HEADER DNA 26-JUL-03 1Q2T TITLE SOLUTION STRUCTURE OF D(5MCCTCTCC)4 COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-D(*(MCY)P*CP*TP*CP*TP*CP*C)-3'; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS DNA SOLUTION STRUCTURE; I-MOTIF; PROTONATED CYTIDINE; KEYWDS 2 HEMIPROTONATED BASE-PAIRS EXPDTA SOLUTION NMR AUTHOR J.-L.LEROY REVDAT 2 24-FEB-09 1Q2T 1 VERSN REVDAT 1 23-SEP-03 1Q2T 0 JRNL AUTH J.-L.LEROY JRNL TITL T.T PAIR INTERCALATION AND DUPLEX INTER-CONVERSION JRNL TITL 2 WITHIN I-MOTIF TETRAMERS JRNL REF J.MOL.BIOL. V. 333 125 2003 JRNL REFN ISSN 0022-2836 JRNL PMID 14516748 JRNL DOI 10.1016/S0022-2836(03)00945-8 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH S.NONIN,J.-L.LEROY REMARK 1 TITL STRUCTURE AND CONVERSION KINETICS OF A BI-STABLE REMARK 1 TITL 2 DNA I-MOTIF: BROKEN SYMMETRY IN THE [D(5MCCTCC)]4 REMARK 1 TITL 3 TETRAMER. REMARK 1 REF J.MOL.BIOL. V. 261 399 1996 REMARK 1 REFN ISSN 0022-2836 REMARK 1 DOI 10.1006/JMBI.1996.0472 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: THE STRUCTURE IS BASED ON A TOTAL OF REMARK 3 172 RESTRAINTS. 30 BASE-PAIRING RESTRAINTS FROM HYDROGEN REMARK 3 BONDS, 78 NOE-DISTANCE RESTRAINTS AND 36 REPULSIVE RESTRAINTS REMARK 3 REFLECTING THE ABSENCE OF NOE REMARK 4 REMARK 4 1Q2T COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 31-JUL-03. REMARK 100 THE RCSB ID CODE IS RCSB019844. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 273 REMARK 210 PH : 4.4 REMARK 210 IONIC STRENGTH : NO ADDED COUNTER-IONS REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 10MM DNA STRAND REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 2D TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR 3.851 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 10 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : BACK CALCULATED DATA AGREE REMARK 210 WITH EXPERIMENTAL NOESY REMARK 210 SPECTRUM REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 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 DC A 2 O4' - C1' - N1 ANGL. DEV. = 2.4 DEGREES REMARK 500 DC A 2 C2 - N3 - C4 ANGL. DEV. = 3.3 DEGREES REMARK 500 DT A 3 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES REMARK 500 DC A 4 O4' - C1' - N1 ANGL. DEV. = 2.0 DEGREES REMARK 500 DC A 4 C2 - N3 - C4 ANGL. DEV. = 3.5 DEGREES REMARK 500 DC A 4 N1 - C2 - O2 ANGL. DEV. = 4.0 DEGREES REMARK 500 DT A 5 O4' - C1' - N1 ANGL. DEV. = 1.9 DEGREES REMARK 500 DC A 6 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES REMARK 500 DC A 6 C2 - N3 - C4 ANGL. DEV. = 3.2 DEGREES REMARK 500 DC A 7 O4' - C1' - N1 ANGL. DEV. = 3.1 DEGREES REMARK 500 DC A 7 C2 - N3 - C4 ANGL. DEV. = 3.2 DEGREES REMARK 500 DC B 2 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES REMARK 500 DC B 2 C2 - N3 - C4 ANGL. DEV. = 3.3 DEGREES REMARK 500 DC B 2 N1 - C2 - O2 ANGL. DEV. = 3.9 DEGREES REMARK 500 DT B 3 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES REMARK 500 DC B 4 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES REMARK 500 DC B 4 N1 - C2 - O2 ANGL. DEV. = 3.8 DEGREES REMARK 500 DT B 5 O4' - C1' - N1 ANGL. DEV. = 2.8 DEGREES REMARK 500 DC B 6 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES REMARK 500 DC B 6 C2 - N3 - C4 ANGL. DEV. = 3.1 DEGREES REMARK 500 DC B 7 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES REMARK 500 DC B 7 C2 - N3 - C4 ANGL. DEV. = 3.2 DEGREES REMARK 500 DC C 2 O4' - C1' - N1 ANGL. DEV. = 2.4 DEGREES REMARK 500 DT C 3 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES REMARK 500 DC C 4 O4' - C1' - N1 ANGL. DEV. = 2.0 DEGREES REMARK 500 DT C 5 O4' - C1' - N1 ANGL. DEV. = 2.0 DEGREES REMARK 500 DC C 6 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES REMARK 500 DC C 7 O4' - C1' - N1 ANGL. DEV. = 2.9 DEGREES REMARK 500 DC D 2 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES REMARK 500 DT D 3 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES REMARK 500 DC D 4 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES REMARK 500 DT D 5 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES REMARK 500 DC D 6 O4' - C1' - N1 ANGL. DEV. = 3.3 DEGREES REMARK 500 DC D 7 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 DC B 2 0.07 SIDE_CHAIN REMARK 500 DC D 2 0.06 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1RME RELATED DB: PDB REMARK 900 I-MOTIF TETRAMER OF 5MCCTCC DBREF 1Q2T A 1 7 PDB 1Q2T 1Q2T 1 7 DBREF 1Q2T B 1 7 PDB 1Q2T 1Q2T 1 7 DBREF 1Q2T C 1 7 PDB 1Q2T 1Q2T 1 7 DBREF 1Q2T D 1 7 PDB 1Q2T 1Q2T 1 7 SEQRES 1 A 7 MCY DC DT DC DT DC DC SEQRES 1 B 7 MCY DC DT DC DT DC DC SEQRES 1 C 7 MCY DC DT DC DT DC DC SEQRES 1 D 7 MCY DC DT DC DT DC DC MODRES 1Q2T MCY A 1 DC 5-METHYL-2'-DEOXYCYTIDINE MODRES 1Q2T MCY B 1 DC 5-METHYL-2'-DEOXYCYTIDINE MODRES 1Q2T MCY C 1 DC 5-METHYL-2'-DEOXYCYTIDINE MODRES 1Q2T MCY D 1 DC 5-METHYL-2'-DEOXYCYTIDINE HET MCY A 1 31 HET MCY B 1 31 HET MCY C 1 31 HET MCY D 1 31 HETNAM MCY 5-METHYL-2'-DEOXYCYTIDINE FORMUL 1 MCY 4(C10 H15 N3 O4) LINK O3' MCY A 1 P DC A 2 1555 1555 1.61 LINK O3' MCY B 1 P DC B 2 1555 1555 1.61 LINK O3' MCY C 1 P DC C 2 1555 1555 1.61 LINK O3' MCY D 1 P DC D 2 1555 1555 1.61 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 HETATM 1 N1 MCY A 1 15.070 2.744 -2.208 1.00 0.00 N HETATM 2 C2 MCY A 1 15.020 1.416 -1.843 1.00 0.00 C HETATM 3 N3 MCY A 1 15.008 1.131 -0.519 1.00 0.00 N HETATM 4 C4 MCY A 1 15.046 2.100 0.411 1.00 0.00 C HETATM 5 C5 MCY A 1 15.099 3.398 0.041 1.00 0.00 C HETATM 6 C6 MCY A 1 15.108 3.718 -1.263 1.00 0.00 C HETATM 7 O2 MCY A 1 14.983 0.530 -2.695 1.00 0.00 O HETATM 8 N4 MCY A 1 15.015 1.768 1.698 1.00 0.00 N HETATM 9 C1' MCY A 1 15.060 3.070 -3.648 1.00 0.00 C HETATM 10 C2' MCY A 1 13.637 3.285 -4.126 1.00 0.00 C HETATM 11 C3' MCY A 1 13.539 4.716 -4.588 1.00 0.00 C HETATM 12 C4' MCY A 1 14.950 5.280 -4.508 1.00 0.00 C HETATM 13 O4' MCY A 1 15.804 4.280 -3.910 1.00 0.00 O HETATM 14 O3' MCY A 1 13.032 4.795 -5.927 1.00 0.00 O HETATM 15 C5' MCY A 1 14.973 6.572 -3.693 1.00 0.00 C HETATM 16 O5' MCY A 1 14.777 6.321 -2.299 1.00 0.00 O HETATM 17 C5A MCY A 1 15.168 4.495 1.103 1.00 0.00 C HETATM 18 H6 MCY A 1 15.130 4.766 -1.568 1.00 0.00 H HETATM 19 HN41 MCY A 1 15.034 2.486 2.409 1.00 0.00 H HETATM 20 HN42 MCY A 1 14.965 0.795 1.961 1.00 0.00 H HETATM 21 H1' MCY A 1 15.506 2.246 -4.204 1.00 0.00 H HETATM 22 H2' MCY A 1 12.938 3.110 -3.308 1.00 0.00 H HETATM 23 H2'' MCY A 1 13.417 2.611 -4.953 1.00 0.00 H HETATM 24 H3' MCY A 1 12.889 5.270 -3.907 1.00 0.00 H HETATM 25 H4' MCY A 1 15.305 5.490 -5.517 1.00 0.00 H HETATM 26 H5' MCY A 1 15.936 7.063 -3.834 1.00 0.00 H HETATM 27 H5'' MCY A 1 14.182 7.232 -4.050 1.00 0.00 H HETATM 28 HO5' MCY A 1 14.067 