USER MOD reduce.3.24.130724 H: found=0, std=0, add=280, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 286 hydrogens (56 hets) HEADER DNA 31-AUG-99 1CYZ TITLE NMR STRUCTURE OF THE GAACTGGTTC/TRI-IMIDAZOLE POLYAMIDE TITLE 2 COMPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-D(*GP*AP*AP*CP*TP*GP*GP*TP*TP*C)-3'; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS T:G RECOGNIZED BY IM/IM PAIR IN THE DNA MINOR GROOVE EXPDTA SOLUTION NMR AUTHOR X.-L.YANG,R.B.HUBBARD IV,M.LEE,Z.-F.TAO,H.SUGIYAMA,A.H.- AUTHOR 2 J.WANG REVDAT 3 24-FEB-09 1CYZ 1 VERSN REVDAT 2 18-JAN-05 1CYZ 1 JRNL COMPND AUTHOR REMARK REVDAT 1 14-SEP-99 1CYZ 0 JRNL AUTH X.-L.YANG,R.B.HUBBARD IV,M.LEE,Z.-F.TAO,H.SUGIYAMA, JRNL AUTH 2 A.H.-J.WANG JRNL TITL IMIDAZOLE-IMIDAZOLE PAIR AS A MINOR GROOVE JRNL TITL 2 RECOGNITION MOTIF FOR T:G MISMATCHED BASE PAIRS JRNL REF NUCLEIC ACIDS RES. V. 27 4183 1999 JRNL REFN ISSN 0305-1048 JRNL PMID 10518609 JRNL DOI 10.1093/NAR/27.21.4183 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH X.-L.YANG,C.KAENZIG,M.LEE,A.H.-J.WANG REMARK 1 TITL BINDING OF AR-1-144, A TRI-IMIDAZOLE DNA MINOR REMARK 1 TITL 2 GROOVE BINDER, TO CCGG SEQUENCE ANALYZED BY NMR REMARK 1 TITL 3 SPECTROSCOPY REMARK 1 REF EUR.J.BIOCHEM. V. 263 646 1999 REMARK 1 REFN ISSN 0014-2956 REMARK 1 DOI 10.1046/J.1432-1327.1999.00515.X REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1CYZ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 31-AUG-99. REMARK 100 THE RCSB ID CODE IS RCSB009629. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 275 REMARK 210 PH : 7 REMARK 210 IONIC STRENGTH : NO ADDITIONAL SALT REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.5 MM DNA DUPLEX; 20 MM REMARK 210 PHOSPHATE BUFFER; 100% D2O OR REMARK 210 90% H2O, 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX 1.1 AND 98 REMARK 210 METHOD USED : NOE-RESTRAINED CONJUGATE REMARK 210 GRADIENT REFINEMENT IN X-PLOR; REMARK 210 FULL MATRIX RELAXATION REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 11 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : REFINED AVERAGE STRUCTURE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING 2D HOMONUCLEAR REMARK 210 TECHNIQUES WITH BACK NOE CALCULATION REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 DG A 1 C5' DG A 1 C4' 0.043 REMARK 500 DT A 5 C5 DT A 5 C7 0.044 REMARK 500 DG B 16 C5' DG B 16 C4' 0.044 REMARK 500 DT B 20 C5 DT B 20 C7 0.044 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DG A 1 O4' - C1' - N9 ANGL. DEV. = 6.7 DEGREES REMARK 500 DA A 2 O4' - C1' - N9 ANGL. DEV. = 3.2 DEGREES REMARK 500 DA A 3 O4' - C1' - C2' ANGL. DEV. = -5.0 DEGREES REMARK 500 DT A 5 O4' - C1' - N1 ANGL. DEV. = 4.2 DEGREES REMARK 500 DG A 7 O4' - C4' - C3' ANGL. DEV. = 4.6 DEGREES REMARK 500 DG A 7 O4' - C1' - C2' ANGL. DEV. = -5.3 DEGREES REMARK 500 DT A 8 O4' - C1' - N1 ANGL. DEV. = 9.2 DEGREES REMARK 500 DT A 9 C6 - C5 - C7 ANGL. DEV. = -4.4 DEGREES REMARK 500 DG B 16 O4' - C1' - N9 ANGL. DEV. = 6.7 DEGREES REMARK 500 DA B 17 O4' - C1' - N9 ANGL. DEV. = 3.2 DEGREES REMARK 500 DA B 18 O4' - C1' - C2' ANGL. DEV. = -5.0 DEGREES REMARK 500 DT B 20 O4' - C1' - N1 ANGL. DEV. = 4.1 DEGREES REMARK 500 DG B 22 O4' - C4' - C3' ANGL. DEV. = 4.6 DEGREES REMARK 500 DG B 22 O4' - C1' - C2' ANGL. DEV. = -5.3 DEGREES REMARK 500 DT B 23 O4' - C1' - N1 ANGL. DEV. = 9.2 DEGREES REMARK 500 DT B 24 C6 - C5 - C7 ANGL. DEV. = -4.4 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE AR1 A 12 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE AR1 B 26 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1B0S RELATED DB: PDB REMARK 900 1B0S CONTAINS THE NMR STRUCTURE OF GAACCGGTTC/TRI-IMIDAZOLE REMARK 900 POLYAMIDE COMPLEX DBREF 1CYZ A 1 10 PDB 1CYZ 1CYZ 1 10 DBREF 1CYZ B 16 25 PDB 1CYZ 1CYZ 16 25 SEQRES 1 A 10 DG DA DA DC DT DG DG DT DT DC SEQRES 1 B 10 DG DA DA DC DT DG DG DT DT DC HET AR1 A 12 63 HET AR1 B 26 63 HETNAM AR1 (2-{[4-({4-[(4-FORMYLAMINO-1-METHYL-1H-IMIDAZOLE-2- HETNAM 2 AR1 CARBONYL)-AMINO]-1-METHYL-1H-IMIDAZOLE-2-CARBONYL}- HETNAM 3 AR1 AMINO)-1-METHYL-1H-IMIDAZOLE-2-CARBONYL]-AMINO}- HETNAM 4 AR1 ETHYL)-DIMETHYL-AMMONIUM HETSYN AR1 TRI-IMIDAZOLE DNA MINOR GROOVE BINDER; AR-1-144 FORMUL 3 AR1 2(C20 H28 N11 O4 1+) SITE *** AC1 10 DC A 4 DT A 5 DG A 6 DG A 7 SITE *** AC1 10 DT A 8 DT A 9 DC B 19 DG B 21 SITE *** AC1 10 DG B 22 AR1 B 26 SITE *** AC2 10 DC A 4 DG A 6 DG A 7 AR1 A 12 SITE *** AC2 10 DC B 19 DT B 20 DG B 21 DG B 22 SITE *** AC2 10 DT B 23 DT B 24 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot -31:sc= 0.0412 USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT C7 :methyl -30:sc= 0 (180deg=-0.0714) USER MOD Single : A 9 DT C7 :methyl 150:sc= -3.31! (180deg=-3.31!) USER MOD Single : A 10 DC O3' : rot 180:sc= 0 USER MOD Single : B 16 DG O5' : rot -34:sc= 0.0387 USER MOD Single : B 20 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 23 DT C7 :methyl -30:sc= 0 (180deg=-0.0685) USER MOD Single : B 24 DT C7 :methyl 150:sc= -3.31! (180deg=-3.31!) USER MOD Single : B 25 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 0.078 19.861 20.725 1.00 0.89 O ATOM 2 C5' DG A 1 -0.210 18.503 21.038 1.00 0.79 C ATOM 3 C4' DG A 1 -0.308 17.720 19.698 1.00 0.66 C ATOM 4 O4' DG A 1 0.963 17.852 19.003 1.00 0.53 O ATOM 5 C3' DG A 1 -0.647 16.202 19.717 1.00 0.65 C ATOM 6 O3' DG A 1 -1.607 15.867 18.701 1.00 0.70 O ATOM 7 C2' DG A 1 0.738 15.590 19.465 1.00 0.57 C ATOM 8 C1' DG A 1 1.385 16.576 18.477 1.00 0.45 C ATOM 9 N9 DG A 1 2.850 16.393 18.384 1.00 0.42 N ATOM 10 C8 DG A 1 3.819 16.469 19.346 1.00 0.49 C ATOM 11 N7 DG A 1 5.026 16.210 18.914 1.00 0.55 N ATOM 12 C5 DG A 1 4.843 15.950 17.554 1.00 0.50 C ATOM 13 C6 DG A 1 5.786 15.596 16.536 1.00 0.61 C ATOM 14 O6 DG A 1 6.999 15.410 16.632 1.00 0.73 O ATOM 15 N1 DG A 1 5.169 15.447 15.298 1.00 0.63 N ATOM 16 C2 DG A 1 3.812 15.578 15.072 1.00 0.60 C ATOM 17 N2 DG A 1 3.373 15.343 13.838 1.00 0.76 N ATOM 18 N3 DG A 1 2.936 15.905 16.021 1.00 0.49 N ATOM 19 C4 DG A 1 3.518 16.075 17.229 1.00 0.43 C ATOM 0 H5' DG A 