USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 697 hydrogens (0 hets) HEADER DNA BINDING PROTEIN/DNA 31-DEC-96 1YUI TITLE SOLUTION NMR STRUCTURE OF THE GAGA FACTOR/DNA COMPLEX, TITLE 2 REGULARIZED MEAN STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*GP*CP*CP*GP*AP*GP*AP*GP*TP*AP*C)-3'); COMPND 3 CHAIN: B; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: DNA (5'-D(*GP*TP*AP*CP*TP*CP*TP*CP*GP*GP*C)-3'); COMPND 7 CHAIN: C; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 0 MOLECULE: GAGA-FACTOR; COMPND 1 CHAIN: A; COMPND 2 FRAGMENT: DNA BINDING DOMAIN, RESIDUES 310 - 372 SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 MOL_ID: 2; SOURCE 4 SYNTHETIC: YES; SOURCE 5 MOL_ID: 3; SOURCE 6 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; SOURCE 7 ORGANISM_COMMON: FRUIT FLY; SOURCE 8 ORGANISM_TAXID: 7227 KEYWDS COMPLEX (DNA-BINDING PROTEIN/DNA), CHROMATIN REMODELING, KEYWDS 2 DNA BINDING PROTEIN/DNA COMPLEX EXPDTA SOLUTION NMR AUTHOR G.M.CLORE,J.G.OMICHINSKI,A.M.GRONENBORN REVDAT 2 24-FEB-09 1YUI 1 VERSN REVDAT 1 31-DEC-97 1YUI 0 JRNL AUTH J.G.OMICHINSKI,P.V.PEDONE,G.FELSENFELD, JRNL AUTH 2 A.M.GRONENBORN,G.M.CLORE JRNL TITL THE SOLUTION STRUCTURE OF A SPECIFIC GAGA JRNL TITL 2 FACTOR-DNA COMPLEX REVEALS A MODULAR BINDING MODE. JRNL REF NAT.STRUCT.BIOL. V. 4 122 1997 JRNL REFN ISSN 1072-8368 JRNL PMID 9033593 JRNL DOI 10.1038/NSB0297-122 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR (SEE ABOVE) REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 THE 3D STRUCTURE OF THE GAGA FACTOR/DNA COMPLEX WAS SOLVED REMARK 3 BY MULTI-DIMENSIONAL HETERONUCLEAR-EDITED AND -FILTERED REMARK 3 NMR AND IS BASED ON 1475 EXPERIMENTAL NMR RESTRAINTS: REMARK 3 (A) INTRAPROTEIN: 188 SEQUENTIAL (|I- J|=1), 134 MEDIUM REMARK 3 RANGE (1 < |I-J| <=5) AND 95 LONG RANGE (|I-J| >5) REMARK 3 INTERRESIDUES AND 275 INTRARESIDUE APPROXIMATE INTERPROTON REMARK 3 DISTANCE RESTRAINTS; 140 TORSION ANGLE RESTRAINTS; 33 REMARK 3 THREE-BOND HN-HA COUPLING CONSTANT RESTRAINTS; AND 94 REMARK 3 (48 CALPHA AND 46 CBETA) 13C SHIFT RESTRAINTS. (NUMBERS REMARK 3 OF RESIDUES 10 - 61) REMARK 3 (B) INTRA-DNA: 124 INTRARESIDUE, 112 SEQUENTIAL REMARK 3 INTRASTRAND, 21 INTERSTRAND INTERPROTON DISTANCE REMARK 3 RESTRAINTS; 102 TORSION ANGLE RESTRAINTS (FOR ALPHA, BETA, REMARK 3 GAMMA, DELTA, EPSILON AND AND ZETA BACKBONE TORSION REMARK 3 ANGLES). REMARK 3 (C) INTERMOLECULAR: 75 INTERPROTON DISTANCE RESTRAINTS. REMARK 3 THE EXPERIMENTAL NMR RESTRAINTS ARE SUPPLEMENTED BY REMARK 3 HYDROGEN BONDING RESTRAINTS: 24 DISTANCES FOR 12 BACKBONE REMARK 3 HYDROGEN BONDS WITHIN THE PROTEIN, 58 DISTANCES FOR REMARK 3 WATSON-CRICK BASE-PAIRING WITHIN THE DNA, AND 10 AMBIGUOUS REMARK 3 DISTANCE RESTRAINTS BETWEEN THE PROTEIN AND THE DNA. THE REMARK 3 RESTRAINTS HAVE BEEN DEPOSITED. REMARK 3 REMARK 3 THE STRUCTURES WERE CALCULATED USING THE SIMULATED REMARK 3 ANNEALING PROTOCOL OF NILGES ET AL. (1988) FEBS LETT. 229, REMARK 3 129-136 USING THE PROGRAM X-PLOR 3.1 (BRUNGER) MODIFIED REMARK 3 TO INCORPORATE COUPLING CONSTANT (GARRETT ET AL. (1984) J. REMARK 3 MAGN. RESON. SERIES B 104, 99-103) AND CARBON CHEMICAL REMARK 3 SHIFT (KUSZEWSKI ET AL. (1995) J. MAGN. RESON. SERIES B REMARK 3 106, 92-96) RESTRAINTS, AND A CONFORMATIONAL DATABASE REMARK 3 POTENTIAL (KUSZEWSKI ET AL.(1996) PROTEIN SCI. 5, 1067-1080 REMARK 3 REMARK 3 THE RESTRAINED REGULARIZED MEAN STRUCTURE IS PRESENTED IN REMARK 3 THIS ENTRY AND 50 STRUCTURES ARE PRESENTED IN ENTRY 1YUJ. REMARK 3 IN THE RESTRAINED REGULARIZED MEAN COORDINATES THE LAST REMARK 3 COLUMN REPRESENTS THE AVERAGE RMS DIFFERENCE BETWEEN THE REMARK 3 INDIVIDUAL SIMULATED ANNEALING STRUCTURES AND THE MEAN REMARK 3 COORDINATE POSITIONS. THE LAST COLUMN IN THE INDIVIDUAL SA REMARK 3 STRUCTURES HAS NO MEANING. BEST FITTING TO GENERATE THE REMARK 3 AVERAGE STRUCTURE IS WITH RESPECT TO RESIDUES 14 - 58 OF REMARK 3 THE PROTEIN AND BASE PAIRS 1 - 11 OF THE DNA (RESIDUES 10 - REMARK 3 13 AND 59 - 61 ARE DISORDERED IN SOLUTION). RESIDUE 10 REMARK 3 CORRESPONDS TO RESIDUE 319 OF THE NATURAL SEQUENCE. NOTE REMARK 3 THE OCCUPANCY FIELD HAS NO MEANING. REMARK 4 REMARK 4 1YUI 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) : 303.50 REMARK 210 PH : 6.00 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : TRIPLE RESONANCE REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : AMX500, AMX600 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR (SEE ABOVE) REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : REGULARIZED MEAN STRUCTURE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: TRIPLE RESONANCE FOR ASSIGNMENT OF PROTEIN 12C- REMARK 210 FILTERED NOE, 12C-FILTERED HOHAHA AND 1H-1H NOE FOR DNA. REMARK 210 QUANTITATIVE J CORRELATION FOR COUPLING CONSTANTS 3D 15N- REMARK 210 SEPARATED, 3D 13C-SEPARATED, 3D 12C-FILTERED 3D 13C- REMARK 210 SEPARATED/12C-FILTERED, AND 2D 1H-1H NOE EXPERIMENTS. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DG B 101 O4' - C1' - N9 ANGL. DEV. = 2.1 DEGREES REMARK 500 DC B 102 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES REMARK 500 DC B 103 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES REMARK 500 DG B 104 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES REMARK 500 DA B 105 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES REMARK 500 DG B 106 O4' - C1' - N9 ANGL. DEV. = 2.3 DEGREES REMARK 500 DA B 107 O4' - C1' - N9 ANGL. DEV. = 2.3 DEGREES REMARK 500 DG B 108 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES REMARK 500 DT B 109 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES REMARK 500 DA B 110 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES REMARK 500 DC B 111 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES REMARK 500 DG C 112 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES REMARK 500 DT C 113 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES REMARK 500 DT C 113 C6 - C5 - C7 ANGL. DEV. = -3.7 DEGREES REMARK 500 DA C 114 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES REMARK 500 DC C 115 O4' - C1' - N1 ANGL. DEV. = 1.8 DEGREES REMARK 500 DT C 116 O4' - C1' - N1 ANGL. DEV. = 1.9 DEGREES REMARK 500 DC C 117 O4' - C1' - N1 ANGL. DEV. = 3.1 DEGREES REMARK 500 DT C 118 O4' - C1' - N1 ANGL. DEV. = 3.3 DEGREES REMARK 500 DC C 119 O4' - C1' - N1 ANGL. DEV. = 2.4 DEGREES REMARK 500 DG C 120 O4' - C1' - N9 ANGL. DEV. = 2.7 DEGREES REMARK 500 DG C 121 O4' - C1' - N9 ANGL. DEV. = 2.3 DEGREES REMARK 500 DC C 122 O4' - C1' - N1 ANGL. DEV. = 2.0 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ALA A 12 76.32 -159.26 REMARK 500 LYS A 23 76.45 -104.38 REMARK 500 PRO A 33 152.93 -37.70 REMARK 500 TYR A 40 17.58 52.98 REMARK 500 HIS A 57 -73.20 -152.68 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 64 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 36 SG REMARK 620 2 CYS A 39 SG 107.3 REMARK 620 3 HIS A 52 NE2 106.2 107.5 REMARK 620 4 HIS A 57 NE2 107.3 121.4 106.3 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 64 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1YUJ RELATED DB: PDB REMARK 900 ENSEMBLE OF 50 STRUCTURES DBREF 1YUI A 10 63 UNP Q08605 GAGA_DROME 319 372 DBREF 1YUI B 101 111 PDB 1YUI 1YUI 101 111 DBREF 1YUI C 112 122 PDB 1YUI 1YUI 112 122 SEQRES 1 B 11 DG DC DC DG DA DG DA DG DT DA DC SEQRES 1 C 11 DG DT DA DC DT DC DT DC DG DG DC SEQRES 1 A 54 PRO LYS ALA LYS ARG ALA LYS HIS PRO PRO GLY THR GLU SEQRES 2 A 54 LYS PRO ARG SER ARG SER GLN SER GLU GLN PRO ALA THR SEQRES 3 A 54 CYS PRO ILE CYS TYR ALA VAL ILE ARG GLN SER ARG ASN SEQRES 4 A 54 LEU ARG ARG HIS LEU GLU LEU ARG HIS PHE ALA LYS PRO SEQRES 5 A 54 GLY VAL HET ZN A 64 1 HETNAM ZN ZINC ION FORMUL 4 ZN ZN 2+ HELIX 1 1 ARG A 25 SER A 28 1 4 HELIX 2 2 SER A 46 ARG A 56 1 11 SHEET 1 A 2 ALA A 34 THR A 35 0 SHEET 2 A 2 VAL A 42 ILE A 43 -1 N ILE A 43 O ALA A 34 LINK ZN ZN A 64 SG CYS A 36 1555 1555 2.30 LINK ZN ZN A 64 SG CYS A 39 1555 1555 2.31 LINK ZN ZN A 64 NE2 HIS A 52 1555 1555 2.00 LINK ZN ZN A 64 NE2 HIS A 57 1555 1555 2.01 SITE *** AC1 4 CYS A 36 CYS A 39 HIS A 52 HIS A 57 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: A 52 HIS HE2 : A 52 HIS NE2 : A 64 ZNZN :(H bumps) USER MOD NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 64 ZNZN :(H bumps) USER MOD Set 1.1: A 45 GLN : amide:sc= -2.34 X(o=-4.1,f=-4!) USER MOD Set 1.2: A 48 ASN : amide:sc= -1.79 X(o=-4.1,f=-4!) USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= -2.08! (180deg=-2.49!) USER MOD Single : A 13 LYS NZ :NH3+ -150:sc= -0.484 (180deg=-1.85!) USER MOD Single : A 16 LYS NZ :NH3+ -122:sc= 0.217 (180deg=-0.417) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 30 SER OG : rot -65:sc= 0.928 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -74:sc= 0.556 USER MOD Single : A 60 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.291) USER MOD Single : B 101 DG O5' : rot 180:sc= -0.461 USER MOD Single : B 109 DT C7 :methyl -30:sc= -0.135 (180deg=-0.539) USER MOD Single : B 111 DC O3' : rot 180:sc= 0 USER MOD Single : C 112 DG O5' : rot 180:sc= 0 USER MOD Single : C 113 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 116 DT C7 :methyl -30:sc= -2.26! (180deg=-4.01!) USER MOD Single : C 118 DT C7 :methyl -30:sc= 0 (180deg=-0.161) USER MOD Single : C 122 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG B 101 -21.518 12.795 27.858 1.00 1.05 O ATOM 2 C5' DG B 101 -21.490 13.212 29.225 1.00 1.01 C ATOM 3 C4' DG B 101 -20.493 12.388 30.045 1.00 0.85 C ATOM 4 O4' DG B 101 -20.968 11.031 30.192 1.00 0.84 O ATOM 5 C3' DG B 101 -19.104 12.345 29.394 1.00 0.72 C ATOM 6 O3' DG B 101 -18.131 12.971 30.234 1.00 0.70 O ATOM 7 C2' DG B 101 -18.783 10.876 29.207 1.00 0.63 C ATOM 8 C1' DG B 101 -19.995 10.089 29.696 1.00 0.70 C ATOM 9 N9 DG B 101 -20.571 9.283 28.600 1.00 0.69 N ATOM 10 C8 DG B 101 -21.162 9.704 27.443 1.00 0.73 C ATOM 11 N7 DG B 101 -21.581 8.756 26.660 1.00 0.73 N ATOM 12 C5 DG B 101 -21.241 7.596 27.354 1.00 0.68 C ATOM 13 C6 DG B 101 -21.444 6.233 27.004 1.00 0.67 C ATOM 14 O6 DG B 101 -21.974 5.777 25.993 1.00 0.70 O ATOM 15 N1 DG B 101 -20.952 5.378 27.981 1.00 0.65 N ATOM 16 C2 DG B 101 -20.341 5.779 29.151 1.00 0.64 C ATOM 17 N2 DG B 101 -19.934 4.807 29.968 1.00 0.66 N ATOM 18 N3 DG B 101 -20.149 7.059 29.484 1.00 0.65 N ATOM 19 C4 DG B 101 -20.622 7.910 28.543 1.00 0.66 C ATOM 0 H5' DG B 101 -22.486 13.114 29.657 1.00 1.01 H new ATOM 0 H5'' DG B 101 -21.222 14.267 29.279 1.00 1.01 H new ATOM 0 H4' DG B 101 -20.409 12.874 31.017 1.00 0.85 H new ATOM 0 H3' DG B 101 -19.090 12.883 28.446 1.00 0.72 H new ATOM 0 H2' DG B 101 -18.578 10.656 28.159 1.00 0.63 H new ATOM 0 H2'' DG B 101 -17.892 10.601 29.771 1.00 0.63 H new ATOM 0 HO5' DG B 101 -22.165 13.340 27.363 1.00 1.05 H new ATOM 0 H1' DG B 101 -19.697 9.402 30.488 1.00 0.70 H new ATOM 0 H8 DG B 101 -21.273 10.750 27.197 1.00 0.73 H new ATOM 0 H1 DG B 101 -21.050 4.375 27.821 1.00 0.65 H new ATOM 0 H21 DG B 101 -19.475 5.040 30.849 1.00 0.66 H new ATOM 0 H22 DG B 101 -20.082 3.831 29.712 1.00 0.66 H new ATOM 31 P DC B 102 -16.639 13.243 29.694 1.00 0.64 P ATOM 32 OP1 DC B 102 -16.094 14.418 30.411 1.00 0.68 O ATOM 33 OP2 DC B 102 -16.673 13.233 28.214 1.00 0.69 O ATOM 34 O5' DC B 102 -15.841 11.936 30.189 1.00 0.57 O ATOM 35 C5' DC B 102 -15.613 11.711 31.582 1.00 0.57 C ATOM 36 C4' DC B 102 -15.221 10.257 31.863 1.00 0.51 C ATOM 37 O4' DC B 102 -16.133 9.356 31.198 1.00 0.50 O ATOM 38 C3' DC B 102 -13.798 9.937 31.387 1.00 0.47 C ATOM 39 O3' DC B 102 -12.948 9.638 32.498 1.00 0.50 O ATOM 40 C2' DC B 102 -13.931 8.732 30.478 1.00 0.43 C ATOM 41 C1' DC B 102 -15.412 8.376 30.422 1.00 0.43 C ATOM 42 N1 DC B 102 -15.893 8.373 29.014 1.00 0.41 N ATOM 43 C2 DC B 102 -16.238 7.154 28.438 1.00 0.41 C ATOM 44 O2 DC B 102 -16.137 6.117 29.090 1.00 0.43 O ATOM 45 N3 DC B 102 -16.683 7.148 27.153 1.00 0.41 N ATOM 46 C4 DC B 102 -16.788 8.286 26.456 1.00 0.42 C ATOM 47 N4 DC B 102 -17.230 8.244 25.198 1.00 0.46 N ATOM 48 C5 DC B 102 -16.435 9.543 27.040 1.00 0.44 C ATOM 49 C6 DC B 102 -15.994 9.540 28.314 1.00 0.43 C ATOM 0 H5' DC B 102 -16.513 11.960 32.143 1.00 0.57 H new ATOM 0 