USER MOD reduce.3.24.130724 H: found=0, std=0, add=204, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 205 hydrogens (67 hets) HEADER DNA 16-JUL-97 1AO1 TITLE INTERACTIONS OF DEGLYCOSYLATED COBALT(III)-PEPLEOMYCIN WITH TITLE 2 DNA, NMR, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*CP*GP*TP*AP*CP*G)-3'); COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: DEGLYCOSYLATED PEPLEOMYCIN IS A DNA COMPND 6 CLEAVING AGENT WITH ANTITUMOR ACTIVITY SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS ANTICANCER DRUGS, DEGLYCOSYLATED PEPLEOMYCIN, BLEOMYCINS, KEYWDS 2 DNA, DNA CLEAVAGE, TWO-DIMENSIONAL NMR, SOLUTION STRUCTURES, KEYWDS 3 DEOXYRIBONUCLEIC ACID EXPDTA SOLUTION NMR AUTHOR J.CACERES-CORTES,H.SUGIYAMA,K.IKUDOME,I.SAITO,A.H.-J.WANG REVDAT 3 24-FEB-09 1AO1 1 VERSN REVDAT 2 01-APR-03 1AO1 1 JRNL REVDAT 1 17-SEP-97 1AO1 0 JRNL AUTH J.CACERES-CORTES,H.SUGIYAMA,K.IKUDOME,I.SAITO, JRNL AUTH 2 A.H.WANG JRNL TITL INTERACTIONS OF DEGLYCOSYLATED JRNL TITL 2 COBALT(III)-PEPLEOMYCIN (GREEN FORM) WITH DNA JRNL TITL 3 BASED ON NMR STRUCTURAL STUDIES,. JRNL REF BIOCHEMISTRY V. 36 9995 1997 JRNL REFN ISSN 0006-2960 JRNL PMID 9254594 JRNL DOI 10.1021/BI9708951 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN REMARK 3 THE JRNL CITATION ABOVE. REMARK 4 REMARK 4 1AO1 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 275 REMARK 210 PH : 6.9 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ, 500 MHZ REMARK 210 SPECTROMETER MODEL : UNITY 750, VXR 500 REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR, SPEDREF REMARK 210 METHOD USED : NOE-RMD REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : MINIMIZED AVERAGE 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 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 DT A 3 C5 DT A 3 C7 0.048 REMARK 500 DA B 10 C5' DA B 10 C4' 0.055 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DG A 2 O4' - C1' - N9 ANGL. DEV. = 2.3 DEGREES REMARK 500 DT A 3 O4' - C1' - N1 ANGL. DEV. = 3.8 DEGREES REMARK 500 DA A 4 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES REMARK 500 DG A 6 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES REMARK 500 DG B 8 C4' - C3' - C2' ANGL. DEV. = -6.4 DEGREES REMARK 500 DG B 8 O4' - C1' - C2' ANGL. DEV. = -10.5 DEGREES REMARK 500 DG B 8 O4' - C1' - N9 ANGL. DEV. = 2.3 DEGREES REMARK 500 DG B 8 C8 - N9 - C4 ANGL. DEV. = -3.2 DEGREES REMARK 500 DT B 9 N1 - C1' - C2' ANGL. DEV. = -21.4 DEGREES REMARK 500 DT B 9 O4' - C1' - N1 ANGL. DEV. = 14.9 DEGREES REMARK 500 DA B 10 C5' - C4' - O4' ANGL. DEV. = 7.9 DEGREES REMARK 500 DA B 10 C1' - O4' - C4' ANGL. DEV. = 4.6 DEGREES REMARK 500 DA B 10 O4' - C1' - N9 ANGL. DEV. = -4.4 DEGREES REMARK 500 DT B 9 C3' - O3' - P ANGL. DEV. = -7.8 DEGREES REMARK 500 DC B 11 C1' - O4' - C4' ANGL. DEV. = -6.6 DEGREES REMARK 500 DC B 11 O4' - C1' - N1 ANGL. DEV. = 3.1 DEGREES REMARK 500 DA B 10 C3' - O3' - P ANGL. DEV. = 9.1 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 A 1 0.07 SIDE_CHAIN REMARK 500 DG A 2 0.09 SIDE_CHAIN REMARK 500 DG A 6 0.05 SIDE_CHAIN REMARK 500 DT B 9 0.07 SIDE_CHAIN REMARK 500 DC B 11 0.07 SIDE_CHAIN REMARK 500 DG B 12 0.08 SIDE_CHAIN 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 PL1 B 13 DBREF 1AO1 A 1 6 PDB 1AO1 1AO1 1 6 DBREF 1AO1 B 7 12 PDB 1AO1 1AO1 7 12 SEQRES 1 A 6 DC DG DT DA DC DG SEQRES 1 B 6 DC DG DT DA DC DG HET PL1 B 13 147 HETNAM PL1 COBALT (III)-DEGLYCOPEPLEOMYCIN FORMUL 3 PL1 C48 H68 CO N17 O12 S2 1+ SITE *** AC1 8 DT A 3 DA A 4 DC A 5 DG A 6 SITE *** AC1 8 DG B 8 DT B 9 DA B 10 DC B 11 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 13 PL1 HNH : B 13 PL1 NH : B 13 PL1CO :(H bumps) USER MOD Single : A 1 DC O5' : rot 180:sc= 0 USER MOD Single : A 3 DT C7 :methyl 150:sc= -0.0243 (180deg=-0.0243) USER MOD Single : A 6 DG O3' : rot 26:sc= 2.15 USER MOD Single : B 7 DC O5' : rot 180:sc= -1.68! USER MOD Single : B 9 DT C7 :methyl -30:sc= 0 (180deg=-0.00664) USER MOD Single : B 12 DG O3' : rot 180:sc= 0 USER MOD Single : B 13 PL1 OH1 : rot 171:sc= 0.894 USER MOD Single : B 13 PL1 OH2 : rot -78:sc= 0.326 USER MOD Single : B 13 PL1 OH3 : rot 180:sc= 0.825 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 10.340 -7.847 -2.706 1.00 0.00 O ATOM 2 C5' DC A 1 9.267 -8.672 -3.168 1.00 0.00 C ATOM 3 C4' DC A 1 8.618 -9.468 -2.046 1.00 0.00 C ATOM 4 O4' DC A 1 9.582 -10.378 -1.507 1.00 0.00 O ATOM 5 C3' DC A 1 8.046 -8.614 -0.914 1.00 0.00 C ATOM 6 O3' DC A 1 6.652 -8.900 -0.791 1.00 0.00 O ATOM 7 