1 -1.145 18.428 21.594 1.00 0.79 H new ATOM 0 H5'' DG A 1 0.572 18.082 21.671 1.00 0.79 H new ATOM 0 H4' DG A 1 -1.174 18.180 19.221 1.00 0.66 H new ATOM 0 H3' DG A 1 -1.116 15.845 20.634 1.00 0.65 H new ATOM 0 H2' DG A 1 1.315 15.507 20.386 1.00 0.57 H new ATOM 0 H2'' DG A 1 0.664 14.588 19.043 1.00 0.57 H new ATOM 0 HO5' DG A 1 0.613 19.901 19.905 1.00 0.89 H new ATOM 0 H1' DG A 1 1.080 16.445 17.439 1.00 0.45 H new ATOM 0 H8 DG A 1 3.606 16.721 20.374 1.00 0.49 H new ATOM 0 H1 DG A 1 5.762 15.225 14.498 1.00 0.63 H new ATOM 0 H21 DG A 1 2.379 15.428 13.626 1.00 0.76 H new ATOM 0 H22 DG A 1 4.031 15.078 13.105 1.00 0.76 H new ATOM 32 P DA A 2 -1.947 14.323 18.345 1.00 0.83 P ATOM 33 OP1 DA A 2 -3.364 14.207 17.933 1.00 1.03 O ATOM 34 OP2 DA A 2 -1.416 13.455 19.423 1.00 1.04 O ATOM 35 O5' DA A 2 -1.043 14.140 17.025 1.00 0.59 O ATOM 36 C5' DA A 2 -1.544 14.698 15.800 1.00 0.46 C ATOM 37 C4' DA A 2 -1.040 13.955 14.558 1.00 0.32 C ATOM 38 O4' DA A 2 0.398 14.057 14.495 1.00 0.38 O ATOM 39 C3' DA A 2 -1.433 12.471 14.523 1.00 0.31 C ATOM 40 O3' DA A 2 -1.970 12.085 13.248 1.00 0.34 O ATOM 41 C2' DA A 2 -0.115 11.812 14.904 1.00 0.31 C ATOM 42 C1' DA A 2 0.958 12.741 14.376 1.00 0.32 C ATOM 43 N9 DA A 2 2.204 12.616 15.143 1.00 0.31 N ATOM 44 C8 DA A 2 2.426 12.867 16.461 1.00 0.35 C ATOM 45 N7 DA A 2 3.663 12.708 16.843 1.00 0.36 N ATOM 46 C5 DA A 2 4.303 12.296 15.676 1.00 0.32 C ATOM 47 C6 DA A 2 5.631 11.962 15.380 1.00 0.32 C ATOM 48 N6 DA A 2 6.618 12.010 16.273 1.00 0.36 N ATOM 49 N1 DA A 2 5.899 11.585 14.119 1.00 0.31 N ATOM 50 C2 DA A 2 4.927 11.560 13.210 1.00 0.29 C ATOM 51 N3 DA A 2 3.649 11.853 13.370 1.00 0.28 N ATOM 52 C4 DA A 2 3.412 12.222 14.644 1.00 0.29 C ATOM 0 H5' DA A 2 -1.249 15.745 15.736 1.00 0.46 H new ATOM 0 H5'' DA A 2 -2.634 14.674 15.814 1.00 0.46 H new ATOM 0 H4' DA A 2 -1.515 14.429 13.699 1.00 0.32 H new ATOM 0 H3' DA A 2 -2.245 12.184 15.190 1.00 0.31 H new ATOM 0 H2' DA A 2 -0.033 11.689 15.984 1.00 0.31 H new ATOM 0 H2'' DA A 2 -0.029 10.819 14.463 1.00 0.31 H new ATOM 0 H1' DA A 2 1.228 12.505 13.347 1.00 0.32 H new ATOM 0 H8 DA A 2 1.641 13.173 17.137 1.00 0.35 H new ATOM 0 H61 DA A 2 7.567 11.755 15.999 1.00 0.36 H new ATOM 0 H62 DA A 2 6.425 12.302 17.231 1.00 0.36 H new ATOM 0 H2 DA A 2 5.221 11.262 12.214 1.00 0.29 H new ATOM 64 P DA A 3 -2.409 10.553 13.020 1.00 0.39 P ATOM 65 OP1 DA A 3 -3.119 10.417 11.727 1.00 0.46 O ATOM 66 OP2 DA A 3 -3.021 10.035 14.265 1.00 0.41 O ATOM 67 O5' DA A 3 -0.952 9.905 12.833 1.00 0.38 O ATOM 68 C5' DA A 3 -0.274 10.151 11.596 1.00 0.37 C ATOM 69 C4' DA A 3 0.898 9.236 11.399 1.00 0.35 C ATOM 70 O4' DA A 3 1.961 9.465 12.332 1.00 0.33 O ATOM 71 C3' DA A 3 0.463 7.785 11.522 1.00 0.38 C ATOM 72 O3' DA A 3 1.004 7.058 10.438 1.00 0.49 O ATOM 73 C2' DA A 3 1.193 7.366 12.761 1.00 0.37 C ATOM 74 C1' DA A 3 2.477 8.190 12.697 1.00 0.34 C ATOM 75 N9 DA A 3 3.205 8.355 13.965 1.00 0.33 N ATOM 76 C8 DA A 3 2.712 8.741 15.173 1.00 0.35 C ATOM 77 N7 DA A 3 3.609 8.904 16.102 1.00 0.37 N ATOM 78 C5 DA A 3 4.799 8.573 15.456 1.00 0.35 C ATOM 79 C6 DA A 3 6.138 8.562 15.874 1.00 0.37 C ATOM 80 N6 DA A 3 6.546 8.948 17.083 1.00 0.42 N ATOM 81 N1 DA A 3 7.052 8.148 14.986 1.00 0.37 N ATOM 82 C2 DA A 3 6.682 7.792 13.761 1.00 0.37 C ATOM 83 N3 DA A 3 5.463 7.795 13.242 1.00 0.36 N ATOM 84 C4 DA A 3 4.556 8.199 14.162 1.00 0.33 C ATOM 0 H5' DA A 3 0.067 11.186 11.571 1.00 0.37 H new ATOM 0 H5'' DA A 3 -0.973 10.026 10.769 1.00 0.37 H new ATOM 0 H4' DA A 3 1.275 9.450 10.399 1.00 0.35 H new ATOM 0 H3' DA A 3 -0.616 7.635 11.542 1.00 0.38 H new ATOM 0 H2' DA A 3 0.618 7.583 13.661 1.00 0.37 H new ATOM 0 H2'' DA A 3 1.400 6.296 12.765 1.00 0.37 H new ATOM 0 H1' DA A 3 3.200 7.712 12.036 1.00 0.34 H new ATOM 0 H8 DA A 3 1.658 8.900 15.348 1.00 0.35 H new ATOM 0 H61 DA A 3 7.537 8.914 17.322 1.00 0.42 H new ATOM 0 H62 DA A 3 5.867 9.277 17.769 1.00 0.42 H new ATOM 0 H2 DA A 3 7.474 7.458 13.106 1.00 0.37 H new ATOM 96 P DC A 4 0.427 5.649 9.957 1.00 0.38 P ATOM 97 OP1 DC A 4 -0.803 5.911 9.179 1.00 0.57 O ATOM 98 OP2 DC A 4 0.409 4.731 11.120 1.00 0.44 O ATOM 99 O5' DC A 4 1.650 5.225 9.007 1.00 0.37 O ATOM 100 C5' DC A 4 2.350 6.238 8.270 1.00 0.31 C ATOM 101 C4' DC A 4 3.839 6.018 8.157 1.00 0.30 C ATOM 102 O4' DC A 4 4.587 6.210 9.362 1.00 0.31 O ATOM 103 C3' DC A 4 4.142 4.666 7.610 1.00 0.35 C ATOM 104 O3' DC A 4 5.043 4.788 6.511 1.00 0.41 O ATOM 105 C2' DC A 4 4.488 3.958 8.877 1.00 0.35 C ATOM 106 C1' DC A 4 5.272 4.984 9.638 1.00 0.34 C ATOM 107 N1 DC A 4 5.329 4.807 11.093 1.00 0.35 N ATOM 108 C2 DC A 4 6.562 4.748 11.732 1.00 0.43 C ATOM 109 O2 DC A 4 7.623 4.782 11.113 1.00 0.49 O ATOM 110 N3 DC A 4 6.577 4.648 13.082 1.00 0.48 N ATOM 111 C4 DC A 4 5.443 4.606 13.794 1.00 0.47 C ATOM 112 N4 DC A 4 5.516 4.511 15.118 1.00 0.56 N ATOM 113 C5 DC A 4 4.165 4.652 13.155 1.00 0.39 C ATOM 114 C6 DC A 4 4.166 4.727 11.781 1.00 0.33 C ATOM 0 H5' DC A 4 2.174 7.202 8.746 1.00 0.31 H new ATOM 0 H5'' DC A 4 1.928 6.296 7.267 1.00 0.31 H new ATOM 0 H4' DC A 4 4.164 6.801 7.472 1.00 0.30 H new ATOM 0 H3' DC A 4 3.385 4.071 7.099 1.00 0.35 H new ATOM 0 H2' DC A 4 3.596 3.647 9.421 1.00 0.35 H new ATOM 0 H2'' DC A 4 5.076 3.060 8.689 1.00 0.35 H new ATOM 0 H1' DC A 4 6.314 4.928 9.323 1.00 0.34 H new ATOM 0 H41 DC A 4 4.662 4.478 15.675 1.00 0.56 H new ATOM 0 H42 DC A 4 6.426 4.471 15.577 1.00 0.56 H new ATOM 0 H5 DC A 4 3.246 4.629 13.722 1.00 0.39 H new ATOM 0 H6 DC A 4 3.228 4.722 11.245 1.00 0.33 H new ATOM 126 P DT A 5 4.855 3.720 5.318 1.00 0.44 P ATOM 127 OP1 DT A 5 5.685 4.128 4.161 1.00 0.59 O ATOM 128 OP2 DT A 5 3.412 3.431 5.149 1.00 0.46 O ATOM 129 O5' DT A 5 5.540 2.501 6.099 1.00 0.37 O ATOM 130 C5' DT A 5 6.904 2.722 6.438 1.00 0.34 C ATOM 131 C4' DT A 5 7.447 1.873 7.544 1.00 0.25 C ATOM 132 O4' DT A 5 6.835 2.241 8.791 1.00 0.23 O ATOM 133 C3' DT A 5 7.211 0.411 7.278 1.00 0.27 C ATOM 134 O3' DT A 5 8.467 -0.277 7.174 1.00 0.31 O ATOM 135 C2' DT A 5 6.475 -0.005 8.529 1.00 0.22 C ATOM 136 C1' DT A 5 6.839 1.053 9.575 1.00 