6.894 -2.002 1.00 0.00 H HETATM 29 H5A1 MCY A 1 14.243 4.501 1.680 1.00 0.00 H HETATM 30 H5A2 MCY A 1 15.300 5.463 0.618 1.00 0.00 H HETATM 31 H5A3 MCY A 1 16.010 4.305 1.768 1.00 0.00 H ATOM 32 P DC A 2 11.527 4.332 -6.278 1.00 0.00 P ATOM 33 OP1 DC A 2 11.233 3.091 -5.527 1.00 0.00 O ATOM 34 OP2 DC A 2 11.372 4.354 -7.750 1.00 0.00 O ATOM 35 O5' DC A 2 10.632 5.529 -5.664 1.00 0.00 O ATOM 36 C5' DC A 2 9.415 5.264 -4.950 1.00 0.00 C ATOM 37 C4' DC A 2 8.539 4.237 -5.671 1.00 0.00 C ATOM 38 O4' DC A 2 8.591 2.962 -4.993 1.00 0.00 O ATOM 39 C3' DC A 2 7.084 4.688 -5.728 1.00 0.00 C ATOM 40 O3' DC A 2 6.700 5.003 -7.074 1.00 0.00 O ATOM 41 C2' DC A 2 6.278 3.539 -5.184 1.00 0.00 C ATOM 42 C1' DC A 2 7.264 2.515 -4.649 1.00 0.00 C ATOM 43 N1 DC A 2 7.130 2.354 -3.181 1.00 0.00 N ATOM 44 C2 DC A 2 7.316 1.074 -2.663 1.00 0.00 C ATOM 45 O2 DC A 2 7.577 0.105 -3.374 1.00 0.00 O ATOM 46 N3 DC A 2 7.182 0.953 -1.296 1.00 0.00 N ATOM 47 C4 DC A 2 6.883 2.000 -0.481 1.00 0.00 C ATOM 48 N4 DC A 2 6.807 1.764 0.829 1.00 0.00 N ATOM 49 C5 DC A 2 6.694 3.295 -1.026 1.00 0.00 C ATOM 50 C6 DC A 2 6.829 3.434 -2.368 1.00 0.00 C ATOM 51 H5' DC A 2 8.859 6.196 -4.844 1.00 0.00 H ATOM 52 H5'' DC A 2 9.661 4.885 -3.958 1.00 0.00 H ATOM 53 H4' DC A 2 8.907 4.109 -6.688 1.00 0.00 H ATOM 54 H3' DC A 2 6.940 5.560 -5.084 1.00 0.00 H ATOM 55 H2' DC A 2 5.631 3.890 -4.385 1.00 0.00 H ATOM 56 H2'' DC A 2 5.679 3.096 -5.979 1.00 0.00 H ATOM 57 H1' DC A 2 7.072 1.557 -5.130 1.00 0.00 H ATOM 58 H41 DC A 2 6.614 2.523 1.475 1.00 0.00 H ATOM 59 H42 DC A 2 6.922 0.821 1.173 1.00 0.00 H ATOM 60 H5 DC A 2 6.409 4.130 -0.397 1.00 0.00 H ATOM 61 H6 DC A 2 6.703 4.420 -2.815 1.00 0.00 H ATOM 62 HN3 DC A 2 7.325 0.039 -0.901 1.00 0.00 H ATOM 63 P DT A 3 5.165 5.325 -7.454 1.00 0.00 P ATOM 64 OP1 DT A 3 5.160 6.302 -8.565 1.00 0.00 O ATOM 65 OP2 DT A 3 4.427 5.625 -6.205 1.00 0.00 O ATOM 66 O5' DT A 3 4.647 3.910 -8.026 1.00 0.00 O ATOM 67 C5' DT A 3 3.336 3.424 -7.715 1.00 0.00 C ATOM 68 C4' DT A 3 3.295 1.897 -7.704 1.00 0.00 C ATOM 69 O4' DT A 3 4.271 1.365 -6.778 1.00 0.00 O ATOM 70 C3' DT A 3 1.920 1.393 -7.290 1.00 0.00 C ATOM 71 O3' DT A 3 1.240 0.779 -8.392 1.00 0.00 O ATOM 72 C2' DT A 3 2.159 0.401 -6.182 1.00 0.00 C ATOM 73 C1' DT A 3 3.639 0.476 -5.829 1.00 0.00 C ATOM 74 N1 DT A 3 3.814 0.970 -4.443 1.00 0.00 N ATOM 75 C2 DT A 3 4.015 0.032 -3.443 1.00 0.00 C ATOM 76 O2 DT A 3 4.124 -1.168 -3.681 1.00 0.00 O ATOM 77 N3 DT A 3 4.098 0.527 -2.154 1.00 0.00 N ATOM 78 C4 DT A 3 3.997 1.852 -1.781 1.00 0.00 C ATOM 79 O4 DT A 3 4.053 2.168 -0.594 1.00 0.00 O ATOM 80 C5 DT A 3 3.799 2.762 -2.890 1.00 0.00 C ATOM 81 C7 DT A 3 3.674 4.262 -2.621 1.00 0.00 C ATOM 82 C6 DT A 3 3.719 2.306 -4.158 1.00 0.00 C ATOM 83 H5' DT A 3 2.633 3.794 -8.462 1.00 0.00 H ATOM 84 H5'' DT A 3 3.040 3.796 -6.734 1.00 0.00 H ATOM 85 H4' DT A 3 3.521 1.529 -8.705 1.00 0.00 H ATOM 86 H3' DT A 3 1.328 2.227 -6.906 1.00 0.00 H ATOM 87 H2' DT A 3 1.557 0.661 -5.315 1.00 0.00 H ATOM 88 H2'' DT A 3 1.904 -0.603 -6.520 1.00 0.00 H ATOM 89 H1' DT A 3 4.081 -0.516 -5.916 1.00 0.00 H ATOM 90 H3 DT A 3 4.268 -0.140 -1.416 1.00 0.00 H ATOM 91 H71 DT A 3 2.645 4.576 -2.796 1.00 0.00 H ATOM 92 H72 DT A 3 4.338 4.810 -3.287 1.00 0.00 H ATOM 93 H73 DT A 3 3.945 4.470 -1.586 1.00 0.00 H ATOM 94 H6 DT A 3 3.615 3.017 -4.979 1.00 0.00 H ATOM 95 P DC A 4 -0.276 1.189 -8.753 1.00 0.00 P ATOM 96 OP1 DC A 4 -0.680 0.445 -9.967 1.00 0.00 O ATOM 97 OP2 DC A 4 -0.376 2.666 -8.727 1.00 0.00 O ATOM 98 O5' DC A 4 -1.109 0.607 -7.500 1.00 0.00 O ATOM 99 C5' DC A 4 -2.219 -0.277 -7.700 1.00 0.00 C ATOM 100 C4' DC A 4 -1.957 -1.659 -7.102 1.00 0.00 C ATOM 101 O4' DC A 4 -1.094 -1.571 -5.945 1.00 0.00 O ATOM 102 C3' DC A 4 -3.257 -2.327 -6.672 1.00 0.00 C ATOM 103 O3' DC A 4 -3.548 -3.453 -7.507 1.00 0.00 O ATOM 104 C2' DC A 4 -3.046 -2.753 -5.244 1.00 0.00 C ATOM 105 C1' DC A 4 -1.755 -2.113 -4.780 1.00 0.00 C ATOM 106 N1 DC A 4 -2.025 -1.041 -3.797 1.00 0.00 N ATOM 107 C2 DC A 4 -1.806 -1.320 -2.449 1.00 0.00 C ATOM 108 O2 DC A 4 -1.564 -2.450 -2.032 1.00 0.00 O ATOM 109 N3 DC A 4 -1.966 -0.260 -1.586 1.00 0.00 N ATOM 110 C4 DC A 4 -2.339 0.974 -1.985 1.00 0.00 C ATOM 111 N4 DC A 4 -2.457 1.925 -1.058 1.00 0.00 N ATOM 112 C5 DC A 4 -2.575 1.231 -3.344 1.00 0.00 C ATOM 113 C6 DC A 4 -2.407 0.213 -4.221 1.00 0.00 C ATOM 114 H5' DC A 4 -2.401 -0.383 -8.770 1.00 0.00 H ATOM 115 H5'' DC A 4 -3.104 0.155 -7.233 1.00 0.00 H ATOM 116 H4' DC A 4 -1.473 -2.282 -7.854 1.00 0.00 H ATOM 117 H3' DC A 4 -4.080 -1.601 -6.713 1.00 0.00 H ATOM 118 H2' DC A 4 -3.867 -2.409 -4.628 1.00 0.00 H ATOM 119 H2'' DC A 4 -2.966 -3.839 -5.186 1.00 0.00 H ATOM 120 H1' DC A 4 -1.120 -2.871 -4.322 1.00 0.00 H ATOM 121 H41 DC A 4 -2.721 2.863 -1.324 1.00 0.00 H ATOM 122 H42 DC A 4 -2.281 1.707 -0.086 1.00 0.00 H ATOM 123 H5 DC A 4 -2.882 2.201 -3.662 1.00 0.00 H ATOM 124 H6 DC A 4 -2.579 0.389 -5.285 1.00 0.00 H ATOM 125 HN3 DC A 4 -1.730 -0.413 -0.628 1.00 0.00 H ATOM 126 P DT A 5 -5.053 -3.752 -7.991 1.00 0.00 P ATOM 127 OP1 DT A 5 -5.133 -5.172 -8.402 1.00 0.00 O ATOM 128 OP2 DT A 5 -5.457 -2.686 -8.935 1.00 0.00 O ATOM 129 O5' DT A 5 -5.897 -3.567 -6.632 1.00 0.00 O ATOM 130 C5' DT A 5 -6.838 -4.559 -6.214 1.00 0.00 C ATOM 131 C4' DT A 5 -6.284 -5.430 -5.084 1.00 0.00 C ATOM 132 O4' DT A 5 -5.162 -4.790 -4.429 1.00 0.00 O ATOM 133 C3' DT A 5 -7.355 -5.695 -4.037 1.00 0.00 C ATOM 134 O3' DT A 5 -7.677 -7.090 -3.985 1.00 0.00 O ATOM 135 C2' DT A 5 -6.777 -5.228 -2.728 1.00 0.00 C ATOM 136 C1' DT A 5 -5.473 -4.525 -3.042 1.00 0.00 C ATOM 137 N1 DT A 5 -5.546 -3.060 -2.802 1.00 0.00 N ATOM 138 C2 DT A 5 -5.191 -2.601 -1.545 1.00 0.00 C ATOM 139 O2 DT A 5 -4.889 -3.363 -0.628 1.00 0.00 O ATOM 140 N3 DT A 5 -5.193 -1.228 -1.377 1.00 0.00 N ATOM 141 C4 DT A 5 -5.510 -0.288 -2.330 1.00 0.00 C ATOM 142 O4 DT A 5 -5.465 0.911 -2.062 1.00 0.00 O ATOM 143 C5 DT A 5 -5.871 -0.846 -3.608 1.00 0.00 C ATOM 144 C7 DT A 5 -6.215 0.094 -4.756 1.00 0.00 C ATOM 145 C6 DT A 5 -5.882 -2.183 -3.808 1.00 0.00 C ATOM 146 H5' DT A 5 -7.085 -5.197 -7.063 1.00 0.00 H ATOM 147 H5'' DT A 5 -7.745 -4.061 -5.871 1.00 0.00 H ATOM 148 H4' DT A 5 -5.953 -6.381 -5.501 1.00 0.00 H ATOM 149 H3' DT A 5 -8.251 -5.110 -4.268 1.00 0.00 H ATOM 150 H2' DT A 5 -7.458 -4.554 -2.236 1.00 0.00 H ATOM 151 H2'' DT A 5 -6.585 -6.088 -2.088 1.00 0.00 H ATOM 152 H1' DT A 5 -4.700 -4.947 -2.403 1.00 0.00 H ATOM 153 H3 DT A 5 -4.934 -0.879 -0.476 1.00 0.00 H ATOM 154 H71 DT A 5 -5.578 -0.129 -5.612 1.00 0.00 H ATOM 155 H72 DT A 5 -6.052 1.126 -4.443 1.00 0.00 H ATOM 156 H73 DT A 5 -7.260 -0.040 -5.035 1.00 0.00 H ATOM 157 H6 DT A 5 -6.146 -2.571 -4.794 