C2' DC A 1 8.932 -9.025 0.273 1.00 0.00 C ATOM 8 C1' DC A 1 9.473 -10.423 -0.084 1.00 0.00 C ATOM 9 N1 DC A 1 10.847 -10.682 0.409 1.00 0.00 N ATOM 10 C2 DC A 1 11.069 -11.682 1.344 1.00 0.00 C ATOM 11 O2 DC A 1 10.123 -12.264 1.868 1.00 0.00 O ATOM 12 N3 DC A 1 12.356 -11.995 1.663 1.00 0.00 N ATOM 13 C4 DC A 1 13.395 -11.347 1.108 1.00 0.00 C ATOM 14 N4 DC A 1 14.641 -11.738 1.381 1.00 0.00 N ATOM 15 C5 DC A 1 13.180 -10.251 0.218 1.00 0.00 C ATOM 16 C6 DC A 1 11.873 -9.956 -0.095 1.00 0.00 C ATOM 0 H5' DC A 1 9.642 -9.359 -3.926 1.00 0.00 H new ATOM 0 H5'' DC A 1 8.514 -8.047 -3.648 1.00 0.00 H new ATOM 0 H4' DC A 1 7.769 -9.989 -2.489 1.00 0.00 H new ATOM 0 H3' DC A 1 8.073 -7.531 -1.038 1.00 0.00 H new ATOM 0 H2' DC A 1 9.746 -8.315 0.420 1.00 0.00 H new ATOM 0 H2'' DC A 1 8.359 -9.050 1.200 1.00 0.00 H new ATOM 0 HO5' DC A 1 10.725 -7.358 -3.462 1.00 0.00 H new ATOM 0 H1' DC A 1 8.823 -11.185 0.347 1.00 0.00 H new ATOM 0 H41 DC A 1 15.432 -11.249 0.962 1.00 0.00 H new ATOM 0 H42 DC A 1 14.802 -12.526 2.009 1.00 0.00 H new ATOM 0 H5 DC A 1 14.003 -9.682 -0.189 1.00 0.00 H new ATOM 0 H6 DC A 1 11.661 -9.129 -0.756 1.00 0.00 H new ATOM 29 P DG A 2 5.752 -8.240 0.365 1.00 0.00 P ATOM 30 OP1 DG A 2 4.336 -8.255 -0.066 1.00 0.00 O ATOM 31 OP2 DG A 2 6.384 -6.978 0.812 1.00 0.00 O ATOM 32 O5' DG A 2 5.959 -9.341 1.498 1.00 0.00 O ATOM 33 C5' DG A 2 5.500 -10.680 1.294 1.00 0.00 C ATOM 34 C4' DG A 2 5.768 -11.518 2.541 1.00 0.00 C ATOM 35 O4' DG A 2 7.185 -11.591 2.845 1.00 0.00 O ATOM 36 C3' DG A 2 5.085 -10.915 3.795 1.00 0.00 C ATOM 37 O3' DG A 2 4.537 -11.992 4.557 1.00 0.00 O ATOM 38 C2' DG A 2 6.290 -10.221 4.438 1.00 0.00 C ATOM 39 C1' DG A 2 7.430 -11.190 4.208 1.00 0.00 C ATOM 40 N9 DG A 2 8.781 -10.599 4.343 1.00 0.00 N ATOM 41 C8 DG A 2 9.262 -9.368 3.980 1.00 0.00 C ATOM 42 N7 DG A 2 10.559 -9.274 3.998 1.00 0.00 N ATOM 43 C5 DG A 2 10.961 -10.484 4.559 1.00 0.00 C ATOM 44 C6 DG A 2 12.264 -10.963 4.855 1.00 0.00 C ATOM 45 O6 DG A 2 13.346 -10.411 4.654 1.00 0.00 O ATOM 46 N1 DG A 2 12.213 -12.228 5.422 1.00 0.00 N ATOM 47 C2 DG A 2 11.058 -12.934 5.695 1.00 0.00 C ATOM 48 N2 DG A 2 11.221 -14.116 6.286 1.00 0.00 N ATOM 49 N3 DG A 2 9.831 -12.495 5.405 1.00 0.00 N ATOM 50 C4 DG A 2 9.870 -11.269 4.832 1.00 0.00 C ATOM 0 H5' DG A 2 6.006 -11.120 0.434 1.00 0.00 H new ATOM 0 H5'' DG A 2 4.433 -10.678 1.069 1.00 0.00 H new ATOM 0 H4' DG A 2 5.367 -12.506 2.317 1.00 0.00 H new ATOM 0 H3' DG A 2 4.249 -10.231 3.652 1.00 0.00 H new ATOM 0 H2' DG A 2 6.488 -9.254 3.976 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.127 -10.040 5.500 1.00 0.00 H new ATOM 0 H1' DG A 2 7.441 -11.991 4.947 1.00 0.00 H new ATOM 0 H8 DG A 2 8.619 -8.546 3.703 1.00 0.00 H new ATOM 0 H1 DG A 2 13.101 -12.673 5.656 1.00 0.00 H new ATOM 0 H21 DG A 2 10.408 -14.688 6.515 1.00 0.00 H new ATOM 0 H22 DG A 2 12.159 -14.449 6.510 1.00 0.00 H new ATOM 62 P DT A 3 3.676 -11.772 5.897 1.00 0.00 P ATOM 63 OP1 DT A 3 2.474 -12.633 5.822 1.00 0.00 O ATOM 64 OP2 DT A 3 3.528 -10.320 6.143 1.00 0.00 O ATOM 65 O5' DT A 3 4.689 -12.367 6.989 1.00 0.00 O ATOM 66 C5' DT A 3 5.012 -13.758 6.963 1.00 0.00 C ATOM 67 C4' DT A 3 6.167 -14.073 7.903 1.00 0.00 C ATOM 68 O4' DT A 3 7.346 -13.313 7.577 1.00 0.00 O ATOM 69 C3' DT A 3 5.859 -13.835 9.403 1.00 0.00 C ATOM 70 O3' DT A 3 6.344 -14.916 10.227 1.00 0.00 O ATOM 71 C2' DT A 3 6.675 -12.592 9.637 1.00 0.00 C ATOM 72 C1' DT A 3 7.918 -12.872 8.810 1.00 0.00 C ATOM 73 N1 DT A 3 8.883 -11.769 8.613 1.00 0.00 N ATOM 74 C2 DT A 3 10.194 -12.037 8.963 1.00 0.00 C ATOM 75 O2 DT A 3 10.542 -13.084 9.507 1.00 0.00 O ATOM 76 N3 DT A 3 11.107 -11.054 8.680 1.00 0.00 N ATOM 77 C4 DT A 3 10.827 -9.799 8.192 1.00 0.00 C ATOM 78 O4 DT A 3 11.727 -8.983 8.027 1.00 0.00 O ATOM 79 C5 DT A 3 9.431 -9.559 7.915 1.00 0.00 C ATOM 80 C7 DT A 3 9.067 -8.140 7.427 1.00 0.00 C ATOM 81 C6 DT A 3 8.513 -10.559 8.095 1.00 0.00 C ATOM 0 H5' DT A 3 5.275 -14.054 5.947 1.00 0.00 H new ATOM 0 H5'' DT A 3 4.137 -14.342 7.249 1.00 0.00 H new ATOM 0 H4' DT A 3 6.334 -15.140 7.754 1.00 0.00 H new ATOM 0 H3' DT A 3 4.798 -13.759 9.641 1.00 0.00 H new ATOM 0 H2' DT A 3 6.156 -11.694 9.303 1.00 0.00 H new ATOM 0 H2'' DT A 3 6.910 -12.450 10.692 1.00 0.00 H new ATOM 0 H1' DT A 3 8.564 -13.582 9.326 1.00 0.00 H new ATOM 0 H3 DT A 3 12.089 -11.275 8.848 1.00 0.00 H new ATOM 0 H71 DT A 3 8.196 -8.192 6.774 1.00 0.00 H new ATOM 0 H72 DT A 3 8.840 -7.507 8.285 1.00 0.00 H new ATOM 0 H73 DT A 3 9.908 -7.717 6.877 1.00 0.00 H new ATOM 0 H6 DT A 3 7.481 -10.389 7.824 1.00 0.00 H new ATOM 94 P DA A 4 5.461 -16.127 10.850 1.00 0.00 P ATOM 95 OP1 DA A 4 5.487 -17.254 9.891 1.00 0.00 O ATOM 96 OP2 DA A 4 4.163 -15.574 11.298 1.00 0.00 O ATOM 97 O5' DA A 4 6.309 -16.568 12.168 1.00 0.00 O ATOM 98 C5' DA A 4 7.114 -15.539 12.749 1.00 0.00 C ATOM 99 C4' DA A 4 7.871 -15.779 14.034 1.00 0.00 C ATOM 100 O4' DA A 4 8.442 -14.468 14.211 1.00 0.00 O ATOM 101 C3' DA A 4 7.085 -16.090 15.334 1.00 0.00 C ATOM 102 O3' DA A 4 7.980 -16.705 16.286 1.00 0.00 O ATOM 103 C2' DA A 4 6.715 -14.670 15.798 1.00 0.00 C ATOM 104 C1' DA A 4 8.000 -13.888 15.442 1.00 0.00 C ATOM 105 N9 DA A 4 7.812 -12.408 15.294 1.00 0.00 N ATOM 106 C8 DA A 4 6.673 -11.662 15.008 1.00 0.00 C ATOM 107 N7 DA A 4 6.887 -10.390 14.855 1.00 0.00 N ATOM 108 C5 DA A 4 8.245 -10.251 15.095 1.00 0.00 C ATOM 109 C6 DA A 4 9.088 -9.136 15.072 1.00 0.00 C ATOM 110 N6 DA A 4 8.694 -7.907 14.765 1.00 0.00 N ATOM 111 N1 DA A 4 10.373 -9.330 15.363 1.00 0.00 N ATOM 112 C2 DA A 4 10.816 -10.543 15.627 1.00 0.00 C ATOM 113 N3 DA A 4 10.130 -11.684 15.684 1.00 0.00 N ATOM 114 C4 DA A 4 8.821 -11.462 15.390 1.00 0.00 C ATOM 0 H5' DA A 4 6.464 -14.681 12.917 1.00 0.00 H new ATOM 0 H5'' DA A 4 7.846 -15.243 11.997 1.00 0.00 H new ATOM 0 H4' DA A 4 8.495 -16.665 13.921 1.00 0.00 H new ATOM 0 H3' DA A 4 6.233 -16.760 15.216 1.00 0.00 H new ATOM 0 H2' DA A 4 5.840 -14.282 15.276 1.00 0.00 H new ATOM 0 H2'' DA A 4 6.493 -14.631 16.864 1.00 0.00 H new ATOM 0 H1' DA A 4 8.722 -13.973 16.254 1.00 0.00 H new ATOM 0 H8 DA A 4 5.692 -12.104 14.920 1.00 0.00 H new ATOM 0 H61 DA A 4 9.366 -7.140 14.769 1.00 0.00 H new ATOM 0 H62 DA A 4 7.719 -7.729 14.525 1.00 0.00 H new ATOM 0 H2 DA A 4 11.875 -10.623 15.823 1.00 0.00 H new ATOM 126 P DC A 5 7.711 -16.720 17.885 1.00 0.00 P ATOM 127 OP1 DC A 5 8.263 -17.982 18.427 1.00 0.00 O ATOM 128 OP2 DC A 5 6.279 -16.403 18.101 1.00 0.00 O ATOM 129 O5' DC A 5 8.592 -15.479 18.492 1.00 0.00 O ATOM 130 C5' DC A 5 9.943 -15.662 18.980 1.00 0.00 C ATOM 131 C4' DC A 5 10.322 -14.902 20.267 1.00 0.00 C ATOM 132 O4' DC A 5 10.564 -13.504 20.021 1.00 0.00 O ATOM 133 C3' DC A 5 9.438 -15.014 21.552 1.00 0.00 C ATOM 134 O3' DC A 5 10.222 -15.081 22.764 1.00 0.00 O ATOM 135 C2' DC A 5 8.678 -13.676 21.447 1.00 0.00 C ATOM 136 C1' DC A 5 9.746 -12.676 20.864 1.00 0.00 C ATOM 137 N1 DC A 5 9.133 -11.639 19.991 1.00 0.00 N ATOM 138 C2 DC A 5 9.734 -10.381 19.895 1.00 0.00 C ATOM 139 O2 DC A 5 10.819 -10.144 20.425 1.00 0.00 O ATOM 140 N3 DC A 5 9.106 -9.408 19.183 1.00 0.00 N ATOM 141 C4 DC A 5 7.930 -9.629 18.578 1.00 0.00 C ATOM 142 N4 DC A 5 7.354 -8.634 17.897 1.00 0.00 N ATOM 143 C5 DC A 5 7.296 -10.908 18.645 1.00 0.00 C ATOM 144 C6 DC A 5 7.979 -11.919 19.293 1.00 0.00 C ATOM 0 H5' DC A 5 10.633 -15.362 18.192 1.00 0.00 H new ATOM 0 H5'' DC A 5 10.101 -16.726 19.154 1.00 0.00 H new ATOM 0 H4' DC A 5 11.218 -15.468 20.523 1.00 0.00 H new ATOM 0 H3' DC A 5 8.820 -15.911 21.603 1.00 0.00 H new ATOM 0 H2' DC A 5 7.811 -13.760 20.792 1.00 0.00 H new ATOM 0 H2'' DC A 5 8.312 -13.347 22.420 1.00 0.00 H new ATOM 0 H1' DC A 5 10.269 -12.160 21.670 1.00 0.00 H new ATOM 0 H41 DC A 5 6.459 -8.786 17.431 1.00 0.00 H new ATOM 0 H42 DC A 5 7.809 -7.723 17.843 1.00 0.00 H new ATOM 0 H5 DC A 5 6.323 -11.077 18.207 1.00 0.00 H new ATOM 0 H6 DC A 5 7.607 -12.932 19.252 1.00 0.00 H new ATOM 156 P DG A 6 10.207 -16.337 23.811 1.00 0.00 P ATOM 157 OP1 DG A 6 9.984 -17.586 23.046 1.00 0.00 O ATOM 158 OP2 DG A 6 9.298 -15.986 24.926 1.00 0.00 O ATOM 159 O5' DG A 6 11.717 -16.388 24.394 1.00 0.00 O ATOM 160 C5' DG A 6 12.861 -16.196 23.547 1.00 0.00 C ATOM 161 C4' DG A 6 13.395 -14.770 23.691 1.00 0.00 C ATOM 162 O4' DG A 6 12.358 -13.802 23.455 1.00 0.00 O ATOM 163 C3' DG A 6 14.060 -14.301 25.012 1.00 0.00 C ATOM 164 O3' DG A 6 15.236 -13.577 24.597 1.00 0.00 O ATOM 165 C2' DG A 6 12.994 -13.338 25.576 1.00 0.00 C ATOM 166 C1' DG A 6 12.555 -12.670 24.320 1.00 0.00 C ATOM 167 N9 DG A 6 11.377 -11.824 24.324 1.00 0.00 N ATOM 168 C8 DG A 6 10.116 -12.176 24.618 1.00 0.00 C ATOM 169 N7 DG A 6 9.229 -11.237 24.392 1.00 0.00 N ATOM 170 C5 DG A 6 10.012 -10.157 23.963 1.00 0.00 C ATOM 171 C6 DG A 6 9.648 -8.835 23.556 1.00 0.00 C ATOM 172 O6 DG A 6 8.530 -8.331 23.467 1.00 0.00 O ATOM 173 N1 DG A 6 10.767 -8.080 23.222 1.00 0.00 N ATOM 174 C2 DG A 6 12.069 -8.529 23.271 1.00 0.00 C ATOM 175 N2 DG A 6 13.024 -7.667 22.926 1.00 0.00 N ATOM 176 