0.17 C ATOM 137 N1 DT A 5 5.981 1.167 10.782 1.00 0.17 N ATOM 138 C2 DT A 5 6.591 1.343 12.028 1.00 0.18 C ATOM 139 O2 DT A 5 7.813 1.385 12.193 1.00 0.18 O ATOM 140 N3 DT A 5 5.727 1.480 13.105 1.00 0.22 N ATOM 141 C4 DT A 5 4.344 1.492 13.053 1.00 0.25 C ATOM 142 O4 DT A 5 3.685 1.624 14.083 1.00 0.31 O ATOM 143 C5 DT A 5 3.803 1.341 11.720 1.00 0.22 C ATOM 144 C7 DT A 5 2.282 1.464 11.510 1.00 0.27 C ATOM 145 C6 DT A 5 4.621 1.120 10.665 1.00 0.19 C ATOM 0 H5' DT A 5 7.024 3.769 6.717 1.00 0.34 H new ATOM 0 H5'' DT A 5 7.511 2.557 5.548 1.00 0.34 H new ATOM 0 H4' DT A 5 8.522 2.042 7.599 1.00 0.25 H new ATOM 0 H3' DT A 5 6.673 0.196 6.355 1.00 0.27 H new ATOM 0 H2' DT A 5 5.399 -0.039 8.360 1.00 0.22 H new ATOM 0 H2'' DT A 5 6.779 -1.001 8.853 1.00 0.22 H new ATOM 0 H1' DT A 5 7.781 0.799 10.060 1.00 0.17 H new ATOM 0 H3 DT A 5 6.153 1.582 14.026 1.00 0.22 H new ATOM 0 H71 DT A 5 2.083 1.852 10.511 1.00 0.27 H new ATOM 0 H72 DT A 5 1.819 0.483 11.617 1.00 0.27 H new ATOM 0 H73 DT A 5 1.866 2.144 12.253 1.00 0.27 H new ATOM 0 H6 DT A 5 4.185 0.900 9.702 1.00 0.19 H new ATOM 158 P DG A 6 8.908 -1.283 5.996 1.00 0.46 P ATOM 159 OP1 DG A 6 8.987 -0.500 4.742 1.00 0.93 O ATOM 160 OP2 DG A 6 8.059 -2.493 6.064 1.00 0.92 O ATOM 161 O5' DG A 6 10.407 -1.682 6.456 1.00 0.28 O ATOM 162 C5' DG A 6 11.496 -0.758 6.325 1.00 0.25 C ATOM 163 C4' DG A 6 12.472 -0.775 7.497 1.00 0.25 C ATOM 164 O4' DG A 6 11.810 -0.426 8.724 1.00 0.27 O ATOM 165 C3' DG A 6 13.207 -2.078 7.706 1.00 0.31 C ATOM 166 O3' DG A 6 14.623 -1.882 7.833 1.00 0.34 O ATOM 167 C2' DG A 6 12.469 -2.607 8.901 1.00 0.36 C ATOM 168 C1' DG A 6 12.001 -1.437 9.723 1.00 0.31 C ATOM 169 N9 DG A 6 10.684 -1.647 10.380 1.00 0.40 N ATOM 170 C8 DG A 6 9.520 -1.889 9.723 1.00 0.56 C ATOM 171 N7 DG A 6 8.461 -1.957 10.477 1.00 0.60 N ATOM 172 C5 DG A 6 8.970 -1.783 11.765 1.00 0.47 C ATOM 173 C6 DG A 6 8.290 -1.750 13.022 1.00 0.50 C ATOM 174 O6 DG A 6 7.086 -1.851 13.252 1.00 0.53 O ATOM 175 N1 DG A 6 9.165 -1.575 14.082 1.00 0.66 N ATOM 176 C2 DG A 6 10.532 -1.472 13.963 1.00 0.81 C ATOM 177 N2 DG A 6 11.204 -1.459 15.109 1.00 1.22 N ATOM 178 N3 DG A 6 11.164 -1.423 12.784 1.00 0.63 N ATOM 179 C4 DG A 6 10.334 -1.612 11.726 1.00 0.44 C ATOM 0 H5' DG A 6 11.093 0.249 6.216 1.00 0.25 H new ATOM 0 H5'' DG A 6 12.041 -0.984 5.409 1.00 0.25 H new ATOM 0 H4' DG A 6 13.221 -0.032 7.224 1.00 0.25 H new ATOM 0 H3' DG A 6 13.198 -2.792 6.882 1.00 0.31 H new ATOM 0 H2' DG A 6 11.620 -3.213 8.585 1.00 0.36 H new ATOM 0 H2'' DG A 6 13.118 -3.252 9.493 1.00 0.36 H new ATOM 0 H1' DG A 6 12.709 -1.223 10.524 1.00 0.31 H new ATOM 0 H8 DG A 6 9.476 -2.016 8.651 1.00 0.56 H new ATOM 0 H1 DG A 6 8.767 -1.518 15.019 1.00 0.66 H new ATOM 0 H21 DG A 6 12.221 -1.385 15.103 1.00 1.22 H new ATOM 0 H22 DG A 6 10.703 -1.523 15.995 1.00 1.22 H new ATOM 191 P DG A 7 15.676 -3.086 7.556 1.00 0.47 P ATOM 192 OP1 DG A 7 17.024 -2.493 7.405 1.00 0.62 O ATOM 193 OP2 DG A 7 15.136 -3.964 6.493 1.00 0.61 O ATOM 194 O5' DG A 7 15.603 -3.870 8.953 1.00 0.36 O ATOM 195 C5' DG A 7 16.062 -3.206 10.130 1.00 0.29 C ATOM 196 C4' DG A 7 15.570 -3.824 11.405 1.00 0.25 C ATOM 197 O4' DG A 7 14.155 -3.665 11.540 1.00 0.28 O ATOM 198 C3' DG A 7 15.959 -5.261 11.583 1.00 0.26 C ATOM 199 O3' DG A 7 16.864 -5.525 12.663 1.00 0.32 O ATOM 200 C2' DG A 7 14.606 -5.854 11.788 1.00 0.22 C ATOM 201 C1' DG A 7 13.716 -4.761 12.320 1.00 0.24 C ATOM 202 N9 DG A 7 12.276 -4.941 12.036 1.00 0.23 N ATOM 203 C8 DG A 7 11.680 -5.272 10.848 1.00 0.23 C ATOM 204 N7 DG A 7 10.390 -5.420 10.912 1.00 0.23 N ATOM 205 C5 DG A 7 10.098 -5.099 12.231 1.00 0.22 C ATOM 206 C6 DG A 7 8.851 -5.046 12.891 1.00 0.24 C ATOM 207 O6 DG A 7 7.738 -5.242 12.422 1.00 0.28 O ATOM 208 N1 DG A 7 8.985 -4.716 14.223 1.00 0.24 N ATOM 209 C2 DG A 7 10.165 -4.419 14.851 1.00 0.26 C ATOM 210 N2 DG A 7 10.059 -4.128 16.142 1.00 0.32 N ATOM 211 N3 DG A 7 11.343 -4.421 14.220 1.00 0.26 N ATOM 212 C4 DG A 7 11.240 -4.793 12.924 1.00 0.23 C ATOM 0 H5' DG A 7 15.743 -2.164 10.096 1.00 0.29 H new ATOM 0 H5'' DG A 7 17.152 -3.206 10.134 1.00 0.29 H new ATOM 0 H4' DG A 7 16.074 -3.279 12.203 1.00 0.25 H new ATOM 0 H3' DG A 7 16.535 -5.667 10.752 1.00 0.26 H new ATOM 0 H2' DG A 7 14.213 -6.248 10.851 1.00 0.22 H new ATOM 0 H2'' DG A 7 14.653 -6.687 12.489 1.00 0.22 H new ATOM 0 H1' DG A 7 13.788 -4.689 13.405 1.00 0.24 H new ATOM 0 H8 DG A 7 12.237 -5.400 9.932 1.00 0.23 H new ATOM 0 H1 DG A 7 8.135 -4.691 14.787 1.00 0.24 H new ATOM 0 H21 DG A 7 10.892 -3.895 16.682 1.00 0.32 H new ATOM 0 H22 DG A 7 9.144 -4.137 16.593 1.00 0.32 H new ATOM 224 P DT A 8 17.492 -7.007 12.824 1.00 0.37 P ATOM 225 OP1 DT A 8 18.819 -6.883 13.472 1.00 0.50 O ATOM 226 OP2 DT A 8 17.368 -7.688 11.513 1.00 0.45 O ATOM 227 O5' DT A 8 16.477 -7.692 13.865 1.00 0.27 O ATOM 228 C5' DT A 8 16.381 -7.047 15.139 1.00 0.23 C ATOM 229 C4' DT A 8 14.986 -7.078 15.765 1.00 0.21 C ATOM 230 O4' DT A 8 13.953 -6.574 14.877 1.00 0.24 O ATOM 231 C3' DT A 8 14.503 -8.454 16.233 1.00 0.21 C ATOM 232 O3' DT A 8 15.042 -8.747 17.526 1.00 0.25 O ATOM 233 C2' DT A 8 13.020 -8.134 16.368 1.00 0.22 C ATOM 234 C1' DT A 8 12.687 -7.187 15.228 1.00 0.24 C ATOM 235 N1 DT A 8 11.875 -7.753 14.129 1.00 0.21 N ATOM 236 C2 DT A 8 10.497 -7.724 14.262 1.00 0.24 C ATOM 237 O2 DT A 8 9.924 -7.300 15.263 1.00 0.34 O ATOM 238 N3 DT A 8 9.780 -8.181 13.187 1.00 0.24 N ATOM 239 C4 DT A 8 10.297 -8.600 11.979 1.00 0.23 C ATOM 240 O4 DT A 8 9.539 -8.951 11.076 1.00 0.28 O ATOM 241 C5 DT A 8 11.745 -8.572 11.925 1.00 0.21 C ATOM 242 C7 DT A 8 12.466 -8.881 10.614 1.00 0.27 C ATOM 243 C6 DT A 8 12.462 -8.248 13.020 1.00 0.20 C ATOM 0 H5' DT A 8 16.693 -6.008 15.030 1.00 0.23 H new ATOM 0 H5'' DT A 8 17.083 -7.520 15.825 1.00 0.23 H new ATOM 0 H4' DT A 8 15.125 -6.433 16.633 1.00 0.21 H new ATOM 0 H3' DT A 8 14.766 -9.296 15.593 1.00 0.21 H new ATOM 0 H2' DT A 8 12.419 -9.041 16.309 1.00 0.22 H new ATOM 0 H2'' DT A 8 12.807 -7.673 17.332 1.00 0.22 H new ATOM 0 H1' DT A 8 11.974 -6.422 15.536 1.00 0.24 H new