1.00 0.00 H ATOM 158 P DC A 6 -8.834 -7.629 -3.005 1.00 0.00 P ATOM 159 OP1 DC A 6 -8.303 -7.649 -1.624 1.00 0.00 O ATOM 160 OP2 DC A 6 -9.404 -8.861 -3.596 1.00 0.00 O ATOM 161 O5' DC A 6 -9.938 -6.463 -3.104 1.00 0.00 O ATOM 162 C5' DC A 6 -11.310 -6.733 -2.816 1.00 0.00 C ATOM 163 C4' DC A 6 -11.624 -6.527 -1.336 1.00 0.00 C ATOM 164 O4' DC A 6 -10.893 -5.397 -0.807 1.00 0.00 O ATOM 165 C3' DC A 6 -13.110 -6.271 -1.140 1.00 0.00 C ATOM 166 O3' DC A 6 -13.706 -7.304 -0.349 1.00 0.00 O ATOM 167 C2' DC A 6 -13.217 -4.935 -0.458 1.00 0.00 C ATOM 168 C1' DC A 6 -11.801 -4.406 -0.281 1.00 0.00 C ATOM 169 N1 DC A 6 -11.642 -3.122 -0.989 1.00 0.00 N ATOM 170 C2 DC A 6 -11.369 -2.001 -0.212 1.00 0.00 C ATOM 171 O2 DC A 6 -11.235 -2.063 1.009 1.00 0.00 O ATOM 172 N3 DC A 6 -11.247 -0.812 -0.896 1.00 0.00 N ATOM 173 C4 DC A 6 -11.379 -0.714 -2.249 1.00 0.00 C ATOM 174 N4 DC A 6 -11.268 0.498 -2.794 1.00 0.00 N ATOM 175 C5 DC A 6 -11.649 -1.875 -3.027 1.00 0.00 C ATOM 176 C6 DC A 6 -11.778 -3.049 -2.364 1.00 0.00 C ATOM 177 H5' DC A 6 -11.535 -7.765 -3.088 1.00 0.00 H ATOM 178 H5'' DC A 6 -11.934 -6.065 -3.410 1.00 0.00 H ATOM 179 H4' DC A 6 -11.342 -7.423 -0.785 1.00 0.00 H ATOM 180 H3' DC A 6 -13.602 -6.219 -2.114 1.00 0.00 H ATOM 181 H2' DC A 6 -13.796 -4.249 -1.076 1.00 0.00 H ATOM 182 H2'' DC A 6 -13.696 -5.052 0.509 1.00 0.00 H ATOM 183 H1' DC A 6 -11.595 -4.253 0.785 1.00 0.00 H ATOM 184 H41 DC A 6 -11.375 0.619 -3.790 1.00 0.00 H ATOM 185 H42 DC A 6 -11.085 1.298 -2.202 1.00 0.00 H ATOM 186 H5 DC A 6 -11.725 -1.829 -4.113 1.00 0.00 H ATOM 187 H6 DC A 6 -12.016 -3.951 -2.926 1.00 0.00 H ATOM 188 HN3 DC A 6 -11.042 0.010 -0.351 1.00 0.00 H ATOM 189 P DC A 7 -14.626 -8.430 -1.043 1.00 0.00 P ATOM 190 OP1 DC A 7 -15.407 -9.108 0.016 1.00 0.00 O ATOM 191 OP2 DC A 7 -13.773 -9.226 -1.953 1.00 0.00 O ATOM 192 O5' DC A 7 -15.634 -7.546 -1.942 1.00 0.00 O ATOM 193 C5' DC A 7 -17.031 -7.469 -1.636 1.00 0.00 C ATOM 194 C4' DC A 7 -17.277 -6.908 -0.236 1.00 0.00 C ATOM 195 O4' DC A 7 -16.599 -5.644 -0.062 1.00 0.00 O ATOM 196 C3' DC A 7 -18.764 -6.690 0.008 1.00 0.00 C ATOM 197 O3' DC A 7 -19.252 -7.583 1.015 1.00 0.00 O ATOM 198 C2' DC A 7 -18.907 -5.255 0.446 1.00 0.00 C ATOM 199 C1' DC A 7 -17.510 -4.654 0.459 1.00 0.00 C ATOM 200 N1 DC A 7 -17.464 -3.406 -0.337 1.00 0.00 N ATOM 201 C2 DC A 7 -17.762 -2.219 0.331 1.00 0.00 C ATOM 202 O2 DC A 7 -18.019 -2.184 1.535 1.00 0.00 O ATOM 203 N3 DC A 7 -17.720 -1.072 -0.432 1.00 0.00 N ATOM 204 C4 DC A 7 -17.403 -1.070 -1.758 1.00 0.00 C ATOM 205 N4 DC A 7 -17.387 0.105 -2.389 1.00 0.00 N ATOM 206 C5 DC A 7 -17.096 -2.290 -2.424 1.00 0.00 C ATOM 207 C6 DC A 7 -17.139 -3.430 -1.684 1.00 0.00 C ATOM 208 H5' DC A 7 -17.464 -8.468 -1.700 1.00 0.00 H ATOM 209 H5'' DC A 7 -17.518 -6.824 -2.367 1.00 0.00 H ATOM 210 H4' DC A 7 -16.898 -7.616 0.501 1.00 0.00 H ATOM 211 H3' DC A 7 -19.315 -6.842 -0.923 1.00 0.00 H ATOM 212 HO3' DC A 7 -20.197 -7.434 1.096 1.00 0.00 H ATOM 213 H2' DC A 7 -19.540 -4.713 -0.256 1.00 0.00 H ATOM 214 H2'' DC A 7 -19.339 -5.213 1.446 1.00 0.00 H ATOM 215 H1' DC A 7 -17.233 -4.427 1.488 1.00 0.00 H ATOM 216 H41 DC A 7 -17.153 0.149 -3.370 1.00 0.00 H ATOM 217 H42 DC A 7 -17.603 0.952 -1.881 1.00 0.00 H ATOM 218 H5 DC A 7 -16.815 -2.304 -3.479 1.00 0.00 H ATOM 219 H6 DC A 7 -16.913 -4.384 -2.161 1.00 0.00 H ATOM 220 HN3 DC A 7 -17.942 -0.206 0.033 1.00 0.00 H TER 221 DC A 7 HETATM 222 N1 MCY B 1 -14.560 2.749 -2.080 1.00 0.00 N HETATM 223 C2 MCY B 1 -14.832 2.305 -0.803 1.00 0.00 C HETATM 224 N3 MCY B 1 -14.841 0.963 -0.594 1.00 0.00 N HETATM 225 C4 MCY B 1 -14.599 0.093 -1.590 1.00 0.00 C HETATM 226 C5 MCY B 1 -14.340 0.544 -2.835 1.00 0.00 C HETATM 227 C6 MCY B 1 -14.310 1.867 -3.070 1.00 0.00 C HETATM 228 O2 MCY B 1 -15.046 3.099 0.108 1.00 0.00 O HETATM 229 N4 MCY B 1 -14.593 -1.217 -1.333 1.00 0.00 N HETATM 230 C1' MCY B 1 -14.583 4.204 -2.352 1.00 0.00 C HETATM 231 C2' MCY B 1 -13.176 4.768 -2.355 1.00 0.00 C HETATM 232 C3' MCY B 1 -12.950 5.417 -3.683 1.00 0.00 C HETATM 233 C4' MCY B 1 -14.227 5.193 -4.483 1.00 0.00 C HETATM 234 O4' MCY B 1 -15.164 4.476 -3.646 1.00 0.00 O HETATM 235 O3' MCY B 1 -12.678 6.815 -3.527 1.00 0.00 O HETATM 236 C5' MCY B 1 -13.941 4.411 -5.764 1.00 0.00 C HETATM 237 O5' MCY B 1 -13.261 3.182 -5.494 1.00 0.00 O HETATM 238 C5A MCY B 1 -14.160 -0.441 -3.988 1.00 0.00 C HETATM 239 H6 MCY B 1 -14.026 2.239 -4.047 1.00 0.00 H HETATM 240 HN41 MCY B 1 -14.394 -1.876 -2.071 1.00 0.00 H HETATM 241 HN42 MCY B 1 -14.787 -1.549 -0.398 1.00 0.00 H HETATM 242 H1' MCY B 1 -15.172 4.703 -1.584 1.00 0.00 H HETATM 243 H2' MCY B 1 -12.460 3.959 -2.227 1.00 0.00 H HETATM 244 H2'' MCY B 1 -13.066 5.507 -1.565 1.00 0.00 H HETATM 245 H3' MCY B 1 -12.109 4.926 -4.171 1.00 0.00 H HETATM 246 H4' MCY B 1 -14.656 6.159 -4.745 1.00 0.00 H HETATM 247 H5' MCY B 1 -14.885 4.192 -6.264 1.00 0.00 H HETATM 248 H5'' MCY B 1 -13.324 5.022 -6.423 1.00 0.00 H HETATM 249 HO5' MCY B 1 -12.495 3.394 -4.957 1.00 0.00 H HETATM 250 H5A1 MCY B 1 -13.277 -0.167 -4.566 1.00 0.00 H HETATM 251 H5A2 MCY B 1 -15.039 -0.409 -4.632 1.00 0.00 H HETATM 252 H5A3 MCY B 1 -14.038 -1.450 -3.596 1.00 0.00 H ATOM 253 P DC B 2 -11.296 7.455 -4.057 1.00 0.00 P ATOM 254 OP1 DC B 2 -11.058 8.716 -3.318 1.00 0.00 O ATOM 255 OP2 DC B 2 -11.328 7.463 -5.537 1.00 0.00 O ATOM 256 O5' DC B 2 -10.195 6.377 -3.582 1.00 0.00 O ATOM 257 C5' DC B 2 -8.809 6.734 -3.490 1.00 0.00 C ATOM 258 C4' DC B 2 -8.343 6.807 -2.036 1.00 0.00 C ATOM 259 O4' DC B 2 -8.932 5.742 -1.260 1.00 0.00 O ATOM 260 C3' DC B 2 -6.827 6.688 -1.938 1.00 0.00 C ATOM 261 O3' DC B 2 -6.253 7.897 -1.427 1.00 0.00 O ATOM 262 C2' DC B 2 -6.558 5.533 -1.007 1.00 0.00 C ATOM 263 C1' DC B 2 -7.906 4.932 -0.648 1.00 0.00 C ATOM 264 N1 DC B 2 -8.009 3.530 -1.107 1.00 0.00 N ATOM 265 C2 DC B 2 -7.995 2.537 -0.126 1.00 0.00 C ATOM 266 O2 DC B 2 -7.888 2.786 1.072 1.00 0.00 O ATOM 267 N3 DC B 2 -8.158 1.252 -0.579 1.00 0.00 N ATOM 268 C4 DC B 2 -8.340 0.942 -1.890 1.00 0.00 C ATOM 269 N4 DC B 2 -8.725 -0.282 -2.178 1.00 0.00 N ATOM 270 C5 DC B 2 -8.336 1.956 -2.874 1.00 0.00 C ATOM 271 C6 DC B 2 -8.167 3.230 -2.451 1.00 0.00 C ATOM 272 H5' DC B 2 -8.658 7.706 -3.961 1.00 0.00 H ATOM 273 H5'' DC B 2 -8.216 5.988 -4.018 1.00 0.00 H ATOM 274 H4' DC B 2 -8.651 7.763 -1.613 1.00 0.00 H ATOM 275 H3' DC B 2 -6.412 6.465 -2.923 1.00 0.00 H ATOM 276 H2' DC B 2 -5.933 4.788 -1.498 1.00 0.00 H ATOM 277 H2'' DC B 2 -6.064 5.894 -0.107 1.00 0.00 H ATOM 278 H1' DC B 2 -8.032 4.961 0.432 1.00 0.00 H ATOM 279 H41 DC B 2 -9.043 -0.490 -3.110 1.00 0.00 H ATOM 280 H42 DC B 2 -8.662 -1.012 -1.478 1.00 0.00 H ATOM 281 H5 DC B 2 -8.422 