 1.21 H HETATM 760 HBB BLM B 21 -8.622 9.358 18.486 1.00 0.95 H HETATM 761 HBC BLM B 21 -8.467 9.566 16.743 1.00 1.02 H HETATM 762 H33 BLM B 21 -9.815 6.371 17.798 1.00 0.59 H HETATM 763 HCB BLM B 21 -12.757 7.102 19.862 1.00 1.23 H HETATM 764 HCC BLM B 21 -13.864 7.449 18.533 1.00 1.16 H HETATM 765 HCA BLM B 21 -12.537 8.555 18.889 1.00 1.25 H HETATM 766 HNL BLM B 21 -10.952 4.778 16.591 1.00 0.56 H HETATM 767 H37 BLM B 21 -11.963 2.716 18.503 1.00 0.66 H HETATM 768 H38 BLM B 21 -12.726 1.283 16.646 1.00 0.71 H HETATM 769 HO3 BLM B 21 -12.213 1.838 14.727 1.00 0.62 H HETATM 770 HDB BLM B 21 -13.954 3.931 17.267 1.00 1.18 H HETATM 771 HDC BLM B 21 -14.598 2.309 17.505 1.00 1.35 H HETATM 772 HDA BLM B 21 -14.620 3.039 15.901 1.00 1.12 H HETATM 773 HNM BLM B 21 -9.450 3.190 18.751 1.00 0.70 H HETATM 774 H2E BLM B 21 -8.037 0.318 19.306 1.00 0.90 H HETATM 775 H2X BLM B 21 -7.793 1.926 19.986 1.00 0.83 H HETATM 776 H1E BLM B 21 -7.265 2.633 17.539 1.00 0.61 H HETATM 777 H1X BLM B 21 -8.060 1.124 17.096 1.00 0.74 H HETATM 778 H44 BLM B 21 -2.916 1.876 19.067 1.00 0.36 H HETATM 779 H47 BLM B 21 -1.872 -3.846 18.651 1.00 0.35 H HETATM 780 HNP BLM B 21 -0.629 -3.406 16.349 1.00 0.31 H HETATM 781 H501 BLM B 21 1.860 -1.984 15.816 1.00 0.33 H HETATM 782 H502 BLM B 21 1.293 -3.435 14.990 1.00 0.34 H HETATM 783 H511 BLM B 21 2.749 -4.641 16.225 1.00 0.82 H HETATM 784 H512 BLM B 21 1.808 -4.220 17.655 1.00 0.89 H HETATM 785 H521 BLM B 21 3.184 -1.949 17.473 1.00 1.47 H HETATM 786 H522 BLM B 21 4.324 -2.974 16.602 1.00 1.24 H HETATM 787 H551 BLM B 21 4.610 -1.417 19.727 1.00 2.89 H HETATM 788 H552 BLM B 21 6.083 -2.263 19.255 1.00 3.09 H HETATM 789 H553 BLM B 21 5.290 -2.657 20.779 1.00 2.89 H HETATM 790 H541 BLM B 21 5.937 -4.845 17.885 1.00 3.14 H HETATM 791 H542 BLM B 21 4.545 -5.885 18.188 1.00 2.84 H HETATM 792 H543 BLM B 21 5.609 -5.426 19.518 1.00 3.23 H HETATM 793 HO59 BLM B 21 -16.945 7.918 9.804 1.00 1.28 H HETATM 794 HO58 BLM B 21 -14.852 8.016 7.503 1.00 0.77 H HETATM 795 H611 BLM B 21 -16.752 10.094 10.530 1.00 1.53 H HETATM 796 H612 BLM B 21 -16.881 9.678 12.239 1.00 1.65 H HETATM 797 HO61 BLM B 21 -18.303 8.269 11.609 1.00 1.84 H HETATM 798 H60 BLM B 21 -15.141 7.972 11.999 1.00 1.09 H HETATM 799 H63 BLM B 21 -12.123 10.158 11.377 1.00 0.71 H HETATM 800 H57 BLM B 21 -12.109 9.770 9.144 1.00 0.67 H HETATM 801 H58 BLM B 21 -14.524 9.966 9.007 1.00 0.93 H HETATM 802 H59 BLM B 21 -14.477 7.109 10.008 1.00 0.89 H HETATM 803 H69 BLM B 21 -11.785 8.564 7.283 1.00 0.53 H HETATM 804 H68 BLM B 21 -11.033 6.159 7.074 1.00 0.43 H HETATM 805 H67 BLM B 21 -8.344 7.481 6.580 1.00 0.21 H HETATM 806 H65 BLM B 21 -8.193 5.573 8.657 1.00 0.27 H HETATM 807 H64 BLM B 21 -10.252 8.664 9.590 1.00 0.40 H HETATM 808 HO67 BLM B 21 -7.662 5.435 6.200 1.00 0.55 H HETATM 809 HO69 BLM B 21 -9.950 9.533 6.344 1.00 0.42 H HETATM 810 HNQ1 BLM B 21 -7.854 8.335 4.218 1.00 0.19 H HETATM 811 HNQ2 BLM B 21 -8.557 6.817 3.934 1.00 0.24 H HETATM 812 HO66 BLM B 21 -6.342 6.833 7.869 1.00 0.31 H HETATM 813 H661 BLM B 21 -7.918 7.817 10.001 1.00 0.27 H HETATM 814 H662 BLM B 21 -7.981 8.549 8.399 1.00 0.36 H HETATM 815 O1 PEO A 23 -10.185 5.872 15.502 1.00 0.46 O HETATM 816 O2 PEO A 23 -9.426 4.831 16.043 1.00 0.47 O HETATM 817 HO2 PEO A 23 -8.725 5.186 16.611 1.00 0.49 H CONECT 635 640 642 650 658 CONECT 635 665 815 816 CONECT 636 638 732 733 CONECT 637 638 641 642 734 CONECT 638 636 637 639 CONECT 639 638 CONECT 640 635 641 