ATOM 0 H3 DT A 8 8.766 -8.214 13.290 1.00 0.24 H new ATOM 0 H71 DT A 8 11.868 -9.576 10.025 1.00 0.27 H new ATOM 0 H72 DT A 8 12.609 -7.959 10.051 1.00 0.27 H new ATOM 0 H73 DT A 8 13.436 -9.329 10.829 1.00 0.27 H new ATOM 0 H6 DT A 8 13.533 -8.388 13.009 1.00 0.20 H new ATOM 256 P DT A 9 15.109 -10.259 18.073 1.00 0.35 P ATOM 257 OP1 DT A 9 16.013 -10.261 19.245 1.00 0.49 O ATOM 258 OP2 DT A 9 15.394 -11.132 16.909 1.00 0.42 O ATOM 259 O5' DT A 9 13.609 -10.547 18.579 1.00 0.36 O ATOM 260 C5' DT A 9 13.084 -9.912 19.753 1.00 0.32 C ATOM 261 C4' DT A 9 11.809 -10.590 20.246 1.00 0.29 C ATOM 262 O4' DT A 9 10.897 -10.457 19.158 1.00 0.31 O ATOM 263 C3' DT A 9 11.979 -12.063 20.566 1.00 0.34 C ATOM 264 O3' DT A 9 11.315 -12.536 21.745 1.00 0.50 O ATOM 265 C2' DT A 9 11.461 -12.708 19.298 1.00 0.31 C ATOM 266 C1' DT A 9 10.397 -11.726 18.777 1.00 0.31 C ATOM 267 N1 DT A 9 10.170 -11.657 17.327 1.00 0.30 N ATOM 268 C2 DT A 9 8.871 -11.693 16.851 1.00 0.39 C ATOM 269 O2 DT A 9 7.905 -11.848 17.596 1.00 0.52 O ATOM 270 N3 DT A 9 8.728 -11.544 15.495 1.00 0.37 N ATOM 271 C4 DT A 9 9.752 -11.389 14.581 1.00 0.31 C ATOM 272 O4 DT A 9 9.500 -11.273 13.384 1.00 0.33 O ATOM 273 C5 DT A 9 11.072 -11.384 15.179 1.00 0.25 C ATOM 274 C7 DT A 9 12.307 -11.204 14.320 1.00 0.25 C ATOM 275 C6 DT A 9 11.228 -11.531 16.501 1.00 0.25 C ATOM 0 H5' DT A 9 12.877 -8.864 19.537 1.00 0.32 H new ATOM 0 H5'' DT A 9 13.835 -9.933 20.543 1.00 0.32 H new ATOM 0 H4' DT A 9 11.481 -10.129 21.178 1.00 0.29 H new ATOM 0 H3' DT A 9 13.011 -12.305 20.820 1.00 0.34 H new ATOM 0 H2' DT A 9 12.260 -12.852 18.570 1.00 0.31 H new ATOM 0 H2'' DT A 9 11.032 -13.690 19.498 1.00 0.31 H new ATOM 0 H1' DT A 9 9.441 -12.054 19.185 1.00 0.31 H new ATOM 0 H3 DT A 9 7.777 -11.548 15.127 1.00 0.37 H new ATOM 0 H71 DT A 9 13.086 -10.711 14.901 1.00 0.25 H new ATOM 0 H72 DT A 9 12.664 -12.179 13.988 1.00 0.25 H new ATOM 0 H73 DT A 9 12.060 -10.593 13.452 1.00 0.25 H new ATOM 0 H6 DT A 9 12.225 -11.549 16.915 1.00 0.25 H new ATOM 288 P DC A 10 11.347 -14.116 22.147 1.00 0.61 P ATOM 289 OP1 DC A 10 11.387 -14.225 23.622 1.00 0.89 O ATOM 290 OP2 DC A 10 12.386 -14.777 21.325 1.00 0.73 O ATOM 291 O5' DC A 10 9.894 -14.602 21.620 1.00 0.37 O ATOM 292 C5' DC A 10 8.788 -13.863 22.137 1.00 0.42 C ATOM 293 C4' DC A 10 7.392 -14.228 21.618 1.00 0.42 C ATOM 294 O4' DC A 10 7.237 -13.874 20.235 1.00 0.46 O ATOM 295 C3' DC A 10 6.881 -15.672 21.819 1.00 0.43 C ATOM 296 O3' DC A 10 5.499 -15.602 22.179 1.00 0.63 O ATOM 297 C2' DC A 10 6.974 -16.182 20.376 1.00 0.50 C ATOM 298 C1' DC A 10 6.647 -14.957 19.499 1.00 0.55 C ATOM 299 N1 DC A 10 7.319 -14.969 18.165 1.00 0.56 N ATOM 300 C2 DC A 10 6.544 -14.861 17.011 1.00 0.78 C ATOM 301 O2 DC A 10 5.321 -14.782 17.073 1.00 1.06 O ATOM 302 N3 DC A 10 7.165 -14.840 15.799 1.00 0.77 N ATOM 303 C4 DC A 10 8.500 -14.890 15.693 1.00 0.60 C ATOM 304 N4 DC A 10 9.068 -14.890 14.482 1.00 0.63 N ATOM 305 C5 DC A 10 9.322 -14.950 16.860 1.00 0.57 C ATOM 306 C6 DC A 10 8.680 -15.062 18.079 1.00 0.52 C ATOM 0 H5' DC A 10 8.960 -12.807 21.927 1.00 0.42 H new ATOM 0 H5'' DC A 10 8.785 -13.976 23.221 1.00 0.42 H new ATOM 0 H4' DC A 10 6.764 -13.628 22.277 1.00 0.42 H new ATOM 0 H3' DC A 10 7.406 -16.266 22.567 1.00 0.43 H new ATOM 0 H2' DC A 10 7.969 -16.570 20.158 1.00 0.50 H new ATOM 0 H2'' DC A 10 6.269 -16.994 20.198 1.00 0.50 H new ATOM 0 HO3' DC A 10 5.149 -16.508 22.311 1.00 0.63 H new ATOM 0 H1' DC A 10 5.574 -14.908 19.311 1.00 0.55 H new ATOM 0 H41 DC A 10 10.084 -14.928 14.395 1.00 0.63 H new ATOM 0 H42 DC A 10 8.486 -14.852 13.646 1.00 0.63 H new ATOM 0 H5 DC A 10 10.399 -14.910 16.793 1.00 0.57 H new ATOM 0 H6 DC A 10 9.261 -15.225 18.975 1.00 0.52 H new TER 319 DC A 10 ATOM 320 O5' DG B 16 0.070 -19.813 8.180 1.00 0.89 O ATOM 321 C5' DG B 16 -0.224 -18.455 7.872 1.00 0.79 C ATOM 322 C4' DG B 16 -0.311 -17.675 9.215 1.00 0.65 C ATOM 323 O4' DG B 16 0.968 -17.805 9.896 1.00 0.53 O ATOM 324 C3' DG B 16 -0.653 -16.158 9.202 1.00 0.65 C ATOM 325 O3' DG B 16 -1.604 -15.826 10.228 1.00 0.70 O ATOM 326 C2' DG B 16 0.733 -15.542 9.440 1.00 0.57 C ATOM 327 C1' DG B 16 1.392 -16.529 10.421 1.00 0.45 C ATOM 328 N9 DG B 16 2.857 -16.342 10.499 1.00 0.42 N ATOM 329 C8 DG B 16 3.817 -16.415 9.527 1.00 0.50 C ATOM 330 N7 DG B 16 5.028 -16.154 9.947 1.00 0.55 N ATOM 331 C5 DG B 16 4.858 -15.896 11.310 1.00 0.51 C ATOM 332 C6 DG B 16 5.811 -15.542 12.319 1.00 0.62 C ATOM 333 O6 DG B 16 7.022 -15.353 12.212 1.00 0.74 O ATOM 334 N1 DG B 16 5.206 -15.397 13.564 1.00 0.64 N ATOM 335 C2 DG B 16 3.851 -15.531 13.803 1.00 0.60 C ATOM 336 N2 DG B 16 3.424 -15.299 15.042 1.00 0.76 N ATOM 337 N3 DG B 16 2.966 -15.859 12.862 1.00 0.49 N ATOM 338 C4 DG B 16 3.537 -16.025 11.648 1.00 0.43 C ATOM 0 H5' DG B 16 -1.164 -18.381 7.325 1.00 0.79 H new ATOM 0 H5'' DG B 16 0.551 -18.031 7.233 1.00 0.79 H new ATOM 0 H4' DG B 16 -1.171 -18.137 9.700 1.00 0.65 H new ATOM 0 H3' DG B 16 -1.132 -15.801 8.290 1.00 0.65 H new ATOM 0 H2' DG B 16 1.300 -15.456 8.513 1.00 0.57 H new ATOM 0 H2'' DG B 16 0.661 -14.540 9.864 1.00 0.57 H new ATOM 0 HO5' DG B 16 0.653 -19.851 8.967 1.00 0.89 H new ATOM 0 H1' DG B 16 1.097 -16.401 11.462 1.00 0.45 H new ATOM 0 H8 DG B 16 3.594 -16.667 8.501 1.00 0.50 H new ATOM 0 H1 DG B 16 5.806 -15.176 14.358 1.00 0.64 H new ATOM 0 H21 DG B 16 2.432 -15.386 15.264 1.00 0.76 H new ATOM 0 H22 DG B 16 4.088 -15.034 15.769 1.00 0.76 H new ATOM 351 P DA B 17 -1.943 -14.284 10.590 1.00 0.83 P ATOM 352 OP1 DA B 17 -3.357 -14.172 11.016 1.00 1.03 O ATOM 353 OP2 DA B 17 -1.425 -13.413 9.508 1.00 1.04 O ATOM 354 O5' DA B 17 -1.027 -14.101 11.901 1.00 0.59 O ATOM 355 C5' DA B 17 -1.514 -14.663 13.130 1.00 0.45 C ATOM 356 C4' DA B 17 -0.999 -13.921 14.368 1.00 0.31 C ATOM 357 O4' DA B 17 0.439 -14.019 14.416 1.00 0.37 O ATOM 358 C3' DA B 17 -1.395 -12.437 14.410 1.00 0.31 C ATOM 359 O3' DA B 17 -1.920 -12.055 15.691 1.00 0.34 O ATOM 360 C2' DA B 17 -0.083 -11.775 14.016 1.00 0.30 C ATOM 361 C1' DA B 17 0.997 -12.702 14.532 1.00 0.31 C ATOM 362 N9 