N3 DG A 6 12.410 -9.762 23.637 1.00 0.00 N ATOM 177 C4 DG A 6 11.335 -10.511 23.964 1.00 0.00 C ATOM 0 H5' DG A 6 12.589 -16.387 22.509 1.00 0.00 H new ATOM 0 H5'' DG A 6 13.640 -16.912 23.809 1.00 0.00 H new ATOM 0 H4' DG A 6 14.194 -14.824 22.952 1.00 0.00 H new ATOM 0 H3' DG A 6 14.343 -15.068 25.733 1.00 0.00 H new ATOM 0 H2' DG A 6 12.180 -13.864 26.074 1.00 0.00 H new ATOM 0 H2'' DG A 6 13.409 -12.635 26.298 1.00 0.00 H new ATOM 0 HO3' DG A 6 15.097 -13.216 23.697 1.00 0.00 H new ATOM 0 H1' DG A 6 13.301 -11.926 24.041 1.00 0.00 H new ATOM 0 H8 DG A 6 9.854 -13.149 25.007 1.00 0.00 H new ATOM 0 H1 DG A 6 10.612 -7.119 22.917 1.00 0.00 H new ATOM 0 H21 DG A 6 14.002 -7.955 22.947 1.00 0.00 H new ATOM 0 H22 DG A 6 12.777 -6.719 22.641 1.00 0.00 H new TER 190 DG A 6 ATOM 191 O5' DC B 7 10.323 0.121 20.441 1.00 0.00 O ATOM 192 C5' DC B 7 11.373 0.860 21.079 1.00 0.00 C ATOM 193 C4' DC B 7 12.646 0.036 21.312 1.00 0.00 C ATOM 194 O4' DC B 7 12.426 -1.136 22.120 1.00 0.00 O ATOM 195 C3' DC B 7 13.379 -0.420 20.067 1.00 0.00 C ATOM 196 O3' DC B 7 14.753 -0.219 20.407 1.00 0.00 O ATOM 197 C2' DC B 7 12.896 -1.860 19.931 1.00 0.00 C ATOM 198 C1' DC B 7 12.711 -2.338 21.375 1.00 0.00 C ATOM 199 N1 DC B 7 11.525 -3.229 21.537 1.00 0.00 N ATOM 200 C2 DC B 7 11.669 -4.504 22.073 1.00 0.00 C ATOM 201 O2 DC B 7 12.775 -4.943 22.373 1.00 0.00 O ATOM 202 N3 DC B 7 10.551 -5.266 22.259 1.00 0.00 N ATOM 203 C4 DC B 7 9.331 -4.834 21.908 1.00 0.00 C ATOM 204 N4 DC B 7 8.266 -5.612 22.135 1.00 0.00 N ATOM 205 C5 DC B 7 9.168 -3.548 21.301 1.00 0.00 C ATOM 206 C6 DC B 7 10.300 -2.769 21.165 1.00 0.00 C ATOM 0 H5' DC B 7 11.012 1.236 22.037 1.00 0.00 H new ATOM 0 H5'' DC B 7 11.619 1.729 20.468 1.00 0.00 H new ATOM 0 H4' DC B 7 13.273 0.762 21.831 1.00 0.00 H new ATOM 0 H3' DC B 7 13.221 0.076 19.109 1.00 0.00 H new ATOM 0 H2' DC B 7 11.962 -1.915 19.372 1.00 0.00 H new ATOM 0 H2'' DC B 7 13.623 -2.474 19.399 1.00 0.00 H new ATOM 0 HO5' DC B 7 9.541 0.700 20.323 1.00 0.00 H new ATOM 0 H1' DC B 7 13.593 -2.892 21.696 1.00 0.00 H new ATOM 0 H41 DC B 7 7.334 -5.291 21.871 1.00 0.00 H new ATOM 0 H42 DC B 7 8.386 -6.526 22.572 1.00 0.00 H new ATOM 0 H5 DC B 7 8.202 -3.202 20.964 1.00 0.00 H new ATOM 0 H6 DC B 7 10.211 -1.774 20.755 1.00 0.00 H new ATOM 219 P DG B 8 15.748 0.641 19.471 1.00 0.00 P ATOM 220 OP1 DG B 8 16.904 1.081 20.283 1.00 0.00 O ATOM 221 OP2 DG B 8 14.962 1.627 18.693 1.00 0.00 O ATOM 222 O5' DG B 8 16.200 -0.541 18.495 1.00 0.00 O ATOM 223 C5' DG B 8 16.863 -1.640 19.122 1.00 0.00 C ATOM 224 C4' DG B 8 16.720 -2.966 18.382 1.00 0.00 C ATOM 225 O4' DG B 8 15.404 -3.561 18.561 1.00 0.00 O ATOM 226 C3' DG B 8 17.001 -2.854 16.840 1.00 0.00 C ATOM 227 O3' DG B 8 17.860 -3.886 16.328 1.00 0.00 O ATOM 228 C2' DG B 8 15.529 -3.206 16.383 1.00 0.00 C ATOM 229 C1' DG B 8 14.940 -4.235 17.373 1.00 0.00 C ATOM 230 N9 DG B 8 13.433 -4.398 17.405 1.00 0.00 N ATOM 231 C8 DG B 8 12.437 -3.581 16.909 1.00 0.00 C ATOM 232 N7 DG B 8 11.221 -4.013 17.089 1.00 0.00 N ATOM 233 C5 DG B 8 11.388 -5.208 17.769 1.00 0.00 C ATOM 234 C6 DG B 8 10.409 -6.137 18.234 1.00 0.00 C ATOM 235 O6 DG B 8 9.183 -6.072 18.144 1.00 0.00 O ATOM 236 N1 DG B 8 10.989 -7.233 18.858 1.00 0.00 N ATOM 237 C2 DG B 8 12.342 -7.410 19.035 1.00 0.00 C ATOM 238 N2 DG B 8 12.726 -8.521 19.658 1.00 0.00 N ATOM 239 N3 DG B 8 13.253 -6.533 18.600 1.00 0.00 N ATOM 240 C4 DG B 8 12.723 -5.457 17.974 1.00 0.00 C ATOM 0 H5' DG B 8 16.471 -1.757 20.132 1.00 0.00 H new ATOM 0 H5'' DG B 8 17.923 -1.403 19.217 1.00 0.00 H new ATOM 0 H4' DG B 8 17.480 -3.606 18.831 1.00 0.00 H new ATOM 0 H3' DG B 8 17.473 -1.921 16.530 1.00 0.00 H new ATOM 0 H2' DG B 8 14.914 -2.306 16.362 1.00 0.00 H new ATOM 0 H2'' DG B 8 15.534 -3.613 15.372 1.00 0.00 H new ATOM 0 H1' DG B 8 15.232 -5.265 17.168 1.00 0.00 H new ATOM 0 H8 DG B 8 12.651 -2.649 16.407 1.00 0.00 H new ATOM 0 H1 DG B 8 10.367 -7.960 19.211 1.00 0.00 H new ATOM 0 H21 DG B 8 13.718 -8.701 19.815 1.00 0.00 H new ATOM 0 H22 DG B 8 12.029 -9.193 19.979 1.00 0.00 H new ATOM 252 P DT B 9 18.603 -3.728 14.890 1.00 0.00 P ATOM 253 OP1 DT B 9 19.915 -3.087 15.129 1.00 0.00 O ATOM 254 OP2 DT B 9 17.650 -3.118 13.937 1.00 0.00 O ATOM 255 O5' DT B 9 18.848 -5.250 14.437 1.00 0.00 O ATOM 256 C5' DT B 9 19.686 -6.126 15.194 1.00 0.00 C ATOM 257 C4' DT B 9 18.949 -7.447 15.532 1.00 0.00 C ATOM 258 O4' DT B 9 17.643 -7.187 16.105 1.00 0.00 O ATOM 259 C3' DT B 9 18.667 -8.304 14.330 1.00 0.00 C ATOM 260 