USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 815 hydrogens (0 hets) HEADER TRANSCRIPTION/DNA 07-NOV-97 4GAT TITLE SOLUTION NMR STRUCTURE OF THE WILD TYPE DNA BINDING DOMAIN TITLE 2 OF AREA COMPLEXED TO A 13BP DNA CONTAINING A CGATA SITE, TITLE 3 REGULARIZED MEAN STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'- COMPND 3 D(*CP*AP*GP*CP*GP*AP*TP*AP*GP*AP*GP*AP*C)-3'); COMPND 4 CHAIN: B; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: DNA (5'- COMPND 8 D(*GP*TP*CP*TP*CP*TP*AP*TP*CP*GP*CP*TP*G)-3'); COMPND 9 CHAIN: C; COMPND 0 ENGINEERED: YES; COMPND 1 MOL_ID: 3; COMPND 2 MOLECULE: NITROGEN REGULATORY PROTEIN AREA; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: DNA BINDING DOMAIN; COMPND 5 ENGINEERED: YES 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: EMERICELLA NIDULANS; SOURCE 7 ORGANISM_TAXID: 162425; SOURCE 8 ORGAN: TAIL; SOURCE 9 GENE: POTENTIAL; SOURCE 0 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 1 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS DNA BINDING PROTEIN, TRANSCRIPTION FACTOR, ZINC BINDING KEYWDS 2 DOMAIN, COMPLEX (TRANSCRIPTION REGULATION/DNA), KEYWDS 3 TRANSCRIPTION/DNA COMPLEX EXPDTA SOLUTION NMR AUTHOR G.M.CLORE,M.STARICH,M.WIKSTROM,A.M.GRONENBORN REVDAT 3 24-FEB-09 4GAT 1 VERSN REVDAT 2 01-APR-03 4GAT 1 JRNL REVDAT 1 28-JAN-98 4GAT 0 JRNL AUTH M.R.STARICH,M.WIKSTROM,H.N.ARST JR.,G.M.CLORE, JRNL AUTH 2 A.M.GRONENBORN JRNL TITL THE SOLUTION STRUCTURE OF A FUNGAL AREA JRNL TITL 2 PROTEIN-DNA COMPLEX: AN ALTERNATIVE BINDING MODE JRNL TITL 3 FOR THE BASIC CARBOXYL TAIL OF GATA FACTORS. JRNL REF J.MOL.BIOL. V. 277 605 1998 JRNL REFN ISSN 0022-2836 JRNL PMID 9533883 JRNL DOI 10.1006/JMBI.1998.1625 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 THE STRUCTURES WERE CALCULATED USING THE SIMULATED REMARK 3 ANNEALING PROTOCOL OF NILGES ET AL. (1988) FEBS LETT. REMARK 3 229, 129 - 136 AND PROTEIN ENGINEERING 2, 27 - 38 USING REMARK 3 THE PROGRAM X-PLOR MODIFIED TO INCORPORATE COUPLING REMARK 3 CONSTANT RESTRAINTS (GARRETT ET AL. (1994) J. MAGN RESON. REMARK 3 SERIES B 104, 99 - 103), CARBON CHEMICAL SHIFT RESTRAINTS REMARK 3 (KUSZEWSKI ET AL. (1995) J. MAGN. RESON. SERIES B 106, 92 REMARK 3 - 96) RESTRAINTS, DIPOLAR COUPLING RESTRAINTS (TJANDRA ET REMARK 3 AL. (1997) NATURE STRUCT BIOL 4, 732-738) AND A REMARK 3 CONFORMATIONAL DATABASE POTENTIAL FOR PROTEINS AND NUCLEIC REMARK 3 ACIDS (KUSZEWSKI ET AL. (1996) PROTEIN SCI 5, 1067 - 1080 REMARK 3 AND (1997) J. MAGN. RESON. 125, 171-177) REMARK 3 REMARK 3 THE 3D STRUCTURE OF THE COMPLEX OF THE WILD TYPE AREA REMARK 3 DBD-DNA COMPLEX WAS SOLVED BY MULTI-DIMENSIONAL REMARK 3 HETERONUCLEAR-EDITED AND -FILTERED NMR IS BASED ON THE REMARK 3 FOLLOWING 1098 EXPERIMENTAL RESTRAINTS REMARK 3 REMARK 3 (A) PROTEIN: 119 SEQUENTIAL (|I-J|=1), 49 SHORT RANGE (1 REMARK 3 < |I-J| >=5), 68 LONG RANGE (|I-J|>5), AND 64 INTRARESIDUE REMARK 3 APPROXIMATE INTERPROTON DISTANCE RESTRAINTS; NULL 124 REMARK 3 TORSION