DA B 17 2.236 -12.572 13.753 1.00 0.30 N ATOM 363 C8 DA B 17 2.445 -12.821 12.432 1.00 0.34 C ATOM 364 N7 DA B 17 3.677 -12.659 12.038 1.00 0.35 N ATOM 365 C5 DA B 17 4.329 -12.246 13.200 1.00 0.31 C ATOM 366 C6 DA B 17 5.658 -11.910 13.483 1.00 0.31 C ATOM 367 N6 DA B 17 6.636 -11.954 12.579 1.00 0.36 N ATOM 368 N1 DA B 17 5.938 -11.534 14.741 1.00 0.30 N ATOM 369 C2 DA B 17 4.975 -11.513 15.660 1.00 0.28 C ATOM 370 N3 DA B 17 3.697 -11.809 15.513 1.00 0.27 N ATOM 371 C4 DA B 17 3.448 -12.177 14.241 1.00 0.28 C ATOM 0 H5' DA B 17 -1.215 -15.710 13.189 1.00 0.45 H new ATOM 0 H5'' DA B 17 -2.604 -14.642 13.127 1.00 0.45 H new ATOM 0 H4' DA B 17 -1.464 -14.398 15.230 1.00 0.31 H new ATOM 0 H3' DA B 17 -2.215 -12.149 13.752 1.00 0.31 H new ATOM 0 H2' DA B 17 -0.013 -11.651 12.935 1.00 0.30 H new ATOM 0 H2'' DA B 17 0.006 -10.782 14.457 1.00 0.30 H new ATOM 0 H1' DA B 17 1.276 -12.468 15.559 1.00 0.31 H new ATOM 0 H8 DA B 17 1.654 -13.128 11.764 1.00 0.34 H new ATOM 0 H61 DA B 17 7.587 -11.697 12.844 1.00 0.36 H new ATOM 0 H62 DA B 17 6.434 -12.244 11.622 1.00 0.36 H new ATOM 0 H2 DA B 17 5.278 -11.216 16.653 1.00 0.28 H new ATOM 383 P DA B 18 -2.361 -10.524 15.926 1.00 0.39 P ATOM 384 OP1 DA B 18 -3.058 -10.392 17.226 1.00 0.47 O ATOM 385 OP2 DA B 18 -2.986 -10.005 14.688 1.00 0.41 O ATOM 386 O5' DA B 18 -0.904 -9.874 16.099 1.00 0.38 O ATOM 387 C5' DA B 18 -0.212 -10.119 17.329 1.00 0.37 C ATOM 388 C4' DA B 18 0.960 -9.202 17.516 1.00 0.35 C ATOM 389 O4' DA B 18 2.014 -9.427 16.571 1.00 0.32 O ATOM 390 C3' DA B 18 0.520 -7.752 17.400 1.00 0.38 C ATOM 391 O3' DA B 18 1.070 -7.026 18.480 1.00 0.49 O ATOM 392 C2' DA B 18 1.237 -7.329 16.154 1.00 0.37 C ATOM 393 C1' DA B 18 2.524 -8.150 16.204 1.00 0.33 C ATOM 394 N9 DA B 18 3.239 -8.311 14.928 1.00 0.32 N ATOM 395 C8 DA B 18 2.734 -8.697 13.725 1.00 0.34 C ATOM 396 N7 DA B 18 3.622 -8.855 12.786 1.00 0.36 N ATOM 397 C5 DA B 18 4.817 -8.524 13.421 1.00 0.33 C ATOM 398 C6 DA B 18 6.153 -8.508 12.990 1.00 0.36 C ATOM 399 N6 DA B 18 6.549 -8.891 11.775 1.00 0.41 N ATOM 400 N1 DA B 18 7.073 -8.094 13.869 1.00 0.36 N ATOM 401 C2 DA B 18 6.715 -7.741 15.098 1.00 0.36 C ATOM 402 N3 DA B 18 5.502 -7.747 15.629 1.00 0.35 N ATOM 403 C4 DA B 18 4.587 -8.152 14.718 1.00 0.32 C ATOM 0 H5' DA B 18 0.132 -11.153 17.350 1.00 0.37 H new ATOM 0 H5'' DA B 18 -0.903 -9.996 18.163 1.00 0.37 H new ATOM 0 H4' DA B 18 1.348 -9.417 18.512 1.00 0.35 H new ATOM 0 H3' DA B 18 -0.560 -7.605 17.391 1.00 0.38 H new ATOM 0 H2' DA B 18 0.654 -7.546 15.259 1.00 0.37 H new ATOM 0 H2'' DA B 18 1.441 -6.258 16.149 1.00 0.37 H new ATOM 0 H1' DA B 18 3.253 -7.672 16.858 1.00 0.33 H new ATOM 0 H8 DA B 18 1.679 -8.860 13.562 1.00 0.34 H new ATOM 0 H61 DA B 18 7.537 -8.854 11.526 1.00 0.41 H new ATOM 0 H62 DA B 18 5.863 -9.220 11.095 1.00 0.41 H new ATOM 0 H2 DA B 18 7.513 -7.407 15.745 1.00 0.36 H new ATOM 415 P DC B 19 0.495 -5.619 18.968 1.00 0.38 P ATOM 416 OP1 DC B 19 -0.727 -5.885 19.759 1.00 0.57 O ATOM 417 OP2 DC B 19 0.463 -4.699 17.808 1.00 0.45 O ATOM 418 O5' DC B 19 1.726 -5.194 19.908 1.00 0.38 O ATOM 419 C5' DC B 19 2.436 -6.207 20.636 1.00 0.31 C ATOM 420 C4' DC B 19 3.925 -5.983 20.733 1.00 0.31 C ATOM 421 O4' DC B 19 4.662 -6.171 19.521 1.00 0.31 O ATOM 422 C3' DC B 19 4.232 -4.632 21.280 1.00 0.36 C ATOM 423 O3' DC B 19 5.143 -4.753 22.370 1.00 0.42 O ATOM 424 C2' DC B 19 4.562 -3.921 20.011 1.00 0.35 C ATOM 425 C1' DC B 19 5.341 -4.943 19.240 1.00 0.34 C ATOM 426 N1 DC B 19 5.383 -4.763 17.784 1.00 0.34 N ATOM 427 C2 DC B 19 6.609 -4.700 17.134 1.00 0.43 C ATOM 428 O2 DC B 19 7.676 -4.732 17.742 1.00 0.48 O ATOM 429 N3 DC B 19 6.610 -4.597 15.784 1.00 0.48 N ATOM 430 C4 DC B 19 5.469 -4.557 15.084 1.00 0.46 C ATOM 431 N4 DC B 19 5.528 -4.460 13.759 1.00 0.55 N ATOM 432 C5 DC B 19 4.198 -4.608 15.735 1.00 0.38 C ATOM 433 C6 DC B 19 4.213 -4.685 17.109 1.00 0.32 C ATOM 0 H5' DC B 19 2.257 -7.171 20.160 1.00 0.31 H new ATOM 0 H5'' DC B 19 2.024 -6.268 21.643 1.00 0.31 H new ATOM 0 H4' DC B 19 4.257 -6.767 21.413 1.00 0.31 H new ATOM 0 H3' DC B 19 3.480 -4.040 21.801 1.00 0.36 H new ATOM 0 H2' DC B 19 3.663 -3.612 19.477 1.00 0.35 H new ATOM 0 H2'' DC B 19 5.149 -3.021 20.194 1.00 0.35 H new ATOM 0 H1' DC B 19 6.386 -4.885 19.544 1.00 0.34 H new ATOM 0 H41 DC B 19 4.668 -4.428 13.211 1.00 0.55 H new ATOM 0 H42 DC B 19 6.433 -4.417 13.291 1.00 0.55 H new ATOM 0 H5 DC B 19 3.273 -4.587 15.178 1.00 0.38 H new ATOM 0 H6 DC B 19 3.281 -4.683 17.654 1.00 0.32 H new ATOM 445 P DT B 20 4.964 -3.687 23.566 1.00 0.45 P ATOM 446 OP1 DT B 20 5.808 -4.096 24.714 1.00 0.60 O ATOM 447 OP2 DT B 20 3.523 -3.402 23.750 1.00 0.48 O ATOM 448 O5' DT B 20 5.639 -2.465 22.780 1.00 0.38 O ATOM 449 C5' DT B 20 7.001 -2.683 22.428 1.00 0.35 C ATOM 450 C4' DT B 20 7.531 -1.831 21.317 1.00 0.27 C ATOM 451 O4' DT B 20 6.906 -2.198 20.077 1.00 0.23 O ATOM 452 C3' DT B 20 7.293 -0.370 21.588 1.00 0.28 C ATOM 453 O3' DT B 20 8.549 0.321 21.681 1.00 0.32 O ATOM 454 C2' DT B 20 6.544 0.046 20.345 1.00 0.24 C ATOM 455 C1' DT B 20 6.899 -1.008 19.295 1.00 0.18 C ATOM 456 N1 DT B 20 6.029 -1.123 18.095 1.00 0.17 N ATOM 457 C2 DT B 20 6.628 -1.295 16.843 1.00 0.18 C ATOM 458 O2 DT B 20 7.847 -1.334 16.666 1.00 0.18 O ATOM 459 N3 DT B 20 5.753 -1.432 15.775 1.00 0.22 N ATOM 460 C4 DT B 20 4.371 -1.447 15.841 1.00 0.25 C ATOM 461 O4 DT B 20 3.701 -1.579 14.817 1.00 0.31 O ATOM 462 C5 DT B 20 3.842 -1.300 17.180 1.00 0.23 C ATOM 463 C7 DT B 20 2.323 -1.426 17.403 1.00 0.28 C ATOM 464 C6 DT B 20 4.670 -1.079 18.226 1.00 0.20 C ATOM 0 H5' DT B 20 7.121 -3.729 22.147 1.00 0.35 H new ATOM 0 H5'' DT B 20 7.616 -2.518 23.312 1.00 0.35 H new ATOM 0 H4' DT B 20 8.606 -1.997 21.250 1.00 0.27 H new ATOM 0 H3' DT B 20 6.763 -0.158 22.516 1.00 0.28 H new ATOM 0 H2' DT B 20 5.469 0.078 20.524 1.00 0.24 H new ATOM 0 H2'' DT B 20 6.842 1.043 20.020 1.00 0.24 H new ATOM 0 H1' DT B 20 7.836 -0.750 18.801 1.00 0.18 H new ATOM 0 H3 DT B 20 6.170 -1.532 14.849 1.00 0.22 H new ATOM 0 H71 DT B 20 2.133 -1.817 18.403 1.00 0.28 H new