653 735 CONECT 641 637 640 736 737 CONECT 642 635 637 738 739 CONECT 643 645 740 741 CONECT 644 645 653 742 743 CONECT 645 643 644 646 CONECT 646 645 CONECT 647 648 652 654 CONECT 648 647 649 655 CONECT 649 648 650 656 CONECT 650 635 649 651 CONECT 651 650 652 653 CONECT 652 647 651 CONECT 653 640 644 651 744 CONECT 654 647 745 746 CONECT 655 648 747 748 749 CONECT 656 649 657 658 CONECT 657 656 CONECT 658 635 656 659 CONECT 659 658 660 662 750 CONECT 660 659 661 669 CONECT 661 660 CONECT 662 659 663 664 751 CONECT 663 662 665 666 CONECT 664 662 714 CONECT 665 635 663 667 CONECT 666 663 668 752 CONECT 667 665 668 753 CONECT 668 666 667 754 CONECT 669 660 674 755 CONECT 670 671 676 677 756 CONECT 671 670 672 678 CONECT 672 671 CONECT 673 676 757 CONECT 674 669 675 676 758 CONECT 675 674 759 760 761 CONECT 676 670 673 674 762 CONECT 677 670 763 764 765 CONECT 678 671 679 766 CONECT 679 678 680 682 767 CONECT 680 679 681 685 CONECT 681 680 CONECT 682 679 683 684 768 CONECT 683 682 769 CONECT 684 682 770 771 772 CONECT 685 680 690 773 CONECT 686 689 690 774 775 CONECT 687 688 696 700 CONECT 688 687 CONECT 689 686 691 694 CONECT 690 685 686 776 777 CONECT 691 689 692 CONECT 692 691 693 778 CONECT 693 692 694 698 CONECT 694 689 693 CONECT 695 696 699 779 CONECT 696 687 695 697 CONECT 697 696 698 CONECT 698 693 697 699 CONECT 699 695 698 CONECT 700 687 701 780 CONECT 701 700 702 781 782 CONECT 702 701 703 783 784 CONECT 703 702 704 785 786 CONECT 704 703 705 706 CONECT 705 704 787 788 789 CONECT 706 704 790 791 792 CONECT 707 717 793 CONECT 708 716 794 CONECT 709 710 712 795 796 CONECT 710 709 797 CONECT 711 715 723 CONECT 712 709 713 717 798 CONECT 713 712 714 CONECT 714 664 713 715 799 CONECT 715 711 714 716 800 CONECT 716 708 715 717 801 CONECT 717 707 712 716 802 CONECT 718 719 723 726 803 CONECT 719 718 720 724 804 CONECT 720 719 721 725 805 CONECT 721 720 722 731 806 CONECT 722 721 723 CONECT 723 711 718 722 807 CONECT 724 719 728 CONECT 725 720 808 CONECT 726 718 809 CONECT 727 728 810 811 CONECT 728 724 727 729 CONECT 729 728 CONECT 730 731 812 CONECT 731 721 730 813 814 CONECT 732 636 CONECT 733 636 CONECT 734 637 CONECT 735 640 CONECT 736 641 CONECT 737 641 CONECT 738 642 CONECT 739 642 CONECT 740 643 CONECT 741 643 CONECT 742 644 CONECT 743 644 CONECT 744 653 CONECT 745 654 CONECT 746 654 CONECT 747 655 CONECT 748 655 CONECT 749 655 CONECT 750 659 CONECT 751 662 CONECT 752 666 CONECT 753 667 CONECT 754 668 CONECT 755 669 CONECT 756 670 CONECT 757 673 CONECT 758 674 CONECT 759 675 CONECT 760 675 CONECT 761 675 CONECT 762 676 CONECT 763 677 CONECT 764 677 CONECT 765 677 CONECT 766 678 CONECT 767 679 CONECT 768 682 CONECT 769 683 CONECT 770 684 CONECT 771 684 CONECT 772 684 CONECT 773 685 CONECT 774 686 CONECT 775 686 CONECT 776 690 CONECT 777 690 CONECT 778 692 CONECT 779 695 CONECT 780 700 CONECT 781 701 CONECT 782 701 CONECT 783 702 CONECT 784 702 CONECT 785 703 CONECT 786 703 CONECT 787 705 CONECT 788 705 CONECT 789 705 CONECT 790 706 CONECT 791 706 CONECT 792 706 CONECT 793 707 CONECT 794 708 CONECT 795 709 CONECT 796 709 CONECT 797 710 CONECT 798 712 CONECT 799 714 CONECT 800 715 CONECT 801 716 CONECT 802 717 CONECT 803 718 CONECT 804 719 CONECT 805 720 CONECT 806 721 CONECT 807 723 CONECT 808 725 CONECT 809 726 CONECT 810 727 CONECT 811 727 CONECT 812 730 CONECT 813 731 CONECT 814 731 CONECT 815 635 816 CONECT 816 635 815 817 CONECT 817 816 MASTER 140 0 3 0 0 0 5 6 815 2 184 2 END