O3' DT B 9 19.468 -9.490 14.320 1.00 0.00 O ATOM 261 C2' DT B 9 17.242 -8.759 14.464 1.00 0.00 C ATOM 262 C1' DT B 9 16.747 -8.275 15.831 1.00 0.00 C ATOM 263 N1 DT B 9 15.325 -8.076 15.283 1.00 0.00 N ATOM 264 C2 DT B 9 14.325 -8.974 15.627 1.00 0.00 C ATOM 265 O2 DT B 9 14.547 -10.051 16.173 1.00 0.00 O ATOM 266 N3 DT B 9 13.027 -8.600 15.304 1.00 0.00 N ATOM 267 C4 DT B 9 12.651 -7.465 14.628 1.00 0.00 C ATOM 268 O4 DT B 9 11.464 -7.242 14.379 1.00 0.00 O ATOM 269 C5 DT B 9 13.754 -6.614 14.270 1.00 0.00 C ATOM 270 C7 DT B 9 13.434 -5.389 13.430 1.00 0.00 C ATOM 271 C6 DT B 9 15.025 -6.905 14.651 1.00 0.00 C ATOM 0 H5' DT B 9 19.996 -5.632 16.115 1.00 0.00 H new ATOM 0 H5'' DT B 9 20.592 -6.345 14.630 1.00 0.00 H new ATOM 0 H4' DT B 9 19.625 -7.956 16.219 1.00 0.00 H new ATOM 0 H3' DT B 9 18.873 -7.729 13.427 1.00 0.00 H new ATOM 0 H2' DT B 9 16.628 -8.347 13.663 1.00 0.00 H new ATOM 0 H2'' DT B 9 17.175 -9.844 14.391 1.00 0.00 H new ATOM 0 H1' DT B 9 16.727 -8.793 16.790 1.00 0.00 H new ATOM 0 H3 DT B 9 12.280 -9.230 15.597 1.00 0.00 H new ATOM 0 H71 DT B 9 12.570 -5.596 12.799 1.00 0.00 H new ATOM 0 H72 DT B 9 13.212 -4.547 14.085 1.00 0.00 H new ATOM 0 H73 DT B 9 14.291 -5.144 12.802 1.00 0.00 H new ATOM 0 H6 DT B 9 15.814 -6.195 14.450 1.00 0.00 H new ATOM 284 P DA B 10 19.993 -9.846 12.846 1.00 0.00 P ATOM 285 OP1 DA B 10 20.996 -8.818 12.487 1.00 0.00 O ATOM 286 OP2 DA B 10 18.818 -10.073 11.976 1.00 0.00 O ATOM 287 O5' DA B 10 20.757 -11.226 13.080 1.00 0.00 O ATOM 288 C5' DA B 10 21.381 -11.895 11.995 1.00 0.00 C ATOM 289 C4' DA B 10 20.454 -13.076 11.547 1.00 0.00 C ATOM 290 O4' DA B 10 19.082 -12.753 11.154 1.00 0.00 O ATOM 291 C3' DA B 10 20.976 -13.920 10.344 1.00 0.00 C ATOM 292 O3' DA B 10 20.811 -15.222 10.921 1.00 0.00 O ATOM 293 C2' DA B 10 19.992 -13.555 9.178 1.00 0.00 C ATOM 294 C1' DA B 10 18.648 -13.345 9.888 1.00 0.00 C ATOM 295 N9 DA B 10 17.655 -12.388 9.381 1.00 0.00 N ATOM 296 C8 DA B 10 17.990 -11.170 8.833 1.00 0.00 C ATOM 297 N7 DA B 10 16.972 -10.486 8.410 1.00 0.00 N ATOM 298 C5 DA B 10 15.881 -11.297 8.692 1.00 0.00 C ATOM 299 C6 DA B 10 14.503 -11.135 8.485 1.00 0.00 C ATOM 300 N6 DA B 10 13.962 -10.048 7.916 1.00 0.00 N ATOM 301 N1 DA B 10 13.695 -12.134 8.884 1.00 0.00 N ATOM 302 C2 DA B 10 14.238 -13.220 9.452 1.00 0.00 C ATOM 303 N3 DA B 10 15.503 -13.473 9.693 1.00 0.00 N ATOM 304 C4 DA B 10 16.290 -12.457 9.284 1.00 0.00 C ATOM 0 H5' DA B 10 22.359 -12.272 12.293 1.00 0.00 H new ATOM 0 H5'' DA B 10 21.544 -11.205 11.167 1.00 0.00 H new ATOM 0 H4' DA B 10 20.468 -13.619 12.492 1.00 0.00 H new ATOM 0 H3' DA B 10 21.981 -13.795 9.942 1.00 0.00 H new ATOM 0 H2' DA B 10 20.311 -12.656 8.651 1.00 0.00 H new ATOM 0 H2'' DA B 10 19.934 -14.354 8.439 1.00 0.00 H new ATOM 0 H1' DA B 10 18.131 -14.302 9.828 1.00 0.00 H new ATOM 0 H8 DA B 10 19.008 -10.816 8.762 1.00 0.00 H new ATOM 0 H61 DA B 10 12.951 -9.987 7.792 1.00 0.00 H new ATOM 0 H62 DA B 10 14.561 -9.282 7.608 1.00 0.00 H new ATOM 0 H2 DA B 10 13.542 -13.989 9.751 1.00 0.00 H new ATOM 316 P DC B 11 20.945 -16.654 10.220 1.00 0.00 P ATOM 317 OP1 DC B 11 21.186 -17.654 11.285 1.00 0.00 O ATOM 318 OP2 DC B 11 21.914 -16.520 9.110 1.00 0.00 O ATOM 319 O5' DC B 11 19.486 -16.913 9.601 1.00 0.00 O ATOM 320 C5' DC B 11 18.369 -17.319 10.409 1.00 0.00 C ATOM 321 C4' DC B 11 17.093 -17.212 9.643 1.00 0.00 C ATOM 322 O4' DC B 11 16.955 -15.932 9.014 1.00 0.00 O ATOM 323 C3' DC B 11 17.135 -18.220 8.542 1.00 0.00 C ATOM 324 O3' DC B 11 16.531 -19.432 8.988 1.00 0.00 O ATOM 325 C2' DC B 11 16.569 -17.470 7.357 1.00 0.00 C ATOM 326 C1' DC B 11 16.042 -16.183 7.942 1.00 0.00 C ATOM 327 N1 DC B 11 16.064 -15.090 6.948 1.00 0.00 N ATOM 328 C2 DC B 11 14.853 -14.562 6.538 1.00 0.00 C ATOM 329 O2 DC B 11 13.796 -15.090 6.875 1.00 0.00 O ATOM 330 N3 DC B 11 14.861 -13.456 5.749 1.00 0.00 N ATOM 331 C4 DC B 11 16.007 -12.884 5.356 1.00 0.00 C ATOM 332 N4 DC B 11 15.964 -11.786 4.599 1.00 0.00 N ATOM 333 C5 DC B 11 17.274 -13.440 5.732 1.00 0.00 C ATOM 334 C6 DC B 11 17.245 -14.601 6.476 1.00 0.00 C ATOM 0 H5' DC B 11 18.315 -16.696 11.302 1.00 0.00 H new ATOM 0 H5'' DC B 11 18.512 -18.346 10.745 1.00 0.00 H new ATOM 0 H4' DC B 11 16.268 -17.366 10.338 1.00 0.00 H new ATOM 0 H3' DC B 11 18.108 -18.598 8.228 1.00 0.00 H new ATOM 0 H2' DC B 11 17.335 -17.280 6.605 1.00 0.00 H new ATOM 0 H2'' DC B 11 15.777 -18.038 6.869 1.00 0.00 H new ATOM 0 H1' DC B 11 15.003 -16.247 8.264 1.00 0.00 H new ATOM 0 H41 DC