ATOM 0 H72 DT B 20 1.858 -0.445 17.303 1.00 0.28 H new ATOM 0 H73 DT B 20 1.902 -2.105 16.662 1.00 0.28 H new ATOM 0 H6 DT B 20 4.244 -0.861 19.194 1.00 0.20 H new ATOM 477 P DG B 21 8.999 1.326 22.856 1.00 0.44 P ATOM 478 OP1 DG B 21 9.093 0.541 24.108 1.00 0.90 O ATOM 479 OP2 DG B 21 8.147 2.534 22.799 1.00 0.89 O ATOM 480 O5' DG B 21 10.492 1.730 22.381 1.00 0.27 O ATOM 481 C5' DG B 21 11.586 0.809 22.500 1.00 0.23 C ATOM 482 C4' DG B 21 12.549 0.829 21.319 1.00 0.24 C ATOM 483 O4' DG B 21 11.875 0.481 20.098 1.00 0.27 O ATOM 484 C3' DG B 21 13.279 2.134 21.104 1.00 0.31 C ATOM 485 O3' DG B 21 14.694 1.942 20.962 1.00 0.34 O ATOM 486 C2' DG B 21 12.527 2.664 19.917 1.00 0.36 C ATOM 487 C1' DG B 21 12.054 1.494 19.099 1.00 0.31 C ATOM 488 N9 DG B 21 10.730 1.702 18.455 1.00 0.40 N ATOM 489 C8 DG B 21 9.572 1.940 19.124 1.00 0.56 C ATOM 490 N7 DG B 21 8.505 2.007 18.381 1.00 0.60 N ATOM 491 C5 DG B 21 9.001 1.836 17.088 1.00 0.46 C ATOM 492 C6 DG B 21 8.309 1.804 15.838 1.00 0.50 C ATOM 493 O6 DG B 21 7.102 1.902 15.619 1.00 0.53 O ATOM 494 N1 DG B 21 9.174 1.633 14.768 1.00 0.66 N ATOM 495 C2 DG B 21 10.542 1.532 14.873 1.00 0.81 C ATOM 496 N2 DG B 21 11.203 1.523 13.720 1.00 1.22 N ATOM 497 N3 DG B 21 11.185 1.484 16.046 1.00 0.63 N ATOM 498 C4 DG B 21 10.367 1.668 17.112 1.00 0.44 C ATOM 0 H5' DG B 21 11.187 -0.199 22.613 1.00 0.23 H new ATOM 0 H5'' DG B 21 12.140 1.036 23.411 1.00 0.23 H new ATOM 0 H4' DG B 21 13.302 0.087 21.583 1.00 0.24 H new ATOM 0 H3' DG B 21 13.277 2.846 21.929 1.00 0.31 H new ATOM 0 H2' DG B 21 11.680 3.267 20.242 1.00 0.36 H new ATOM 0 H2'' DG B 21 13.168 3.311 19.319 1.00 0.36 H new ATOM 0 H1' DG B 21 12.755 1.283 18.291 1.00 0.31 H new ATOM 0 H8 DG B 21 9.539 2.065 20.196 1.00 0.56 H new ATOM 0 H1 DG B 21 8.766 1.578 13.835 1.00 0.66 H new ATOM 0 H21 DG B 21 12.220 1.451 13.716 1.00 1.22 H new ATOM 0 H22 DG B 21 10.693 1.588 12.839 1.00 1.22 H new ATOM 510 P DG B 22 15.747 3.147 21.231 1.00 0.48 P ATOM 511 OP1 DG B 22 17.098 2.557 21.368 1.00 0.63 O ATOM 512 OP2 DG B 22 15.215 4.022 22.301 1.00 0.62 O ATOM 513 O5' DG B 22 15.658 3.934 19.836 1.00 0.37 O ATOM 514 C5' DG B 22 16.107 3.272 18.653 1.00 0.30 C ATOM 515 C4' DG B 22 15.600 3.893 17.386 1.00 0.25 C ATOM 516 O4' DG B 22 14.184 3.730 17.264 1.00 0.27 O ATOM 517 C3' DG B 22 15.984 5.330 17.205 1.00 0.26 C ATOM 518 O3' DG B 22 16.878 5.598 16.116 1.00 0.32 O ATOM 519 C2' DG B 22 14.627 5.920 17.015 1.00 0.23 C ATOM 520 C1' DG B 22 13.734 4.827 16.490 1.00 0.24 C ATOM 521 N9 DG B 22 12.297 5.002 16.789 1.00 0.23 N ATOM 522 C8 DG B 22 11.713 5.330 17.983 1.00 0.23 C ATOM 523 N7 DG B 22 10.422 5.476 17.932 1.00 0.24 N ATOM 524 C5 DG B 22 10.117 5.155 16.616 1.00 0.23 C ATOM 525 C6 DG B 22 8.863 5.101 15.968 1.00 0.24 C ATOM 526 O6 DG B 22 7.755 5.293 16.449 1.00 0.28 O ATOM 527 N1 DG B 22 8.985 4.774 14.634 1.00 0.24 N ATOM 528 C2 DG B 22 10.159 4.481 13.994 1.00 0.26 C ATOM 529 N2 DG B 22 10.041 4.191 12.704 1.00 0.32 N ATOM 530 N3 DG B 22 11.343 4.483 14.613 1.00 0.25 N ATOM 531 C4 DG B 22 11.253 4.854 15.911 1.00 0.23 C ATOM 0 H5' DG B 22 15.791 2.230 18.688 1.00 0.30 H new ATOM 0 H5'' DG B 22 17.197 3.274 18.637 1.00 0.30 H new ATOM 0 H4' DG B 22 16.098 3.351 16.582 1.00 0.25 H new ATOM 0 H3' DG B 22 16.569 5.736 18.030 1.00 0.26 H new ATOM 0 H2' DG B 22 14.243 6.311 17.957 1.00 0.23 H new ATOM 0 H2'' DG B 22 14.665 6.755 16.315 1.00 0.23 H new ATOM 0 H1' DG B 22 13.795 4.758 15.404 1.00 0.24 H new ATOM 0 H8 DG B 22 12.279 5.457 18.894 1.00 0.23 H new ATOM 0 H1 DG B 22 8.130 4.748 14.078 1.00 0.24 H new ATOM 0 H21 DG B 22 10.869 3.961 12.155 1.00 0.32 H new ATOM 0 H22 DG B 22 9.122 4.198 12.262 1.00 0.32 H new ATOM 543 P DT B 23 17.500 7.082 15.951 1.00 0.37 P ATOM 544 OP1 DT B 23 18.821 6.963 15.290 1.00 0.50 O ATOM 545 OP2 DT B 23 17.388 7.761 17.265 1.00 0.45 O ATOM 546 O5' DT B 23 16.474 7.767 14.922 1.00 0.27 O ATOM 547 C5' DT B 23 16.367 7.124 13.648 1.00 0.23 C ATOM 548 C4' DT B 23 14.965 7.152 13.036 1.00 0.21 C ATOM 549 O4' DT B 23 13.942 6.644 13.934 1.00 0.23 O ATOM 550 C3' DT B 23 14.474 8.528 12.575 1.00 0.20 C ATOM 551 O3' DT B 23 14.999 8.824 11.278 1.00 0.25 O ATOM 552 C2' DT B 23 12.991 8.204 12.456 1.00 0.22 C ATOM 553 C1' DT B 23 12.671 7.255 13.597 1.00 0.23 C ATOM 554 N1 DT B 23 11.869 7.817 14.705 1.00 0.21 N ATOM 555 C2 DT B 23 10.489 7.785 14.586 1.00 0.24 C ATOM 556 O2 DT B 23 9.907 7.362 13.590 1.00 0.33 O ATOM 557 N3 DT B 23 9.782 8.239 15.668 1.00 0.23 N ATOM 558 C4 DT B 23 10.310 8.656 16.872 1.00 0.23 C ATOM 559 O4 DT B 23 9.561 9.004 17.783 1.00 0.28 O ATOM 560 C5 DT B 23 11.759 8.633 16.911 1.00 0.21 C ATOM 561 C7 DT B 23 12.492 8.942 18.216 1.00 0.27 C ATOM 562 C6 DT B 23 12.466 8.312 15.809 1.00 0.20 C ATOM 0 H5' DT B 23 16.683 6.086 13.752 1.00 0.23 H new ATOM 0 H5'' DT B 23 17.061 7.601 12.956 1.00 0.23 H new ATOM 0 H4' DT B 23 15.096 6.509 12.166 1.00 0.21 H new ATOM 0 H3' DT B 23 14.741 9.371 13.213 1.00 0.20 H new ATOM 0 H2' DT B 23 12.388 9.110 12.523 1.00 0.22 H new ATOM 0 H2'' DT B 23 12.769 7.744 11.493 1.00 0.22 H new ATOM 0 H1' DT B 23 11.956 6.489 13.295 1.00 0.23 H new ATOM 0 H3 DT B 23 8.767 8.272 15.574 1.00 0.23 H new ATOM 0 H71 DT B 23 11.897 9.634 18.812 1.00 0.27 H new ATOM 0 H72 DT B 23 12.644 8.019 18.775 1.00 0.27 H new ATOM 0 H73 DT B 23 13.458 9.394 17.992 1.00 0.27 H new ATOM 0 H6 DT B 23 13.537 8.455 15.810 1.00 0.20 H new ATOM 575 P DT B 24 15.057 10.337 10.733 1.00 0.35 P ATOM 576 OP1 DT B 24 15.949 10.343 9.552 1.00 0.49 O ATOM 577 OP2 DT B 24 15.352 11.209 11.896 1.00 0.43 O ATOM 578 O5' DT B 24 13.551 10.623 10.243 1.00 0.37 O ATOM 579 C5' DT B 24 13.015 9.989 9.072 1.00 0.32 C ATOM 580 C4' DT B 24 11.734 10.664 8.594 1.00 0.28 C ATOM 581 O4' DT B 24 10.833 10.528 9.691 1.00 0.30 O ATOM 582 C3' DT B 24 11.897 12.139 8.275 1.00 0.34 C ATOM 583 O3' DT B 24 11.220 12.612 7.103 1.00 0.49 O ATOM 584 C2' DT B 24 11.390 12.781 9.548 1.00 0.31 C ATOM 585 C1' DT B 24 10.335 11.795 10.078 1.00 0.31 C ATOM 586 N1 DT B 24 10.123 11.723 11.531 1.00 