1.707 -3.934 1.00 0.00 H ATOM 282 H6 DC B 2 -8.131 4.027 -3.188 1.00 0.00 H ATOM 283 HN3 DC B 2 -8.118 0.519 0.099 1.00 0.00 H ATOM 284 P DT B 3 -4.771 8.354 -1.863 1.00 0.00 P ATOM 285 OP1 DT B 3 -4.272 9.322 -0.860 1.00 0.00 O ATOM 286 OP2 DT B 3 -4.806 8.730 -3.294 1.00 0.00 O ATOM 287 O5' DT B 3 -3.921 6.992 -1.722 1.00 0.00 O ATOM 288 C5' DT B 3 -3.317 6.630 -0.476 1.00 0.00 C ATOM 289 C4' DT B 3 -2.107 5.723 -0.683 1.00 0.00 C ATOM 290 O4' DT B 3 -2.406 4.683 -1.638 1.00 0.00 O ATOM 291 C3' DT B 3 -0.915 6.521 -1.201 1.00 0.00 C ATOM 292 O3' DT B 3 0.193 6.429 -0.294 1.00 0.00 O ATOM 293 C2' DT B 3 -0.564 5.918 -2.538 1.00 0.00 C ATOM 294 C1' DT B 3 -1.439 4.689 -2.710 1.00 0.00 C ATOM 295 N1 DT B 3 -2.114 4.685 -4.026 1.00 0.00 N ATOM 296 C2 DT B 3 -1.673 3.768 -4.965 1.00 0.00 C ATOM 297 O2 DT B 3 -0.729 3.009 -4.749 1.00 0.00 O ATOM 298 N3 DT B 3 -2.352 3.757 -6.168 1.00 0.00 N ATOM 299 C4 DT B 3 -3.413 4.576 -6.514 1.00 0.00 C ATOM 300 O4 DT B 3 -3.941 4.482 -7.619 1.00 0.00 O ATOM 301 C5 DT B 3 -3.801 5.505 -5.474 1.00 0.00 C ATOM 302 C7 DT B 3 -4.961 6.468 -5.718 1.00 0.00 C ATOM 303 C6 DT B 3 -3.157 5.532 -4.290 1.00 0.00 C ATOM 304 H5' DT B 3 -4.050 6.108 0.138 1.00 0.00 H ATOM 305 H5'' DT B 3 -2.998 7.535 0.043 1.00 0.00 H ATOM 306 H4' DT B 3 -1.840 5.263 0.269 1.00 0.00 H ATOM 307 H3' DT B 3 -1.203 7.565 -1.336 1.00 0.00 H ATOM 308 H2' DT B 3 -0.766 6.635 -3.334 1.00 0.00 H ATOM 309 H2'' DT B 3 0.488 5.632 -2.553 1.00 0.00 H ATOM 310 H1' DT B 3 -0.818 3.799 -2.629 1.00 0.00 H ATOM 311 H3 DT B 3 -2.057 3.075 -6.851 1.00 0.00 H ATOM 312 H71 DT B 3 -5.417 6.252 -6.685 1.00 0.00 H ATOM 313 H72 DT B 3 -4.590 7.493 -5.713 1.00 0.00 H ATOM 314 H73 DT B 3 -5.705 6.347 -4.932 1.00 0.00 H ATOM 315 H6 DT B 3 -3.472 6.243 -3.526 1.00 0.00 H ATOM 316 P DC B 4 0.201 7.251 1.094 1.00 0.00 P ATOM 317 OP1 DC B 4 -1.173 7.251 1.645 1.00 0.00 O ATOM 318 OP2 DC B 4 0.904 8.533 0.867 1.00 0.00 O ATOM 319 O5' DC B 4 1.123 6.331 2.042 1.00 0.00 O ATOM 320 C5' DC B 4 1.060 6.460 3.468 1.00 0.00 C ATOM 321 C4' DC B 4 1.560 5.201 4.175 1.00 0.00 C ATOM 322 O4' DC B 4 0.804 4.045 3.753 1.00 0.00 O ATOM 323 C3' DC B 4 3.032 4.951 3.868 1.00 0.00 C ATOM 324 O3' DC B 4 3.829 5.054 5.054 1.00 0.00 O ATOM 325 C2' DC B 4 3.107 3.560 3.295 1.00 0.00 C ATOM 326 C1' DC B 4 1.683 3.029 3.225 1.00 0.00 C ATOM 327 N1 DC B 4 1.313 2.692 1.835 1.00 0.00 N ATOM 328 C2 DC B 4 0.912 1.379 1.575 1.00 0.00 C ATOM 329 O2 DC B 4 0.871 0.512 2.447 1.00 0.00 O ATOM 330 N3 DC B 4 0.566 1.107 0.268 1.00 0.00 N ATOM 331 C4 DC B 4 0.615 2.043 -0.719 1.00 0.00 C ATOM 332 N4 DC B 4 0.287 1.661 -1.944 1.00 0.00 N ATOM 333 C5 DC B 4 1.022 3.372 -0.433 1.00 0.00 C ATOM 334 C6 DC B 4 1.361 3.655 0.845 1.00 0.00 C ATOM 335 H5' DC B 4 0.027 6.644 3.762 1.00 0.00 H ATOM 336 H5'' DC B 4 1.673 7.307 3.775 1.00 0.00 H ATOM 337 H4' DC B 4 1.439 5.328 5.250 1.00 0.00 H ATOM 338 H3' DC B 4 3.379 5.671 3.122 1.00 0.00 H ATOM 339 H2' DC B 4 3.543 3.591 2.296 1.00 0.00 H ATOM 340 H2'' DC B 4 3.709 2.923 3.943 1.00 0.00 H ATOM 341 H1' DC B 4 1.604 2.135 3.840 1.00 0.00 H ATOM 342 H41 DC B 4 0.316 2.322 -2.700 1.00 0.00 H ATOM 343 H42 DC B 4 0.033 0.698 -2.120 1.00 0.00 H ATOM 344 H5 DC B 4 1.060 4.134 -1.211 1.00 0.00 H ATOM 345 H6 DC B 4 1.686 4.664 1.097 1.00 0.00 H ATOM 346 HN3 DC B 4 0.259 0.174 0.057 1.00 0.00 H ATOM 347 P DT B 5 4.051 6.474 5.780 1.00 0.00 P ATOM 348 OP1 DT B 5 2.953 6.671 6.753 1.00 0.00 O ATOM 349 OP2 DT B 5 4.304 7.496 4.739 1.00 0.00 O ATOM 350 O5' DT B 5 5.416 6.236 6.604 1.00 0.00 O ATOM 351 C5' DT B 5 6.671 6.700 6.097 1.00 0.00 C ATOM 352 C4' DT B 5 7.369 5.632 5.256 1.00 0.00 C ATOM 353 O4' DT B 5 6.669 5.425 4.010 1.00 0.00 O ATOM 354 C3' DT B 5 8.798 6.049 4.939 1.00 0.00 C ATOM 355 O3' DT B 5 9.732 5.074 5.419 1.00 0.00 O ATOM 356 C2' DT B 5 8.874 6.165 3.440 1.00 0.00 C ATOM 357 C1' DT B 5 7.550 5.663 2.891 1.00 0.00 C ATOM 358 N1 DT B 5 6.965 6.646 1.953 1.00 0.00 N ATOM 359 C2 DT B 5 7.310 6.540 0.616 1.00 0.00 C ATOM 360 O2 DT B 5 8.088 5.681 0.204 1.00 0.00 O ATOM 361 N3 DT B 5 6.735 7.468 -0.233 1.00 0.00 N ATOM 362 C4 DT B 5 5.860 8.476 0.131 1.00 0.00 C ATOM 363 O4 DT B 5 5.407 9.247 -0.712 1.00 0.00 O ATOM 364 C5 DT B 5 5.558 8.509 1.546 1.00 0.00 C ATOM 365 C7 DT B 5 4.600 9.567 2.087 1.00 0.00 C ATOM 366 C6 DT B 5 6.107 7.617 2.395 1.00 0.00 C ATOM 367 H5' DT B 5 7.314 6.968 6.935 1.00 0.00 H ATOM 368 H5'' DT B 5 6.504 7.583 5.482 1.00 0.00 H ATOM 369 H4' DT B 5 7.386 4.695 5.814 1.00 0.00 H ATOM 370 H3' DT B 5 9.005 7.021 5.390 1.00 0.00 H ATOM 371 H2' DT B 5 9.024 7.207 3.156 1.00 0.00 H ATOM 372 H2'' DT B 5 9.692 5.555 3.060 1.00 0.00 H ATOM 373 H1' DT B 5 7.716 4.723 2.365 1.00 0.00 H ATOM 374 H3 DT B 5 6.977 7.404 -1.212 1.00 0.00 H ATOM 375 H71 DT B 5 3.696 9.083 2.456 1.00 0.00 H ATOM 376 H72 DT B 5 4.339 10.264 1.291 1.00 0.00 H ATOM 377 H73 DT B 5 5.080 10.110 2.902 1.00 0.00 H ATOM 378 H6 DT B 5 5.870 7.673 3.457 1.00 0.00 H ATOM 379 P DC B 6 10.198 5.060 6.960 1.00 0.00 P ATOM 380 OP1 DC B 6 9.025 5.379 7.807 1.00 0.00 O ATOM 381 OP2 DC B 6 11.433 5.867 7.077 1.00 0.00 O ATOM 382 O5' DC B 6 10.584 3.513 7.193 1.00 0.00 O ATOM 383 C5' DC B 6 9.572 2.539 7.475 1.00 0.00 C ATOM 384 C4' DC B 6 10.083 1.110 7.281 1.00 0.00 C ATOM 385 O4' DC B 6 9.587 0.555 6.043 1.00 0.00 O ATOM 386 C3' DC B 6 11.604 1.071 7.247 1.00 0.00 C ATOM 387 O3' DC B 6 12.130 0.384 8.388 1.00 0.00 O ATOM 388 C2' DC B 6 11.974 0.360 5.973 1.00 0.00 C ATOM 389 C1' DC B 6 10.682 0.093 5.220 1.00 0.00 C ATOM 390 N1 DC B 6 10.690 0.784 3.912 1.00 0.00 N ATOM 391 C2 DC B 6 11.252 0.100 2.834 1.00 0.00 C ATOM 392 O2 DC B 6 11.719 -1.032 2.943 1.00 0.00 O ATOM 393 N3 DC B 6 11.247 0.768 1.628 1.00 0.00 N ATOM 394 C4 DC B 6 10.729 2.020 1.474 1.00 0.00 C ATOM 395 N4 DC B 6 10.765 2.563 0.258 1.00 0.00 N ATOM 396 C5 DC B 6 10.161 2.701 2.587 1.00 0.00 C ATOM 397 C6 DC B 6 10.160 2.054 3.779 1.00 0.00 C ATOM 398 H5' DC B 6 8.724 2.704 6.810 1.00 0.00 H ATOM 399 H5'' DC B 6 9.241 2.660 8.507 1.00 0.00 H ATOM 400 H4' DC B 6 9.731 0.493 8.109 1.00 0.00 H ATOM 401 H3' DC B 6 11.991 2.092 7.214 1.00 0.00 H ATOM 402 H2' DC B 6 12.631 0.989 5.376 1.00 0.00 H ATOM 403 H2'' DC B 6 12.470 -0.583 6.204 1.00 0.00 H ATOM 404 H1' DC B 6 10.578 -0.979 5.056 1.00 0.00 H ATOM 405 H41 DC B 6 10.383 3.481 0.108 1.00 0.00 H ATOM 406 H42 DC B 6 11.173 2.054 -0.512 1.00 0.00 H ATOM 407 H5 DC B 6 9.745 3.701 2.486 1.00 0.00 H ATOM 408 H6 DC B 6 9.736 2.550 4.653 1.00 0.00 H ATOM 409 HN3 DC B 6 11.656 0.293 0.837 1.00 0.00 H ATOM 410 P DC B 7 13.632 0.666 8.900 1.00 0.00 P ATOM 411 OP1 DC B 7 14.144 -0.571 9.532 1.00 0.00 O ATOM 412 OP2 DC B 7 13.631 