B 11 16.830 -11.342 4.294 1.00 0.00 H new ATOM 0 H42 DC B 11 15.065 -11.390 4.325 1.00 0.00 H new ATOM 0 H5 DC B 11 18.205 -12.973 5.447 1.00 0.00 H new ATOM 0 H6 DC B 11 18.165 -15.126 6.686 1.00 0.00 H new ATOM 346 P DG B 12 16.366 -20.688 8.016 1.00 0.00 P ATOM 347 OP1 DG B 12 16.395 -21.927 8.825 1.00 0.00 O ATOM 348 OP2 DG B 12 17.304 -20.509 6.883 1.00 0.00 O ATOM 349 O5' DG B 12 14.863 -20.401 7.522 1.00 0.00 O ATOM 350 C5' DG B 12 13.870 -20.060 8.504 1.00 0.00 C ATOM 351 C4' DG B 12 12.513 -19.723 7.898 1.00 0.00 C ATOM 352 O4' DG B 12 12.608 -18.552 7.068 1.00 0.00 O ATOM 353 C3' DG B 12 11.952 -20.843 7.011 1.00 0.00 C ATOM 354 O3' DG B 12 10.518 -20.749 6.958 1.00 0.00 O ATOM 355 C2' DG B 12 12.554 -20.406 5.692 1.00 0.00 C ATOM 356 C1' DG B 12 12.288 -18.910 5.716 1.00 0.00 C ATOM 357 N9 DG B 12 13.123 -18.093 4.823 1.00 0.00 N ATOM 358 C8 DG B 12 14.439 -18.252 4.514 1.00 0.00 C ATOM 359 N7 DG B 12 14.965 -17.238 3.883 1.00 0.00 N ATOM 360 C5 DG B 12 13.878 -16.393 3.663 1.00 0.00 C ATOM 361 C6 DG B 12 13.813 -15.127 3.013 1.00 0.00 C ATOM 362 O6 DG B 12 14.728 -14.466 2.523 1.00 0.00 O ATOM 363 N1 DG B 12 12.516 -14.635 2.985 1.00 0.00 N ATOM 364 C2 DG B 12 11.411 -15.272 3.514 1.00 0.00 C ATOM 365 N2 DG B 12 10.237 -14.653 3.371 1.00 0.00 N ATOM 366 N3 DG B 12 11.473 -16.448 4.142 1.00 0.00 N ATOM 367 C4 DG B 12 12.734 -16.944 4.180 1.00 0.00 C ATOM 0 H5' DG B 12 14.222 -19.208 9.086 1.00 0.00 H new ATOM 0 H5'' DG B 12 13.754 -20.893 9.197 1.00 0.00 H new ATOM 0 H4' DG B 12 11.849 -19.569 8.749 1.00 0.00 H new ATOM 0 H3' DG B 12 12.173 -21.864 7.322 1.00 0.00 H new ATOM 0 H2' DG B 12 13.619 -20.632 5.632 1.00 0.00 H new ATOM 0 H2'' DG B 12 12.077 -20.894 4.842 1.00 0.00 H new ATOM 0 HO3' DG B 12 10.164 -21.465 6.390 1.00 0.00 H new ATOM 0 H1' DG B 12 11.269 -18.721 5.379 1.00 0.00 H new ATOM 0 H8 DG B 12 14.999 -19.140 4.769 1.00 0.00 H new ATOM 0 H1 DG B 12 12.367 -13.730 2.538 1.00 0.00 H new ATOM 0 H21 DG B 12 9.388 -15.078 3.743 1.00 0.00 H new ATOM 0 H22 DG B 12 10.189 -13.755 2.890 1.00 0.00 H new TER 380 DG B 12 HETATM 381 C1 PL1 B 13 18.439 -13.557 23.318 1.00 0.00 C HETATM 382 C10 PL1 B 13 18.552 -8.918 19.364 1.00 0.00 C HETATM 383 C12 PL1 B 13 19.976 -9.101 19.523 1.00 0.00 C HETATM 384 C13 PL1 B 13 21.811 -10.579 20.104 1.00 0.00 C HETATM 385 C14 PL1 B 13 21.884 -11.564 21.250 1.00 0.00 C HETATM 386 C2 PL1 B 13 17.646 -12.492 22.550 1.00 0.00 C HETATM 387 C27 PL1 B 13 21.388 -12.902 20.807 1.00 0.00 C HETATM 388 C28 PL1 B 13 22.175 -13.995 20.732 1.00 0.00 C HETATM 389 C29 PL1 B 13 20.188 -14.515 20.082 1.00 0.00 C HETATM 390 C3 PL1 B 13 16.870 -13.186 21.427 1.00 0.00 C HETATM 391 C30 PL1 B 13 22.601 -11.015 18.864 1.00 0.00 C HETATM 392 C31 PL1 B 13 22.277 -11.484 16.414 1.00 0.00 C HETATM 393 C33 PL1 B 13 21.418 -12.701 16.068 1.00 0.00 C HETATM 394 C34 PL1 B 13 21.606 -14.082 16.854 1.00 0.00 C HETATM 395 C36 PL1 B 13 20.425 -15.080 16.544 1.00 0.00 C HETATM 396 C37 PL1 B 13 18.471 -15.854 15.101 1.00 0.00 C HETATM 397 C38 PL1 B 13 17.539 -15.241 16.206 1.00 0.00 C HETATM 398 C4 PL1 B 13 14.094 -11.851 21.577 1.00 0.00 C HETATM 399 C40 PL1 B 13 17.897 -15.419 13.680 1.00 0.00 C HETATM 400 C41 PL1 B 13 15.814 -14.249 12.538 1.00 0.00 C HETATM 401 C42 PL1 B 13 15.967 -12.723 12.755 1.00 0.00 C HETATM 402 C43 PL1 B 13 15.010 -11.741 12.179 1.00 0.00 C HETATM 403 C44 PL1 B 13 13.802 -9.768 11.288 1.00 0.00 C HETATM 404 C45 PL1 B 13 13.032 -10.768 11.774 1.00 0.00 C HETATM 405 C46 PL1 B 13 11.699 -10.695 11.849 1.00 0.00 C HETATM 406 C47 PL1 B 13 9.295 -10.917 12.264 1.00 0.00 C HETATM 407 C48 PL1 B 13 9.660 -9.753 11.676 1.00 0.00 C HETATM 408 C49 PL1 B 13 8.786 -8.622 11.303 1.00 0.00 C HETATM 409 C5 PL1 B 13 15.040 -10.867 21.070 1.00 0.00 C HETATM 410 C51 PL1 B 13 6.484 -7.533 11.219 1.00 0.00 C HETATM 411 C52 PL1 B 13 7.148 -6.113 11.079 1.00 0.00 C HETATM 412 C53 PL1 B 13 6.213 -4.828 10.930 1.00 0.00 C HETATM 413 C54 PL1 B 13 6.928 -2.136 11.068 1.00 0.00 C HETATM 414 C56 PL1 B 13 7.235 -1.001 9.941 1.00 0.00 C HETATM 415 C57 PL1 B 13 8.474 -0.342 9.806 1.00 0.00 C HETATM 416 C58 PL1 B 13 8.703 0.625 8.852 1.00 0.00 C HETATM 417 C59 PL1 B 13 7.718 0.987 7.983 1.00 0.00 C HETATM 418 C6 PL1 B 13 15.887 -11.370 19.873 1.00 0.00 C HETATM 419 C60 PL1 B 13 6.501 0.386 8.064 1.00 0.00 C HETATM 420 C61 PL1 B 13 6.260 -0.581 9.014 1.00 0.00 C HETATM 421 C7 PL1 B 13 16.544 -10.088 19.572 1.00 0.00 C HETATM 422 C8 PL1 B 13 16.524 -7.784 19.143 1.00 