ANGLE RESTRAINTS (61 PHI, 8 PSI, 39 CHI1, 15 CHI2, REMARK 3 AND 1 CHI3), 41 THREE-BOND HN-HA COUPLING CONSTANT REMARK 3 RESTRAINTS; NULL 77 (41 CALPHA AND 36 CBETA) 13C CHEMICAL REMARK 3 SHIFT RESTRAINTS; NULL 48 RESIDUAL N-H DIPOLAR COUPLING REMARK 3 RESTRAINTS; 20 DISTANCE RESTRAINTS FOR 10 BACKBONE REMARK 3 HYDROGEN BONDS. REMARK 3 REMARK 3 (B) DNA: 75 INTRARESIDUE, 115 SEQUENTIAL INTRASTRAND AND REMARK 3 20 INTERSTRAND INTERPROTON DISTANCE RESTRAINTS; 66 REMARK 3 DISTANCES FOR WATSON-CRICK BASE PAIR HYDROGEN BONDS; 170 REMARK 3 TORSION ANGLE RESTRAINTS FOR THE DNA BACKBONE COVERING REMARK 3 VALUES CHARACTERISTIC OF BOTH A AND B DNA. REMARK 3 REMARK 3 (C) 48 INTERMOLECULAR INTERPROTON DISTANCE RESTRAINTS REMARK 3 REMARK 3 (D) 2 INTERMOLECULAR DISTANCE RESTRAINTS TO PHOSPHATES REMARK 3 REMARK 3 (E) 8 'REPULSIVE' RESTRAINTS REMARK 3 REMARK 3 (F) 4 DISTANCE RESTRAINTS FOR 2 INTERMOLECULAR H-BONDS REMARK 3 BETWEEN ARG 24 AND BASE OF GUA5. REMARK 3 REMARK 3 THE STRUCTURE IN THIS ENTRY IS THE RESTRAINED REGULARIZED REMARK 3 MEAN STRUCTURE AND THE LAST NUMERIC COLUMN REPRESENTS THE REMARK 3 RMS OF THE 35 INDIVIDUAL SIMULATED ANNEALING STRUCTURES REMARK 3 FOUND IN PDB ENTRY 5GAT ABOUT THE MEAN COORDINATE REMARK 3 POSITIONS. THE LAST NUMERIC COLUMN IN THE INDIVIDUAL SA REMARK 3 STRUCTURES HAS NO MEANING. REMARK 3 REMARK 3 THE FOLLOWING TWO SETS OF COORDINATES DEFINE THE PRINCIPAL REMARK 3 AXIS OF THE MAGNETIC SUSCEPTIBILITY TENSOR: REMARK 3 POINT 1 115.014-147.742 -73.887 REMARK 3 POINT 2 115.768-146.457 -73.538 REMARK 4 REMARK 4 4GAT 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) : 298 REMARK 210 PH : 6.1 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 360 MHZ, 600 MHZ, 500 MHZ, REMARK 210 750 MHZ REMARK 210 SPECTROMETER MODEL : AMX500, DMX500, AMX600, REMARK 210 DMX600, DMX750, AND AM360 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR MODIFIED MODIFIED REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 35 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: DATA WERE RECORDED ON A 1:1 COMPLEX REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 DT C 115 C5 DT C 115 C7 0.037 REMARK 500 DT C 119 C5 DT C 119 C7 0.036 REMARK 500 DT C 121 C5 DT C 121 C7 0.039 REMARK 500 DT C 125 C5 DT C 125 C7 0.036 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DC B 101 O4' - C1' - N1 ANGL. DEV. = 1.8 DEGREES REMARK 500 DA B 102 O4' - C1' - N9 ANGL. DEV. = 2.1 DEGREES REMARK 500 DA B 102 N1 - C2 - N3 ANGL. DEV. = -3.1 DEGREES REMARK 500 DG B 103 O4' - C1' - N9 ANGL. DEV. = 2.3 DEGREES REMARK 500 DC B 104 O4' - C1' - N1 ANGL. DEV. = 1.9 DEGREES REMARK 500 DG B 105 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES REMARK 500 DA B 106 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES REMARK 500 DA B 106 N1 - C2 - N3 ANGL. DEV. = -3.1 DEGREES REMARK 500 DT B 107 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES REMARK 500 DA B 108 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES REMARK 500 DA B 108 N1 - C2 - N3 ANGL. DEV. = -3.0 DEGREES REMARK 500 DG B 109 O4' - C1' - N9 ANGL. DEV. = 2.1 DEGREES REMARK 500 DA B 110 O4' - C1' - N9 ANGL. DEV. = 2.1 DEGREES REMARK 500 DG B 111 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES REMARK 500 DA B 112 O4' - C1' - N9 ANGL. DEV. = 2.1 DEGREES REMARK 500 DA B 112 N1 - C2 - N3 ANGL. DEV. = -3.1 DEGREES REMARK 500 DC B 113 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES REMARK 500 DG C 114 O4' - C1' - N9 ANGL. DEV. = 2.1 DEGREES REMARK 500 DT C 115 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES REMARK 500 DC C 116 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES REMARK 500 DT C 117 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES REMARK 500 DC C 118 O4' - C1' - N1 ANGL. DEV. = 2.4 DEGREES REMARK 500 DT C 119 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES REMARK 500 DA C 120 O4' - C1' - N9 ANGL. DEV. = 2.3 DEGREES REMARK 500 DT C 121 O4' - C1' - N1 ANGL. DEV. = 3.3 DEGREES REMARK 500 DG C 123 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES REMARK 500 DC C 124 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES REMARK 500 DT C 125 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES REMARK 500 DG C 126 O4' - C1' - N9 ANGL. DEV. = 2.2 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 LYS A 2 99.70 -66.58 REMARK 500 ASN A 3 -15.73 -161.55 REMARK 500 GLU A 5 75.13 -152.96 REMARK 500 ASN A 7 -41.42 -139.09 REMARK 500 PHE A 16 7.56 57.82 REMARK 500 PRO A 27 -11.93 -44.30 REMARK 500 CYS A 33 -145.46 -85.73 REMARK 500 VAL A 46 161.58 -49.00 REMARK 500 PRO A 48 98.37 -47.83 REMARK 500 LEU A 49 -7.06 -57.03 REMARK 500 ASN A 60 -155.51 -74.88 REMARK 500 ASN A 62 24.98 -72.59 REMARK 500 ALA A 64 -90.78 179.62 REMARK 500 ASN A 65 -72.18 -179.99 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 67 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 12 SG REMARK 620 2 CYS A 15 SG 108.1 REMARK 620 3 CYS A 33 SG 109.9 110.4 REMARK 620 4 CYS A 36 SG 109.6 110.8 108.1 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 67 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 5GAT RELATED DB: PDB REMARK 900 ENSEMBLE OF 35 STRUCTURES DBREF 4GAT A 1 66 UNP P17429 AREA_EMENI 662 727 DBREF 4GAT B 101 113 PDB 4GAT 4GAT 101 113 DBREF 4GAT C 114 126 PDB 4GAT 4GAT 114 126 SEQADV 4GAT MET A 1 UNP P17429 THR 662 CONFLICT SEQRES 1 B 13 DC DA DG DC DG DA DT DA DG DA DG DA DC SEQRES 1 C 13 DG DT DC DT DC DT DA DT DC DG DC DT DG SEQRES 1 A 66 MET LYS ASN GLY GLU GLN ASN GLY PRO THR THR CYS THR SEQRES 2 A 66 ASN CYS PHE THR GLN THR THR PRO LEU TRP ARG ARG ASN SEQRES 3 A 66 PRO GLU GLY GLN PRO LEU CYS ASN ALA CYS GLY LEU PHE SEQRES 4 A 66 LEU LYS LEU HIS GLY VAL VAL ARG PRO LEU SER LEU LYS SEQRES 5 A 66 THR ASP VAL ILE LYS LYS ARG ASN ARG ASN SER ALA ASN SEQRES 6 A 66 SER HET ZN A 67 1 HETNAM ZN ZINC ION FORMUL 4 ZN ZN 2+ HELIX 1 1 ALA A 35 HIS A 43 1 9 HELIX 2 2 LEU A 49 LEU A 51 5 3 SHEET 1 A 2 ARG A 24 ASN A 26 0 