H5'' DC B 102 -14.824 12.375 31.934 1.00 0.57 H new ATOM 0 H4' DC B 102 -15.266 10.125 32.944 1.00 0.51 H new ATOM 0 H3' DC B 102 -13.350 10.784 30.868 1.00 0.47 H new ATOM 0 H2' DC B 102 -13.551 8.957 29.482 1.00 0.43 H new ATOM 0 H2'' DC B 102 -13.347 7.895 30.860 1.00 0.43 H new ATOM 0 H1' DC B 102 -15.575 7.378 30.829 1.00 0.43 H new ATOM 0 H41 DC B 102 -17.314 9.105 24.658 1.00 0.46 H new ATOM 0 H42 DC B 102 -17.484 7.351 24.776 1.00 0.46 H new ATOM 0 H5 DC B 102 -16.519 10.463 26.480 1.00 0.44 H new ATOM 0 H6 DC B 102 -15.718 10.471 28.786 1.00 0.43 H new ATOM 61 P DC B 103 -11.430 9.155 32.259 1.00 0.52 P ATOM 62 OP1 DC B 103 -10.731 9.168 33.562 1.00 0.63 O ATOM 63 OP2 DC B 103 -10.876 9.912 31.114 1.00 0.56 O ATOM 64 O5' DC B 103 -11.619 7.621 31.807 1.00 0.46 O ATOM 65 C5' DC B 103 -11.978 6.627 32.769 1.00 0.44 C ATOM 66 C4' DC B 103 -12.113 5.240 32.133 1.00 0.37 C ATOM 67 O4' DC B 103 -13.043 5.278 31.029 1.00 0.37 O ATOM 68 C3' DC B 103 -10.773 4.707 31.610 1.00 0.35 C ATOM 69 O3' DC B 103 -10.368 3.552 32.350 1.00 0.37 O ATOM 70 C2' DC B 103 -11.014 4.350 30.157 1.00 0.32 C ATOM 71 C1' DC B 103 -12.489 4.614 29.874 1.00 0.32 C ATOM 72 N1 DC B 103 -12.651 5.458 28.657 1.00 0.31 N ATOM 73 C2 DC B 103 -13.318 4.913 27.562 1.00 0.31 C ATOM 74 O2 DC B 103 -13.737 3.759 27.611 1.00 0.33 O ATOM 75 N3 DC B 103 -13.487 5.686 26.455 1.00 0.31 N ATOM 76 C4 DC B 103 -13.026 6.941 26.415 1.00 0.34 C ATOM 77 N4 DC B 103 -13.215 7.672 25.316 1.00 0.37 N ATOM 78 C5 DC B 103 -12.337 7.508 27.534 1.00 0.37 C ATOM 79 C6 DC B 103 -12.172 6.736 28.627 1.00 0.35 C ATOM 0 H5' DC B 103 -12.920 6.903 33.242 1.00 0.44 H new ATOM 0 H5'' DC B 103 -11.224 6.594 33.556 1.00 0.44 H new ATOM 0 H4' DC B 103 -12.474 4.576 32.918 1.00 0.37 H new ATOM 0 H3' DC B 103 -9.978 5.445 31.717 1.00 0.35 H new ATOM 0 H2' DC B 103 -10.382 4.950 29.502 1.00 0.32 H new ATOM 0 H2'' DC B 103 -10.766 3.305 29.970 1.00 0.32 H new ATOM 0 H1' DC B 103 -13.011 3.675 29.688 1.00 0.32 H new ATOM 0 H41 DC B 103 -12.868 8.630 25.275 1.00 0.37 H new ATOM 0 H42 DC B 103 -13.707 7.273 24.517 1.00 0.37 H new ATOM 0 H5 DC B 103 -11.962 8.520 27.504 1.00 0.37 H new ATOM 0 H6 DC B 103 -11.655 7.133 29.488 1.00 0.35 H new ATOM 91 P DG B 104 -8.875 2.967 32.204 1.00 0.36 P ATOM 92 OP1 DG B 104 -8.595 2.115 33.381 1.00 0.46 O ATOM 93 OP2 DG B 104 -7.968 4.088 31.872 1.00 0.41 O ATOM 94 O5' DG B 104 -8.996 2.015 30.911 1.00 0.42 O ATOM 95 C5' DG B 104 -9.724 0.786 30.980 1.00 0.37 C ATOM 96 C4' DG B 104 -9.548 -0.044 29.705 1.00 0.33 C ATOM 97 O4' DG B 104 -10.312 0.536 28.624 1.00 0.35 O ATOM 98 C3' DG B 104 -8.079 -0.127 29.266 1.00 0.31 C ATOM 99 O3' DG B 104 -7.603 -1.475 29.322 1.00 0.35 O ATOM 100 C2' DG B 104 -8.047 0.385 27.843 1.00 0.30 C ATOM 101 C1' DG B 104 -9.476 0.768 27.472 1.00 0.32 C ATOM 102 N9 DG B 104 -9.543 2.183 27.053 1.00 0.31 N ATOM 103 C8 DG B 104 -9.191 3.304 27.750 1.00 0.32 C ATOM 104 N7 DG B 104 -9.352 4.424 27.111 1.00 0.33 N ATOM 105 C5 DG B 104 -9.854 4.018 25.876 1.00 0.31 C ATOM 106 C6 DG B 104 -10.226 4.793 24.745 1.00 0.33 C ATOM 107 O6 DG B 104 -10.168 6.011 24.604 1.00 0.35 O ATOM 108 N1 DG B 104 -10.684 3.994 23.708 1.00 0.33 N ATOM 109 C2 DG B 104 -10.774 2.618 23.747 1.00 0.33 C ATOM 110 N2 DG B 104 -11.240 2.025 22.649 1.00 0.36 N ATOM 111 N3 DG B 104 -10.424 1.885 24.808 1.00 0.32 N ATOM 112 C4 DG B 104 -9.975 2.647 25.832 1.00 0.31 C ATOM 0 H5' DG B 104 -10.782 0.997 31.135 1.00 0.37 H new ATOM 0 H5'' DG B 104 -9.385 0.209 31.840 1.00 0.37 H new ATOM 0 H4' DG B 104 -9.902 -1.049 29.933 1.00 0.33 H new ATOM 0 H3' DG B 104 -7.436 0.459 29.923 1.00 0.31 H new ATOM 0 H2' DG B 104 -7.383 1.245 27.758 1.00 0.30 H new ATOM 0 H2'' DG B 104 -7.665 -0.380 27.167 1.00 0.30 H new ATOM 0 H1' DG B 104 -9.821 0.164 26.633 1.00 0.32 H new ATOM 0 H8 DG B 104 -8.807 3.262 28.759 1.00 0.32 H new ATOM 0 H1 DG B 104 -10.977 4.460 22.849 1.00 0.33 H new ATOM 0 H21 DG B 104 -11.330 1.009 22.617 1.00 0.36 H new ATOM 0 H22 DG B 104 -11.507 2.587 21.840 1.00 0.36 H new ATOM 124 P DA B 105 -6.083 -1.820 28.910 1.00 0.39 P ATOM 125 OP1 DA B 105 -5.771 -3.184 29.394 1.00 0.49 O ATOM 126 OP2 DA B 105 -5.226 -0.682 29.310 1.00 0.44 O ATOM 127 O5' DA B 105 -6.148 -1.860 27.299 1.00 0.37 O ATOM 128 C5' DA B 105 -6.474 -3.074 26.618 1.00 0.36 C ATOM 129 C4' DA B 105 -6.770 -2.833 25.130 1.00 0.33 C ATOM 130 O4' DA B 105 -7.505 -1.599 24.963 1.00 0.35 O ATOM 131 C3' DA B 105 -5.492 -2.743 24.276 1.00 0.31 C ATOM 132 O3' DA B 105 -5.410 -3.845 23.363 1.00 0.38 O ATOM 133 C2' DA B 105 -5.600 -1.431 23.521 1.00 0.33 C ATOM 134 C1' DA B 105 -6.942 -0.817 23.891 1.00 0.32 C ATOM 135 N9 DA B 105 -6.775 0.594 24.284 1.00 0.29 N ATOM 136 C8 DA B 105 -6.217 1.121 25.414 1.00 0.31 C ATOM 137 N7 DA B 105 -6.212 2.420 25.471 1.00 0.32 N ATOM 138 C5 DA B 105 -6.818 2.788 24.271 1.00 0.30 C ATOM 139 C6 DA B 105 -7.120 4.031 23.702 1.00 0.32 C ATOM 140 N6 DA B 105 -6.855 5.191 24.302 1.00 0.37 N ATOM 141 N1 DA B 105 -7.717 4.030 22.498 1.00 0.32 N ATOM 142 C2 DA B 105 -8.002 2.877 21.889 1.00 0.30 C ATOM 143 N3 DA B 105 -7.761 1.653 22.339 1.00 0.29 N ATOM 144 C4 DA B 105 -7.161 1.684 23.545 1.00 0.28 C ATOM 0 H5' DA B 105 -7.342 -3.534 27.091 1.00 0.36 H new ATOM 0 H5'' DA B 105 -5.647 -3.778 26.715 1.00 0.36 H new ATOM 0 H4' DA B 105 -7.353 -3.689 24.791 1.00 0.33 H new ATOM 0 H3' DA B 105 -4.594 -2.783 24.893 1.00 0.31 H new ATOM 0 H2' DA B 105 -4.782 -0.762 23.790 1.00 0.33 H new ATOM 0 H2'' DA B 105 -5.535 -1.598 22.446 1.00 0.33 H new ATOM 0 H1' DA B 105 -7.617 -0.829 23.035 1.00 0.32 H new ATOM 0 H8 DA B 105 -5.810 0.504 26.202 1.00 0.31 H new ATOM 0 H61 DA B 105 -7.096 6.069 23.843 1.00 0.37 H new ATOM 0 H62 DA B 105 -6.411 5.200 25.220 1.00 0.37 H new ATOM 0 H2 DA B 105 -8.481 2.949 20.924 1.00 0.30 H new ATOM 156 P DG B 106 -4.245 -3.902 22.249 1.00 0.43 P ATOM 157 OP1 DG B 106 -3.954 -5.320 21.946 1.00 0.55 O ATOM 158 OP2 DG B 106 -3.153 -3.000 22.678 1.00 0.45 O ATOM 159 O5' DG B 106 -4.963 -3.246 20.965 1.00 0.42 O ATOM 160 C5' DG B 106 -5.579 -4.072 19.972 1.00 0.45 C ATOM 161 C4' DG B 106 -5.517 -3.423 18.588 1.00 0.42 C ATOM 162 O4' DG B 106 -5.916 -2.037 18.674 1.00 0.44 O ATOM 163 C3' DG B 106 -4.106 -3.483 17.986 1.00 0.41 C ATOM 164 O3' DG B 106 -4.103 -4.223 16.764 1.00 0.46 O ATOM 165 C2' DG B 106 -3.704 -2.046 17.737 1.00 0.43 C ATOM 166 C1' DG B 106 -4.860 -1.171 18.212 1.00 0.43 C ATOM 167 N9 DG B 106 -4.411 -0.275 19.295 1.00 0.44 N ATOM 168 C8 DG B 106 -3.894 -0.595 20.518 1.00 0.58 C ATOM 169 N7 DG B 106 -3.532 0.421 21.247 1.00 0.58 N ATOM 170 C5 DG B 106 -3.838 1.517 20.440 1.00 0.43 C ATOM 171 C6 DG B 106 -3.671 2.909 20.684 1.00 0.40 C ATOM 172 O6 DG B 106 -3.176 3.462 21.663 1.00 0.46 O ATOM 173 N1 DG B 106 -4.114 3.668 19.612 1.00 0.40 N ATOM 174 C2 DG B 106 -4.647 3.162 18.446 1.00 0.44 C ATOM 175 N2 DG B 106 -5.022 4.057 17.533 1.00 0.59 N ATOM 176 N3 DG B 106 -4.803 1.858 18.210 1.00 0.40 N ATOM 177 C4 DG B 106 -4.380 1.097 19.245 1.00 0.38 C ATOM 0 H5' DG B 106 -6.619 -4.255 20.243 1.00 0.45 H new ATOM 0 H5'' DG B 106 -5.081 -5.041 19.943 1.00 0.45 H new ATOM 0 H4' DG B 106 -6.196 -3.982 17.944 1.00 0.42 H new ATOM 0 H3' DG B 106 -3.410 -3.986 18.657 1.00 0.41 H new ATOM 0 H2' DG B 106 -2.789 -1.802 18.277 1.00 0.43 H new ATOM 0 H2'' DG B 106 -3.504 -1.879 16.679 1.00 0.43 H new ATOM 0 H1' DG B 106 -5.222 -0.547 17.395 1.00 0.43 H new ATOM 0 H8 DG B 106 -3.793 -1.616 20.856 1.00 0.58 H new ATOM 0 H1 DG B 106 -4.040 4.682 19.693 1.00 0.40 H new ATOM 0 H21 DG B 106 -5.424 3.746 16.649 1.00 0.59 H new ATOM 0 H22 DG B 106 -4.907 5.053 17.718 1.00 0.59 H new ATOM 189 P DA B 107 -2.724 -4.475 15.970 1.00 0.53 P ATOM 190 OP1 DA B 107 -2.944 -5.563 14.992 1.00 0.64 O ATOM 191 OP2 DA B 107 -1.632 -4.584 16.963 1.00 0.55 O ATOM 192 O5' DA B 107 -2.529 -3.098 15.158 1.00 0.52 O ATOM 193 C5' DA B 107 -3.415 -2.755 14.089 1.00 0.53 C ATOM 194 C4' DA B 107 -3.107 -1.366 13.522 1.00 0.48 C ATOM 195 O4' DA B 107 -3.229 -0.362 14.553 1.00 0.49 O ATOM 196 C3' DA B 107 -1.693 -1.281 12.932 1.00 0.46 C ATOM 197 O3' DA B 107 -1.747 -1.055 11.521 1.00 0.51 O ATOM 198 C2' DA B 107 -1.024 -0.116 13.634 1.00 0.44 C ATOM 199 C1' DA B 107 -2.045 0.461 14.609 1.00 0.44 C ATOM 200 N9 DA B 107 -1.497 0.491 15.980 1.00 0.41 N ATOM 201 C8 DA B 107 -1.062 -0.544 16.756 1.00 0.43 C ATOM 202 N7 DA B 107 -0.628 -0.205 17.933 1.00 0.42 N ATOM 203 C5 DA B 107 -0.788 1.179 17.941 1.00 0.40 C ATOM 204 C6 DA B 107 -0.515 2.159 18.902 1.00 0.43 C ATOM 205 N6 DA B 107 0.006 1.883 20.097 1.00 0.45 N ATOM 206 N1 DA B 107 -0.793 3.434 18.581 1.00 0.52 N ATOM 207 C2 DA B 107 -1.309 3.730 17.388 1.00 0.56 C ATOM 208 N3 DA B 107 -1.604 2.881 16.409 1.00 0.51 N ATOM 209 C4 DA B 107 -1.315 1.611 16.758 1.00 0.42 C ATOM 0 H5' DA B 107 -4.444 -2.782 14.446 1.00 0.53 H new ATOM 0 H5'' DA B 107 -3.333 -3.498 13.296 1.00 0.53 H new ATOM 0 H4' DA B 107 -3.830 -1.188 12.726 1.00 0.48 H new ATOM 0 H3' DA B 107 -1.141 -2.209 13.080 1.00 0.46 H new ATOM 0 H2' DA B 107 -0.130 -0.446 14.162 1.00 0.44 H new ATOM 0 H2'' DA B 107 -0.709 0.639 12.914 1.00 0.44 H new ATOM 0 H1' DA B 107 -2.288 1.487 14.332 1.00 0.44 H new ATOM 0 H8 DA B 107 -1.077 -1.569 16.417 1.00 0.43 H new ATOM 0 H61 DA B 107 0.186 2.636 20.761 1.00 0.45 H new ATOM 0 H62 DA B 107 0.225 0.919 20.347 1.00 0.45 H new ATOM 0 H2 DA B 107 -1.509 4.774 17.196 1.00 0.56 H new ATOM 221 P DG B 108 -0.425 -1.213 10.615 1.00 0.57 P ATOM 222 OP1 DG B 108 -0.845 -1.358 9.204 1.00 0.71 O ATOM 223 OP2 DG B 108 0.442 -2.239 11.237 1.00 0.63 O ATOM 224 O5' DG B 108 0.290 0.219 10.784 1.00 0.59 O ATOM 225 C5' DG B 108 0.005 1.286 9.875 1.00 0.54 C ATOM 226 C4' DG B 108 0.954 2.470 10.082 1.00 0.49 C ATOM 227 O4' DG B 108 0.952 2.870 11.473 1.00 0.49 O ATOM 228 C3' DG B 108 2.399 2.130 9.685 1.00 0.47 C ATOM 229 O3' DG B 108 2.889 3.067 8.715 1.00 0.52 O ATOM 230 C2' DG B 108 3.197 2.216 10.968 1.00 0.43 C ATOM 231 C1' DG B 108 2.294 2.872 12.000 1.00 0.43 C ATOM 232 N9 DG B 108 2.368 2.158 13.289 1.00 0.44 N ATOM 233 C8 DG B 108 2.117 0.845 13.566 1.00 0.49 C ATOM 234 N7 DG B 108 2.308 0.497 14.805 1.00 0.57 N ATOM 235 C5 DG B 108 2.721 1.684 15.409 1.00 0.55 C ATOM 236 C6 DG B 108 3.082 1.945 16.759 1.00 0.64 C ATOM 237 O6 DG B 108 3.139 1.162 17.698 1.00 0.75 O ATOM 238 N1 DG B 108 3.432 3.273 16.946 1.00 0.63 N ATOM 239 C2 DG B 108 3.442 4.235 15.962 1.00 0.56 C ATOM 240 N2 DG B 108 3.813 5.458 16.339 1.00 0.61 N ATOM 241 N3 DG B 108 3.107 3.996 14.691 1.00 0.49 N ATOM 242 C4 DG B 108 2.758 2.705 14.488 1.00 0.48 C ATOM 0 H5' DG B 108 -1.025 1.616 10.011 1.00 0.54 H new ATOM 0 H5'' DG B 108 0.091 0.925 8.850 1.00 0.54 H new ATOM 0 H4' DG B 108 0.595 3.277 9.444 1.00 0.49 H new ATOM 0 H3' DG B 108 2.475 1.143 9.229 1.00 0.47 H new ATOM 0 H2' DG B 108 3.506 1.225 11.299 1.00 0.43 H new ATOM 0 H2'' DG B 108 4.105 2.801 10.821 1.00 0.43 H new ATOM 0 H1' DG B 108 2.614 3.896 12.191 1.00 0.43 H new ATOM 0 H8 DG B 108 1.784 0.147 12.812 1.00 0.49 H new ATOM 0 H1 DG B 108 3.703 3.560 17.887 1.00 0.63 H new ATOM 0 H21 DG B 108 3.841 6.215 15.656 1.00 0.61 H new ATOM 0 H22 DG B 108 4.069 5.637 17.310 1.00 0.61 H new ATOM 254 P DT B 109 4.419 3.013 8.204 1.00 0.57 P ATOM 255 OP1 DT B 109 4.486 3.656 6.873 1.00 0.71 O ATOM 256 OP2 DT B 109 4.919 1.632 8.383 1.00 0.62 O ATOM 257 O5' DT B 109 5.178 3.966 9.264 1.00 0.48 O ATOM 258 C5' DT B 109 4.602 5.218 9.652 1.00 0.47 C ATOM 259 C4' DT B 109 5.518 6.010 10.597 1.00 0.43 C ATOM 260 O4' DT B 109 5.377 5.544 11.957 1.00 0.40 O ATOM 261 C3' DT B 109 6.998 5.903 10.209 1.00 0.45 C ATOM 262 O3' DT B 109 7.483 7.164 9.732 1.00 0.51 O ATOM 263 C2' DT B 109 7.723 5.488 11.476 1.00 0.43 C ATOM 264 C1' DT B 109 6.672 5.386 12.576 1.00 0.40 C ATOM 265 N1 DT B 109 6.759 4.072 13.266 1.00 0.38 N ATOM 266 C2 DT B 109 7.083 4.052 14.616 1.00 0.40 C ATOM 267 O2 DT B 109 7.328 5.080 15.244 1.00 0.45 O ATOM 268 N3 DT B 109 7.115 2.807 15.216 1.00 0.40 N ATOM 269 C4 DT B 109 6.856 1.597 14.598 1.00 0.40 C ATOM 270 O4 DT B 109 6.913 0.545 15.231 1.00 0.44 O ATOM 271 C5 DT B 109 6.530 1.712 13.194 1.00 0.40 C ATOM 272 C7 DT B 109 6.197 