1.936 9.660 1.00 0.00 O ATOM 413 O5' DC B 7 14.442 0.901 7.527 1.00 0.00 O ATOM 414 C5' DC B 7 15.870 0.999 7.527 1.00 0.00 C ATOM 415 C4' DC B 7 16.522 -0.310 7.087 1.00 0.00 C ATOM 416 O4' DC B 7 16.263 -0.567 5.689 1.00 0.00 O ATOM 417 C3' DC B 7 18.030 -0.261 7.293 1.00 0.00 C ATOM 418 O3' DC B 7 18.437 -1.182 8.310 1.00 0.00 O ATOM 419 C2' DC B 7 18.644 -0.620 5.964 1.00 0.00 C ATOM 420 C1' DC B 7 17.499 -0.814 4.983 1.00 0.00 C ATOM 421 N1 DC B 7 17.638 0.098 3.825 1.00 0.00 N ATOM 422 C2 DC B 7 17.912 -0.482 2.585 1.00 0.00 C ATOM 423 O2 DC B 7 18.020 -1.698 2.434 1.00 0.00 O ATOM 424 N3 DC B 7 18.049 0.393 1.528 1.00 0.00 N ATOM 425 C4 DC B 7 17.927 1.746 1.661 1.00 0.00 C ATOM 426 N4 DC B 7 18.079 2.493 0.567 1.00 0.00 N ATOM 427 C5 DC B 7 17.645 2.318 2.933 1.00 0.00 C ATOM 428 C6 DC B 7 17.509 1.466 3.983 1.00 0.00 C ATOM 429 H5' DC B 7 16.211 1.246 8.533 1.00 0.00 H ATOM 430 H5'' DC B 7 16.172 1.794 6.845 1.00 0.00 H ATOM 431 H4' DC B 7 16.110 -1.127 7.679 1.00 0.00 H ATOM 432 H3' DC B 7 18.329 0.753 7.568 1.00 0.00 H ATOM 433 HO3' DC B 7 18.887 -0.674 8.990 1.00 0.00 H ATOM 434 H2' DC B 7 19.293 0.187 5.625 1.00 0.00 H ATOM 435 H2'' DC B 7 19.215 -1.543 6.056 1.00 0.00 H ATOM 436 H1' DC B 7 17.505 -1.844 4.627 1.00 0.00 H ATOM 437 H41 DC B 7 17.996 3.498 0.626 1.00 0.00 H ATOM 438 H42 DC B 7 18.270 2.053 -0.322 1.00 0.00 H ATOM 439 H5 DC B 7 17.530 3.396 3.056 1.00 0.00 H ATOM 440 H6 DC B 7 17.295 1.871 4.972 1.00 0.00 H ATOM 441 HN3 DC B 7 18.249 -0.008 0.624 1.00 0.00 H TER 442 DC B 7 HETATM 443 N1 MCY C 1 14.595 -2.612 2.887 1.00 0.00 N HETATM 444 C2 MCY C 1 14.665 -1.286 2.514 1.00 0.00 C HETATM 445 N3 MCY C 1 14.766 -1.013 1.190 1.00 0.00 N HETATM 446 C4 MCY C 1 14.797 -1.992 0.268 1.00 0.00 C HETATM 447 C5 MCY C 1 14.732 -3.286 0.647 1.00 0.00 C HETATM 448 C6 MCY C 1 14.632 -3.594 1.949 1.00 0.00 C HETATM 449 O2 MCY C 1 14.636 -0.393 3.359 1.00 0.00 O HETATM 450 N4 MCY C 1 14.880 -1.671 -1.021 1.00 0.00 N HETATM 451 C1' MCY C 1 14.446 -2.926 4.324 1.00 0.00 C HETATM 452 C2' MCY C 1 13.118 -3.619 4.578 1.00 0.00 C HETATM 453 C3' MCY C 1 13.435 -5.014 5.047 1.00 0.00 C HETATM 454 C4' MCY C 1 14.943 -5.049 5.264 1.00 0.00 C HETATM 455 O4' MCY C 1 15.498 -3.810 4.769 1.00 0.00 O HETATM 456 O3' MCY C 1 12.726 -5.322 6.252 1.00 0.00 O HETATM 457 C5' MCY C 1 15.570 -6.246 4.551 1.00 0.00 C HETATM 458 O5' MCY C 1 15.219 -6.278 3.165 1.00 0.00 O HETATM 459 C5A MCY C 1 14.772 -4.399 -0.399 1.00 0.00 C HETATM 460 H6 MCY C 1 14.581 -4.639 2.256 1.00 0.00 H HETATM 461 HN41 MCY C 1 14.897 -2.395 -1.725 1.00 0.00 H HETATM 462 HN42 MCY C 1 14.919 -0.700 -1.292 1.00 0.00 H HETATM 463 H1' MCY C 1 14.487 -2.002 4.899 1.00 0.00 H HETATM 464 H2' MCY C 1 12.535 -3.659 3.659 1.00 0.00 H HETATM 465 H2'' MCY C 1 12.562 -3.085 5.349 1.00 0.00 H HETATM 466 H3' MCY C 1 13.164 -5.727 4.265 1.00 0.00 H HETATM 467 H4' MCY C 1 15.146 -5.125 6.332 1.00 0.00 H HETATM 468 H5' MCY C 1 16.654 -6.184 4.642 1.00 0.00 H HETATM 469 H5'' MCY C 1 15.225 -7.164 5.027 1.00 0.00 H HETATM 470 HO5' MCY C 1 14.262 -6.266 3.114 1.00 0.00 H HETATM 471 H5A1 MCY C 1 13.758 -4.616 -0.736 1.00 0.00 H HETATM 472 H5A2 MCY C 1 15.209 -5.296 0.040 1.00 0.00 H HETATM 473 H5A3 MCY C 1 15.376 -4.081 -1.248 1.00 0.00 H ATOM 474 P DC C 2 11.201 -5.846 6.194 1.00 0.00 P ATOM 475 OP1 DC C 2 10.398 -5.029 7.131 1.00 0.00 O ATOM 476 OP2 DC C 2 11.213 -7.320 6.327 1.00 0.00 O ATOM 477 O5' DC C 2 10.751 -5.478 4.688 1.00 0.00 O ATOM 478 C5' DC C 2 9.374 -5.537 4.294 1.00 0.00 C ATOM 479 C4' DC C 2 8.564 -4.402 4.919 1.00 0.00 C ATOM 480 O4' DC C 2 8.697 -3.188 4.146 1.00 0.00 O ATOM 481 C3' DC C 2 7.087 -4.762 4.993 1.00 0.00 C ATOM 482 O3' DC C 2 6.678 -4.951 6.355 1.00 0.00 O ATOM 483 C2' DC C 2 6.353 -3.616 4.358 1.00 0.00 C ATOM 484 C1' DC C 2 7.397 -2.670 3.791 1.00 0.00 C ATOM 485 N1 DC C 2 7.266 -2.545 2.319 1.00 0.00 N ATOM 486 C2 DC C 2 7.414 -1.280 1.762 1.00 0.00 C ATOM 487 O2 DC C 2 7.637 -0.306 2.479 1.00 0.00 O ATOM 488 N3 DC C 2 7.301 -1.154 0.412 1.00 0.00 N ATOM 489 C4 DC C 2 7.051 -2.217 -0.363 1.00 0.00 C ATOM 490 N4 DC C 2 6.998 -2.067 -1.688 1.00 0.00 N ATOM 491 C5 DC C 2 6.892 -3.512 0.204 1.00 0.00 C ATOM 492 C6 DC C 2 7.010 -3.636 1.538 1.00 0.00 C ATOM 493 H5' DC C 2 8.954 -6.492 4.610 1.00 0.00 H ATOM 494 H5'' DC C 2 9.311 -5.462 3.209 1.00 0.00 H ATOM 495 H4' DC C 2 8.932 -4.219 5.928 1.00 0.00 H ATOM 496 H3' DC C 2 6.896 -5.671 4.415 1.00 0.00 H ATOM 497 H2' DC C 2 5.714 -3.987 3.562 1.00 0.00 H ATOM 498 H2'' DC C 2 5.755 -3.099 5.108 1.00 0.00 H ATOM 499 H1' DC C 2 7.263 -1.689 4.244 1.00 0.00 H ATOM 500 H41 DC C 2 7.088 -1.145 -2.091 1.00 0.00 H ATOM 501 H42 DC C 2 6.852 -2.872 -2.287 1.00 0.00 H ATOM 502 H5 DC C 2 6.634 -4.360 -0.417 1.00 0.00 H ATOM 503 H6 DC C 2 6.905 -4.618 1.998 1.00 0.00 H ATOM 504 P DT C 3 5.145 -5.287 6.730 1.00 0.00 P ATOM 505 OP1 DT C 3 5.146 -6.301 7.808 1.00 0.00 O ATOM 506 OP2 DT C 3 4.400 -5.545 5.476 1.00 0.00 O ATOM 507 O5' DT C 3 4.628 -3.893 7.352 1.00 0.00 O ATOM 508 C5' DT C 3 3.389 -3.313 6.932 1.00 0.00 C ATOM 509 C4' DT C 3 3.493 -1.795 6.818 1.00 0.00 C ATOM 510 O4' DT C 3 4.477 -1.421 5.826 1.00 0.00 O ATOM 511 C3' DT C 3 2.156 -1.188 6.416 1.00 0.00 C ATOM 512 O3' DT C 3 1.588 -0.434 7.494 1.00 0.00 O ATOM 513 C2' DT C 3 2.442 -0.302 5.232 1.00 0.00 C ATOM 514 C1' DT C 3 3.904 -0.508 4.863 1.00 0.00 C ATOM 515 N1 DT C 3 4.021 -1.045 3.489 1.00 0.00 N ATOM 516 C2 DT C 3 4.241 -0.144 2.461 1.00 0.00 C ATOM 517 O2 DT C 3 4.389 1.059 2.661 1.00 0.00 O ATOM 518 N3 DT C 3 4.294 -0.679 1.186 1.00 0.00 N ATOM 519 C4 DT C 3 4.146 -2.009 0.853 1.00 0.00 C ATOM 520 O4 DT C 3 4.183 -2.361 -0.325 1.00 0.00 O ATOM 521 C5 DT C 3 3.928 -2.880 1.989 1.00 0.00 C ATOM 522 C7 DT C 3 3.761 -4.383 1.764 1.00 0.00 C ATOM 523 C6 DT C 3 3.875 -2.383 3.245 1.00 0.00 C ATOM 524 H5' DT C 3 2.615 -3.563 7.659 1.00 0.00 H ATOM 525 H5'' DT C 3 3.110 -3.725 5.962 1.00 0.00 H ATOM 526 H4' DT C 3 3.792 -1.387 7.783 1.00 0.00 H ATOM 527 H3' DT C 3 1.470 -1.983 6.115 1.00 0.00 H ATOM 528 H2' DT C 3 1.802 -0.581 4.395 1.00 0.00 H ATOM 529 H2'' DT C 3 2.270 0.739 5.502 1.00 0.00 H ATOM 530 H1' DT C 3 4.427 0.446 4.920 1.00 0.00 H ATOM 531 H3 DT C 3 4.478 -0.040 0.429 1.00 0.00 H ATOM 532 H71 DT C 3 4.615 -4.912 2.186 1.00 0.00 H ATOM 533 H72 DT C 3 3.702 -4.587 0.695 1.00 0.00 H ATOM 534 H73 DT C 3 2.847 -4.724 2.250 1.00 0.00 H ATOM 535 H6 DT C 3 3.743 -3.064 4.087 1.00 0.00 H ATOM 536 P DC C 4 0.234 -0.925 8.218 1.00 0.00 P ATOM 537 OP1 DC C 4 -0.108 0.056 9.273 1.00 0.00 O ATOM 538 OP2 DC C 4 0.386 -2.356 8.564 1.00 0.00 O ATOM 539 O5' DC C 4 -0.861 -0.807 7.038 1.00 0.00 O ATOM 540 C5' DC C 