0.30 N ATOM 587 C2 DT B 24 8.828 11.755 12.020 1.00 0.39 C ATOM 588 O2 DT B 24 7.855 11.909 11.285 1.00 0.51 O ATOM 589 N3 DT B 24 8.700 11.603 13.377 1.00 0.37 N ATOM 590 C4 DT B 24 9.733 11.449 14.280 1.00 0.31 C ATOM 591 O4 DT B 24 9.493 11.330 15.480 1.00 0.33 O ATOM 592 C5 DT B 24 11.047 11.448 13.670 1.00 0.26 C ATOM 593 C7 DT B 24 12.291 11.270 14.517 1.00 0.25 C ATOM 594 C6 DT B 24 11.190 11.598 12.347 1.00 0.25 C ATOM 0 H5' DT B 24 12.813 8.940 9.288 1.00 0.32 H new ATOM 0 H5'' DT B 24 13.757 10.013 8.274 1.00 0.32 H new ATOM 0 H4' DT B 24 11.398 10.202 7.665 1.00 0.28 H new ATOM 0 H3' DT B 24 12.926 12.384 8.012 1.00 0.34 H new ATOM 0 H2' DT B 24 12.195 12.927 10.268 1.00 0.31 H new ATOM 0 H2'' DT B 24 10.956 13.761 9.353 1.00 0.31 H new ATOM 0 H1' DT B 24 9.374 12.121 9.680 1.00 0.31 H new ATOM 0 H3 DT B 24 7.752 11.604 13.755 1.00 0.37 H new ATOM 0 H71 DT B 24 13.065 10.779 13.927 1.00 0.25 H new ATOM 0 H72 DT B 24 12.649 12.245 14.847 1.00 0.25 H new ATOM 0 H73 DT B 24 12.054 10.657 15.387 1.00 0.25 H new ATOM 0 H6 DT B 24 12.183 11.619 11.923 1.00 0.25 H new ATOM 607 P DC B 25 11.245 14.193 6.704 1.00 0.60 P ATOM 608 OP1 DC B 25 11.270 14.304 5.229 1.00 0.89 O ATOM 609 OP2 DC B 25 12.291 14.855 7.517 1.00 0.71 O ATOM 610 O5' DC B 25 9.797 14.674 7.246 1.00 0.37 O ATOM 611 C5' DC B 25 8.687 13.934 6.739 1.00 0.44 C ATOM 612 C4' DC B 25 7.295 14.295 7.272 1.00 0.45 C ATOM 613 O4' DC B 25 7.155 13.938 8.656 1.00 0.49 O ATOM 614 C3' DC B 25 6.779 15.738 7.079 1.00 0.46 C ATOM 615 O3' DC B 25 5.393 15.665 6.733 1.00 0.66 O ATOM 616 C2' DC B 25 6.885 16.246 8.523 1.00 0.52 C ATOM 617 C1' DC B 25 6.571 15.018 9.400 1.00 0.58 C ATOM 618 N1 DC B 25 7.256 15.030 10.727 1.00 0.58 N ATOM 619 C2 DC B 25 6.493 14.917 11.888 1.00 0.80 C ATOM 620 O2 DC B 25 5.269 14.836 11.838 1.00 1.08 O ATOM 621 N3 DC B 25 7.126 14.896 13.094 1.00 0.79 N ATOM 622 C4 DC B 25 8.462 14.949 13.187 1.00 0.62 C ATOM 623 N4 DC B 25 9.041 14.948 14.392 1.00 0.65 N ATOM 624 C5 DC B 25 9.272 15.014 12.012 1.00 0.58 C ATOM 625 C6 DC B 25 8.618 15.126 10.799 1.00 0.53 C ATOM 0 H5' DC B 25 8.863 12.878 6.946 1.00 0.44 H new ATOM 0 H5'' DC B 25 8.673 14.049 5.655 1.00 0.44 H new ATOM 0 H4' DC B 25 6.661 13.696 6.618 1.00 0.45 H new ATOM 0 H3' DC B 25 7.295 16.335 6.327 1.00 0.46 H new ATOM 0 H2' DC B 25 7.881 16.637 8.732 1.00 0.52 H new ATOM 0 H2'' DC B 25 6.179 17.056 8.710 1.00 0.52 H new ATOM 0 HO3' DC B 25 5.039 16.570 6.606 1.00 0.66 H new ATOM 0 H1' DC B 25 5.501 14.965 9.599 1.00 0.58 H new ATOM 0 H41 DC B 25 10.057 14.988 14.470 1.00 0.65 H new ATOM 0 H42 DC B 25 8.466 14.907 15.234 1.00 0.65 H new ATOM 0 H5 DC B 25 10.350 14.977 12.069 1.00 0.58 H new ATOM 0 H6 DC B 25 9.190 15.291 9.898 1.00 0.53 H new TER 638 DC B 25 HETATM 639 CA AR1 A 12 9.700 3.529 9.439 1.00 0.24 C HETATM 640 OA AR1 A 12 10.202 3.923 8.388 1.00 0.28 O HETATM 641 N1 AR1 A 12 10.277 2.692 10.306 1.00 0.21 N HETATM 642 C11 AR1 A 12 11.598 2.149 10.179 1.00 0.22 C HETATM 643 N21 AR1 A 12 12.198 1.413 11.128 1.00 0.22 N HETATM 644 C31 AR1 A 12 13.471 1.164 10.763 1.00 0.25 C HETATM 645 N41 AR1 A 12 13.669 1.761 9.549 1.00 0.26 N HETATM 646 CN1 AR1 A 12 14.923 1.786 8.777 1.00 0.30 C HETATM 647 C51 AR1 A 12 12.489 2.354 9.188 1.00 0.25 C HETATM 648 C1 AR1 A 12 14.460 0.428 11.575 1.00 0.25 C HETATM 649 O1 AR1 A 12 15.634 0.365 11.223 1.00 0.27 O HETATM 650 N2 AR1 A 12 13.942 -0.284 12.595 1.00 0.24 N HETATM 651 C12 AR1 A 12 14.649 -1.198 13.439 1.00 0.22 C HETATM 652 N22 AR1 A 12 14.061 -2.003 14.349 1.00 0.23 N HETATM 653 C32 AR1 A 12 14.996 -2.661 15.046 1.00 0.22 C HETATM 654 N42 AR1 A 12 16.208 -2.260 14.541 1.00 0.21 N HETATM 655 CN2 AR1 A 12 17.527 -2.737 14.962 1.00 0.22 C HETATM 656 C52 AR1 A 12 15.976 -1.355 13.545 1.00 0.22 C HETATM 657 C2 AR1 A 12 14.739 -3.460 16.258 1.00 0.22 C HETATM 658 O2 AR1 A 12 15.681 -3.760 16.983 1.00 0.21 O HETATM 659 N3 AR1 A 12 13.490 -3.935 16.444 1.00 0.22 N HETATM 660 C13 AR1 A 12 13.100 -4.807 17.523 1.00 0.21 C HETATM 661 N23 AR1 A 12 11.905 -5.435 17.637 1.00 0.20 N HETATM 662 C33 AR1 A 12 11.843 -6.074 18.812 1.00 0.21 C HETATM 663 N43 AR1 A 12 13.016 -5.831 19.469 1.00 0.22 N HETATM 664 CN3 AR1 A 12 13.374 -6.266 20.828 1.00 0.23 C HETATM 665 C53 AR1 A 12 13.786 -5.063 18.654 1.00 0.22 C HETATM 666 C3 AR1 A 12 10.778 -6.968 19.271 1.00 0.22 C HETATM 667 O3 AR1 A 12 10.919 -7.534 20.351 1.00 0.26 O HETATM 668 NT AR1 A 12 9.760 -7.236 18.433 1.00 0.22 N HETATM 669 C1T AR1 A 12 8.752 -8.236 18.772 1.00 0.27 C HETATM 670 C2T AR1 A 12 7.675 -7.648 19.742 1.00 0.29 C HETATM 671 N3T AR1 A 12 8.026 -8.006 21.150 1.00 0.28 N HETATM 672 CNT AR1 A 12 7.636 -7.023 22.175 1.00 0.31 C HETATM 673 CMT AR1 A 12 7.653 -9.376 21.552 1.00 0.38 C HETATM 0 HNT3 AR1 A 12 8.126 -6.071 21.971 1.00 0.31 H new HETATM 0 HNT2 AR1 A 12 6.555 -6.886 22.155 1.00 0.31 H new HETATM 0 HNT1 AR1 A 12 7.938 -7.383 23.158 1.00 0.31 H new HETATM 0 HN33 AR1 A 12 12.664 -5.850 21.542 1.00 0.23 H new HETATM 0 HN32 AR1 A 12 13.346 -7.354 20.881 1.00 0.23 H new HETATM 0 HN31 AR1 A 12 14.378 -5.917 21.069 1.00 0.23 H new HETATM 0 HN23 AR1 A 12 17.672 -2.518 16.020 1.00 0.22 H new HETATM 0 HN22 AR1 A 12 17.593 -3.813 14.801 1.00 0.22 H new HETATM 0 HN21 AR1 A 12 18.299 -2.235 14.378 1.00 0.22 H new HETATM 0 HN13 AR1 A 12 15.702 2.273 9.364 1.00 0.30 H new HETATM 0 HN12 AR1 A 12 15.228 0.766 8.545 1.00 0.30 H new HETATM 0 HN11 AR1 A 12 14.769 2.338 7.850 1.00 0.30 H new HETATM 0 HMT3 AR1 A 12 6.575 -9.503 21.456 1.00 0.38 H new HETATM 0 HMT2 AR1 A 12 8.161 -10.095 20.910 1.00 0.38 H new HETATM 0 HMT1 AR1 A 12 7.947 -9.544 22.588 1.00 0.38 H new HETATM 0 H2T2 AR1 A 12 7.624 -6.565 19.633 1.00 0.29 H new HETATM 0 H2T1 AR1 A 12 6.690 -8.041 19.490 1.00 0.29 H new HETATM 0 HNT AR1 A 12 9.045 -7.977 21.114 1.00 0.28 H new HETATM 0 HN3 AR1 A 12 12.772 -3.658 15.775 1.00 0.22 H new HETATM 0 HN2 AR1 A 12 12.948 -0.159 12.784 1.00 0.24 H new HETATM 0 HN1 AR1 A 12 9.734 2.417 11.124 1.00 0.21 H new HETATM 0 HA AR1 A 12 8.702 3.893 9.684 1.00 0.24 H