0.444 12.402 1.00 0.46 C ATOM 273 C6 DT B 109 6.496 2.918 12.584 1.00 0.38 C ATOM 0 H5' DT B 109 3.645 5.039 10.142 1.00 0.47 H new ATOM 0 H5'' DT B 109 4.399 5.814 8.762 1.00 0.47 H new ATOM 0 H4' DT B 109 5.207 7.051 10.513 1.00 0.43 H new ATOM 0 H3' DT B 109 7.156 5.183 9.406 1.00 0.45 H new ATOM 0 H2' DT B 109 8.229 4.533 11.336 1.00 0.43 H new ATOM 0 H2'' DT B 109 8.488 6.218 11.740 1.00 0.43 H new ATOM 0 H1' DT B 109 6.835 6.160 13.326 1.00 0.40 H new ATOM 0 H3 DT B 109 7.352 2.778 16.208 1.00 0.40 H new ATOM 0 H71 DT B 109 6.736 -0.403 12.827 1.00 0.46 H new ATOM 0 H72 DT B 109 5.125 0.254 12.453 1.00 0.46 H new ATOM 0 H73 DT B 109 6.492 0.577 11.361 1.00 0.46 H new ATOM 0 H6 DT B 109 6.255 2.970 11.532 1.00 0.38 H new ATOM 286 P DA B 110 9.041 7.370 9.382 1.00 0.59 P ATOM 287 OP1 DA B 110 9.177 8.615 8.594 1.00 0.74 O ATOM 288 OP2 DA B 110 9.569 6.096 8.846 1.00 0.62 O ATOM 289 O5' DA B 110 9.697 7.617 10.832 1.00 0.54 O ATOM 290 C5' DA B 110 9.310 8.745 11.625 1.00 0.53 C ATOM 291 C4' DA B 110 10.276 8.969 12.793 1.00 0.48 C ATOM 292 O4' DA B 110 10.011 8.023 13.854 1.00 0.46 O ATOM 293 C3' DA B 110 11.742 8.815 12.367 1.00 0.47 C ATOM 294 O3' DA B 110 12.444 10.053 12.511 1.00 0.50 O ATOM 295 C2' DA B 110 12.327 7.761 13.282 1.00 0.44 C ATOM 296 C1' DA B 110 11.199 7.271 14.181 1.00 0.43 C ATOM 297 N9 DA B 110 10.966 5.827 13.985 1.00 0.42 N ATOM 298 C8 DA B 110 10.731 5.146 12.826 1.00 0.45 C ATOM 299 N7 DA B 110 10.529 3.870 12.969 1.00 0.47 N ATOM 300 C5 DA B 110 10.643 3.686 14.346 1.00 0.45 C ATOM 301 C6 DA B 110 10.538 2.554 15.163 1.00 0.48 C ATOM 302 N6 DA B 110 10.281 1.335 14.689 1.00 0.53 N ATOM 303 N1 DA B 110 10.711 2.727 16.484 1.00 0.47 N ATOM 304 C2 DA B 110 10.970 3.939 16.976 1.00 0.44 C ATOM 305 N3 DA B 110 11.087 5.073 16.292 1.00 0.41 N ATOM 306 C4 DA B 110 10.910 4.871 14.971 1.00 0.42 C ATOM 0 H5' DA B 110 8.302 8.592 12.010 1.00 0.53 H new ATOM 0 H5'' DA B 110 9.280 9.637 11.000 1.00 0.53 H new ATOM 0 H4' DA B 110 10.115 9.990 13.140 1.00 0.48 H new ATOM 0 H3' DA B 110 11.825 8.528 11.319 1.00 0.47 H new ATOM 0 H2' DA B 110 12.744 6.937 12.703 1.00 0.44 H new ATOM 0 H2'' DA B 110 13.141 8.176 13.877 1.00 0.44 H new ATOM 0 H1' DA B 110 11.464 7.421 15.228 1.00 0.43 H new ATOM 0 H8 DA B 110 10.714 5.631 11.861 1.00 0.45 H new ATOM 0 H61 DA B 110 10.215 0.543 15.328 1.00 0.53 H new ATOM 0 H62 DA B 110 10.151 1.194 13.687 1.00 0.53 H new ATOM 0 H2 DA B 110 11.099 4.007 18.046 1.00 0.44 H new ATOM 318 P DC B 111 14.030 10.129 12.241 1.00 0.53 P ATOM 319 OP1 DC B 111 14.410 11.553 12.111 1.00 0.62 O ATOM 320 OP2 DC B 111 14.362 9.174 11.160 1.00 0.57 O ATOM 321 O5' DC B 111 14.648 9.565 13.618 1.00 0.50 O ATOM 322 C5' DC B 111 14.447 10.271 14.845 1.00 0.49 C ATOM 323 C4' DC B 111 15.001 9.493 16.043 1.00 0.48 C ATOM 324 O4' DC B 111 14.402 8.179 16.116 1.00 0.45 O ATOM 325 C3' DC B 111 16.524 9.317 15.966 1.00 0.52 C ATOM 326 O3' DC B 111 17.168 10.027 17.027 1.00 0.58 O ATOM 327 C2' DC B 111 16.770 7.828 16.098 1.00 0.51 C ATOM 328 C1' DC B 111 15.413 7.174 16.335 1.00 0.47 C ATOM 329 N1 DC B 111 15.222 6.019 15.415 1.00 0.47 N ATOM 330 C2 DC B 111 15.151 4.741 15.965 1.00 0.47 C ATOM 331 O2 DC B 111 15.236 4.591 17.181 1.00 0.48 O ATOM 332 N3 DC B 111 14.989 3.683 15.125 1.00 0.50 N ATOM 333 C4 DC B 111 14.898 3.861 13.802 1.00 0.53 C ATOM 334 N4 DC B 111 14.737 2.802 13.009 1.00 0.59 N ATOM 335 C5 DC B 111 14.970 5.170 13.230 1.00 0.53 C ATOM 336 C6 DC B 111 15.132 6.213 14.066 1.00 0.49 C ATOM 0 H5' DC B 111 13.382 10.453 14.990 1.00 0.49 H new ATOM 0 H5'' DC B 111 14.932 11.245 14.788 1.00 0.49 H new ATOM 0 H4' DC B 111 14.756 10.078 16.930 1.00 0.48 H new ATOM 0 H3' DC B 111 16.927 9.711 15.033 1.00 0.52 H new ATOM 0 H2' DC B 111 17.237 7.432 15.196 1.00 0.51 H new ATOM 0 H2'' DC B 111 17.448 7.621 16.926 1.00 0.51 H new ATOM 0 HO3' DC B 111 18.138 9.902 16.963 1.00 0.58 H new ATOM 0 H1' DC B 111 15.346 6.789 17.353 1.00 0.47 H new ATOM 0 H41 DC B 111 14.667 2.927 11.999 1.00 0.59 H new ATOM 0 H42 DC B 111 14.684 1.866 13.412 1.00 0.59 H new ATOM 0 H5 DC B 111 14.897 5.317 12.163 1.00 0.53 H new ATOM 0 H6 DC B 111 15.191 7.214 13.665 1.00 0.49 H new TER 348 DC B 111 ATOM 349 O5' DG C 112 15.562 -6.357 17.902 1.00 0.91 O ATOM 350 C5' DG C 112 16.174 -6.304 19.194 1.00 0.85 C ATOM 351 C4' DG C 112 15.607 -5.159 20.039 1.00 0.72 C ATOM 352 O4' DG C 112 15.930 -3.885 19.437 1.00 0.67 O ATOM 353 C3' DG C 112 14.081 -5.248 20.183 1.00 0.65 C ATOM 354 O3' DG C 112 13.708 -5.288 21.564 1.00 0.64 O ATOM 355 C2' DG C 112 13.537 -4.002 19.516 1.00 0.58 C ATOM 356 C1' DG C 112 14.733 -3.122 19.180 1.00 0.59 C ATOM 357 N9 DG C 112 14.685 -2.678 17.771 1.00 0.57 N ATOM 358 C8 DG C 112 14.551 -3.422 16.633 1.00 0.62 C ATOM 359 N7 DG C 112 14.533 -2.741 15.526 1.00 0.62 N ATOM 360 C5 DG C 112 14.667 -1.424 15.960 1.00 0.57 C ATOM 361 C6 DG C 112 14.714 -0.218 15.209 1.00 0.56 C ATOM 362 O6 DG C 112 14.645 -0.075 13.990 1.00 0.61 O ATOM 363 N1 DG C 112 14.859 0.891 16.034 1.00 0.52 N ATOM 364 C2 DG C 112 14.946 0.848 17.410 1.00 0.51 C ATOM 365 N2 DG C 112 15.084 2.021 18.030 1.00 0.51 N ATOM 366 N3 DG C 112 14.903 -0.283 18.119 1.00 0.52 N ATOM 367 C4 DG C 112 14.762 -1.376 17.333 1.00 0.54 C ATOM 0 H5' DG C 112 17.251 -6.176 19.082 1.00 0.85 H new ATOM 0 H5'' DG C 112 16.017 -7.251 19.711 1.00 0.85 H new ATOM 0 H4' DG C 112 16.059 -5.245 21.027 1.00 0.72 H new ATOM 0 H3' DG C 112 13.684 -6.154 19.725 1.00 0.65 H new ATOM 0 H2' DG C 112 12.981 -4.258 18.614 1.00 0.58 H new ATOM 0 H2'' DG C 112 12.847 -3.479 20.178 1.00 0.58 H new ATOM 0 HO5' DG C 112 15.947 -7.097 17.388 1.00 0.91 H new ATOM 0 H1' DG C 112 14.720 -2.224 19.797 1.00 0.59 H new ATOM 0 H8 DG C 112 14.466 -4.498 16.652 1.00 0.62 H new ATOM 0 H1 DG C 112 14.905 1.807 15.588 1.00 0.52 H new ATOM 0 H21 DG C 112 15.154 2.055 19.047 1.00 0.51 H new ATOM 0 H22 DG C 112 15.120 2.884 17.487 1.00 0.51 H new ATOM 379 P DT C 113 12.157 -5.327 21.998 1.00 0.62 P ATOM 380 OP1 DT C 113 12.032 -6.188 23.195 1.00 0.72 O ATOM 381 OP2 DT C 113 11.346 -5.613 20.794 1.00 0.66 O ATOM 382 O5' DT C 113 11.879 -3.803 22.442 1.00 0.54 O ATOM 383 C5' DT C 113 12.763 -3.141 23.351 1.00 0.54 C ATOM 384 C4' DT C 113 12.398 -1.663 23.526 1.00 0.44 C ATOM 385 O4' DT C 113 12.624 -0.936 22.299 1.00 0.46 O ATOM 386 C3' DT C 113 10.931 -1.471 23.933 1.00 0.38 C ATOM 387 O3' DT C 113 10.839 -0.953 25.263 1.00 0.39 O ATOM 388 C2' DT C 113 10.356 -0.486 22.935 1.00 0.35 C ATOM 389 C1' DT C 113 11.485 -0.110 21.980 1.00 0.39 C ATOM 390 N1 DT C 113 11.068 -0.320 20.566 1.00 0.39 N ATOM 391 C2 DT C 113 11.003 0.786 19.727 1.00 0.42 C ATOM 392 O2 DT C 113 11.276 1.919 20.117 1.00 0.44 O ATOM 393 N3 DT C 113 10.614 0.539 18.424 1.00 0.45 N ATOM 394 C4 DT C 113 10.285 -0.694 17.892 1.00 0.47 C ATOM 395 O4 DT C 113 9.952 -0.799 16.713 1.00 0.53 O ATOM 396 C5 DT C 113 10.375 -1.785 18.836 1.00 0.44 C ATOM 397 C7 DT C 113 10.004 -3.197 18.395 1.00 0.49 C ATOM 398 C6 DT C 113 10.758 -1.574 20.111 1.00 0.40 C ATOM 0 H5' DT C 113 13.787 -3.222 22.986 1.00 0.54 H new ATOM 0 H5'' DT C 113 12.730 -3.641 24.319 1.00 0.54 H new ATOM 0 H4' DT C 113 13.037 -1.280 24.322 1.00 0.44 H new ATOM 0 H3' DT C 113 10.386 -2.415 23.926 1.00 0.38 H new ATOM 0 H2' DT C 113 9.522 -0.930 22.391 1.00 0.35 H new ATOM 0 H2'' DT C 113 9.970 0.398 23.443 1.00 0.35 H new ATOM 0 H1' DT C 113 11.738 0.944 22.093 1.00 0.39 H new ATOM 0 H3 DT C 113 10.565 1.341 17.796 1.00 0.45 H new ATOM 0 H71 DT C 113 10.589 -3.921 18.962 1.00 0.49 H new ATOM 0 H72 DT C 113 8.943 -3.367 18.575 1.00 0.49 H new ATOM 0 H73 DT C 113 10.215 -3.313 17.332 1.00 0.49 H new ATOM 0 H6 DT C 113 10.822 -2.412 20.789 1.00 0.40 H new ATOM 411 P DA C 114 9.403 -0.651 25.924 1.00 0.40 P ATOM 412 OP1 DA C 114 9.576 -0.573 27.392 1.00 0.50 O ATOM 413 OP2 DA C 114 8.422 -1.596 25.347 1.00 0.46 O ATOM 414 O5' DA C 114 9.066 0.826 25.376 1.00 0.40 O ATOM 415 C5' DA C 114 9.824 1.954 25.821 1.00 0.39 C ATOM 416 C4' DA C 114 9.369 3.249 25.139 1.00 0.34 C ATOM 417 O4' DA C 114 9.514 3.138 23.703 1.00 0.35 O ATOM 418 C3' DA C 114 7.902 3.583 25.446 1.00 0.32 C ATOM 419 O3' DA C 114 7.801 4.912 25.980 1.00 0.34 O ATOM 420 C2' DA C 114 7.180 3.468 24.119 1.00 0.33 C ATOM 421 C1' DA C 114 8.254 3.383 23.044 1.00 0.30 C ATOM 422 N9 DA C 114 7.953 2.316 22.070 1.00 0.30 N ATOM 423 C8 DA C 114 7.687 0.994 22.288 1.00 0.33 C ATOM 424 N7 DA C 114 7.477 0.291 21.214 1.00 0.36 N ATOM 425 C5 DA C 114 7.615 1.229 20.191 1.00 0.34 C ATOM 426 C6 DA C 114 7.514 1.136 18.798 1.00 0.38 C ATOM 427 N6 DA C 114 7.243 -0.003 18.160 1.00 0.44 N ATOM 428 N1 DA C 114 7.708 2.260 18.087 1.00 0.38 N ATOM 429 C2 DA C 114 7.985 3.408 18.707 1.00 0.36 C ATOM 430 N3 DA C 114 8.102 3.604 20.015 1.00 0.32 N ATOM 431 C4 DA C 114 7.903 2.461 20.703 1.00 0.31 C ATOM 0 H5' DA C 114 10.881 1.786 25.614 1.00 0.39 H new ATOM 0 H5'' DA C 114 9.723 2.057 26.901 1.00 0.39 H new ATOM 0 H4' DA C 114 10.001 4.046 25.532 1.00 0.34 H new ATOM 0 H3' DA C 114 7.470 2.914 26.191 1.00 0.32 H new ATOM 0 H2' DA C 114 6.543 2.584 24.100 1.00 0.33 H new ATOM 0 H2'' DA C 114 6.534 4.330 23.954 1.00 0.33 H new ATOM 0 H1' DA C 114 8.295 4.317 22.483 1.00 0.30 H new ATOM 0 H8 DA C 114 7.654 0.565 23.278 1.00 0.33 H new ATOM 0 H61 DA C 114 7.181 -0.015 17.142 1.00 0.44 H new ATOM 0 H62 DA C 114 7.098 -0.862 18.690 1.00 0.44 H new ATOM 0 H2 DA C 114 8.130 4.273 18.076 1.00 0.36 H new ATOM 443 P DC C 115 6.369 5.606 26.249 1.00 0.38 P ATOM 444 OP1 DC C 115 6.527 6.583 27.349 1.00 0.48 O ATOM 445 OP2 DC C 115 5.348 4.539 26.349 1.00 0.42 O ATOM 446 O5' DC C 115 6.115 6.422 24.880 1.00 0.33 O ATOM 447 C5' DC C 115 7.167 7.201 24.299 1.00 0.37 C ATOM 448 C4' DC C 115 6.723 7.902 23.006 1.00 0.34 C ATOM 449 O4' DC C 115 6.952 7.055 21.858 1.00 0.37 O ATOM 450 C3' DC C 115 5.239 8.278 23.024 1.00 0.31 C ATOM 451 O3' DC C 115 5.067 9.680 23.249 1.00 0.36 O ATOM 452 C2' DC C 115 4.708 7.881 21.661 1.00 0.30 C ATOM 453 C1' DC C 115 5.793 7.040 20.995 1.00 0.34 C ATOM 454 N1 DC C 115 5.321 5.641 20.794 1.00 0.35 N ATOM 455 C2 DC C 115 5.366 5.106 19.510 1.00 0.44 C ATOM 456 O2 DC C 115 5.768 5.790 18.572 1.00 0.50 O ATOM 457 N3 DC C 115 4.956 3.821 19.331 1.00 0.50 N ATOM 458 C4 DC C 115 4.521 3.088 20.362 1.00 0.48 C ATOM 459 N4 DC C 115 4.133 1.834 20.157 1.00 0.58 N ATOM 460 C5 DC C 115 4.468 3.628 21.680 1.00 0.40 C ATOM 461 C6 DC C 115 4.875 4.902 21.852 1.00 0.33 C ATOM 0 H5' DC C 115 8.020 6.556 24.086 1.00 0.37 H new ATOM 0 H5'' DC C 115 7.504 7.948 25.018 1.00 0.37 H new ATOM 0 H4' DC C 115 7.319 8.812 22.939 1.00 0.34 H new ATOM 0 H3' DC C 115 4.706 7.773 23.830 1.00 0.31 H new ATOM 0 H2' DC C 115 3.783 7.313 21.757 1.00 0.30 H new ATOM 0 H2'' DC C 115 4.480 8.763 21.063 1.00 0.30 H new ATOM 0 H1' DC C 115 6.039 7.451 20.016 1.00 0.34 H new ATOM 0 H41 DC C 115 3.800 1.269 20.938 1.00 0.58 H new ATOM 0 H42 DC C 115 4.168 1.436 19.218 1.00 0.58 H new ATOM 0 H5 DC C 115 4.114 3.037 22.512 1.00 0.40 H new ATOM 0 H6 DC C 115 4.848 5.343 22.838 1.00 0.33 H new ATOM 473 P DT C 116 3.598 10.295 23.484 1.00 0.41 P ATOM 474 OP1 DT C 116 3.745 11.723 23.841 1.00 0.52 O ATOM 475 OP2 DT C 116 2.852 9.383 24.380 1.00 0.45 O ATOM 476 O5' DT C 116 2.940 10.207 22.017 1.00 0.40 O ATOM 477 C5' DT C 116 3.206 11.219 21.042 1.00 0.41 C ATOM 478 C4' DT C 116 2.323 11.054 19.801 1.00 0.38 C ATOM 479 O4' DT C 116 2.364 9.688 19.333 1.00 0.35 O ATOM 480 C3' DT C 116 0.860 11.425 20.077 1.00 0.39 C ATOM 481 O3' DT C 116 0.472 12.558 19.295 1.00 0.47 O ATOM 482 C2' DT C 116 0.047 10.205 19.693 1.00 0.36 C ATOM 483 C1' DT C 116 1.031 9.154 19.187 1.00 0.32 C ATOM 484 N1 DT C 116 0.896 7.889 19.962 1.00 0.28 N ATOM 485 C2 DT C 116 0.479 6.746 19.292 1.00 0.31 C ATOM 486 O2 DT C 116 0.197 6.757 18.096 1.00 0.36 O ATOM 487 N3 DT C 116 0.397 5.592 20.049 1.00 0.31 N ATOM 488 C4 DT C 116 0.689 5.477 21.396 1.00 0.30 C ATOM 489 O4 DT C 116 0.591 4.392 21.967 1.00 0.35 O ATOM 490 C5 DT C 116 1.110 6.718 22.015 1.00 0.28 C ATOM 491 C7 DT C 116 1.444 6.743 23.509 1.00 0.34 C ATOM 492 C6 DT C 116 1.199 7.858 21.297 1.00 0.28 C ATOM 0 H5' DT C 116 4.255 