4 -1.951 0.118 7.134 1.00 0.00 C ATOM 541 C4' DC C 4 -1.587 1.483 6.550 1.00 0.00 C ATOM 542 O4' DC C 4 -0.808 1.340 5.341 1.00 0.00 O ATOM 543 C3' DC C 4 -2.838 2.283 6.216 1.00 0.00 C ATOM 544 O3' DC C 4 -2.941 3.434 7.062 1.00 0.00 O ATOM 545 C2' DC C 4 -2.696 2.687 4.772 1.00 0.00 C ATOM 546 C1' DC C 4 -1.491 1.955 4.225 1.00 0.00 C ATOM 547 N1 DC C 4 -1.897 0.927 3.242 1.00 0.00 N ATOM 548 C2 DC C 4 -1.908 1.273 1.896 1.00 0.00 C ATOM 549 O2 DC C 4 -1.704 2.436 1.549 1.00 0.00 O ATOM 550 N3 DC C 4 -2.175 0.298 0.984 1.00 0.00 N ATOM 551 C4 DC C 4 -2.425 -0.957 1.370 1.00 0.00 C ATOM 552 N4 DC C 4 -2.612 -1.921 0.458 1.00 0.00 N ATOM 553 C5 DC C 4 -2.435 -1.302 2.736 1.00 0.00 C ATOM 554 C6 DC C 4 -2.170 -0.346 3.642 1.00 0.00 C ATOM 555 H5' DC C 4 -2.222 0.242 8.183 1.00 0.00 H ATOM 556 H5'' DC C 4 -2.807 -0.285 6.593 1.00 0.00 H ATOM 557 H4' DC C 4 -1.000 2.035 7.284 1.00 0.00 H ATOM 558 H3' DC C 4 -3.726 1.648 6.327 1.00 0.00 H ATOM 559 H2' DC C 4 -3.579 2.400 4.218 1.00 0.00 H ATOM 560 H2'' DC C 4 -2.544 3.764 4.699 1.00 0.00 H ATOM 561 H1' DC C 4 -0.824 2.669 3.744 1.00 0.00 H ATOM 562 H41 DC C 4 -2.567 -1.704 -0.531 1.00 0.00 H ATOM 563 H42 DC C 4 -2.760 -2.875 0.756 1.00 0.00 H ATOM 564 H5 DC C 4 -2.651 -2.304 3.029 1.00 0.00 H ATOM 565 H6 DC C 4 -2.187 -0.588 4.707 1.00 0.00 H ATOM 566 P DT C 5 -4.368 3.926 7.621 1.00 0.00 P ATOM 567 OP1 DT C 5 -4.305 5.392 7.820 1.00 0.00 O ATOM 568 OP2 DT C 5 -4.755 3.045 8.745 1.00 0.00 O ATOM 569 O5' DT C 5 -5.352 3.624 6.383 1.00 0.00 O ATOM 570 C5' DT C 5 -6.347 4.573 5.991 1.00 0.00 C ATOM 571 C4' DT C 5 -5.878 5.435 4.818 1.00 0.00 C ATOM 572 O4' DT C 5 -4.828 4.776 4.071 1.00 0.00 O ATOM 573 C3' DT C 5 -7.029 5.720 3.867 1.00 0.00 C ATOM 574 O3' DT C 5 -7.324 7.121 3.833 1.00 0.00 O ATOM 575 C2' DT C 5 -6.580 5.232 2.515 1.00 0.00 C ATOM 576 C1' DT C 5 -5.262 4.513 2.719 1.00 0.00 C ATOM 577 N1 DT C 5 -5.378 3.048 2.490 1.00 0.00 N ATOM 578 C2 DT C 5 -5.142 2.582 1.208 1.00 0.00 C ATOM 579 O2 DT C 5 -4.906 3.336 0.266 1.00 0.00 O ATOM 580 N3 DT C 5 -5.185 1.210 1.046 1.00 0.00 N ATOM 581 C4 DT C 5 -5.435 0.277 2.025 1.00 0.00 C ATOM 582 O4 DT C 5 -5.438 -0.923 1.758 1.00 0.00 O ATOM 583 C5 DT C 5 -5.671 0.843 3.327 1.00 0.00 C ATOM 584 C7 DT C 5 -5.919 -0.090 4.505 1.00 0.00 C ATOM 585 C6 DT C 5 -5.643 2.179 3.524 1.00 0.00 C ATOM 586 H5' DT C 5 -6.575 5.221 6.838 1.00 0.00 H ATOM 587 H5'' DT C 5 -7.251 4.037 5.702 1.00 0.00 H ATOM 588 H4' DT C 5 -5.496 6.381 5.204 1.00 0.00 H ATOM 589 H3' DT C 5 -7.914 5.157 4.181 1.00 0.00 H ATOM 590 H2' DT C 5 -7.314 4.560 2.096 1.00 0.00 H ATOM 591 H2'' DT C 5 -6.437 6.081 1.850 1.00 0.00 H ATOM 592 H1' DT C 5 -4.538 4.922 2.015 1.00 0.00 H ATOM 593 H3 DT C 5 -5.018 0.855 0.126 1.00 0.00 H ATOM 594 H71 DT C 5 -6.934 0.052 4.874 1.00 0.00 H ATOM 595 H72 DT C 5 -5.208 0.133 5.301 1.00 0.00 H ATOM 596 H73 DT C 5 -5.790 -1.124 4.184 1.00 0.00 H ATOM 597 H6 DT C 5 -5.824 2.573 4.525 1.00 0.00 H ATOM 598 P DC C 6 -8.642 7.666 3.086 1.00 0.00 P ATOM 599 OP1 DC C 6 -8.383 7.667 1.628 1.00 0.00 O ATOM 600 OP2 DC C 6 -9.076 8.910 3.761 1.00 0.00 O ATOM 601 O5' DC C 6 -9.720 6.515 3.406 1.00 0.00 O ATOM 602 C5' DC C 6 -11.118 6.766 3.260 1.00 0.00 C ATOM 603 C4' DC C 6 -11.575 6.574 1.816 1.00 0.00 C ATOM 604 O4' DC C 6 -10.879 5.465 1.199 1.00 0.00 O ATOM 605 C3' DC C 6 -13.068 6.293 1.763 1.00 0.00 C ATOM 606 O3' DC C 6 -13.762 7.338 1.072 1.00 0.00 O ATOM 607 C2' DC C 6 -13.219 4.979 1.047 1.00 0.00 C ATOM 608 C1' DC C 6 -11.818 4.464 0.751 1.00 0.00 C ATOM 609 N1 DC C 6 -11.589 3.182 1.446 1.00 0.00 N ATOM 610 C2 DC C 6 -11.400 2.053 0.664 1.00 0.00 C ATOM 611 O2 DC C 6 -11.394 2.140 -0.565 1.00 0.00 O ATOM 612 N3 DC C 6 -11.214 0.861 1.292 1.00 0.00 N ATOM 613 C4 DC C 6 -11.209 0.778 2.629 1.00 0.00 C ATOM 614 N4 DC C 6 -11.043 -0.411 3.207 1.00 0.00 N ATOM 615 C5 DC C 6 -11.395 1.941 3.438 1.00 0.00 C ATOM 616 C6 DC C 6 -11.585 3.113 2.811 1.00 0.00 C ATOM 617 H5' DC C 6 -11.331 7.791 3.568 1.00 0.00 H ATOM 618 H5'' DC C 6 -11.669 6.081 3.903 1.00 0.00 H ATOM 619 H4' DC C 6 -11.364 7.483 1.252 1.00 0.00 H ATOM 620 H3' DC C 6 -13.457 6.198 2.779 1.00 0.00 H ATOM 621 H2' DC C 6 -13.750 4.270 1.683 1.00 0.00 H ATOM 622 H2'' DC C 6 -13.767 5.125 0.122 1.00 0.00 H ATOM 623 H1' DC C 6 -11.699 4.311 -0.329 1.00 0.00 H ATOM 624 H41 DC C 6 -10.918 -1.234 2.634 1.00 0.00 H ATOM 625 H42 DC C 6 -11.048 -0.491 4.214 1.00 0.00 H ATOM 626 H5 DC C 6 -11.363 1.885 4.526 1.00 0.00 H ATOM 627 H6 DC C 6 -11.760 4.012 3.400 1.00 0.00 H ATOM 628 P DC C 7 -14.703 8.366 1.881 1.00 0.00 P ATOM 629 OP1 DC C 7 -15.617 9.015 0.915 1.00 0.00 O ATOM 630 OP2 DC C 7 -13.839 9.196 2.750 1.00 0.00 O ATOM 631 O5' DC C 7 -15.567 7.379 2.823 1.00 0.00 O ATOM 632 C5' DC C 7 -16.990 7.284 2.688 1.00 0.00 C ATOM 633 C4' DC C 7 -17.393 6.738 1.320 1.00 0.00 C ATOM 634 O4' DC C 7 -16.707 5.498 1.038 1.00 0.00 O ATOM 635 C3' DC C 7 -18.892 6.479 1.257 1.00 0.00 C ATOM 636 O3' DC C 7 -19.526 7.372 0.337 1.00 0.00 O ATOM 637 C2' DC C 7 -19.048 5.048 0.810 1.00 0.00 C ATOM 638 C1' DC C 7 -17.648 4.486 0.622 1.00 0.00 C ATOM 639 N1 DC C 7 -17.472 3.238 1.399 1.00 0.00 N ATOM 640 C2 DC C 7 -17.753 2.040 0.755 1.00 0.00 C ATOM 641 O2 DC C 7 -18.095 2.033 -0.428 1.00 0.00 O ATOM 642 N3 DC C 7 -17.616 0.884 1.457 1.00 0.00 N ATOM 643 C4 DC C 7 -17.216 0.893 2.734 1.00 0.00 C ATOM 644 N4 DC C 7 -17.094 -0.263 3.385 1.00 0.00 N ATOM 645 C5 DC C 7 -16.918 2.121 3.403 1.00 0.00 C ATOM 646 C6 DC C 7 -17.060 3.266 2.703 1.00 0.00 C ATOM 647 H5' DC C 7 -17.426 8.275 2.818 1.00 0.00 H ATOM 648 H5'' DC C 7 -17.376 6.622 3.463 1.00 0.00 H ATOM 649 H4' DC C 7 -17.128 7.468 0.555 1.00 0.00 H ATOM 650 H3' DC C 7 -19.327 6.598 2.252 1.00 0.00 H ATOM 651 HO3' DC C 7 -19.211 7.148 -0.542 1.00 0.00 H ATOM 652 H2' DC C 7 -19.580 4.477 1.571 1.00 0.00 H ATOM 653 H2'' DC C 7 -19.594 5.011 -0.133 1.00 0.00 H ATOM 654 H1' DC C 7 -17.491 4.271 -0.435 1.00 0.00 H ATOM 655 H41 DC C 7 -17.298 -1.132 2.911 1.00 0.00 H ATOM 656 H42 DC C 7 -16.793 -0.272 4.349 1.00 0.00 H ATOM 657 H5 DC C 7 -16.565 2.128 4.436 1.00 0.00 H ATOM 658 H6 DC C 7 -16.843 4.221 3.181 1.00 0.00 H TER 659 DC C 7 HETATM 660 N1 MCY D 1 -14.288 -2.722 2.808 1.00 0.00 N HETATM 661 C2 MCY D 1 -14.688 -2.279 1.566 1.00 0.00 C HETATM 662 N3 MCY D 1 -14.738 -0.937 1.365 1.00 0.00 N HETATM 663 C4 MCY D 1 -14.415 -0.065 2.337 1.00 0.00 C HETATM 664 C5 MCY D 1 -14.029 -0.517 3.549 1.00 0.00 C HETATM 665 C6 MCY D 1 -13.956 -1.840 3.774 1.00 0.00 C HETATM 666 O2 MCY D 1 -14.973 -3.075 0.676 1.00 0.00 O HETATM 667 N4 MCY D 1 -14.462 1.246 2.089 1.00 0.00 N HETATM 668 C1' MCY D 1 -14.275 -4.178 3.076 1.00 0.00 C