0.00 C HETATM 423 C9 PL1 B 13 17.883 -7.736 19.127 1.00 0.00 C HETATM 424 CA PL1 B 13 18.501 -6.395 18.752 1.00 0.00 C HETATM 425 CB PL1 B 13 22.039 -10.048 15.798 1.00 0.00 C HETATM 426 CC PL1 B 13 23.055 -14.592 16.865 1.00 0.00 C HETATM 427 CD PL1 B 13 17.666 -13.702 16.075 1.00 0.00 C HETATM 428 CE PL1 B 13 7.900 -2.132 12.340 1.00 0.00 C HETATM 429 NA PL1 B 13 17.800 -14.347 24.184 1.00 0.00 N HETATM 430 NB PL1 B 13 18.484 -11.380 21.987 1.00 0.00 N HETATM 431 NC PL1 B 13 16.954 -12.439 20.136 1.00 0.00 N HETATM 432 ND PL1 B 13 13.128 -12.353 20.817 1.00 0.00 N HETATM 433 NE PL1 B 13 15.851 -8.940 19.353 1.00 0.00 N HETATM 434 NF PL1 B 13 15.776 -6.707 19.005 1.00 0.00 N HETATM 435 NG PL1 B 13 17.865 -10.052 19.611 1.00 0.00 N HETATM 436 NH PL1 B 13 20.374 -10.343 19.873 1.00 0.00 N HETATM 437 NI PL1 B 13 21.423 -14.991 20.271 1.00 0.00 N HETATM 438 NJ PL1 B 13 20.125 -13.194 20.395 1.00 0.00 N HETATM 439 NK PL1 B 13 21.895 -11.170 17.759 1.00 0.00 N HETATM 440 NL PL1 B 13 19.787 -15.153 15.335 1.00 0.00 N HETATM 441 NM PL1 B 13 16.645 -14.876 13.583 1.00 0.00 N HETATM 442 NN PL1 B 13 13.687 -11.842 12.249 1.00 0.00 N HETATM 443 NO PL1 B 13 10.977 -9.643 11.452 1.00 0.00 N HETATM 444 NP PL1 B 13 7.454 -8.608 11.528 1.00 0.00 N HETATM 445 NQ PL1 B 13 6.951 -3.552 10.502 1.00 0.00 N HETATM 446 O1 PL1 B 13 19.641 -13.665 23.126 1.00 0.00 O HETATM 447 O12 PL1 B 13 20.755 -8.164 19.367 1.00 0.00 O HETATM 448 O1P PL1 B 13 18.998 -11.897 18.112 1.00 0.00 O HETATM 449 O2P PL1 B 13 19.236 -10.694 17.344 1.00 0.00 O HETATM 450 O30 PL1 B 13 23.818 -11.202 18.913 1.00 0.00 O HETATM 451 O36 PL1 B 13 20.032 -15.786 17.475 1.00 0.00 O HETATM 452 O4 PL1 B 13 14.303 -12.151 22.732 1.00 0.00 O HETATM 453 O40 PL1 B 13 18.614 -15.546 12.693 1.00 0.00 O HETATM 454 O49 PL1 B 13 9.352 -7.665 10.780 1.00 0.00 O HETATM 455 OH1 PL1 B 13 21.077 -11.039 22.300 1.00 0.00 O HETATM 456 OH2 PL1 B 13 21.493 -13.057 14.717 1.00 0.00 O HETATM 457 OH3 PL1 B 13 16.153 -15.464 16.069 1.00 0.00 O HETATM 458 S43 PL1 B 13 15.548 -10.180 11.461 1.00 0.00 S HETATM 459 S46 PL1 B 13 10.707 -11.987 12.575 1.00 0.00 S HETATM 460 CO PL1 B 13 18.829 -11.660 20.045 1.00 0.00 CO HETATM 0 HO3 PL1 B 13 15.678 -15.038 16.813 1.00 0.00 H new HETATM 0 HO2 PL1 B 13 20.930 -12.454 14.188 1.00 0.00 H new HETATM 0 HO1 PL1 B 13 20.979 -11.712 23.005 1.00 0.00 H new HETATM 0 HNQ PL1 B 13 7.565 -3.672 9.697 1.00 0.00 H new HETATM 0 HNP PL1 B 13 7.068 -9.444 11.966 1.00 0.00 H new HETATM 0 HNM PL1 B 13 16.153 -14.915 14.475 1.00 0.00 H new HETATM 0 HNL PL1 B 13 20.232 -14.702 14.536 1.00 0.00 H new HETATM 0 HNK PL1 B 13 20.891 -11.043 17.886 1.00 0.00 H new HETATM 0 HNI PL1 B 13 21.733 -15.946 20.094 1.00 0.00 H new HETATM 0 HNC PL1 B 13 17.691 -12.632 19.458 1.00 0.00 H new HETATM 0 HF2 PL1 B 13 14.759 -6.787 19.023 1.00 0.00 H new HETATM 0 HF1 PL1 B 13 16.214 -5.794 18.880 1.00 0.00 H new HETATM 0 HEC PL1 B 13 8.927 -2.296 12.014 1.00 0.00 H new HETATM 0 HEB PL1 B 13 7.830 -1.170 12.848 1.00 0.00 H new HETATM 0 HEA PL1 B 13 7.606 -2.927 13.025 1.00 0.00 H new HETATM 0 HDC PL1 B 13 18.704 -13.408 16.231 1.00 0.00 H new HETATM 0 HDB PL1 B 13 17.347 -13.394 15.079 1.00 0.00 H new HETATM 0 HDA PL1 B 13 17.036 -13.220 16.823 1.00 0.00 H new HETATM 0 HD2 PL1 B 13 12.481 -13.041 21.203 1.00 0.00 H new HETATM 0 HD1 PL1 B 13 13.033 -12.051 19.848 1.00 0.00 H new HETATM 0 HCC PL1 B 13 23.392 -14.753 15.841 1.00 0.00 H new HETATM 0 HCB PL1 B 13 23.697 -13.854 17.347 1.00 0.00 H new HETATM 0 HCA PL1 B 13 23.106 -15.531 17.415 1.00 0.00 H new HETATM 0 HBC PL1 B 13 22.137 -10.096 14.714 1.00 0.00 H new HETATM 0 HBB PL1 B 13 21.038 -9.702 16.057 1.00 0.00 H new HETATM 0 HBA PL1 B 13 22.777 -9.353 16.199 1.00 0.00 H new HETATM 0 HB2 PL1 B 13 18.043 -10.626 21.460 1.00 0.00 H new HETATM 0 HB1 PL1 B 13 19.494 -11.379 22.131 1.00 0.00 H new HETATM 0 HAC PL1 B 13 19.183 -6.076 19.540 1.00 0.00 H new HETATM 0 HAB PL1 B 13 19.050 -6.497 17.816 1.00 0.00 H new HETATM 0 HAA PL1 B 13 17.713 -5.652 18.631 1.00 0.00 H new HETATM 0 HA2 PL1 B 13 18.316 -15.059 24.701 1.00 0.00 H new HETATM 0 HA1 PL1 B 13 16.796 -14.238 24.329 1.00 0.00 H new HETATM 0 H8X PL1 B 13 5.433 -5.044 10.200 1.00 0.00 H new HETATM 0 H8E PL1 B 13 5.716 -4.643 11.882 1.00 0.00 H new HETATM 0 H7X PL1 B 13 7.781 -5.959 11.953 1.00 0.00 H new HETATM 0 H7E PL1 B 13 7.806 -6.143 10.211 1.00 0.00 H new HETATM 0 H6X PL1 B 13 5.730 -7.497 12.005 1.00 0.00 H new HETATM 0 H6E PL1 B 13 5.966 -7.777 10.291 1.00 0.00 H new HETATM 0 H61 PL1 B 13 5.273 -1.042 9.051 1.00 0.00 H new HETATM 0 H60 PL1 B 13 5.710 0.672 7.371 1.00 0.00 H new HETATM 0 H6 PL1 B 13 15.281 -11.877 19.122 1.00 0.00 H new HETATM 0 H5X PL1 B 13 14.493 -9.974 20.766 1.00 0.00 H new HETATM 0 H5E PL1 B 13 15.710 -10.571 21.878 1.00 0.00 H new HETATM 0 H59 PL1 B 13 7.904 1.752 7.229 1.00 0.00 H new HETATM 0 H58 PL1 B 13 9.680 1.104 8.792 1.00 0.00 H new HETATM 0 H57 PL1 B 13 9.284 -0.609 10.485 1.00 0.00 H new HETATM 0 H54 PL1 B 13 5.929 -1.854 11.399 1.00 0.00 H new HETATM 0 H47 PL1 B 13 8.267 -11.175 12.519 1.00 0.00 H new HETATM 0 H44 PL1 B 13 13.421 -8.844 10.853 1.00 0.00 H new HETATM 0 H3X PL1 B 13 17.261 -14.194 21.287 1.00 0.00 H new HETATM 0 H3E PL1 B 13 15.825 -13.287 21.719 1.00 0.00 H new HETATM 0 H38 PL1 B 13 17.862 -15.708 17.136 1.00 0.00 H new HETATM 0 H37 PL1 B 13 18.550 -16.941 15.133 1.00 0.00 H new HETATM 0 H34 PL1 B 13 21.485 -13.922 17.925 1.00 0.00 H new HETATM 0 H33 PL1 B 13 20.465 -12.282 16.391 1.00 0.00 H new HETATM 0 H31 PL1 B 13 23.262 -11.818 16.089 1.00 0.00 H new HETATM 0 H2X PL1 B 13 15.974 -12.559 13.833 1.00 0.00 H new HETATM 0 H2E PL1 B 13 16.956 -12.451 12.385 1.00 0.00 H new HETATM 0 H29 PL1 B 13 19.345 -15.107 19.725 1.00 0.00 H new HETATM 0 H28 PL1 B 13 23.230 -14.052 20.999 1.00 0.00 H new HETATM 0 H2 PL1 B 13 16.977 -12.013 23.265 1.00 0.00 H new HETATM 0 H1X PL1 B 13 14.772 -14.556 12.627 1.00 0.00 H new HETATM 0 H1E PL1 B 13 16.148 -14.540 11.542 1.00 0.00 H new HETATM 0 H14 PL1 B 13 22.910 -11.698 21.593 1.00 0.00 H new HETATM 0 H13 PL1 B 13 22.308 -9.642 20.355 1.00 0.00 H new CONECT 381 386 429 446 CONECT 382 383 423 435 CONECT 383 382 436 447 CONECT 384 385 391 436 461 CONECT 385 384 387 455 462 CONECT 386 381 390 430 463 CONECT 387 385 388 438 CONECT 388 387 437 464 CONECT 389 437 438 465 CONECT 390 386 431 466 467 CONECT 391 384 439 450 CONECT 392 393 425 439 468 CONECT 393 392 394 456 469 CONECT 394 393 395 426 470 CONECT 395 394 440 451 CONECT 396 397 399 440 471 CONECT 397 396 427 457 472 CONECT 398 409 432 452 CONECT 399 396 441 453 CONECT 400 401 441 473 474 CONECT 401 400 402 475 476 CONECT 402 401 442 458 CONECT 403 404 458 477 CONECT 404 403 405 442 CONECT 405 404 443 459 CONECT 406 407 459 478 CONECT 407 406 408 443 CONECT 408 407 444 454 CONECT 409 398 418 479 480 CONECT 410 411 444 481 482 CONECT 411 410 412 483 484 CONECT 412 411 445 485 486 CONECT 413 414 428 445 487 CONECT 414 413 415 420 CONECT 415 414 416 488 CONECT 416 415 417 489 CONECT 417 416 419 490 CONECT 418 409 421 431 491 CONECT 419 417 420 492 CONECT 420 414 419 493 CONECT 421 418 433 435 CONECT 422 423 433 434 CONECT 423 382 422 424 CONECT 424 423 494 495 496 CONECT 425 392 497 498 499 CONECT 426 394 500 501 502 CONECT 427 397 503 504 505 CONECT 428 413 506 507 508 CONECT 429 381 509 510 CONECT 430 386 511 512 CONECT 431 390 418 513 CONECT 432 398 514 515 CONECT 433 421 422 CONECT 434 422 516 517 CONECT 435 382 421 460 CONECT 436 383 384 CONECT 437 388 389 518 CONECT 438 387 389 CONECT 439 391 392 519 CONECT 440 395 396 520 CONECT 441 399 400 521 CONECT 442 402 404 CONECT 443 405 407 CONECT 444 408 410 522 CONECT 445 412 413 523 CONECT 446 381 CONECT 447 383 CONECT 448 449 460 CONECT 449 448 524 CONECT 450 391 CONECT 451 395 CONECT 452 398 CONECT 453 399 CONECT 454 408 CONECT 455 385 525 CONECT 456 393 526 CONECT 457 397 527 CONECT 458 402 403 CONECT 459 405 406 CONECT 460 435 448 CONECT 461 384 CONECT 462 385 CONECT 463 386 CONECT 464 388 CONECT 465 389 CONECT 466 390 CONECT 467 390 CONECT 468 392 CONECT 469 393 CONECT 470 394 CONECT 471 396 CONECT 472 397 CONECT 473 400 CONECT 474 400 CONECT 475 401 CONECT 476 401 CONECT 477 403 CONECT 478 406 CONECT 479 409 CONECT 480 409 CONECT 481 410 CONECT 482 410 CONECT 483 411 CONECT 484 411 CONECT 485 412 CONECT 486 412 CONECT 487 413 CONECT 488 415 CONECT 489 416 CONECT 490 417 CONECT 491 418 CONECT 492 419 CONECT 493 420 CONECT 494 424 CONECT 495 424 CONECT 496 424 CONECT 497 425 CONECT 498 425 CONECT 499 425 CONECT 500 426 CONECT 501 426 CONECT 502 426 CONECT 503 427 CONECT 504 427 CONECT 505 427 CONECT 506 428 CONECT 507 428 CONECT 508 428 CONECT 509 429 CONECT 510 429 CONECT 511 430 CONECT 512 430 CONECT 513 431 CONECT 514 432 CONECT 515 432 CONECT 516 434 CONECT 517 434 CONECT 518 437 CONECT 519 439 CONECT 520 440 CONECT 521 441 CONECT 522 444 CONECT 523 445 CONECT 524 449 CONECT 525 455 CONECT 526 456 CONECT 527 457 END