11.177 20.750 1.00 0.41 H new ATOM 0 H5'' DT C 116 3.036 12.202 21.482 1.00 0.41 H new ATOM 0 H4' DT C 116 2.719 11.731 19.044 1.00 0.38 H new ATOM 0 H3' DT C 116 0.705 11.696 21.121 1.00 0.39 H new ATOM 0 H2' DT C 116 -0.512 9.829 20.550 1.00 0.36 H new ATOM 0 H2'' DT C 116 -0.682 10.454 18.921 1.00 0.36 H new ATOM 0 H1' DT C 116 0.825 8.924 18.142 1.00 0.32 H new ATOM 0 H3 DT C 116 0.092 4.745 19.569 1.00 0.31 H new ATOM 0 H71 DT C 116 0.847 5.993 24.028 1.00 0.34 H new ATOM 0 H72 DT C 116 2.503 6.524 23.649 1.00 0.34 H new ATOM 0 H73 DT C 116 1.221 7.729 23.915 1.00 0.34 H new ATOM 0 H6 DT C 116 1.517 8.767 21.787 1.00 0.28 H new ATOM 505 P DC C 117 -1.030 13.132 19.370 1.00 0.85 P ATOM 506 OP1 DC C 117 -1.057 14.449 18.696 1.00 1.47 O ATOM 507 OP2 DC C 117 -1.504 13.008 20.767 1.00 1.46 O ATOM 508 O5' DC C 117 -1.854 12.086 18.464 1.00 0.60 O ATOM 509 C5' DC C 117 -1.848 12.200 17.039 1.00 0.51 C ATOM 510 C4' DC C 117 -2.656 11.077 16.381 1.00 0.40 C ATOM 511 O4' DC C 117 -2.318 9.803 16.974 1.00 0.36 O ATOM 512 C3' DC C 117 -4.172 11.284 16.533 1.00 0.39 C ATOM 513 O3' DC C 117 -4.804 11.353 15.249 1.00 0.41 O ATOM 514 C2' DC C 117 -4.664 10.080 17.301 1.00 0.39 C ATOM 515 C1' DC C 117 -3.517 9.081 17.315 1.00 0.34 C ATOM 516 N1 DC C 117 -3.402 8.438 18.648 1.00 0.33 N ATOM 517 C2 DC C 117 -3.675 7.079 18.739 1.00 0.37 C ATOM 518 O2 DC C 117 -3.964 6.444 17.728 1.00 0.43 O ATOM 519 N3 DC C 117 -3.608 6.484 19.958 1.00 0.38 N ATOM 520 C4 DC C 117 -3.287 7.189 21.047 1.00 0.37 C ATOM 521 N4 DC C 117 -3.259 6.578 22.228 1.00 0.41 N ATOM 522 C5 DC C 117 -3.000 8.587 20.965 1.00 0.35 C ATOM 523 C6 DC C 117 -3.068 9.168 19.752 1.00 0.33 C ATOM 0 H5' DC C 117 -0.821 12.171 16.675 1.00 0.51 H new ATOM 0 H5'' DC C 117 -2.262 13.166 16.749 1.00 0.51 H new ATOM 0 H4' DC C 117 -2.402 11.093 15.321 1.00 0.40 H new ATOM 0 H3' DC C 117 -4.403 12.217 17.047 1.00 0.39 H new ATOM 0 H2' DC C 117 -4.950 10.357 18.316 1.00 0.39 H new ATOM 0 H2'' DC C 117 -5.547 9.651 16.827 1.00 0.39 H new ATOM 0 H1' DC C 117 -3.689 8.281 16.595 1.00 0.34 H new ATOM 0 H41 DC C 117 -3.016 7.103 23.068 1.00 0.41 H new ATOM 0 H42 DC C 117 -3.481 5.585 22.294 1.00 0.41 H new ATOM 0 H5 DC C 117 -2.738 9.157 21.844 1.00 0.35 H new ATOM 0 H6 DC C 117 -2.856 10.222 19.652 1.00 0.33 H new ATOM 535 P DT C 118 -6.401 11.541 15.126 1.00 0.45 P ATOM 536 OP1 DT C 118 -6.718 11.900 13.725 1.00 0.54 O ATOM 537 OP2 DT C 118 -6.848 12.419 16.230 1.00 0.48 O ATOM 538 O5' DT C 118 -6.963 10.055 15.406 1.00 0.41 O ATOM 539 C5' DT C 118 -6.621 8.960 14.548 1.00 0.43 C ATOM 540 C4' DT C 118 -7.478 7.725 14.842 1.00 0.41 C ATOM 541 O4' DT C 118 -6.943 7.019 15.986 1.00 0.39 O ATOM 542 C3' DT C 118 -8.940 8.083 15.152 1.00 0.41 C ATOM 543 O3' DT C 118 -9.818 7.650 14.110 1.00 0.47 O ATOM 544 C2' DT C 118 -9.274 7.338 16.428 1.00 0.38 C ATOM 545 C1' DT C 118 -8.010 6.596 16.857 1.00 0.37 C ATOM 546 N1 DT C 118 -7.690 6.870 18.292 1.00 0.33 N ATOM 547 C2 DT C 118 -7.639 5.789 19.162 1.00 0.34 C ATOM 548 O2 DT C 118 -7.812 4.634 18.776 1.00 0.38 O ATOM 549 N3 DT C 118 -7.382 6.081 20.487 1.00 0.34 N ATOM 550 C4 DT C 118 -7.174 7.336 21.020 1.00 0.33 C ATOM 551 O4 DT C 118 -6.954 7.477 22.221 1.00 0.35 O ATOM 552 C5 DT C 118 -7.244 8.405 20.053 1.00 0.33 C ATOM 553 C7 DT C 118 -7.075 9.846 20.531 1.00 0.36 C ATOM 554 C6 DT C 118 -7.488 8.151 18.747 1.00 0.33 C ATOM 0 H5' DT C 118 -5.567 8.712 14.676 1.00 0.43 H new ATOM 0 H5'' DT C 118 -6.754 9.257 13.508 1.00 0.43 H new ATOM 0 H4' DT C 118 -7.453 7.107 13.945 1.00 0.41 H new ATOM 0 H3' DT C 118 -9.063 9.162 15.245 1.00 0.41 H new ATOM 0 H2' DT C 118 -9.597 8.030 17.205 1.00 0.38 H new ATOM 0 H2'' DT C 118 -10.094 6.639 16.263 1.00 0.38 H new ATOM 0 H1' DT C 118 -8.152 5.518 16.774 1.00 0.37 H new ATOM 0 H3 DT C 118 -7.342 5.293 21.133 1.00 0.34 H new ATOM 0 H71 DT C 118 -7.438 9.935 21.555 1.00 0.36 H new ATOM 0 H72 DT C 118 -6.021 10.120 20.495 1.00 0.36 H new ATOM 0 H73 DT C 118 -7.646 10.513 19.885 1.00 0.36 H new ATOM 0 H6 DT C 118 -7.525 8.972 18.047 1.00 0.33 H new ATOM 567 P DC C 119 -11.412 7.851 14.264 1.00 0.50 P ATOM 568 OP1 DC C 119 -12.006 7.923 12.912 1.00 0.60 O ATOM 569 OP2 DC C 119 -11.648 8.946 15.231 1.00 0.50 O ATOM 570 O5' DC C 119 -11.875 6.468 14.949 1.00 0.48 O ATOM 571 C5' DC C 119 -11.444 5.217 14.408 1.00 0.52 C ATOM 572 C4' DC C 119 -11.842 4.035 15.299 1.00 0.46 C ATOM 573 O4' DC C 119 -11.040 4.018 16.502 1.00 0.45 O ATOM 574 C3' DC C 119 -13.319 4.082 15.713 1.00 0.45 C ATOM 575 O3' DC C 119 -14.040 2.991 15.133 1.00 0.49 O ATOM 576 C2' DC C 119 -13.323 3.969 17.225 1.00 0.41 C ATOM 577 C1' DC C 119 -11.871 3.787 17.659 1.00 0.40 C ATOM 578 N1 DC C 119 -11.518 4.730 18.760 1.00 0.37 N ATOM 579 C2 DC C 119 -11.113 4.192 19.980 1.00 0.39 C ATOM 580 O2 DC C 119 -11.069 2.973 20.129 1.00 0.44 O ATOM 581 N3 DC C 119 -10.774 5.045 20.985 1.00 0.39 N ATOM 582 C4 DC C 119 -10.826 6.371 20.809 1.00 0.37 C ATOM 583 N4 DC C 119 -10.484 7.177 21.814 1.00 0.39 N ATOM 584 C5 DC C 119 -11.241 6.932 19.561 1.00 0.37 C ATOM 585 C6 DC C 119 -11.577 6.082 18.571 1.00 0.37 C ATOM 0 H5' DC C 119 -10.361 5.229 14.286 1.00 0.52 H new ATOM 0 H5'' DC C 119 -11.875 5.084 13.416 1.00 0.52 H new ATOM 0 H4' DC C 119 -11.673 3.136 14.707 1.00 0.46 H new ATOM 0 H3' DC C 119 -13.801 4.999 15.373 1.00 0.45 H new ATOM 0 H2' DC C 119 -13.752 4.863 17.678 1.00 0.41 H new ATOM 0 H2'' DC C 119 -13.931 3.124 17.548 1.00 0.41 H new ATOM 0 H1' DC C 119 -11.717 2.779 18.044 1.00 0.40 H new ATOM 0 H41 DC C 119 -10.520 8.189 21.691 1.00 0.39 H new ATOM 0 H42 DC C 119 -10.186 6.782 22.706 1.00 0.39 H new ATOM 0 H5 DC C 119 -11.284 8.001 19.417 1.00 0.37 H new ATOM 0 H6 DC C 119 -11.897 6.474 17.617 1.00 0.37 H new ATOM 597 P DG C 120 -15.619 2.820 15.398 1.00 0.49 P ATOM 598 OP1 DG C 120 -16.177 1.960 14.331 1.00 0.59 O ATOM 599 OP2 DG C 120 -16.196 4.161 15.642 1.00 0.51 O ATOM 600 O5' DG C 120 -15.659 1.996 16.782 1.00 0.47 O ATOM 601 C5' DG C 120 -15.103 0.680 16.858 1.00 0.51 C ATOM 602 C4' DG C 120 -15.322 0.051 18.239 1.00 0.46 C ATOM 603 O4' DG C 120 -14.633 0.817 19.255 1.00 0.44 O ATOM 604 C3' DG C 120 -16.809 -0.019 18.617 1.00 0.45 C ATOM 605 O3' DG C 120 -17.196 -1.376 18.878 1.00 0.51 O ATOM 606 C2' DG C 120 -16.948 0.829 19.864 1.00 0.46 C ATOM 607 C1' DG C 120 -15.540 1.183 20.316 1.00 0.41 C ATOM 608 N9 DG C 120 -15.428 2.621 20.635 1.00 0.36 N ATOM 609 C8 DG C 120 -15.580 3.704 19.817 1.00 0.38 C ATOM 610 N7 DG C 120 -15.401 4.858 20.390 1.00 0.38 N ATOM 611 C5 DG C 120 -15.105 4.516 21.709 1.00 0.35 C ATOM 612 C6 DG C 120 -14.811 5.349 22.823 1.00 0.36 C ATOM 613 O6 DG C 120 -14.753 6.576 22.863 1.00 0.41 O ATOM 614 N1 DG C 120 -14.572 4.601 23.969 1.00 0.34 N ATOM 615 C2 DG C 120 -14.610 3.225 24.039 1.00 0.33 C ATOM 616 N2 DG C 120 -14.351 2.686 25.230 1.00 0.36 N ATOM 617 N3 DG C 120 -14.884 2.439 22.994 1.00 0.33 N ATOM 618 C4 DG C 120 -15.120 3.149 21.867 1.00 0.33 C ATOM 0 H5' DG C 120 -14.035 0.723 16.643 1.00 0.51 H new ATOM 0 H5'' DG C 120 -15.557 0.048 16.094 1.00 0.51 H new ATOM 0 H4' DG C 120 -14.926 -0.963 18.185 1.00 0.46 H new ATOM 0 H3' DG C 120 -17.451 0.341 17.813 1.00 0.45 H new ATOM 0 H2' DG C 120 -17.525 1.730 19.656 1.00 0.46 H new ATOM 0 H2'' DG C 120 -17.479 0.284 20.645 1.00 0.46 H new ATOM 0 H1' DG C 120 -15.293 0.639 21.228 1.00 0.41 H new ATOM 0 H8 DG C 120 -15.831 3.609 18.771 1.00 0.38 H new ATOM 0 H1 DG C 120 -14.351 5.110 24.825 1.00 0.34 H new ATOM 0 H21 DG C 120 -14.364 1.673 25.345 1.00 0.36 H new ATOM 0 H22 DG C 120 -14.140 3.287 26.027 1.00 0.36 H new ATOM 630 P DG C 121 -18.668 -1.734 19.434 1.00 0.55 P ATOM 631 OP1 DG C 121 -18.946 -3.156 19.130 1.00 0.70 O ATOM 632 OP2 DG C 121 -19.605 -0.684 18.974 1.00 0.64 O ATOM 633 O5' DG C 121 -18.488 -1.584 21.032 1.00 0.44 O ATOM 634 C5' DG C 121 -17.428 -2.266 21.711 1.00 0.45 C ATOM 635 C4' DG C 121 -17.614 -2.247 23.238 1.00 0.38 C ATOM 636 O4' DG C 121 -17.005 -1.066 23.807 1.00 0.36 O ATOM 637 C3' DG C 121 -19.094 -2.266 23.646 1.00 0.37 C ATOM 638 O3' DG C 121 -19.412 -3.480 24.334 1.00 0.42 O ATOM 639 C2' DG C 121 -19.284 -1.072 24.561 1.00 0.37 C ATOM 640 C1' DG C 121 -17.926 -0.389 24.689 1.00 0.34 C ATOM 641 N9 DG C 121 -18.024 1.042 24.338 1.00 0.33 N ATOM 642 C8 DG C 121 -18.427 1.611 23.166 1.00 0.38 C ATOM 643 N7 DG C 121 -18.392 2.908 23.138 1.00 0.40 N ATOM 644 C5 DG C 121 -17.926 3.241 24.407 1.00 0.37 C ATOM 645 C6 DG C 121 -17.678 4.517 24.977 1.00 0.40 C ATOM 646 O6 DG C 121 -17.823 5.624 24.462 1.00 0.45 O ATOM 647 N1 DG C 121 -17.216 4.410 26.281 1.00 0.39 N ATOM 648 C2 DG C 121 -17.016 3.225 26.957 1.00 0.37 C ATOM 649 N2 DG C 121 -16.567 3.328 28.207 1.00 0.43 N ATOM 650 N3 DG C 121 -17.247 2.021 26.423 1.00 0.34 N ATOM 651 C4 DG C 121 -17.698 2.104 25.151 1.00 0.33 C ATOM 0 H5' DG C 121 -16.476 -1.801 21.456 1.00 0.45 H new ATOM 0 H5'' DG C 121 -17.381 -3.298 21.365 1.00 0.45 H new ATOM 0 H4' DG C 121 -17.134 -3.149 23.617 1.00 0.38 H new ATOM 0 H3' DG C 121 -19.749 -2.215 22.776 1.00 0.37 H new ATOM 0 H2' DG C 121 -20.024 -0.385 24.150 1.00 0.37 H new ATOM 0 H2'' DG C 121 -19.650 -1.389 25.538 1.00 0.37 H new ATOM 0 H1' DG C 121 -17.574 -0.447 25.719 1.00 0.34 H new ATOM 0 H8 DG C 121 -18.753 1.023 22.320 1.00 0.38 H new ATOM 0 H1 DG C 121 -17.008 5.276 26.779 1.00 0.39 H new ATOM 0 H21 DG C 121 -16.399 2.487 28.760 1.00 0.43 H new ATOM 0 H22 DG C 121 -16.391 4.248 28.612 1.00 0.43 H new ATOM 663 P DC C 122 -20.888 -3.721 24.929 1.00 0.48 P ATOM 664 OP1 DC C 122 -21.117 -5.181 25.022 1.00 0.57 O ATOM 665 OP2 DC C 122 -21.837 -2.873 24.173 1.00 0.49 O ATOM 666 O5' DC C 122 -20.767 -3.134 26.424 1.00 0.51 O ATOM 667 C5' DC C 122 -19.878 -3.734 27.369 1.00 0.57 C ATOM 668 C4' DC C 122 -19.868 -2.971 28.698 1.00 0.60 C ATOM 669 O4' DC C 122 -19.497 -1.592 28.482 1.00 0.57 O ATOM 670 C3' DC C 122 -21.235 -2.998 29.393 1.00 0.68 C ATOM 671 O3' DC C 122 -21.160 -3.717 30.627 1.00 0.78 O ATOM 672 C2' DC C 122 -21.600 -1.549 29.640 1.00 0.68 C ATOM 673 C1' DC C 122 -20.463 -0.700 29.077 1.00 0.60 C ATOM 674 N1 DC C 122 -20.979 0.255 28.059 1.00 0.58 N ATOM 675 C2 DC C 122 -20.840 1.620 28.300 1.00 0.58 C ATOM 676 O2 DC C 122 -20.303 2.009 29.335 1.00 0.60 O ATOM 677 N3 DC C 122 -21.311 2.493 27.369 1.00 0.58 N ATOM 678 C4 DC C 122 -21.895 2.055 26.247 1.00 0.59 C ATOM 679 N4 DC C 122 -22.347 2.938 25.357 1.00 0.63 N ATOM 680 C5 DC C 122 -22.042 0.655 25.992 1.00 0.58 C ATOM 681 C6 DC C 122 -21.573 -0.204 26.918 1.00 0.57 C ATOM 0 H5' DC C 122 -18.870 -3.759 26.956 1.00 0.57 H new ATOM 0 H5'' DC C 122 -20.176 -4.768 27.545 1.00 0.57 H new ATOM 0 H4' DC C 122 -19.140 -3.470 29.338 1.00 0.60 H new ATOM 0 H3' DC C 122 -21.985 -3.501 28.782 1.00 0.68 H new ATOM 0 H2' DC C 122 -22.544 -1.301 29.154 1.00 0.68 H new ATOM 0 H2'' DC C 122 -21.731 -1.361 30.706 1.00 0.68 H new ATOM 0 HO3' DC C 122 -22.041 -3.722 31.057 1.00 0.78 H new ATOM 0 H1' DC C 122 -20.001 -0.117 29.874 1.00 0.60 H new ATOM 0 H41 DC C 122 -22.793 2.614 24.499 1.00 0.63 H new ATOM 0 H42 DC C 122 -22.246 3.937 25.534 1.00 0.63 H new ATOM 0 H5 DC C 122 -22.513 0.299 25.088 1.00 0.58 H new ATOM 0 H6 DC C 122 -21.668 -1.268 26.756 1.00 0.57 H new TER 693 DC C 122 ATOM 694 N PRO A 10 -7.945 9.122 0.226 1.00 6.62 N ATOM 695 CA PRO A 10 -9.193 9.347 0.989 1.00 6.05 C ATOM 696 C PRO A 10 -8.890 9.767 2.433 1.00 5.28 C ATOM 697 O PRO A 10 -8.514 10.890 2.701 1.00 5.41 O ATOM 698 CB PRO A 10 -9.831 7.962 0.946 1.00 6.23 C ATOM 699 CG PRO A 10 -8.669 7.006 1.019 1.00 6.85 C ATOM 700 CD PRO A 10 -7.428 7.776 0.511 1.00 7.12 C ATOM 0 HA PRO A 10 -9.822 10.141 0.587 1.00 6.05 H new ATOM 0 HB2 PRO A 10 -10.518 7.816 1.780 1.00 6.23 H new ATOM 0 HB3 PRO A 10 -10.406 7.818 0.031 1.00 6.23 H new ATOM 0 HG2 PRO A 10 -8.517 6.658 2.041 1.00 6.85 H new ATOM 0 HG3 PRO A 10 -8.855 6.124 0.406 1.00 6.85 H new ATOM 0 HD2 PRO A 10 -6.638 7.801 1.261 1.00 7.12 H new ATOM 0 HD3 PRO A 10 -7.006 7.312 -0.381 1.00 7.12 H new ATOM 708 N LYS A 11 -9.037 8.859 3.362 1.00 4.84 N ATOM 709 CA LYS A 11 -8.749 9.161 4.797 1.00 4.41 C ATOM 710 C LYS A 11 -8.098 7.927 5.398 1.00 3.72 C ATOM 711 O LYS A 11 -7.654 7.048 4.688 1.00 4.01 O ATOM 712 CB LYS A 11 -10.055 9.411 5.573 1.00 4.88 C ATOM 713 CG LYS A 11 -10.890 10.563 4.950 1.00 5.57 C ATOM 714 CD LYS A 11 -12.355 10.134 4.764 1.00 6.26 C ATOM 715 CE LYS A 11 -12.486 9.229 3.530 1.00 7.09 C ATOM 716 NZ LYS A 11 -12.102 9.983 2.304 1.00 7.74 N ATOM 0 H LYS A 11 -9.350 7.905 3.184 1.00 4.84 H new ATOM 0 HA LYS A 11 -8.114 10.045 4.860 1.00 4.41 H new ATOM 0 HB2 LYS A 11 -10.650 8.498 5.586 1.00 4.88 H new ATOM 0 HB3 LYS A 11 -9.820 9.653 6.610 1.00 4.88 H new ATOM 0 HG2 LYS A 11 -10.842 11.442 5.593 1.00 5.57 H new ATOM 0 HG3 LYS A 11 -10.464 10.848 3.988 1.00 5.57 H new ATOM 0 HD2 LYS A 11 -12.703 9.605 5.651 1.00 6.26 H new ATOM 0 HD3 LYS A 11 -12.988 11.014 4.649 1.00 6.26 H new ATOM 0 HE2 LYS A 11 -11.849 8.352 3.642 1.00 7.09 H new ATOM 0 HE3 LYS A 11 -13.511 8.869 3.440 1.00 7.09 H new ATOM 0 HZ1 LYS A 11 -11.946 9.316 1.521 1.00 7.74 H new ATOM 0 HZ2 LYS A 11 -12.864 10.644 2.050 1.00 7.74 H new ATOM 0 HZ3 LYS A 11 -11.227 10.516 2.484 1.00 7.74 H new ATOM 730 N ALA A 12 -8.046 7.839 6.697 1.00 3.28 N ATOM 731 CA ALA A 12 -7.441 6.643 7.321 1.00 3.02 C ATOM 732 C ALA A 12 -7.937 6.514 8.756 1.00 2.14 C ATOM 733 O ALA A 12 -7.227 6.781 9.698 1.00 2.46 O ATOM 734 CB ALA A 12 -5.903 6.753 7.276 1.00 3.96 C ATOM 0 H ALA A 12 -8.396 8.543 7.347 1.00 3.28 H new ATOM 0 HA ALA A 12 -7.736 5.750 6.770 1.00 3.02 H new ATOM 0 HB1 ALA A 12 -5.461 5.869 7.737 1.00 3.96 H new ATOM 0 HB2 ALA A 12 -5.574 6.825 6.239 1.00 3.96 H new ATOM 0 HB3 ALA A 12 -5.586 7.643 7.820 1.00 3.96 H new ATOM 740 N LYS A 13 -9.141 6.069 8.930 1.00 1.63 N ATOM 741 CA LYS A 13 -9.646 5.875 10.311 1.00 1.34 C ATOM 742 C LYS A 13 -8.981 4.594 10.781 1.00 1.13 C ATOM 743 O LYS A 13 -9.054 3.574 10.126 1.00 1.19 O ATOM 744 CB LYS A 13 -11.196 5.747 10.357 1.00 1.84 C ATOM 745 CG LYS A 13 -11.812 6.080 8.991 1.00 2.45 C ATOM 746 CD LYS A 13 -11.545 7.563 8.604 1.00 3.30 C ATOM 747 CE LYS A 13 -12.706 8.476 9.044 1.00 4.02 C ATOM 748 NZ LYS A 13 -14.019 7.856 8.722 1.00 4.52 N ATOM 0 H LYS A 13 -9.795 5.832 8.184 1.00 1.63 H new ATOM 0 HA LYS A 13 -9.412 6.729 10.947 1.00 1.34 H new ATOM 0 HB2 LYS A 13 -11.473 4.734 10.649 1.00 1.84 H new ATOM 0 HB3 LYS A 13 -11.598 6.418 11.116 1.00 1.84 H new ATOM 0 HG2 LYS A 13 -11.394 5.421 8.230 1.00 2.45 H new ATOM 0 HG3 LYS A 13 -12.886 5.895 9.018 1.00 2.45 H new ATOM 0 HD2 LYS A 13 -10.618 7.901 9.068 1.00 3.30 H new ATOM 0 HD3 LYS A 13 -11.408 7.640 7.525 1.00 3.30 H new ATOM 0 HE2 LYS A 13 -12.641 8.663 10.116 1.00 4.02 H new ATOM 0 HE3 LYS A 13 -12.623 9.442 8.546 1.00 4.02 H new ATOM 0 HZ1 LYS A 13 -14.719 8.602 8.537 1.00 4.52 H new ATOM 0 HZ2 LYS A 13 -13.922 7.256 7.878 1.00 4.52 H new ATOM 0 HZ3 LYS A 13 -14.335 7.276 9.525 1.00 4.52 H new ATOM 762 N ARG A 14 -8.297 4.632 11.873 1.00 0.93 N ATOM 763 CA ARG A 14 -7.606 3.404 12.310 1.00 0.78 C ATOM 764 C ARG A 14 -8.660 2.413 12.758 1.00 0.70 C ATOM 765 O ARG A 14 -9.062 2.349 13.903 1.00 0.65 O ATOM 766 CB ARG A 14 -6.641 3.751 13.428 1.00 0.66 C ATOM 767 CG ARG A 14 -5.711 4.863 12.919 1.00 0.88 C ATOM 768 CD ARG A 14 -4.748 5.339 14.023 1.00 0.78 C ATOM 769 NE ARG A 14 -3.391 4.853 13.679 1.00 0.93 N ATOM 770 CZ ARG A 14 -2.344 5.309 14.304 1.00 0.81 C ATOM 771 NH1 ARG A 14 -2.479 6.214 15.232 1.00 1.22 N ATOM 772 NH2 ARG A 14 -1.158 4.863 13.992 1.00 1.21 N ATOM 0 H ARG A 14 -8.185 5.447 12.477 1.00 0.93 H new ATOM 0 HA ARG A 14 -7.026 2.958 11.502 1.00 0.78 H new ATOM 0 HB2 ARG A 14 -7.185 4.083 14.312 1.00 0.66 H new ATOM 0 HB3 ARG A 14 -6.063 2.874 13.720 1.00 0.66 H new ATOM 0 HG2 ARG A 14 -5.138 4.498 12.067 1.00 0.88 H new ATOM 0 HG3 ARG A 14 -6.307 5.705 12.566 1.00 0.88 H new ATOM 0 HD2 ARG A 14 -4.757 6.427 14.096 1.00 0.78 H new ATOM 0 HD3 ARG A 14 -5.058 4.952 14.994 1.00 0.78 H new ATOM 0 HE ARG A 14 -3.276 4.154 12.945 1.00 0.93 H new ATOM 0 HH11 ARG A 14 -3.406 6.566 15.470 1.00 1.22 H new ATOM 0 HH12 ARG A 14 -1.657 6.570 15.721 1.00 1.22 H new ATOM 0 HH21 ARG A 14 -1.054 4.160 13.261 1.00 1.21 H new ATOM 0 HH22 ARG A 14 -0.335 5.218 14.479 1.00 1.21 H new ATOM 786 N ALA A 15 -9.119 1.656 11.811 1.00 0.76 N ATOM 787 CA ALA A 15 -10.175 0.654 12.068 1.00 0.75 C ATOM 788 C ALA A 15 -9.553 -0.635 12.585 1.00 0.68 C ATOM 789 O ALA A 15 -8.726 -1.238 11.937 1.00 0.71 O ATOM 790 CB ALA A 15 -10.906 0.363 10.755 1.00 0.90 C ATOM 0 H ALA A 15 -8.797 1.692 10.844 1.00 0.76 H new ATOM 0 HA ALA A 15 -10.870 1.041 12.813 1.00 0.75 H new ATOM 0 HB1 ALA A 15 -11.688 -0.375 10.930 1.00 0.90 H new ATOM 0 HB2 ALA A 15 -11.353 1.282 10.376 1.00 0.90 H new ATOM 0 HB3 ALA A 15 -10.198 -0.025 10.023 1.00 0.90 H new ATOM 796 N LYS A 16 -9.961 -1.068 13.743 1.00 0.70 N ATOM 797 CA LYS A 16 -9.434 -2.343 14.302 1.00 0.73 C ATOM 798 C LYS A 16 -10.383 -3.463 13.859 1.00 0.81 C ATOM 799 O LYS A 16 -10.394 -4.544 14.412 1.00 0.90 O ATOM 800 CB LYS A 16 -9.414 -2.271 15.834 1.00 0.94 C ATOM 801 CG LYS A 16 -8.859 -0.921 16.295 1.00 0.77 C ATOM 802 CD LYS A 16 -8.885 -0.867 17.825 1.00 0.79 C ATOM 803 CE LYS A 16 -8.397 0.501 18.306 1.00 1.10 C ATOM 804 NZ LYS A 16 -9.415 1.538 17.977 1.00 2.01 N ATOM 0 H LYS A 16 -10.643 -0.590 14.332 1.00 0.70 H new ATOM 0 HA LYS A 16 -8.419 -2.526 13.949 1.00 0.73 H new ATOM 0 HB2 LYS A 16 -10.422 -2.410 16.225 1.00 0.94 H new ATOM 0 HB3 LYS A 16 -8.803 -3.079 16.235 1.00 0.94 H new ATOM 0 HG2 LYS A 16 -7.840 -0.789 15.931 1.00 0.77 H new ATOM 0 HG3 LYS A 16 -9.454 -0.108 15.879 1.00 0.77 H new ATOM 0 HD2 LYS A 16 -9.897 -1.050 18.187 1.00 0.79 H new ATOM 0 HD3 LYS A 16 -8.252 -1.654 18.236 1.00 0.79 H new ATOM 0 HE2 LYS A 16 -8.221 0.478 19.381 1.00 1.10 H new ATOM 0 HE3 LYS A 16 -7.447 0.747 17.832 1.00 1.10 H new ATOM 0 HZ1 LYS A 16 -8.983 2.271 17.379 1.00 2.01 H new ATOM 0 HZ2 LYS A 16 -10.207 1.098 17.466 1.00 2.01 H new ATOM 0 HZ3 LYS A 16 -9.767 1.970 18.855 1.00 2.01 H new ATOM 818 N HIS A 17 -11.217 -3.180 12.891 1.00 0.87 N ATOM 819 CA HIS A 17 -12.221 -4.184 12.427 1.00 1.09 C ATOM 820 C HIS A 17 -11.597 -5.216 11.467 1.00 1.06 C ATOM 821 O HIS A 17 -11.933 -6.382 11.521 1.00 1.21 O ATOM 822 CB HIS A 17 -13.381 -3.427 11.725 1.00 1.31 C ATOM 823 CG HIS A 17 -14.684 -3.656 12.452 1.00 1.72 C ATOM 824 ND1 HIS A 17 -15.792 -4.207 11.829 1.00 2.41 N ATOM 825 CD2 HIS A 17 -15.064 -3.417 13.749 1.00 2.37 C ATOM 826 CE1 HIS A 17 -16.776 -4.281 12.744 1.00 3.03 C ATOM 827 NE2 HIS A 17 -16.385 -3.813 13.931 1.00 2.98 N ATOM 0 H HIS A 17 -11.245 -2.288 12.398 1.00 0.87 H new ATOM 0 HA HIS A 17 -12.593 -4.737 13.289 1.00 1.09 H new ATOM 0 HB2 HIS A 17 -13.159 -2.360 11.693 1.00 1.31 H new ATOM 0 HB3 HIS A 17 -13.470 -3.765 10.693 1.00 1.31 H new ATOM 0 HD2 HIS A 17 -14.433 -2.987 14.513 1.00 2.37 H new ATOM 0 HE1 HIS A 17 -17.762 -4.672 12.542 1.00 3.03 H new ATOM 0 HE2 HIS A 17 -16.936 -3.758 14.787 1.00 2.98 H new ATOM 835 N PRO A 18 -10.721 -4.810 10.588 1.00 0.99 N ATOM 836 CA PRO A 18 -10.093 -5.745 9.613 1.00 1.10 C ATOM 837 C PRO A 18 -9.483 -6.965 10.325 1.00 1.01 C ATOM 838 O PRO A 18 -8.988 -6.850 11.429 1.00 0.91 O ATOM 839 CB PRO A 18 -9.009 -4.892 8.933 1.00 1.16 C ATOM 840 CG PRO A 18 -9.492 -3.486 9.082 1.00 1.11 C ATOM 841 CD PRO A 18 -10.222 -3.441 10.424 1.00 0.93 C ATOM 0 HA PRO A 18 -10.809 -6.155 8.901 1.00 1.10 H new ATOM 0 HB2 PRO A 18 -8.038 -5.031 9.409 1.00 1.16 H new ATOM 0 HB3 PRO A 18 -8.891 -5.162 7.884 1.00 1.16 H new ATOM 0 HG2 PRO A 18 -8.660 -2.782 9.065 1.00 1.11 H new ATOM 0 HG3 PRO A 18 -10.158 -3.212 8.264 1.00 1.11 H new ATOM 0 HD2 PRO A 18 -9.552 -3.158 11.236 1.00 0.93 H new ATOM 0 HD3 PRO A 18 -11.036 -2.716 10.414 1.00 0.93 H new ATOM 849 N PRO A 19 -9.517 -8.125 9.714 1.00 1.11 N ATOM 850 CA PRO A 19 -8.961 -9.362 10.333 1.00 1.10 C ATOM 851 C PRO A 19 -7.432 -9.314 10.422 1.00 1.06 C ATOM 852 O PRO A 19 -6.800 -8.397 9.935 1.00 1.08 O ATOM 853 CB PRO A 19 -9.430 -10.485 9.394 1.00 1.23 C ATOM 854 CG PRO A 19 -9.623 -9.820 8.070 1.00 1.34 C ATOM 855 CD PRO A 19 -10.082 -8.393 8.378 1.00 1.30 C ATOM 0 HA PRO A 19 -9.300 -9.500 11.360 1.00 1.10 H new ATOM 0 HB2 PRO A 19 -8.690 -11.283 9.332 1.00 1.23 H new ATOM 0 HB3 PRO A 19 -10.357 -10.936 9.749 1.00 1.23 H new ATOM 0 HG2 PRO A 19 -8.696 -9.817 7.496 1.00 1.34 H new ATOM 0 HG3 PRO A 19 -10.366 -10.348 7.472 1.00 1.34 H new ATOM 0 HD2 PRO A 19 -9.712 -7.684 7.637 1.00 1.30 H new ATOM 0 HD3 PRO A 19 -11.169 -8.314 8.380 1.00 1.30 H new ATOM 863 N GLY A 20 -6.836 -10.293 11.040 1.00 1.08 N ATOM 864 CA GLY A 20 -5.352 -10.303 11.159 1.00 1.12 C ATOM 865 C GLY A 20 -4.909 -9.291 12.215 1.00 1.00 C ATOM 866 O GLY A 20 -3.797 -8.800 12.186 1.00 1.04 O ATOM 0 H GLY A 20 -7.312 -11.087 11.468 1.00 1.08 H new ATOM 0 HA2 GLY A 20 -5.007 -11.300 11.431 1.00 1.12 H new ATOM 0 HA3 GLY A 20 -4.900 -10.060 10.198 1.00 1.12 H new ATOM 870 N THR A 21 -5.762 -8.976 13.155 1.00 0.91 N ATOM 871 CA THR A 21 -5.374 -8.001 14.219 1.00 0.83 C ATOM 872 C THR A 21 -4.779 -8.767 15.401 1.00 0.84 C ATOM 873 O THR A 21 -5.459 -9.129 16.338 1.00 0.88 O ATOM 874 CB THR A 21 -6.601 -7.193 14.680 1.00 0.82 C ATOM 875 OG1 THR A 21 -6.232 -6.378 15.784 1.00 0.82 O ATOM 876 CG2 THR A 21 -7.747 -8.125 15.104 1.00 0.90 C ATOM 0 H THR A 21 -6.708 -9.350 13.232 1.00 0.91 H new ATOM 0 HA THR A 21 -4.636 -7.305 13.820 1.00 0.83 H new ATOM 0 HB THR A 21 -6.944 -6.577 13.848 1.00 0.82 H new ATOM 0 HG1 THR A 21 -7.008 -5.859 16.082 1.00 0.82 H new ATOM 0 HG21 THR A 21 -8.601 -7.529 15.425 1.00 0.90 H new ATOM 0 HG22 THR A 21 -8.038 -8.751 14.260 1.00 0.90 H new ATOM 0 HG23 THR A 21 -7.416 -8.757 15.928 1.00 0.90 H new ATOM 884 N GLU A 22 -3.504 -9.021 15.354 1.00 0.88 N ATOM 885 CA GLU A 22 -2.845 -9.765 16.462 1.00 0.93 C ATOM 886 C GLU A 22 -2.588 -8.813 17.630 1.00 0.83 C ATOM 887 O GLU A 22 -2.374 -7.632 17.442 1.00 0.81 O ATOM 888 CB GLU A 22 -1.523 -10.362 15.964 1.00 1.07 C ATOM 889 CG GLU A 22 -1.773 -11.180 14.678 1.00 1.23 C ATOM 890 CD GLU A 22 -0.727 -12.288 14.546 1.00 1.50 C ATOM 891 OE1 GLU A 22 0.430 -12.017 14.817 1.00 2.23 O ATOM 892 OE2 GLU A 22 -1.102 -13.388 14.172 1.00 1.99 O ATOM 0 H GLU A 22 -2.885 -8.744 14.592 1.00 0.88 H new ATOM 0 HA GLU A 22 -3.493 -10.574 16.799 1.00 0.93 H new ATOM 0 HB2 GLU A 22 -0.805 -9.566 15.766 1.00 1.07 H new ATOM 0 HB3 GLU A 22 -1.088 -11.000 16.733 1.00 1.07 H new ATOM 0 HG2 GLU A 22 -2.772 -11.614 14.703 1.00 1.23 H new ATOM 0 HG3 GLU A 22 -1.732 -10.525 13.808 1.00 1.23 H new ATOM 899 N LYS A 23 -2.639 -9.316 18.838 1.00 0.85 N ATOM 900 CA LYS A 23 -2.425 -8.448 20.041 1.00 0.81 C ATOM 901 C LYS A 23 -1.026 -8.672 20.649 1.00 0.78 C ATOM 902 O LYS A 23 -0.904 -9.313 21.674 1.00 0.86 O ATOM 903 CB LYS A 23 -3.496 -8.794 21.085 1.00 0.92 C ATOM 904 CG LYS A 23 -4.849 -9.017 20.384 1.00 1.05 C ATOM 905 CD LYS A 23 -6.014 -8.807 21.379 1.00 1.26 C ATOM 906 CE LYS A 23 -6.447 -7.332 21.430 1.00 1.36 C ATOM 907 NZ LYS A 23 -7.860 -7.254 21.895 1.00 2.06 N ATOM 0 H LYS A 23 -2.821 -10.298 19.046 1.00 0.85 H new ATOM 0 HA LYS A 23 -2.499 -7.402 19.742 1.00 0.81 H new ATOM 0 HB2 LYS A 23 -3.207 -9.691 21.633 1.00 0.92 H new ATOM 0 HB3 LYS A 23 -3.581 -7.988 21.814 1.00 0.92 H new ATOM 0 HG2 LYS A 23 -4.949 -8.327 19.546 1.00 1.05 H new ATOM 0 HG3 LYS A 23 -4.891 -10.026 19.973 1.00 1.05 H new ATOM 0 HD2 LYS A 23 -6.861 -9.427 21.086 1.00 1.26 H new ATOM 0 HD3 LYS A 23 -5.709 -9.133 22.373 1.00 1.26 H new ATOM 0 HE2 LYS A 23 -5.798 -6.773 22.104 1.00 1.36 H new ATOM 0 HE3 LYS A 23 -6.350 -6.877 20.444 1.00 1.36 H new ATOM 0 HZ1 LYS A 23 -8.159 -6.259 21.932 1.00 2.06 H new ATOM 0 HZ2 LYS A 23 -8.472 -7.775 21.235 1.00 2.06 H new ATOM 0 HZ3 LYS A 23 -7.937 -7.674 22.843 1.00 2.06 H new ATOM 921 N PRO A 24 0.027 -8.144 20.060 1.00 0.74 N ATOM 922 CA PRO A 24 1.398 -8.311 20.628 1.00 0.73 C ATOM 923 C PRO A 24 1.521 -7.574 21.969 1.00 0.67 C ATOM 924 O PRO A 24 1.018 -6.480 22.131 1.00 0.60 O ATOM 925 CB PRO A 24 2.329 -7.710 19.560 1.00 0.76 C ATOM 926 CG PRO A 24 1.467 -6.781 18.761 1.00 0.84 C ATOM 927 CD PRO A 24 0.045 -7.349 18.816 1.00 0.81 C ATOM 0 HA PRO A 24 1.645 -9.351 20.841 1.00 0.73 H new ATOM 0 HB2 PRO A 24 3.162 -7.177 20.019 1.00 0.76 H new ATOM 0 HB3 PRO A 24 2.758 -8.489 18.929 1.00 0.76 H new ATOM 0 HG2 PRO A 24 1.498 -5.773 19.173 1.00 0.84 H new ATOM 0 HG3 PRO A 24 1.819 -6.715 17.731 1.00 0.84 H new ATOM 0 HD2 PRO A 24 -0.702 -6.555 18.839 1.00 0.81 H new ATOM 0 HD3 PRO A 24 -0.172 -7.966 17.944 1.00 0.81 H new ATOM 935 N ARG A 25 2.154 -8.174 22.938 1.00 0.73 N ATOM 936 CA ARG A 25 2.266 -7.515 24.270 1.00 0.72 C ATOM 937 C ARG A 25 3.249 -6.343 24.217 1.00 0.58 C ATOM 938 O ARG A 25 3.368 -5.587 25.160 1.00 0.51 O ATOM 939 CB ARG A 25 2.731 -8.545 25.299 1.00 0.88 C ATOM 940 CG ARG A 25 1.624 -9.583 25.485 1.00 1.22 C ATOM 941 CD ARG A 25 2.144 -10.767 26.299 1.00 1.84 C ATOM 942 NE ARG A 25 1.099 -11.829 26.333 1.00 2.29 N ATOM 943 CZ ARG A 25 1.406 -13.040 26.707 1.00 2.73 C ATOM 944 NH1 ARG A 25 2.630 -13.326 27.055 1.00 3.18 N ATOM 945 NH2 ARG A 25 0.486 -13.965 26.731 1.00 3.21 N ATOM 0 H ARG A 25 2.598 -9.090 22.866 1.00 0.73 H new ATOM 0 HA ARG A 25 1.290 -7.123 24.556 1.00 0.72 H new ATOM 0 HB2 ARG A 25 3.649 -9.027 24.963 1.00 0.88 H new ATOM 0 HB3 ARG A 25 2.956 -8.057 26.248 1.00 0.88 H new ATOM 0 HG2 ARG A 25 0.772 -9.130 25.992 1.00 1.22 H new ATOM 0 HG3 ARG A 25 1.271 -9.927 24.513 1.00 1.22 H new ATOM 0 HD2 ARG A 25 3.061 -11.155 25.855 1.00 1.84 H new ATOM 0 HD3 ARG A 25 2.390 -10.448 27.312 1.00 1.84 H new ATOM 0 HE ARG A 25 0.141 -11.608 26.063 1.00 2.29 H new ATOM 0 HH11 ARG A 25 3.348 -12.602 27.035 1.00 3.18 H new ATOM 0 HH12 ARG A 25 2.869 -14.274 27.347 1.00 3.18 H new ATOM 0 HH21 ARG A 25 -0.471 -13.740 26.458 1.00 3.21 H new ATOM 0 HH22 ARG A 25 0.723 -14.913 27.023 1.00 3.21 H new ATOM 959 N SER A 26 3.942 -6.167 23.128 1.00 0.60 N ATOM 960 CA SER A 26 4.890 -5.021 23.043 1.00 0.55 C ATOM 961 C SER A 26 4.084 -3.723 22.942 1.00 0.48 C ATOM 962 O SER A 26 4.628 -2.658 22.728 1.00 0.49 O ATOM 963 CB SER A 26 5.779 -5.173 21.808 1.00 0.69 C ATOM 964 OG SER A 26 6.585 -6.335 21.950 1.00 0.84 O ATOM 0 H SER A 26 3.895 -6.760 22.300 1.00 0.60 H new ATOM 0 HA SER A 26 5.522 -4.998 23.931 1.00 0.55 H new ATOM 0 HB2 SER A 26 5.165 -5.250 20.911 1.00 0.69 H new ATOM 0 HB3 SER A 26 6.409 -4.292 21.689 1.00 0.69 H new ATOM 0 HG SER A 26 7.155 -6.436 21.159 1.00 0.84 H new ATOM 970 N ARG A 27 2.782 -3.814 23.088 1.00 0.48 N ATOM 971 CA ARG A 27 1.907 -2.600 22.997 1.00 0.48 C ATOM 972 C ARG A 27 1.314 -2.292 24.374 1.00 0.45 C ATOM 973 O ARG A 27 1.226 -1.152 24.783 1.00 0.53 O ATOM 974 CB ARG A 27 0.752 -2.867 22.022 1.00 0.58 C ATOM 975 CG ARG A 27 1.276 -3.496 20.727 1.00 0.66 C ATOM 976 CD ARG A 27 2.113 -2.488 19.932 1.00 0.77 C ATOM 977 NE ARG A 27 2.064 -2.898 18.493 1.00 1.22 N ATOM 978 CZ ARG A 27 2.681 -2.201 17.585 1.00 1.27 C ATOM 979 NH1 ARG A 27 3.442 -1.218 17.943 1.00 1.67 N ATOM 980 NH2 ARG A 27 2.548 -2.500 16.323 1.00 1.75 N ATOM 0 H ARG A 27 2.284 -4.686 23.268 1.00 0.48 H new ATOM 0 HA ARG A 27 2.505 -1.759 22.647 1.00 0.48 H new ATOM 0 HB2 ARG A 27 0.023 -3.531 22.486 1.00 0.58 H new ATOM 0 HB3 ARG A 27 0.236 -1.934 21.797 1.00 0.58 H new ATOM 0 HG2 ARG A 27 1.880 -4.372 20.962 1.00 0.66 H new ATOM 0 HG3 ARG A 27 0.439 -3.840 20.120 1.00 0.66 H new ATOM 0 HD2 ARG A 27 1.719 -1.479 20.057 1.00 0.77 H new ATOM 0 HD3 ARG A 27 3.142 -2.475 20.292 1.00 0.77 H new ATOM 0 HE ARG A 27 1.542 -3.731 18.222 1.00 1.22 H new ATOM 0 HH11 ARG A 27 3.555 -0.994 18.932 1.00 1.67 H new ATOM 0 HH12 ARG A 27 3.929 -0.667 17.237 1.00 1.67 H new ATOM 0 HH21 ARG A 27 1.958 -3.284 16.044 1.00 1.75 H new ATOM 0 HH22 ARG A 27 3.034 -1.950 15.615 1.00 1.75 H new ATOM 994 N SER A 28 0.889 -3.304 25.085 1.00 0.41 N ATOM 995 CA SER A 28 0.278 -3.081 26.431 1.00 0.42 C ATOM 996 C SER A 28 1.329 -3.294 27.522 1.00 0.44 C ATOM 997 O SER A 28 1.214 -2.773 28.613 1.00 0.48 O ATOM 998 CB SER A 28 -0.868 -4.074 26.632 1.00 0.46 C ATOM 999 OG SER A 28 -0.438 -5.371 26.235 1.00 0.51 O ATOM 0 H SER A 28 0.939 -4.279 24.791 1.00 0.41 H new ATOM 0 HA SER A 28 -0.099 -2.060 26.492 1.00 0.42 H new ATOM 0 HB2 SER A 28 -1.177 -4.084 27.677 1.00 0.46 H new ATOM 0 HB3 SER A 28 -1.735 -3.770 26.046 1.00 0.46 H new ATOM 0 HG SER A 28 -1.169 -6.011 26.364 1.00 0.51 H new ATOM 1005 N GLN A 29 2.350 -4.055 27.243 1.00 0.45 N ATOM 1006 CA GLN A 29 3.395 -4.291 28.278 1.00 0.50 C ATOM 1007 C GLN A 29 4.241 -3.028 28.428 1.00 0.49 C ATOM 1008 O GLN A 29 4.590 -2.629 29.521 1.00 0.54 O ATOM 1009 CB GLN A 29 4.286 -5.466 27.852 1.00 0.55 C ATOM 1010 CG GLN A 29 5.292 -5.811 28.975 1.00 1.27 C ATOM 1011 CD GLN A 29 5.581 -7.318 28.979 1.00 1.92 C ATOM 1012 OE1 GLN A 29 5.618 -7.945 27.940 1.00 2.56 O ATOM 1013 NE2 GLN A 29 5.785 -7.926 30.114 1.00 2.58 N ATOM 0 H GLN A 29 2.506 -4.521 26.349 1.00 0.45 H new ATOM 0 HA GLN A 29 2.923 -4.531 29.231 1.00 0.50 H new ATOM 0 HB2 GLN A 29 3.669 -6.336 27.627 1.00 0.55 H new ATOM 0 HB3 GLN A 29 4.823 -5.211 26.939 1.00 0.55 H new ATOM 0 HG2 GLN A 29 6.218 -5.256 28.828 1.00 1.27 H new ATOM 0 HG3 GLN A 29 4.889 -5.508 29.941 1.00 1.27 H new ATOM 0 HE21 GLN A 29 5.754 -7.400 30.987 1.00 2.58 H new ATOM 0 HE22 GLN A 29 5.976 -8.928 30.129 1.00 2.58 H new ATOM 1022 N SER A 30 4.562 -2.388 27.338 1.00 0.47 N ATOM 1023 CA SER A 30 5.375 -1.144 27.416 1.00 0.49 C ATOM 1024 C SER A 30 4.695 -0.157 28.364 1.00 0.46 C ATOM 1025 O SER A 30 5.334 0.683 28.968 1.00 0.52 O ATOM 1026 CB SER A 30 5.481 -0.518 26.025 1.00 0.51 C ATOM 1027 OG SER A 30 6.033 -1.468 25.124 1.00 0.58 O ATOM 0 H SER A 30 4.296 -2.674 26.396 1.00 0.47 H new ATOM 0 HA SER A 30 6.373 -1.381 27.786 1.00 0.49 H new ATOM 0 HB2 SER A 30 4.497 -0.202 25.680 1.00 0.51 H new ATOM 0 HB3 SER A 30 6.108 0.373 26.061 1.00 0.51 H new ATOM 0 HG SER A 30 6.953 -1.676 25.391 1.00 0.58 H new ATOM 1033 N GLU A 31 3.400 -0.250 28.497 1.00 0.42 N ATOM 1034 CA GLU A 31 2.669 0.682 29.403 1.00 0.44 C ATOM 1035 C GLU A 31 2.592 0.079 30.804 1.00 0.41 C ATOM 1036 O GLU A 31 2.525 -1.123 30.970 1.00 0.43 O ATOM 1037 CB GLU A 31 1.258 0.897 28.869 1.00 0.51 C ATOM 1038 CG GLU A 31 1.330 1.515 27.476 1.00 0.55 C ATOM 1039 CD GLU A 31 1.908 2.928 27.569 1.00 0.67 C ATOM 1040 OE1 GLU A 31 1.920 3.472 28.660 1.00 0.71 O ATOM 1041 OE2 GLU A 31 2.328 3.443 26.545 1.00 0.81 O ATOM 0 H GLU A 31 2.815 -0.933 28.016 1.00 0.42 H new ATOM 0 HA GLU A 31 3.196 1.635 29.447 1.00 0.44 H new ATOM 0 HB2 GLU A 31 0.724 -0.052 28.830 1.00 0.51 H new ATOM 0 HB3 GLU A 31 0.699 1.550 29.540 1.00 0.51 H new ATOM 0 HG2 GLU A 31 1.952 0.899 26.826 1.00 0.55 H new ATOM 0 HG3 GLU A 31 0.336 1.547 27.030 1.00 0.55 H new ATOM 1048 N GLN A 32 2.609 0.912 31.816 1.00 0.41 N ATOM 1049 CA GLN A 32 2.547 0.415 33.227 1.00 0.43 C ATOM 1050 C GLN A 32 1.429 1.163 33.977 1.00 0.38 C ATOM 1051 O GLN A 32 1.131 2.300 33.665 1.00 0.37 O ATOM 1052 CB GLN A 32 3.903 0.677 33.885 1.00 0.51 C ATOM 1053 CG GLN A 32 4.979 -0.097 33.119 1.00 0.58 C ATOM 1054 CD GLN A 32 6.369 0.346 33.577 1.00 1.31 C ATOM 1055 OE1 GLN A 32 7.187 0.745 32.773 1.00 2.03 O ATOM 1056 NE2 GLN A 32 6.674 0.290 34.843 1.00 2.13 N ATOM 0 H GLN A 32 2.664 1.926 31.724 1.00 0.41 H new ATOM 0 HA GLN A 32 2.329 -0.653 33.254 1.00 0.43 H new ATOM 0 HB2 GLN A 32 4.127 1.744 33.877 1.00 0.51 H new ATOM 0 HB3 GLN A 32 3.883 0.364 34.929 1.00 0.51 H new ATOM 0 HG2 GLN A 32 4.856 -1.167 33.285 1.00 0.58 H new ATOM 0 HG3 GLN A 32 4.868 0.074 32.048 1.00 0.58 H new ATOM 0 HE21 GLN A 32 5.987 -0.045 35.519 1.00 2.13 H new ATOM 0 HE22 GLN A 32 7.599 0.581 35.158 1.00 2.13 H new ATOM 1065 N PRO A 33 0.797 0.536 34.948 1.00 0.39 N ATOM 1066 CA PRO A 33 -0.310 1.168 35.718 1.00 0.37 C ATOM 1067 C PRO A 33 -0.066 2.657 35.983 1.00 0.34 C ATOM 1068 O PRO A 33 1.061 3.110 36.048 1.00 0.36 O ATOM 1069 CB PRO A 33 -0.337 0.380 37.032 1.00 0.42 C ATOM 1070 CG PRO A 33 0.217 -0.980 36.702 1.00 0.66 C ATOM 1071 CD PRO A 33 1.064 -0.835 35.421 1.00 0.49 C ATOM 0 HA PRO A 33 -1.252 1.132 35.171 1.00 0.37 H new ATOM 0 HB2 PRO A 33 0.264 0.873 37.797 1.00 0.42 H new ATOM 0 HB3 PRO A 33 -1.352 0.305 37.423 1.00 0.42 H new ATOM 0 HG2 PRO A 33 0.826 -1.356 37.524 1.00 0.66 H new ATOM 0 HG3 PRO A 33 -0.590 -1.696 36.549 1.00 0.66 H new ATOM 0 HD2 PRO A 33 2.124 -0.983 35.628 1.00 0.49 H new ATOM 0 HD3 PRO A 33 0.779 -1.574 34.672 1.00 0.49 H new ATOM 1079 N ALA A 34 -1.115 3.423 36.140 1.00 0.32 N ATOM 1080 CA ALA A 34 -0.937 4.888 36.404 1.00 0.31 C ATOM 1081 C ALA A 34 -2.079 5.410 37.296 1.00 0.30 C ATOM 1082 O ALA A 34 -3.239 5.137 37.059 1.00 0.31 O ATOM 1083 CB ALA A 34 -0.913 5.636 35.058 1.00 0.30 C ATOM 0 H ALA A 34 -2.082 3.103 36.098 1.00 0.32 H new ATOM 0 HA ALA A 34 0.003 5.058 36.928 1.00 0.31 H new ATOM 0 HB1 ALA A 34 -0.784 6.703 35.237 1.00 0.30 H new ATOM 0 HB2 ALA A 34 -0.086 5.267 34.452 1.00 0.30 H new ATOM 0 HB3 ALA A 34 -1.852 5.468 34.531 1.00 0.30 H new ATOM 1089 N THR A 35 -1.747 6.164 38.322 1.00 0.32 N ATOM 1090 CA THR A 35 -2.785 6.722 39.250 1.00 0.33 C ATOM 1091 C THR A 35 -2.834 8.252 39.124 1.00 0.32 C ATOM 1092 O THR A 35 -1.858 8.890 38.783 1.00 0.39 O ATOM 1093 CB THR A 35 -2.415 6.350 40.689 1.00 0.38 C ATOM 1094 OG1 THR A 35 -2.274 4.941 40.791 1.00 0.40 O ATOM 1095 CG2 THR A 35 -3.507 6.828 41.648 1.00 0.41 C ATOM 0 H THR A 35 -0.788 6.419 38.557 1.00 0.32 H new ATOM 0 HA THR A 35 -3.760 6.310 38.992 1.00 0.33 H new ATOM 0 HB THR A 35 -1.473 6.831 40.954 1.00 0.38 H new ATOM 0 HG1 THR A 35 -2.036 4.702 41.711 1.00 0.40 H new ATOM 0 HG21 THR A 35 -3.237 6.560 42.669 1.00 0.41 H new ATOM 0 HG22 THR A 35 -3.610 7.910 41.572 1.00 0.41 H new ATOM 0 HG23 THR A 35 -4.453 6.355 41.387 1.00 0.41 H new ATOM 1103 N CYS A 36 -3.967 8.843 39.414 1.00 0.33 N ATOM 1104 CA CYS A 36 -4.100 10.332 39.336 1.00 0.34 C ATOM 1105 C CYS A 36 -3.799 10.928 40.726 1.00 0.39 C ATOM 1106 O CYS A 36 -4.486 10.626 41.676 1.00 0.51 O ATOM 1107 CB CYS A 36 -5.540 10.664 38.925 1.00 0.31 C ATOM 1108 SG CYS A 36 -5.961 12.368 39.377 1.00 0.35 S ATOM 0 H CYS A 36 -4.813 8.353 39.704 1.00 0.33 H new ATOM 0 HA CYS A 36 -3.404 10.748 38.608 1.00 0.34 H new ATOM 0 HB2 CYS A 36 -5.657 10.529 37.850 1.00 0.31 H new ATOM 0 HB3 CYS A 36 -6.230 9.973 39.410 1.00 0.31 H new ATOM 1113 N PRO A 37 -2.784 11.755 40.873 1.00 0.47 N ATOM 1114 CA PRO A 37 -2.447 12.336 42.204 1.00 0.51 C ATOM 1115 C PRO A 37 -3.467 13.388 42.667 1.00 0.50 C ATOM 1116 O PRO A 37 -3.309 13.992 43.710 1.00 0.55 O ATOM 1117 CB PRO A 37 -1.051 12.951 42.004 1.00 0.57 C ATOM 1118 CG PRO A 37 -0.942 13.230 40.535 1.00 1.01 C ATOM 1119 CD PRO A 37 -1.862 12.229 39.819 1.00 0.68 C ATOM 0 HA PRO A 37 -2.466 11.580 42.989 1.00 0.51 H new ATOM 0 HB2 PRO A 37 -0.938 13.865 42.586 1.00 0.57 H new ATOM 0 HB3 PRO A 37 -0.270 12.266 42.332 1.00 0.57 H new ATOM 0 HG2 PRO A 37 -1.240 14.255 40.314 1.00 1.01 H new ATOM 0 HG3 PRO A 37 0.088 13.118 40.196 1.00 1.01 H new ATOM 0 HD2 PRO A 37 -2.404 12.703 39.001 1.00 0.68 H new ATOM 0 HD3 PRO A 37 -1.293 11.405 39.389 1.00 0.68 H new ATOM 1127 N ILE A 38 -4.517 13.604 41.909 1.00 0.45 N ATOM 1128 CA ILE A 38 -5.554 14.608 42.313 1.00 0.47 C ATOM 1129 C ILE A 38 -6.782 13.878 42.866 1.00 0.47 C ATOM 1130 O ILE A 38 -7.203 14.124 43.979 1.00 0.53 O ATOM 1131 CB ILE A 38 -5.959 15.455 41.100 1.00 0.48 C ATOM 1132 CG1 ILE A 38 -4.690 16.021 40.438 1.00 0.53 C ATOM 1133 CG2 ILE A 38 -6.861 16.615 41.553 1.00 0.53 C ATOM 1134 CD1 ILE A 38 -5.035 16.811 39.163 1.00 0.56 C ATOM 0 H ILE A 38 -4.701 13.127 41.026 1.00 0.45 H new ATOM 0 HA ILE A 38 -5.143 15.262 43.082 1.00 0.47 H new ATOM 0 HB ILE A 38 -6.504 14.836 40.388 1.00 0.48 H new ATOM 0 HG12 ILE A 38 -4.168 16.670 41.141 1.00 0.53 H new ATOM 0 HG13 ILE A 38 -4.010 15.205 40.191 1.00 0.53 H new ATOM 0 HG21 ILE A 38 -7.146 17.214 40.688 1.00 0.53 H new ATOM 0 HG22 ILE A 38 -7.757 16.215 42.028 1.00 0.53 H new ATOM 0 HG23 ILE A 38 -6.321 17.240 42.264 1.00 0.53 H new ATOM 0 HD11 ILE A 38 -4.119 17.199 38.717 1.00 0.56 H new ATOM 0 HD12 ILE A 38 -5.535 16.154 38.452 1.00 0.56 H new ATOM 0 HD13 ILE A 38 -5.695 17.641 39.416 1.00 0.56 H new ATOM 1146 N CYS A 39 -7.361 12.983 42.097 1.00 0.45 N ATOM 1147 CA CYS A 39 -8.572 12.230 42.570 1.00 0.47 C ATOM 1148 C CYS A 39 -8.265 10.727 42.637 1.00 0.45 C ATOM 1149 O CYS A 39 -9.154 9.899 42.676 1.00 0.48 O ATOM 1150 CB CYS A 39 -9.741 