HETATM 669 C2' MCY D 1 -12.872 -4.732 2.941 1.00 0.00 C HETATM 670 C3' MCY D 1 -12.516 -5.387 4.239 1.00 0.00 C HETATM 671 C4' MCY D 1 -13.699 -5.147 5.167 1.00 0.00 C HETATM 672 O4' MCY D 1 -14.726 -4.456 4.420 1.00 0.00 O HETATM 673 O3' MCY D 1 -12.279 -6.791 4.065 1.00 0.00 O HETATM 674 C5' MCY D 1 -13.278 -4.332 6.388 1.00 0.00 C HETATM 675 O5' MCY D 1 -12.587 -3.137 6.012 1.00 0.00 O HETATM 676 C5A MCY D 1 -13.752 0.467 4.685 1.00 0.00 C HETATM 677 H6 MCY D 1 -13.572 -2.212 4.716 1.00 0.00 H HETATM 678 HN41 MCY D 1 -14.208 1.907 2.808 1.00 0.00 H HETATM 679 HN42 MCY D 1 -14.751 1.579 1.178 1.00 0.00 H HETATM 680 H1' MCY D 1 -14.932 -4.679 2.367 1.00 0.00 H HETATM 681 H2' MCY D 1 -12.176 -3.918 2.751 1.00 0.00 H HETATM 682 H2'' MCY D 1 -12.834 -5.465 2.138 1.00 0.00 H HETATM 683 H3' MCY D 1 -11.623 -4.906 4.638 1.00 0.00 H HETATM 684 H4' MCY D 1 -14.090 -6.108 5.500 1.00 0.00 H HETATM 685 H5' MCY D 1 -14.167 -4.063 6.959 1.00 0.00 H HETATM 686 H5'' MCY D 1 -12.624 -4.939 7.013 1.00 0.00 H HETATM 687 HO5' MCY D 1 -12.790 -2.470 6.672 1.00 0.00 H HETATM 688 H5A1 MCY D 1 -14.565 0.421 5.410 1.00 0.00 H HETATM 689 H5A2 MCY D 1 -13.680 1.478 4.288 1.00 0.00 H HETATM 690 H5A3 MCY D 1 -12.815 0.202 5.175 1.00 0.00 H ATOM 691 P DC D 2 -11.036 -7.325 3.186 1.00 0.00 P ATOM 692 OP1 DC D 2 -11.324 -7.047 1.761 1.00 0.00 O ATOM 693 OP2 DC D 2 -10.727 -8.706 3.618 1.00 0.00 O ATOM 694 O5' DC D 2 -9.824 -6.368 3.652 1.00 0.00 O ATOM 695 C5' DC D 2 -8.462 -6.725 3.383 1.00 0.00 C ATOM 696 C4' DC D 2 -8.174 -6.771 1.882 1.00 0.00 C ATOM 697 O4' DC D 2 -8.841 -5.687 1.202 1.00 0.00 O ATOM 698 C3' DC D 2 -6.680 -6.661 1.606 1.00 0.00 C ATOM 699 O3' DC D 2 -6.202 -7.839 0.947 1.00 0.00 O ATOM 700 C2' DC D 2 -6.506 -5.448 0.727 1.00 0.00 C ATOM 701 C1' DC D 2 -7.887 -4.857 0.509 1.00 0.00 C ATOM 702 N1 DC D 2 -7.968 -3.462 0.994 1.00 0.00 N ATOM 703 C2 DC D 2 -8.024 -2.453 0.039 1.00 0.00 C ATOM 704 O2 DC D 2 -7.953 -2.723 -1.158 1.00 0.00 O ATOM 705 N3 DC D 2 -8.185 -1.175 0.464 1.00 0.00 N ATOM 706 C4 DC D 2 -8.295 -0.896 1.772 1.00 0.00 C ATOM 707 N4 DC D 2 -8.640 0.321 2.150 1.00 0.00 N ATOM 708 C5 DC D 2 -8.222 -1.917 2.755 1.00 0.00 C ATOM 709 C6 DC D 2 -8.058 -3.180 2.332 1.00 0.00 C ATOM 710 H5' DC D 2 -8.260 -7.706 3.814 1.00 0.00 H ATOM 711 H5'' DC D 2 -7.805 -5.991 3.850 1.00 0.00 H ATOM 712 H4' DC D 2 -8.539 -7.716 1.481 1.00 0.00 H ATOM 713 H3' DC D 2 -6.142 -6.512 2.544 1.00 0.00 H ATOM 714 H2' DC D 2 -5.855 -4.720 1.208 1.00 0.00 H ATOM 715 H2'' DC D 2 -6.081 -5.746 -0.228 1.00 0.00 H ATOM 716 H1' DC D 2 -8.111 -4.873 -0.555 1.00 0.00 H ATOM 717 H41 DC D 2 -8.632 1.085 1.483 1.00 0.00 H ATOM 718 H42 DC D 2 -8.865 0.489 3.118 1.00 0.00 H ATOM 719 H5 DC D 2 -8.253 -1.667 3.819 1.00 0.00 H ATOM 720 H6 DC D 2 -7.975 -3.980 3.064 1.00 0.00 H ATOM 721 P DT D 3 -4.779 -8.485 1.338 1.00 0.00 P ATOM 722 OP1 DT D 3 -4.408 -9.457 0.285 1.00 0.00 O ATOM 723 OP2 DT D 3 -4.840 -8.917 2.752 1.00 0.00 O ATOM 724 O5' DT D 3 -3.781 -7.225 1.238 1.00 0.00 O ATOM 725 C5' DT D 3 -3.388 -6.701 -0.035 1.00 0.00 C ATOM 726 C4' DT D 3 -2.221 -5.728 0.096 1.00 0.00 C ATOM 727 O4' DT D 3 -2.506 -4.721 1.091 1.00 0.00 O ATOM 728 C3' DT D 3 -0.952 -6.463 0.504 1.00 0.00 C ATOM 729 O3' DT D 3 0.061 -6.325 -0.503 1.00 0.00 O ATOM 730 C2' DT D 3 -0.512 -5.841 1.808 1.00 0.00 C ATOM 731 C1' DT D 3 -1.477 -4.703 2.102 1.00 0.00 C ATOM 732 N1 DT D 3 -2.070 -4.831 3.453 1.00 0.00 N ATOM 733 C2 DT D 3 -1.625 -3.957 4.431 1.00 0.00 C ATOM 734 O2 DT D 3 -0.734 -3.136 4.221 1.00 0.00 O ATOM 735 N3 DT D 3 -2.233 -4.068 5.667 1.00 0.00 N ATOM 736 C4 DT D 3 -3.228 -4.967 6.009 1.00 0.00 C ATOM 737 O4 DT D 3 -3.698 -4.977 7.145 1.00 0.00 O ATOM 738 C5 DT D 3 -3.626 -5.844 4.929 1.00 0.00 C ATOM 739 C7 DT D 3 -4.715 -6.887 5.170 1.00 0.00 C ATOM 740 C6 DT D 3 -3.051 -5.753 3.712 1.00 0.00 C ATOM 741 H5' DT D 3 -4.232 -6.182 -0.483 1.00 0.00 H ATOM 742 H5'' DT D 3 -3.093 -7.526 -0.684 1.00 0.00 H ATOM 743 H4' DT D 3 -2.057 -5.240 -0.864 1.00 0.00 H ATOM 744 H3' DT D 3 -1.175 -7.520 0.665 1.00 0.00 H ATOM 745 H2' DT D 3 -0.554 -6.582 2.606 1.00 0.00 H ATOM 746 H2'' DT D 3 0.502 -5.455 1.713 1.00 0.00 H ATOM 747 H1' DT D 3 -0.939 -3.758 2.042 1.00 0.00 H ATOM 748 H3 DT D 3 -1.933 -3.421 6.380 1.00 0.00 H ATOM 749 H71 DT D 3 -5.078 -6.805 6.195 1.00 0.00 H ATOM 750 H72 DT D 3 -4.305 -7.885 5.010 1.00 0.00 H ATOM 751 H73 DT D 3 -5.540 -6.719 4.479 1.00 0.00 H ATOM 752 H6 DT D 3 -3.374 -6.426 2.917 1.00 0.00 H ATOM 753 P DC D 4 -0.076 -7.087 -1.921 1.00 0.00 P ATOM 754 OP1 DC D 4 -1.496 -7.052 -2.336 1.00 0.00 O ATOM 755 OP2 DC D 4 0.630 -8.383 -1.819 1.00 0.00 O ATOM 756 O5' DC D 4 0.759 -6.136 -2.918 1.00 0.00 O ATOM 757 C5' DC D 4 0.665 -6.305 -4.337 1.00 0.00 C ATOM 758 C4' DC D 4 1.272 -5.122 -5.090 1.00 0.00 C ATOM 759 O4' DC D 4 0.682 -3.879 -4.650 1.00 0.00 O ATOM 760 C3' DC D 4 2.775 -5.047 -4.860 1.00 0.00 C ATOM 761 O3' DC D 4 3.484 -5.174 -6.098 1.00 0.00 O ATOM 762 C2' DC D 4 3.035 -3.703 -4.230 1.00 0.00 C ATOM 763 C1' DC D 4 1.689 -3.006 -4.095 1.00 0.00 C ATOM 764 N1 DC D 4 1.384 -2.703 -2.680 1.00 0.00 N ATOM 765 C2 DC D 4 0.984 -1.407 -2.366 1.00 0.00 C ATOM 766 O2 DC D 4 0.927 -0.542 -3.239 1.00 0.00 O ATOM 767 N3 DC D 4 0.658 -1.130 -1.075 1.00 0.00 N ATOM 768 C4 DC D 4 0.727 -2.080 -0.133 1.00 0.00 C ATOM 769 N4 DC D 4 0.400 -1.776 1.115 1.00 0.00 N ATOM 770 C5 DC D 4 1.139 -3.408 -0.449 1.00 0.00 C ATOM 771 C6 DC D 4 1.457 -3.676 -1.724 1.00 0.00 C ATOM 772 H5' DC D 4 -0.385 -6.401 -4.615 1.00 0.00 H ATOM 773 H5'' DC D 4 1.192 -7.216 -4.622 1.00 0.00 H ATOM 774 H4' DC D 4 1.082 -5.245 -6.156 1.00 0.00 H ATOM 775 H3' DC D 4 3.080 -5.837 -4.171 1.00 0.00 H ATOM 776 H2' DC D 4 3.488 -3.834 -3.247 1.00 0.00 H ATOM 777 H2'' DC D 4 3.694 -3.115 -4.867 1.00 0.00 H ATOM 778 H1' DC D 4 1.709 -2.077 -4.663 1.00 0.00 H ATOM 779 H41 DC D 4 0.133 -0.831 1.348 1.00 0.00 H ATOM 780 H42 DC D 4 0.438 -2.481 1.831 1.00 0.00 H ATOM 781 H5 DC D 4 1.193 -4.179 0.319 1.00 0.00 H ATOM 782 H6 DC D 4 1.787 -4.679 -1.995 1.00 0.00 H ATOM 783 P DT D 5 4.529 -6.378 -6.329 1.00 0.00 P ATOM 784 OP1 DT D 5 4.987 -6.328 -7.735 1.00 0.00 O ATOM 785 OP2 DT D 5 3.933 -7.621 -5.791 1.00 0.00 O ATOM 786 O5' DT D 5 5.761 -5.960 -5.381 1.00 0.00 O ATOM 787 C5' DT D 5 6.480 -4.744 -5.610 1.00 0.00 C ATOM 788 C4' DT D 5 7.671 -4.614 -4.666 1.00 0.00 C ATOM 789 O4' DT D 5 7.229 -4.599 -3.293 1.00 0.00 O ATOM 790 C3' DT D 5 8.636 -5.782 -4.848 1.00 0.00 C ATOM 791 O3' DT D 5 9.933 -5.325 -5.255 1.00 0.00 O ATOM 792 C2' DT D 5 8.710 -6.470 -3.510 1.00 0.00 C ATOM 793 C1' DT D 5 7.877 -5.646 -2.542 1.00 0.00 C ATOM 794 N1 DT D 5 6.881 -6.488 -1.844 1.00 