new HETATM 0 H53 AR1 A 12 14.793 -4.712 18.878 1.00 0.22 H new HETATM 0 H52 AR1 A 12 16.733 -0.851 12.944 1.00 0.22 H new HETATM 0 H51 AR1 A 12 12.302 2.897 8.261 1.00 0.25 H new HETATM 702 CA AR1 B 26 9.767 -3.478 19.397 1.00 0.24 C HETATM 703 OA AR1 B 26 10.280 -3.872 20.443 1.00 0.28 O HETATM 704 N1 AR1 B 26 10.334 -2.637 18.526 1.00 0.21 N HETATM 705 C11 AR1 B 26 11.654 -2.092 18.641 1.00 0.22 C HETATM 706 N21 AR1 B 26 12.244 -1.353 17.686 1.00 0.22 N HETATM 707 C31 AR1 B 26 13.520 -1.101 18.039 1.00 0.24 C HETATM 708 N41 AR1 B 26 13.731 -1.701 19.250 1.00 0.26 N HETATM 709 CN1 AR1 B 26 14.993 -1.724 20.009 1.00 0.29 C HETATM 710 C51 AR1 B 26 12.556 -2.297 19.622 1.00 0.24 C HETATM 711 C1 AR1 B 26 14.498 -0.362 17.218 1.00 0.25 C HETATM 712 O1 AR1 B 26 15.675 -0.297 17.558 1.00 0.26 O HETATM 713 N2 AR1 B 26 13.969 0.350 16.205 1.00 0.24 N HETATM 714 C12 AR1 B 26 14.664 1.267 15.355 1.00 0.22 C HETATM 715 N22 AR1 B 26 14.066 2.072 14.453 1.00 0.22 N HETATM 716 C32 AR1 B 26 14.993 2.734 13.747 1.00 0.22 C HETATM 717 N42 AR1 B 26 16.211 2.335 14.240 1.00 0.21 N HETATM 718 CN2 AR1 B 26 17.525 2.815 13.805 1.00 0.23 C HETATM 719 C52 AR1 B 26 15.991 1.428 15.236 1.00 0.22 C HETATM 720 C2 AR1 B 26 14.721 3.534 12.539 1.00 0.22 C HETATM 721 O2 AR1 B 26 15.655 3.837 11.805 1.00 0.21 O HETATM 722 N3 AR1 B 26 13.469 4.007 12.367 1.00 0.22 N HETATM 723 C13 AR1 B 26 13.066 4.880 11.293 1.00 0.21 C HETATM 724 N23 AR1 B 26 11.869 5.505 11.193 1.00 0.20 N HETATM 725 C33 AR1 B 26 11.794 6.146 10.019 1.00 0.21 C HETATM 726 N43 AR1 B 26 12.960 5.907 9.350 1.00 0.21 N HETATM 727 CN3 AR1 B 26 13.305 6.345 7.988 1.00 0.23 C HETATM 728 C53 AR1 B 26 13.740 5.139 10.156 1.00 0.22 C HETATM 729 C3 AR1 B 26 10.721 7.039 9.572 1.00 0.22 C HETATM 730 O3 AR1 B 26 10.850 7.606 8.493 1.00 0.25 O HETATM 731 NT AR1 B 26 9.711 7.302 10.422 1.00 0.21 N HETATM 732 C1T AR1 B 26 8.698 8.300 10.094 1.00 0.25 C HETATM 733 C2T AR1 B 26 7.613 7.711 9.133 1.00 0.27 C HETATM 734 N3T AR1 B 26 7.948 8.074 7.723 1.00 0.25 N HETATM 735 CNT AR1 B 26 7.550 7.092 6.700 1.00 0.29 C HETATM 736 CMT AR1 B 26 7.568 9.443 7.325 1.00 0.36 C HETATM 0 HNT3 AR1 B 26 8.045 6.141 6.897 1.00 0.29 H new HETATM 0 HNT2 AR1 B 26 6.469 6.952 6.731 1.00 0.29 H new HETATM 0 HNT1 AR1 B 26 7.841 7.455 5.714 1.00 0.29 H new HETATM 0 HN33 AR1 B 26 12.589 5.929 7.280 1.00 0.23 H new HETATM 0 HN32 AR1 B 26 13.275 7.433 7.937 1.00 0.23 H new HETATM 0 HN31 AR1 B 26 14.307 5.998 7.737 1.00 0.23 H new HETATM 0 HN23 AR1 B 26 17.660 2.597 12.746 1.00 0.23 H new HETATM 0 HN22 AR1 B 26 17.590 3.891 13.965 1.00 0.23 H new HETATM 0 HN21 AR1 B 26 18.304 2.315 14.381 1.00 0.23 H new HETATM 0 HN13 AR1 B 26 15.767 -2.207 19.413 1.00 0.29 H new HETATM 0 HN12 AR1 B 26 15.297 -0.703 20.240 1.00 0.29 H new HETATM 0 HN11 AR1 B 26 14.850 -2.279 20.936 1.00 0.29 H new HETATM 0 HMT3 AR1 B 26 6.490 9.567 7.432 1.00 0.36 H new HETATM 0 HMT2 AR1 B 26 8.081 10.163 7.963 1.00 0.36 H new HETATM 0 HMT1 AR1 B 26 7.852 9.612 6.286 1.00 0.36 H new HETATM 0 H2T2 AR1 B 26 7.567 6.627 9.240 1.00 0.27 H new HETATM 0 H2T1 AR1 B 26 6.629 8.099 9.396 1.00 0.27 H new HETATM 0 HNT AR1 B 26 8.967 8.049 7.751 1.00 0.25 H new HETATM 0 HN3 AR1 B 26 12.759 3.728 13.044 1.00 0.22 H new HETATM 0 HN2 AR1 B 26 12.973 0.223 16.026 1.00 0.24 H new HETATM 0 HN1 AR1 B 26 9.782 -2.361 17.714 1.00 0.21 H new HETATM 0 HA AR1 B 26 8.768 -3.845 19.161 1.00 0.24 H new HETATM 0 H53 AR1 B 26 14.746 4.790 9.921 1.00 0.22 H new HETATM 0 H52 AR1 B 26 16.756 0.925 15.828 1.00 0.22 H new HETATM 0 H51 AR1 B 26 12.380 -2.842 20.549 1.00 0.24 H new CONECT 639 640 641 674 CONECT 640 639 CONECT 641 639 642 675 CONECT 642 641 643 647 CONECT 643 642 644 CONECT 644 643 645 648 CONECT 645 644 646 647 CONECT 646 645 676 677 678 CONECT 647 642 645 679 CONECT 648 644 649 650 CONECT 649 648 CONECT 650 648 651 680 CONECT 651 650 652 656 CONECT 652 651 653 CONECT 653 652 654 657 CONECT 654 653 655 656 CONECT 655 654 681 682 683 CONECT 656 651 654 684 CONECT 657 653 658 659 CONECT 658 657 CONECT 659 657 660 685 CONECT 660 659 661 665 CONECT 661 660 662 CONECT 662 661 663 666 CONECT 663 662 664 665 CONECT 664 663 686 687 688 CONECT 665 660 663 689 CONECT 666 662 667 668 CONECT 667 666 CONECT 668 666 669 690 CONECT 669 668 670 691 692 CONECT 670 669 671 693 694 CONECT 671 670 672 673 695 CONECT 672 671 696 697 698 CONECT 673 671 699 700 701 CONECT 674 639 CONECT 675 641 CONECT 676 646 CONECT 677 646 CONECT 678 646 CONECT 679 647 CONECT 680 650 CONECT 681 655 CONECT 682 655 CONECT 683 655 CONECT 684 656 CONECT 685 659 CONECT 686 664 CONECT 687 664 CONECT 688 664 CONECT 689 665 CONECT 690 668 CONECT 691 669 CONECT 692 669 CONECT 693 670 CONECT 694 670 CONECT 695 671 CONECT 696 672 CONECT 697 672 CONECT 698 672 CONECT 699 673 CONECT 700 673 CONECT 701 673 CONECT 702 703 704 737 CONECT 703 702 CONECT 704 702 705 738 CONECT 705 704 706 710 CONECT 706 705 707 CONECT 707 706 708 711 CONECT 708 707 709 710 CONECT 709 708 739 740 741 CONECT 710 705 708 742 CONECT 711 707 712 713 CONECT 712 711 CONECT 713 711 714 743 CONECT 714 713 715 719 CONECT 715 714 716 CONECT 716 715 717 720 CONECT 717 716 718 719 CONECT 718 717 744 745 746 CONECT 719 714 717 747 CONECT 720 716 721 722 CONECT 721 720 CONECT 722 720 723 748 CONECT 723 722 724 728 CONECT 724 723 725 CONECT 725 724 726 729 CONECT 726 725 727 728 CONECT 727 726 749 750 751 CONECT 728 723 726 752 CONECT 729 725 730 731 CONECT 730 729 CONECT 731 729 732 753 CONECT 732 731 733 754 755 CONECT 733 732 734 756 757 CONECT 734 733 735 736 758 CONECT 735 734 759 760 761 CONECT 736 734 762 763 764 CONECT 737 702 CONECT 738 704 CONECT 739 709 CONECT 740 709 CONECT 741 709 CONECT 742 710 CONECT 743 713 CONECT 744 718 CONECT 745 718 CONECT 746 718 CONECT 747 719 CONECT 748 722 CONECT 749 727 CONECT 750 727 CONECT 751 727 CONECT 752 728 CONECT 753 731 CONECT 754 732 CONECT 755 732 CONECT 756 733 CONECT 757 733 CONECT 758 734 CONECT 759 735 CONECT 760 735 CONECT 761 735 CONECT 762 736 CONECT 763 736 CONECT 764 736 END