12.491 41.617 1.00 0.46 C ATOM 1151 SG CYS A 39 -9.518 11.568 40.078 1.00 0.40 S ATOM 0 H CYS A 39 -7.046 12.740 41.158 1.00 0.45 H new ATOM 0 HA CYS A 39 -8.843 12.573 43.569 1.00 0.47 H new ATOM 0 HB2 CYS A 39 -10.678 12.198 42.092 1.00 0.46 H new ATOM 0 HB3 CYS A 39 -9.812 13.557 41.402 1.00 0.46 H new ATOM 1156 N TYR A 40 -7.007 10.378 42.691 1.00 0.44 N ATOM 1157 CA TYR A 40 -6.609 8.940 42.804 1.00 0.44 C ATOM 1158 C TYR A 40 -7.251 8.071 41.717 1.00 0.41 C ATOM 1159 O TYR A 40 -7.270 6.861 41.825 1.00 0.43 O ATOM 1160 CB TYR A 40 -7.010 8.426 44.184 1.00 0.50 C ATOM 1161 CG TYR A 40 -6.179 9.141 45.224 1.00 0.55 C ATOM 1162 CD1 TYR A 40 -4.816 8.845 45.348 1.00 0.58 C ATOM 1163 CD2 TYR A 40 -6.762 10.110 46.050 1.00 0.60 C ATOM 1164 CE1 TYR A 40 -4.038 9.512 46.301 1.00 0.65 C ATOM 1165 CE2 TYR A 40 -5.983 10.779 47.002 1.00 0.66 C ATOM 1166 CZ TYR A 40 -4.620 10.481 47.126 1.00 0.68 C ATOM 1167 OH TYR A 40 -3.851 11.141 48.062 1.00 0.76 O ATOM 0 H TYR A 40 -6.227 11.035 42.661 1.00 0.44 H new ATOM 0 HA TYR A 40 -5.529 8.875 42.668 1.00 0.44 H new ATOM 0 HB2 TYR A 40 -8.071 8.603 44.360 1.00 0.50 H new ATOM 0 HB3 TYR A 40 -6.852 7.349 44.248 1.00 0.50 H new ATOM 0 HD1 TYR A 40 -4.365 8.101 44.708 1.00 0.58 H new ATOM 0 HD2 TYR A 40 -7.812 10.341 45.953 1.00 0.60 H new ATOM 0 HE1 TYR A 40 -2.988 9.279 46.400 1.00 0.65 H new ATOM 0 HE2 TYR A 40 -6.433 11.525 47.641 1.00 0.66 H new ATOM 0 HH TYR A 40 -4.409 11.782 48.550 1.00 0.76 H new ATOM 1177 N ALA A 41 -7.745 8.649 40.658 1.00 0.38 N ATOM 1178 CA ALA A 41 -8.334 7.802 39.580 1.00 0.36 C ATOM 1179 C ALA A 41 -7.263 6.789 39.141 1.00 0.34 C ATOM 1180 O ALA A 41 -6.108 7.132 38.982 1.00 0.33 O ATOM 1181 CB ALA A 41 -8.759 8.695 38.393 1.00 0.35 C ATOM 0 H ALA A 41 -7.768 9.655 40.492 1.00 0.38 H new ATOM 0 HA ALA A 41 -9.218 7.274 39.939 1.00 0.36 H new ATOM 0 HB1 ALA A 41 -9.189 8.075 37.607 1.00 0.35 H new ATOM 0 HB2 ALA A 41 -9.501 9.419 38.730 1.00 0.35 H new ATOM 0 HB3 ALA A 41 -7.888 9.222 38.004 1.00 0.35 H new ATOM 1187 N VAL A 42 -7.628 5.547 38.957 1.00 0.35 N ATOM 1188 CA VAL A 42 -6.617 4.522 38.544 1.00 0.34 C ATOM 1189 C VAL A 42 -6.621 4.367 37.023 1.00 0.30 C ATOM 1190 O VAL A 42 -7.493 3.741 36.454 1.00 0.32 O ATOM 1191 CB VAL A 42 -6.966 3.177 39.188 1.00 0.39 C ATOM 1192 CG1 VAL A 42 -5.916 2.129 38.798 1.00 0.41 C ATOM 1193 CG2 VAL A 42 -6.992 3.337 40.711 1.00 0.45 C ATOM 0 H VAL A 42 -8.579 5.196 39.074 1.00 0.35 H new ATOM 0 HA VAL A 42 -5.628 4.844 38.870 1.00 0.34 H new ATOM 0 HB VAL A 42 -7.945 2.850 38.838 1.00 0.39 H new ATOM 0 HG11 VAL A 42 -6.167 1.173 39.258 1.00 0.41 H new ATOM 0 HG12 VAL A 42 -5.899 2.017 37.714 1.00 0.41 H new ATOM 0 HG13 VAL A 42 -4.934 2.451 39.145 1.00 0.41 H new ATOM 0 HG21 VAL A 42 -7.240 2.381 41.173 1.00 0.45 H new ATOM 0 HG22 VAL A 42 -6.013 3.665 41.059 1.00 0.45 H new ATOM 0 HG23 VAL A 42 -7.742 4.079 40.986 1.00 0.45 H new ATOM 1203 N ILE A 43 -5.639 4.927 36.363 1.00 0.27 N ATOM 1204 CA ILE A 43 -5.552 4.817 34.873 1.00 0.25 C ATOM 1205 C ILE A 43 -4.465 3.797 34.522 1.00 0.26 C ATOM 1206 O ILE A 43 -3.340 3.897 34.971 1.00 0.28 O ATOM 1207 CB ILE A 43 -5.188 6.186 34.294 1.00 0.24 C ATOM 1208 CG1 ILE A 43 -6.161 7.250 34.837 1.00 0.27 C ATOM 1209 CG2 ILE A 43 -5.251 6.144 32.764 1.00 0.24 C ATOM 1210 CD1 ILE A 43 -7.620 6.929 34.457 1.00 0.31 C ATOM 0 H ILE A 43 -4.886 5.461 36.796 1.00 0.27 H new ATOM 0 HA ILE A 43 -6.506 4.493 34.457 1.00 0.25 H new ATOM 0 HB ILE A 43 -4.172 6.444 34.593 1.00 0.24 H new ATOM 0 HG12 ILE A 43 -6.071 7.307 35.922 1.00 0.27 H new ATOM 0 HG13 ILE A 43 -5.888 8.229 34.443 1.00 0.27 H new ATOM 0 HG21 ILE A 43 -4.990 7.123 32.362 1.00 0.24 H new ATOM 0 HG22 ILE A 43 -4.547 5.400 32.391 1.00 0.24 H new ATOM 0 HG23 ILE A 43 -6.260 5.879 32.449 1.00 0.24 H new ATOM 0 HD11 ILE A 43 -8.278 7.700 34.857 1.00 0.31 H new ATOM 0 HD12 ILE A 43 -7.715 6.898 33.372 1.00 0.31 H new ATOM 0 HD13 ILE A 43 -7.900 5.962 34.874 1.00 0.31 H new ATOM 1222 N ARG A 44 -4.795 2.805 33.743 1.00 0.27 N ATOM 1223 CA ARG A 44 -3.785 1.767 33.388 1.00 0.30 C ATOM 1224 C ARG A 44 -2.670 2.360 32.524 1.00 0.30 C ATOM 1225 O ARG A 44 -1.533 2.458 32.941 1.00 0.33 O ATOM 1226 CB ARG A 44 -4.458 0.645 32.602 1.00 0.33 C ATOM 1227 CG ARG A 44 -5.651 0.091 33.387 1.00 0.32 C ATOM 1228 CD ARG A 44 -6.098 -1.221 32.753 1.00 0.39 C ATOM 1229 NE ARG A 44 -7.545 -1.447 33.104 1.00 0.77 N ATOM 1230 CZ ARG A 44 -7.921 -2.233 34.063 1.00 1.34 C ATOM 1231 NH1 ARG A 44 -7.039 -2.925 34.732 1.00 2.11 N ATOM 1232 NH2 ARG A 44 -9.190 -2.350 34.346 1.00 1.76 N ATOM 0 H ARG A 44 -5.720 2.667 33.336 1.00 0.27 H new ATOM 0 HA ARG A 44 -3.356 1.384 34.314 1.00 0.30 H new ATOM 0 HB2 ARG A 44 -4.792 1.019 31.634 1.00 0.33 H new ATOM 0 HB3 ARG A 44 -3.741 -0.152 32.405 1.00 0.33 H new ATOM 0 HG2 ARG A 44 -5.374 -0.070 34.429 1.00 0.32 H new ATOM 0 HG3 ARG A 44 -6.471 0.809 33.383 1.00 0.32 H new ATOM 0 HD2 ARG A 44 -5.971 -1.182 31.671 1.00 0.39 H new ATOM 0 HD3 ARG A 44 -5.486 -2.046 33.116 1.00 0.39 H new ATOM 0 HE ARG A 44 -8.260 -0.960 32.563 1.00 0.77 H new ATOM 0 HH11 ARG A 44 -6.049 -2.848 34.501 1.00 2.11 H new ATOM 0 HH12 ARG A 44 -7.340 -3.542 35.486 1.00 2.11 H new ATOM 0 HH21 ARG A 44 -9.882 -1.824 33.813 1.00 1.76 H new ATOM 0 HH22 ARG A 44 -9.489 -2.968 35.100 1.00 1.76 H new ATOM 1246 N GLN A 45 -2.978 2.726 31.309 1.00 0.28 N ATOM 1247 CA GLN A 45 -1.924 3.275 30.410 1.00 0.29 C ATOM 1248 C GLN A 45 -1.533 4.689 30.840 1.00 0.27 C ATOM 1249 O GLN A 45 -2.367 5.508 31.169 1.00 0.26 O ATOM 1250 CB GLN A 45 -2.436 3.292 28.969 1.00 0.30 C ATOM 1251 CG GLN A 45 -2.919 1.891 28.582 1.00 0.34 C ATOM 1252 CD GLN A 45 -3.409 1.899 27.133 1.00 0.42 C ATOM 1253 OE1 GLN A 45 -3.928 2.890 26.660 1.00 0.51 O ATOM 1254 NE2 GLN A 45 -3.267 0.827 26.403 1.00 0.75 N ATOM 0 H GLN A 45 -3.911 2.669 30.901 1.00 0.28 H new ATOM 0 HA GLN A 45 -1.042 2.638 30.475 1.00 0.29 H new ATOM 0 HB2 GLN A 45 -3.251 4.009 28.870 1.00 0.30 H new ATOM 0 HB3 GLN A 45 -1.643 3.614 28.294 1.00 0.30 H new ATOM 0 HG2 GLN A 45 -2.109 1.171 28.699 1.00 0.34 H new ATOM 0 HG3 GLN A 45 -3.723 1.576 29.247 1.00 0.34 H new ATOM 0 HE21 GLN A 45 -2.831 -0.006 26.799 1.00 0.75 H new ATOM 0 HE22 GLN A 45 -3.592 0.822 25.436 1.00 0.75 H new ATOM 1263 N SER A 46 -0.258 4.974 30.836 1.00 0.30 N ATOM 1264 CA SER A 46 0.214 6.327 31.241 1.00 0.31 C ATOM 1265 C SER A 46 -0.276 7.370 30.235 1.00 0.30 C ATOM 1266 O SER A 46 -0.625 8.474 30.596 1.00 0.30 O ATOM 1267 CB SER A 46 1.742 6.339 31.285 1.00 0.37 C ATOM 1268 OG SER A 46 2.252 6.004 30.001 1.00 0.42 O ATOM 0 H SER A 46 0.480 4.323 30.568 1.00 0.30 H new ATOM 0 HA SER A 46 -0.183 6.567 32.228 1.00 0.31 H new ATOM 0 HB2 SER A 46 2.101 7.323 31.586 1.00 0.37 H new ATOM 0 HB3 SER A 46 2.101 5.628 32.029 1.00 0.37 H new ATOM 0 HG SER A 46 2.127 5.046 29.839 1.00 0.42 H new ATOM 1274 N ARG A 47 -0.310 7.040 28.975 1.00 0.30 N ATOM 1275 CA ARG A 47 -0.785 8.034 27.974 1.00 0.31 C ATOM 1276 C ARG A 47 -2.206 8.464 28.340 1.00 0.28 C ATOM 1277 O ARG A 47 -2.568 9.620 28.230 1.00 0.30 O ATOM 1278 CB ARG A 47 -0.773 7.412 26.573 1.00 0.33 C ATOM 1279 CG ARG A 47 -1.867 6.337 26.458 1.00 0.43 C ATOM 1280 CD ARG A 47 -1.680 5.515 25.162 1.00 0.47 C ATOM 1281 NE ARG A 47 -1.264 4.126 25.518 1.00 0.82 N ATOM 1282 CZ ARG A 47 -1.216 3.210 24.591 1.00 1.03 C ATOM 1283 NH1 ARG A 47 -1.439 3.535 23.362 1.00 1.46 N ATOM 1284 NH2 ARG A 47 -0.947 1.974 24.888 1.00 1.76 N ATOM 0 H ARG A 47 -0.032 6.134 28.597 1.00 0.30 H new ATOM 0 HA ARG A 47 -0.125 8.902 27.976 1.00 0.31 H new ATOM 0 HB2 ARG A 47 -0.934 8.186 25.822 1.00 0.33 H new ATOM 0 HB3 ARG A 47 0.203 6.971 26.372 1.00 0.33 H new ATOM 0 HG2 ARG A 47 -1.829 5.676 27.324 1.00 0.43 H new ATOM 0 HG3 ARG A 47 -2.850 6.808 26.459 1.00 0.43 H new ATOM 0 HD2 ARG A 47 -2.609 5.495 24.593 1.00 0.47 H new ATOM 0 HD3 ARG A 47 -0.927 5.981 24.527 1.00 0.47 H new ATOM 0 HE ARG A 47 -1.019 3.895 26.481 1.00 0.82 H new ATOM 0 HH11 ARG A 47 -1.651 4.503 23.121 1.00 1.46 H new ATOM 0 HH12 ARG A 47 -1.403 2.824 22.632 1.00 1.46 H new ATOM 0 HH21 ARG A 47 -0.770 1.709 25.857 1.00 1.76 H new ATOM 0 HH22 ARG A 47 -0.913 1.268 24.152 1.00 1.76 H new ATOM 1298 N ASN A 48 -3.014 7.538 28.778 1.00 0.27 N ATOM 1299 CA ASN A 48 -4.409 7.886 29.155 1.00 0.27 C ATOM 1300 C ASN A 48 -4.389 8.760 30.408 1.00 0.26 C ATOM 1301 O ASN A 48 -5.212 9.639 30.573 1.00 0.29 O ATOM 1302 CB ASN A 48 -5.200 6.606 29.426 1.00 0.27 C ATOM 1303 CG ASN A 48 -5.502 5.907 28.099 1.00 0.30 C ATOM 1304 OD1 ASN A 48 -5.829 6.550 27.122 1.00 0.35 O ATOM 1305 ND2 ASN A 48 -5.410 4.607 28.024 1.00 0.33 N ATOM 0 H ASN A 48 -2.766 6.555 28.890 1.00 0.27 H new ATOM 0 HA ASN A 48 -4.884 8.433 28.341 1.00 0.27 H new ATOM 0 HB2 ASN A 48 -4.630 5.944 30.077 1.00 0.27 H new ATOM 0 HB3 ASN A 48 -6.129 6.842 29.945 1.00 0.27 H new ATOM 0 HD21 ASN A 48 -5.613 4.131 27.145 1.00 0.33 H new ATOM 0 HD22 ASN A 48 -5.135 4.067 28.845 1.00 0.33 H new ATOM 1312 N LEU A 49 -3.448 8.544 31.291 1.00 0.25 N ATOM 1313 CA LEU A 49 -3.385 9.389 32.516 1.00 0.26 C ATOM 1314 C LEU A 49 -3.385 10.851 32.088 1.00 0.29 C ATOM 1315 O LEU A 49 -4.080 11.676 32.641 1.00 0.30 O ATOM 1316 CB LEU A 49 -2.097 9.093 33.298 1.00 0.30 C ATOM 1317 CG LEU A 49 -2.018 9.987 34.547 1.00 0.33 C ATOM 1318 CD1 LEU A 49 -3.170 9.653 35.504 1.00 0.42 C ATOM 1319 CD2 LEU A 49 -0.674 9.758 35.244 1.00 0.40 C ATOM 0 H LEU A 49 -2.728 7.826 31.216 1.00 0.25 H new ATOM 0 HA LEU A 49 -4.242 9.174 33.155 1.00 0.26 H new ATOM 0 HB2 LEU A 49 -2.074 8.043 33.591 1.00 0.30 H new ATOM 0 HB3 LEU A 49 -1.229 9.266 32.662 1.00 0.30 H new ATOM 0 HG LEU A 49 -2.101 11.033 34.253 1.00 0.33 H new ATOM 0 HD11 LEU A 49 -3.107 10.290 36.386 1.00 0.42 H new ATOM 0 HD12 LEU A 49 -4.122 9.823 35.001 1.00 0.42 H new ATOM 0 HD13 LEU A 49 -3.101 8.608 35.806 1.00 0.42 H new ATOM 0 HD21 LEU A 49 -0.612 10.389 36.131 1.00 0.40 H new ATOM 0 HD22 LEU A 49 -0.590 8.711 35.537 1.00 0.40 H new ATOM 0 HD23 LEU A 49 0.137 10.010 34.561 1.00 0.40 H new ATOM 1331 N ARG A 50 -2.600 11.172 31.106 1.00 0.32 N ATOM 1332 CA ARG A 50 -2.539 12.575 30.633 1.00 0.36 C ATOM 1333 C ARG A 50 -3.944 13.017 30.216 1.00 0.35 C ATOM 1334 O ARG A 50 -4.423 14.067 30.597 1.00 0.37 O ATOM 1335 CB ARG A 50 -1.577 12.645 29.422 1.00 0.43 C ATOM 1336 CG ARG A 50 -0.632 13.848 29.564 1.00 1.27 C ATOM 1337 CD ARG A 50 0.033 14.208 28.218 1.00 1.72 C ATOM 1338 NE ARG A 50 1.477 13.799 28.323 1.00 2.29 N ATOM 1339 CZ ARG A 50 2.438 14.505 27.816 1.00 2.94 C ATOM 1340 NH1 ARG A 50 2.188 15.667 27.275 1.00 3.29 N ATOM 1341 NH2 ARG A 50 3.665 14.065 27.871 1.00 3.76 N ATOM 0 H ARG A 50 -1.995 10.519 30.608 1.00 0.32 H new ATOM 0 HA ARG A 50 -2.176 13.233 31.423 1.00 0.36 H new ATOM 0 HB2 ARG A 50 -0.998 11.724 29.355 1.00 0.43 H new ATOM 0 HB3 ARG A 50 -2.149 12.730 28.498 1.00 0.43 H new ATOM 0 HG2 ARG A 50 -1.189 14.707 29.937 1.00 1.27 H new ATOM 0 HG3 ARG A 50 0.138 13.622 30.302 1.00 1.27 H new ATOM 0 HD2 ARG A 50 -0.457 13.689 27.394 1.00 1.72 H new ATOM 0 HD3 ARG A 50 -0.053 15.276 28.018 1.00 1.72 H new ATOM 0 HE ARG A 50 1.708 12.934 28.811 1.00 2.29 H new ATOM 0 HH11 ARG A 50 1.232 16.023 27.250 1.00 3.29 H new ATOM 0 HH12 ARG A 50 2.948 16.219 26.877 1.00 3.29 H new ATOM 0 HH21 ARG A 50 3.866 13.168 28.312 1.00 3.76 H new ATOM 0 HH22 ARG A 50 4.424 14.618 27.473 1.00 3.76 H new ATOM 1355 N ARG A 51 -4.593 12.213 29.430 1.00 0.33 N ATOM 1356 CA ARG A 51 -5.961 12.558 28.960 1.00 0.34 C ATOM 1357 C ARG A 51 -6.892 12.727 30.162 1.00 0.31 C ATOM 1358 O ARG A 51 -7.803 13.531 30.147 1.00 0.33 O ATOM 1359 CB ARG A 51 -6.469 11.430 28.065 1.00 0.35 C ATOM 1360 CG ARG A 51 -7.723 11.881 27.319 1.00 0.39 C ATOM 1361 CD ARG A 51 -8.181 10.757 26.391 1.00 0.46 C ATOM 1362 NE ARG A 51 -8.338 9.502 27.182 1.00 0.50 N ATOM 1363 CZ ARG A 51 -8.949 8.478 26.661 1.00 0.58 C ATOM 1364 NH1 ARG A 51 -9.418 8.552 25.448 1.00 0.88 N ATOM 1365 NH2 ARG A 51 -9.081 7.378 27.351 1.00 0.65 N ATOM 0 H ARG A 51 -4.232 11.322 29.088 1.00 0.33 H new ATOM 0 HA ARG A 51 -5.938 13.493 28.400 1.00 0.34 H new ATOM 0 HB2 ARG A 51 -5.695 11.143 27.353 1.00 0.35 H new ATOM 