0.00 N ATOM 795 C2 DT D 5 7.102 -6.765 -0.506 1.00 0.00 C ATOM 796 O2 DT D 5 8.092 -6.351 0.096 1.00 0.00 O ATOM 797 N3 DT D 5 6.143 -7.537 0.121 1.00 0.00 N ATOM 798 C4 DT D 5 5.000 -8.052 -0.464 1.00 0.00 C ATOM 799 O4 DT D 5 4.212 -8.729 0.193 1.00 0.00 O ATOM 800 C5 DT D 5 4.853 -7.716 -1.863 1.00 0.00 C ATOM 801 C7 DT D 5 3.636 -8.222 -2.634 1.00 0.00 C ATOM 802 C6 DT D 5 5.774 -6.962 -2.498 1.00 0.00 C ATOM 803 H5' DT D 5 5.809 -3.899 -5.453 1.00 0.00 H ATOM 804 H5'' DT D 5 6.838 -4.729 -6.639 1.00 0.00 H ATOM 805 H4' DT D 5 8.194 -3.682 -4.879 1.00 0.00 H ATOM 806 H3' DT D 5 8.236 -6.476 -5.591 1.00 0.00 H ATOM 807 H2' DT D 5 8.305 -7.479 -3.587 1.00 0.00 H ATOM 808 H2'' DT D 5 9.745 -6.510 -3.170 1.00 0.00 H ATOM 809 H1' DT D 5 8.538 -5.193 -1.805 1.00 0.00 H ATOM 810 H3 DT D 5 6.289 -7.742 1.098 1.00 0.00 H ATOM 811 H71 DT D 5 3.168 -9.036 -2.081 1.00 0.00 H ATOM 812 H72 DT D 5 3.951 -8.582 -3.614 1.00 0.00 H ATOM 813 H73 DT D 5 2.921 -7.409 -2.758 1.00 0.00 H ATOM 814 H6 DT D 5 5.635 -6.726 -3.553 1.00 0.00 H ATOM 815 P DC D 6 10.117 -4.424 -6.579 1.00 0.00 P ATOM 816 OP1 DC D 6 9.145 -4.888 -7.595 1.00 0.00 O ATOM 817 OP2 DC D 6 11.559 -4.370 -6.906 1.00 0.00 O ATOM 818 O5' DC D 6 9.660 -2.966 -6.068 1.00 0.00 O ATOM 819 C5' DC D 6 9.363 -1.923 -7.001 1.00 0.00 C ATOM 820 C4' DC D 6 10.002 -0.601 -6.583 1.00 0.00 C ATOM 821 O4' DC D 6 9.562 -0.210 -5.263 1.00 0.00 O ATOM 822 C3' DC D 6 11.519 -0.717 -6.561 1.00 0.00 C ATOM 823 O3' DC D 6 12.112 0.035 -7.625 1.00 0.00 O ATOM 824 C2' DC D 6 11.955 -0.186 -5.221 1.00 0.00 C ATOM 825 C1' DC D 6 10.695 0.176 -4.455 1.00 0.00 C ATOM 826 N1 DC D 6 10.680 -0.497 -3.137 1.00 0.00 N ATOM 827 C2 DC D 6 11.155 0.225 -2.049 1.00 0.00 C ATOM 828 O2 DC D 6 11.548 1.381 -2.194 1.00 0.00 O ATOM 829 N3 DC D 6 11.173 -0.380 -0.834 1.00 0.00 N ATOM 830 C4 DC D 6 10.745 -1.637 -0.682 1.00 0.00 C ATOM 831 N4 DC D 6 10.786 -2.194 0.525 1.00 0.00 N ATOM 832 C5 DC D 6 10.254 -2.387 -1.795 1.00 0.00 C ATOM 833 C6 DC D 6 10.237 -1.784 -2.999 1.00 0.00 C ATOM 834 H5' DC D 6 8.282 -1.794 -7.058 1.00 0.00 H ATOM 835 H5'' DC D 6 9.740 -2.204 -7.985 1.00 0.00 H ATOM 836 H4' DC D 6 9.715 0.173 -7.295 1.00 0.00 H ATOM 837 H3' DC D 6 11.804 -1.768 -6.642 1.00 0.00 H ATOM 838 H2' DC D 6 12.511 -0.952 -4.683 1.00 0.00 H ATOM 839 H2'' DC D 6 12.576 0.699 -5.356 1.00 0.00 H ATOM 840 H1' DC D 6 10.669 1.255 -4.302 1.00 0.00 H ATOM 841 H41 DC D 6 11.129 -1.665 1.313 1.00 0.00 H ATOM 842 H42 DC D 6 10.474 -3.139 0.653 1.00 0.00 H ATOM 843 H5 DC D 6 9.910 -3.413 -1.675 1.00 0.00 H ATOM 844 H6 DC D 6 9.867 -2.328 -3.869 1.00 0.00 H ATOM 845 P DC D 7 13.613 -0.283 -8.120 1.00 0.00 P ATOM 846 OP1 DC D 7 14.288 1.003 -8.406 1.00 0.00 O ATOM 847 OP2 DC D 7 13.543 -1.327 -9.166 1.00 0.00 O ATOM 848 O5' DC D 7 14.294 -0.928 -6.808 1.00 0.00 O ATOM 849 C5' DC D 7 15.674 -1.308 -6.806 1.00 0.00 C ATOM 850 C4' DC D 7 16.575 -0.144 -6.402 1.00 0.00 C ATOM 851 O4' DC D 7 16.422 0.156 -4.997 1.00 0.00 O ATOM 852 C3' DC D 7 18.038 -0.473 -6.665 1.00 0.00 C ATOM 853 O3' DC D 7 18.571 0.359 -7.700 1.00 0.00 O ATOM 854 C2' DC D 7 18.757 -0.238 -5.361 1.00 0.00 C ATOM 855 C1' DC D 7 17.705 0.154 -4.336 1.00 0.00 C ATOM 856 N1 DC D 7 17.709 -0.783 -3.188 1.00 0.00 N ATOM 857 C2 DC D 7 17.993 -0.259 -1.933 1.00 0.00 C ATOM 858 O2 DC D 7 18.218 0.942 -1.797 1.00 0.00 O ATOM 859 N3 DC D 7 18.010 -1.107 -0.869 1.00 0.00 N ATOM 860 C4 DC D 7 17.759 -2.412 -1.022 1.00 0.00 C ATOM 861 N4 DC D 7 17.789 -3.210 0.047 1.00 0.00 N ATOM 862 C5 DC D 7 17.464 -2.959 -2.310 1.00 0.00 C ATOM 863 C6 DC D 7 17.449 -2.114 -3.361 1.00 0.00 C ATOM 864 H5' DC D 7 15.953 -1.645 -7.805 1.00 0.00 H ATOM 865 H5'' DC D 7 15.815 -2.127 -6.102 1.00 0.00 H ATOM 866 H4' DC D 7 16.299 0.736 -6.983 1.00 0.00 H ATOM 867 H3' DC D 7 18.131 -1.524 -6.946 1.00 0.00 H ATOM 868 HO3' DC D 7 19.079 -0.207 -8.287 1.00 0.00 H ATOM 869 H2' DC D 7 19.265 -1.150 -5.046 1.00 0.00 H ATOM 870 H2'' DC D 7 19.481 0.569 -5.478 1.00 0.00 H ATOM 871 H1' DC D 7 17.919 1.160 -3.974 1.00 0.00 H ATOM 872 H41 DC D 7 17.989 -2.823 0.959 1.00 0.00 H ATOM 873 H42 DC D 7 17.604 -4.198 -0.054 1.00 0.00 H ATOM 874 H5 DC D 7 17.251 -4.021 -2.436 1.00 0.00 H ATOM 875 H6 DC D 7 17.229 -2.497 -4.358 1.00 0.00 H TER 876 DC D 7 CONECT 1 2 6 9 CONECT 2 1 3 7 CONECT 3 2 4 CONECT 4 3 5 8 CONECT 5 4 6 17 CONECT 6 1 5 18 CONECT 7 2 CONECT 8 4 19 20 CONECT 9 1 10 13 21 CONECT 10 9 11 22 23 CONECT 11 10 12 14 24 CONECT 12 11 13 15 25 CONECT 13 9 12 CONECT 14 11 32 CONECT 15 12 16 26 27 CONECT 16 15 28 CONECT 17 5 29 30 31 CONECT 18 6 CONECT 19 8 CONECT 20 8 CONECT 21 9 CONECT 22 10 CONECT 23 10 CONECT 24 11 CONECT 25 12 CONECT 26 15 CONECT 27 15 CONECT 28 16 CONECT 29 17 CONECT 30 17 CONECT 31 17 CONECT 32 14 CONECT 222 223 227 230 CONECT 223 222 224 228 CONECT 224 223 225 CONECT 225 224 226 229 CONECT 226 225 227 238 CONECT 227 222 226 239 CONECT 228 223 CONECT 229 225 240 241 CONECT 230 222 231 234 242 CONECT 231 230 232 243 244 CONECT 232 231 233 235 245 CONECT 233 232 234 236 246 CONECT 234 230 233 CONECT 235 232 253 CONECT 236 233 237 247 248 CONECT 237 236 249 CONECT 238 226 250 251 252 CONECT 239 227 CONECT 240 229 CONECT 241 229 CONECT 242 230 CONECT 243 231 CONECT 244 231 CONECT 245 232 CONECT 246 233 CONECT 247 236 CONECT 248 236 CONECT 249 237 CONECT 250 238 CONECT 251 238 CONECT 252 238 CONECT 253 235 CONECT 443 444 448 451 CONECT 444 443 445 449 CONECT 445 444 446 CONECT 446 445 447 450 CONECT 447 446 448 459 CONECT 448 443 447 460 CONECT 449 444 CONECT 450 446 461 462 CONECT 451 443 452 455 463 CONECT 452 451 453 464 465 CONECT 453 452 454 456 466 CONECT 454 453 455 457 467 CONECT 455 451 454 CONECT 456 453 474 CONECT 457 454 458 468 469 CONECT 458 457 470 CONECT 459 447 471 472 473 CONECT 460 448 CONECT 461 450 CONECT 462 450 CONECT 463 451 CONECT 464 452 CONECT 465 452 CONECT 466 453 CONECT 467 454 CONECT 468 457 CONECT 469 457 CONECT 470 458 CONECT 471 459 CONECT 472 459 CONECT 473 459 CONECT 474 456 CONECT 660 661 665 668 CONECT 661 660 662 666 CONECT 662 661 663 CONECT 663 662 664 667 CONECT 664 663 665 676 CONECT 665 660 664 677 CONECT 666 661 CONECT 667 663 678 679 CONECT 668 660 669 672 680 CONECT 669 668 670 681 682 CONECT 670 669 671 673 683 CONECT 671 670 672 674 684 CONECT 672 668 671 CONECT 673 670 691 CONECT 674 671 675 685 686 CONECT 675 674 687 CONECT 676 664 688 689 690 CONECT 677 665 CONECT 678 667 CONECT 679 667 CONECT 680 668 CONECT 681 669 CONECT 682 669 CONECT 683 670 CONECT 684 671 CONECT 685 674 CONECT 686 674 CONECT 687 675 CONECT 688 676 CONECT 689 676 CONECT 690 676 CONECT 691 673 MASTER 131 0 4 0 0 0 0 6 872 4 128 4 END