0 HB3 ARG A 51 -6.691 10.549 28.667 1.00 0.35 H new ATOM 0 HG2 ARG A 51 -8.513 12.130 28.027 1.00 0.39 H new ATOM 0 HG3 ARG A 51 -7.515 12.783 26.744 1.00 0.39 H new ATOM 0 HD2 ARG A 51 -9.126 11.023 25.917 1.00 0.46 H new ATOM 0 HD3 ARG A 51 -7.454 10.609 25.592 1.00 0.46 H new ATOM 0 HE ARG A 51 -7.967 9.447 28.130 1.00 0.50 H new ATOM 0 HH11 ARG A 51 -9.306 9.411 24.909 1.00 0.88 H new ATOM 0 HH12 ARG A 51 -9.897 7.751 25.037 1.00 0.88 H new ATOM 0 HH21 ARG A 51 -8.705 7.322 28.298 1.00 0.65 H new ATOM 0 HH22 ARG A 51 -9.560 6.575 26.944 1.00 0.65 H new ATOM 1379 N HIS A 52 -6.669 11.978 31.206 1.00 0.28 N ATOM 1380 CA HIS A 52 -7.538 12.099 32.410 1.00 0.28 C ATOM 1381 C HIS A 52 -7.324 13.480 33.042 1.00 0.31 C ATOM 1382 O HIS A 52 -8.228 14.056 33.613 1.00 0.33 O ATOM 1383 CB HIS A 52 -7.177 10.987 33.407 1.00 0.26 C ATOM 1384 CG HIS A 52 -7.780 11.266 34.759 1.00 0.27 C ATOM 1385 ND1 HIS A 52 -9.021 10.747 35.147 1.00 0.31 N ATOM 1386 CD2 HIS A 52 -7.317 11.982 35.840 1.00 0.28 C ATOM 1387 CE1 HIS A 52 -9.255 11.154 36.412 1.00 0.34 C ATOM 1388 NE2 HIS A 52 -8.252 11.895 36.851 1.00 0.31 N ATOM 0 H HIS A 52 -5.922 11.287 31.278 1.00 0.28 H new ATOM 0 HA HIS A 52 -8.587 11.994 32.133 1.00 0.28 H new ATOM 0 HB2 HIS A 52 -7.536 10.028 33.035 1.00 0.26 H new ATOM 0 HB3 HIS A 52 -6.093 10.909 33.496 1.00 0.26 H new ATOM 0 HD1 HIS A 52 -9.636 10.167 34.577 1.00 0.31 H new ATOM 0 HD2 HIS A 52 -6.382 12.520 35.888 1.00 0.28 H new ATOM 0 HE1 HIS A 52 -10.137 10.909 36.985 1.00 0.34 H new ATOM 1396 N LEU A 53 -6.139 14.019 32.937 1.00 0.33 N ATOM 1397 CA LEU A 53 -5.882 15.363 33.526 1.00 0.37 C ATOM 1398 C LEU A 53 -6.716 16.413 32.786 1.00 0.40 C ATOM 1399 O LEU A 53 -7.319 17.280 33.387 1.00 0.43 O ATOM 1400 CB LEU A 53 -4.394 15.720 33.397 1.00 0.41 C ATOM 1401 CG LEU A 53 -3.524 14.691 34.138 1.00 0.42 C ATOM 1402 CD1 LEU A 53 -2.045 15.026 33.910 1.00 0.46 C ATOM 1403 CD2 LEU A 53 -3.828 14.724 35.648 1.00 0.40 C ATOM 0 H LEU A 53 -5.341 13.588 32.470 1.00 0.33 H new ATOM 0 HA LEU A 53 -6.158 15.346 34.580 1.00 0.37 H new ATOM 0 HB2 LEU A 53 -4.112 15.752 32.345 1.00 0.41 H new ATOM 0 HB3 LEU A 53 -4.217 16.715 33.805 1.00 0.41 H new ATOM 0 HG LEU A 53 -3.745 13.695 33.755 1.00 0.42 H new ATOM 0 HD11 LEU A 53 -1.423 14.300 34.433 1.00 0.46 H new ATOM 0 HD12 LEU A 53 -1.824 14.991 32.843 1.00 0.46 H new ATOM 0 HD13 LEU A 53 -1.835 16.025 34.292 1.00 0.46 H new ATOM 0 HD21 LEU A 53 -3.205 13.991 36.161 1.00 0.40 H new ATOM 0 HD22 LEU A 53 -3.615 15.718 36.040 1.00 0.40 H new ATOM 0 HD23 LEU A 53 -4.879 14.486 35.813 1.00 0.40 H new ATOM 1415 N GLU A 54 -6.732 16.354 31.483 1.00 0.40 N ATOM 1416 CA GLU A 54 -7.500 17.360 30.690 1.00 0.44 C ATOM 1417 C GLU A 54 -9.012 17.110 30.757 1.00 0.43 C ATOM 1418 O GLU A 54 -9.790 17.975 30.411 1.00 0.48 O ATOM 1419 CB GLU A 54 -7.037 17.310 29.229 1.00 0.47 C ATOM 1420 CG GLU A 54 -5.515 17.555 29.154 1.00 0.52 C ATOM 1421 CD GLU A 54 -5.148 18.174 27.803 1.00 1.28 C ATOM 1422 OE1 GLU A 54 -5.943 18.061 26.886 1.00 2.09 O ATOM 1423 OE2 GLU A 54 -4.078 18.752 27.712 1.00 1.88 O ATOM 0 H GLU A 54 -6.244 15.650 30.929 1.00 0.40 H new ATOM 0 HA GLU A 54 -7.308 18.344 31.118 1.00 0.44 H new ATOM 0 HB2 GLU A 54 -7.280 16.341 28.794 1.00 0.47 H new ATOM 0 HB3 GLU A 54 -7.565 18.063 28.645 1.00 0.47 H new ATOM 0 HG2 GLU A 54 -5.205 18.217 29.962 1.00 0.52 H new ATOM 0 HG3 GLU A 54 -4.980 16.615 29.289 1.00 0.52 H new ATOM 1430 N LEU A 55 -9.449 15.947 31.175 1.00 0.39 N ATOM 1431 CA LEU A 55 -10.925 15.678 31.227 1.00 0.40 C ATOM 1432 C LEU A 55 -11.474 15.855 32.649 1.00 0.42 C ATOM 1433 O LEU A 55 -12.567 16.356 32.832 1.00 0.50 O ATOM 1434 CB LEU A 55 -11.210 14.234 30.788 1.00 0.40 C ATOM 1435 CG LEU A 55 -10.887 14.030 29.299 1.00 0.42 C ATOM 1436 CD1 LEU A 55 -11.208 12.578 28.926 1.00 0.48 C ATOM 1437 CD2 LEU A 55 -11.727 14.982 28.423 1.00 0.52 C ATOM 0 H LEU A 55 -8.855 15.176 31.481 1.00 0.39 H new ATOM 0 HA LEU A 55 -11.410 16.390 30.559 1.00 0.40 H new ATOM 0 HB2 LEU A 55 -10.617 13.545 31.389 1.00 0.40 H new ATOM 0 HB3 LEU A 55 -12.258 13.996 30.971 1.00 0.40 H new ATOM 0 HG LEU A 55 -9.833 14.246 29.127 1.00 0.42 H new ATOM 0 HD11 LEU A 55 -10.985 12.415 27.872 1.00 0.48 H new ATOM 0 HD12 LEU A 55 -10.604 11.904 29.533 1.00 0.48 H new ATOM 0 HD13 LEU A 55 -12.265 12.381 29.108 1.00 0.48 H new ATOM 0 HD21 LEU A 55 -11.483 14.821 27.373 1.00 0.52 H new ATOM 0 HD22 LEU A 55 -12.787 14.784 28.583 1.00 0.52 H new ATOM 0 HD23 LEU A 55 -11.506 16.015 28.693 1.00 0.52 H new ATOM 1449 N ARG A 56 -10.759 15.410 33.652 1.00 0.42 N ATOM 1450 CA ARG A 56 -11.280 15.511 35.057 1.00 0.48 C ATOM 1451 C ARG A 56 -10.576 16.612 35.862 1.00 0.49 C ATOM 1452 O ARG A 56 -10.753 16.696 37.060 1.00 0.54 O ATOM 1453 CB ARG A 56 -11.043 14.174 35.754 1.00 0.50 C ATOM 1454 CG ARG A 56 -11.640 13.034 34.917 1.00 0.53 C ATOM 1455 CD ARG A 56 -13.157 13.201 34.751 1.00 0.63 C ATOM 1456 NE ARG A 56 -13.755 13.719 36.020 1.00 0.93 N ATOM 1457 CZ ARG A 56 -15.013 14.058 36.060 1.00 1.52 C ATOM 1458 NH1 ARG A 56 -15.785 13.818 35.036 1.00 2.09 N ATOM 1459 NH2 ARG A 56 -15.507 14.605 37.136 1.00 2.06 N ATOM 0 H ARG A 56 -9.838 14.981 33.562 1.00 0.42 H new ATOM 0 HA ARG A 56 -12.340 15.760 35.007 1.00 0.48 H new ATOM 0 HB2 ARG A 56 -9.974 14.012 35.895 1.00 0.50 H new ATOM 0 HB3 ARG A 56 -11.497 14.185 36.745 1.00 0.50 H new ATOM 0 HG2 ARG A 56 -11.165 13.012 33.936 1.00 0.53 H new ATOM 0 HG3 ARG A 56 -11.427 12.078 35.396 1.00 0.53 H new ATOM 0 HD2 ARG A 56 -13.368 13.889 33.932 1.00 0.63 H new ATOM 0 HD3 ARG A 56 -13.610 12.245 34.489 1.00 0.63 H new ATOM 0 HE ARG A 56 -13.177 13.807 36.856 1.00 0.93 H new ATOM 0 HH11 ARG A 56 -15.404 13.365 34.205 1.00 2.09 H new ATOM 0 HH12 ARG A 56 -16.770 14.083 35.066 1.00 2.09 H new ATOM 0 HH21 ARG A 56 -14.909 14.768 37.946 1.00 2.06 H new ATOM 0 HH22 ARG A 56 -16.491 14.870 37.167 1.00 2.06 H new ATOM 1473 N HIS A 57 -9.784 17.458 35.253 1.00 0.50 N ATOM 1474 CA HIS A 57 -9.102 18.522 36.062 1.00 0.55 C ATOM 1475 C HIS A 57 -8.803 19.753 35.202 1.00 0.63 C ATOM 1476 O HIS A 57 -9.439 20.779 35.338 1.00 0.72 O ATOM 1477 CB HIS A 57 -7.799 17.964 36.639 1.00 0.51 C ATOM 1478 CG HIS A 57 -8.108 16.753 37.479 1.00 0.45 C ATOM 1479 ND1 HIS A 57 -8.921 16.818 38.616 1.00 0.48 N ATOM 1480 CD2 HIS A 57 -7.744 15.432 37.354 1.00 0.42 C ATOM 1481 CE1 HIS A 57 -9.020 15.568 39.119 1.00 0.46 C ATOM 1482 NE2 HIS A 57 -8.321 14.717 38.379 1.00 0.39 N ATOM 0 H HIS A 57 -9.581 17.463 34.253 1.00 0.50 H new ATOM 0 HA HIS A 57 -9.765 18.824 36.873 1.00 0.55 H new ATOM 0 HB2 HIS A 57 -7.115 17.698 35.833 1.00 0.51 H new ATOM 0 HB3 HIS A 57 -7.300 18.722 37.243 1.00 0.51 H new ATOM 0 HD1 HIS A 57 -9.359 17.657 38.996 1.00 0.48 H new ATOM 0 HD2 HIS A 57 -7.111 15.024 36.580 1.00 0.42 H new ATOM 0 HE1 HIS A 57 -9.587 15.300 39.998 1.00 0.46 H new ATOM 1490 N PHE A 58 -7.840 19.673 34.326 1.00 0.62 N ATOM 1491 CA PHE A 58 -7.517 20.858 33.482 1.00 0.73 C ATOM 1492 C PHE A 58 -8.561 20.980 32.373 1.00 0.76 C ATOM 1493 O PHE A 58 -8.382 21.698 31.408 1.00 0.90 O ATOM 1494 CB PHE A 58 -6.125 20.690 32.871 1.00 0.75 C ATOM 1495 CG PHE A 58 -5.079 20.849 33.947 1.00 0.76 C ATOM 1496 CD1 PHE A 58 -4.690 19.742 34.710 1.00 0.65 C ATOM 1497 CD2 PHE A 58 -4.498 22.100 34.183 1.00 0.96 C ATOM 1498 CE1 PHE A 58 -3.720 19.886 35.709 1.00 0.69 C ATOM 1499 CE2 PHE A 58 -3.528 22.245 35.182 1.00 1.00 C ATOM 1500 CZ PHE A 58 -3.138 21.137 35.945 1.00 0.84 C ATOM 0 H PHE A 58 -7.267 18.846 34.159 1.00 0.62 H new ATOM 0 HA PHE A 58 -7.528 21.760 34.093 1.00 0.73 H new ATOM 0 HB2 PHE A 58 -6.037 19.708 32.406 1.00 0.75 H new ATOM 0 HB3 PHE A 58 -5.969 21.430 32.086 1.00 0.75 H new ATOM 0 HD1 PHE A 58 -5.138 18.776 34.528 1.00 0.65 H new ATOM 0 HD2 PHE A 58 -4.798 22.954 33.594 1.00 0.96 H new ATOM 0 HE1 PHE A 58 -3.421 19.032 36.298 1.00 0.69 H new ATOM 0 HE2 PHE A 58 -3.081 23.211 35.364 1.00 1.00 H new ATOM 0 HZ PHE A 58 -2.389 21.248 36.715 1.00 0.84 H new ATOM 1510 N ALA A 59 -9.655 20.285 32.512 1.00 0.68 N ATOM 1511 CA ALA A 59 -10.727 20.354 31.481 1.00 0.73 C ATOM 1512 C ALA A 59 -11.451 21.701 31.593 1.00 0.95 C ATOM 1513 O ALA A 59 -12.421 21.953 30.906 1.00 1.06 O ATOM 1514 CB ALA A 59 -11.719 19.197 31.697 1.00 0.66 C ATOM 0 H ALA A 59 -9.854 19.669 33.300 1.00 0.68 H new ATOM 0 HA ALA A 59 -10.291 20.266 30.486 1.00 0.73 H new ATOM 0 HB1 ALA A 59 -12.505 19.246 30.943 1.00 0.66 H new ATOM 0 HB2 ALA A 59 -11.193 18.246 31.612 1.00 0.66 H new ATOM 0 HB3 ALA A 59 -12.163 19.279 32.689 1.00 0.66 H new ATOM 1520 N LYS A 60 -10.976 22.575 32.438 1.00 1.09 N ATOM 1521 CA LYS A 60 -11.629 23.909 32.570 1.00 1.35 C ATOM 1522 C LYS A 60 -11.082 24.800 31.468 1.00 1.55 C ATOM 1523 O LYS A 60 -9.939 24.657 31.085 1.00 1.62 O ATOM 1524 CB LYS A 60 -11.231 24.578 33.888 1.00 1.51 C ATOM 1525 CG LYS A 60 -11.768 23.818 35.104 1.00 1.76 C ATOM 1526 CD LYS A 60 -11.555 24.688 36.369 1.00 2.09 C ATOM 1527 CE LYS A 60 -11.312 23.809 37.596 1.00 2.54 C ATOM 1528 NZ LYS A 60 -12.415 22.815 37.718 1.00 3.22 N ATOM 0 H LYS A 60 -10.167 22.424 33.041 1.00 1.09 H new ATOM 0 HA LYS A 60 -12.710 23.777 32.522 1.00 1.35 H new ATOM 0 HB2 LYS A 60 -10.144 24.639 33.950 1.00 1.51 H new ATOM 0 HB3 LYS A 60 -11.609 25.600 33.904 1.00 1.51 H new ATOM 0 HG2 LYS A 60 -12.827 23.595 34.973 1.00 1.76 H new ATOM 0 HG3 LYS A 60 -11.252 22.864 35.211 1.00 1.76 H new ATOM 0 HD2 LYS A 60 -10.706 25.354 36.219 1.00 2.09 H new ATOM 0 HD3 LYS A 60 -12.429 25.318 36.534 1.00 2.09 H new ATOM 0 HE2 LYS A 60 -10.354 23.297 37.506 1.00 2.54 H new ATOM 0 HE3 LYS A 60 -11.261 24.425 38.494 1.00 2.54 H new ATOM 0 HZ1 LYS A 60 -12.418 22.416 38.679 1.00 3.22 H new ATOM 0 HZ2 LYS A 60 -13.326 23.282 37.534 1.00 3.22 H new ATOM 0 HZ3 LYS A 60 -12.272 22.051 37.027 1.00 3.22 H new ATOM 1542 N PRO A 61 -11.835 25.745 30.982 1.00 1.75 N ATOM 1543 CA PRO A 61 -11.294 26.655 29.955 1.00 2.04 C ATOM 1544 C PRO A 61 -10.058 27.342 30.537 1.00 2.31 C ATOM 1545 O PRO A 61 -10.111 27.923 31.603 1.00 2.39 O ATOM 1546 CB PRO A 61 -12.436 27.658 29.673 1.00 2.19 C ATOM 1547 CG PRO A 61 -13.458 27.449 30.762 1.00 2.13 C ATOM 1548 CD PRO A 61 -13.229 26.045 31.334 1.00 1.81 C ATOM 0 HA PRO A 61 -10.988 26.159 29.034 1.00 2.04 H new ATOM 0 HB2 PRO A 61 -12.064 28.683 29.679 1.00 2.19 H new ATOM 0 HB3 PRO A 61 -12.873 27.484 28.690 1.00 2.19 H new ATOM 0 HG2 PRO A 61 -13.351 28.204 31.541 1.00 2.13 H new ATOM 0 HG3 PRO A 61 -14.469 27.543 30.365 1.00 2.13 H new ATOM 0 HD2 PRO A 61 -13.383 26.023 32.413 1.00 1.81 H new ATOM 0 HD3 PRO A 61 -13.916 25.319 30.899 1.00 1.81 H new ATOM 1556 N GLY A 62 -8.946 27.269 29.871 1.00 2.59 N ATOM 1557 CA GLY A 62 -7.724 27.910 30.426 1.00 2.96 C ATOM 1558 C GLY A 62 -7.863 29.422 30.304 1.00 3.48 C ATOM 1559 O GLY A 62 -8.953 29.941 30.172 1.00 3.90 O ATOM 0 H GLY A 62 -8.828 26.798 28.974 1.00 2.59 H new ATOM 0 HA2 GLY A 62 -7.590 27.627 31.470 1.00 2.96 H new ATOM 0 HA3 GLY A 62 -6.841 27.568 29.887 1.00 2.96 H new ATOM 1563 N VAL A 63 -6.767 30.133 30.342 1.00 3.93 N ATOM 1564 CA VAL A 63 -6.825 31.621 30.219 1.00 4.73 C ATOM 1565 C VAL A 63 -5.722 32.076 29.260 1.00 5.32 C ATOM 1566 O VAL A 63 -5.943 33.047 28.558 1.00 5.68 O ATOM 1567 CB VAL A 63 -6.633 32.271 31.610 1.00 5.40 C ATOM 1568 CG1 VAL A 63 -7.489 33.538 31.721 1.00 5.85 C ATOM 1569 CG2 VAL A 63 -7.061 31.286 32.705 1.00 5.58 C ATOM 1570 OXT VAL A 63 -4.678 31.443 29.241 1.00 5.76 O ATOM 0 H VAL A 63 -5.830 29.746 30.453 1.00 3.93 H new ATOM 0 HA VAL A 63 -7.796 31.927 29.829 1.00 4.73 H new ATOM 0 HB VAL A 63 -5.581 32.529 31.733 1.00 5.40 H new ATOM 0 HG11 VAL A 63 -7.347 33.988 32.704 1.00 5.85 H new ATOM 0 HG12 VAL A 63 -7.190 34.248 30.950 1.00 5.85 H new ATOM 0 HG13 VAL A 63 -8.540 33.280 31.589 1.00 5.85 H new ATOM 0 HG21 VAL A 63 -6.924 31.747 33.683 1.00 5.58 H new ATOM 0 HG22 VAL A 63 -8.111 31.026 32.570 1.00 5.58 H new ATOM 0 HG23 VAL A 63 -6.452 30.384 32.641 1.00 5.58 H new TER 1580 VAL A 63 HETATM 1581 ZN ZN A 64 -8.114 12.736 38.660 1.00 0.35 ZN CONECT 1108 1581 CONECT 1151 1581 CONECT 1388 1581 CONECT 1482 1581 CONECT 1581 1108 1151 1388 1482 END