SHEET 2 A 2 GLN A 30 LEU A 32 -1 N LEU A 32 O ARG A 24 LINK ZN ZN A 67 SG CYS A 12 1555 1555 2.29 LINK ZN ZN A 67 SG CYS A 15 1555 1555 2.30 LINK ZN ZN A 67 SG CYS A 33 1555 1555 2.30 LINK ZN ZN A 67 SG CYS A 36 1555 1555 2.29 SITE *** AC1 4 CYS A 12 CYS A 15 CYS A 33 CYS A 36 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 Set 1.1: A 65 ASN : amide:sc= -0.0699 X(o=-1.5,f=-1.3) USER MOD Set 1.2: A 66 SER OG : rot 180:sc= -1.38! USER MOD Set 2.1: A 17 THR OG1 : rot -112:sc= 0.277 USER MOD Set 2.2: A 52 LYS NZ :NH3+ 161:sc= 0.664 (180deg=0.0614) USER MOD Set 3.1: A 20 THR OG1 : rot -122:sc= -0.388 USER MOD Set 3.2: A 34 ASN : amide:sc= -3.93! C(o=-4.3!,f=-14!) USER MOD Set 4.1: A 6 GLN : amide:sc= 0.0509 K(o=-0.1,f=-1.5!) USER MOD Set 4.2: A 10 THR OG1 : rot 111:sc= -0.154 USER MOD Single : A 1 MET CE :methyl 149:sc= -0.832 (180deg=-2.39) USER MOD Single : A 1 MET N :NH3+ 158:sc= -0.0076 (180deg=-0.272) USER MOD Single : A 2 LYS NZ :NH3+ -142:sc= -9.63! (180deg=-13!) USER MOD Single : A 3 ASN : amide:sc= -0.543 X(o=-0.54,f=-0.44) USER MOD Single : A 7 ASN :FLIP amide:sc= 0.184 F(o=-6.1!,f=0.18) USER MOD Single : A 11 THR OG1 : rot 80:sc= 1.22 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.54 K(o=-1.5,f=-2.7!) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.714 K(o=-0.71,f=-3.7!) USER MOD Single : A 30 GLN : amide:sc= -0.595 X(o=-0.59,f=-0.11) USER MOD Single : A 41 LYS NZ :NH3+ -164:sc= -0.0415 (180deg=-0.453) USER MOD Single : A 43 HIS : +bothHN:sc= -13.5! C(o=-14!,f=-18!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.021 USER MOD Single : A 53 THR OG1 : rot -117:sc= 1.87 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0207) USER MOD Single : A 60 ASN : amide:sc= -0.779! C(o=-0.78!,f=-11!) USER MOD Single : A 62 ASN : amide:sc= -0.662 K(o=-0.66,f=-2.7!) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0945 USER MOD Single : B 101 DC O5' : rot 25:sc= -2.01! USER MOD Single : B 107 DT C7 :methyl -30:sc= 0 (180deg=-0.0262) USER MOD Single : B 113 DC O3' : rot 180:sc= 0 USER MOD Single : C 114 DG O5' : rot 71:sc= -0.2! USER MOD Single : C 115 DT C7 :methyl 150:sc= -0.046 (180deg=-0.046) USER MOD Single : C 117 DT C7 :methyl 150:sc= -0.436 (180deg=-0.436) USER MOD Single : C 119 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 121 DT C7 :methyl 150:sc= -0.0313 (180deg=-0.0313) USER MOD Single : C 125 DT C7 :methyl 150:sc= -0.346 (180deg=-0.346) USER MOD Single : C 126 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC B 101 9.046 21.328 6.959 1.00 1.66 O ATOM 2 C5' DC B 101 10.186 21.837 7.656 1.00 1.68 C ATOM 3 C4' DC B 101 9.937 21.907 9.166 1.00 1.51 C ATOM 4 O4' DC B 101 8.920 22.890 9.456 1.00 1.47 O ATOM 5 C3' DC B 101 9.482 20.559 9.740 1.00 1.38 C ATOM 6 O3' DC B 101 10.377 20.122 10.766 1.00 1.34 O ATOM 7 C2' DC B 101 8.099 20.800 10.306 1.00 1.25 C ATOM 8 C1' DC B 101 7.799 22.287 10.134 1.00 1.32 C ATOM 9 N1 DC B 101 6.557 22.481 9.340 1.00 1.33 N ATOM 10 C2 DC B 101 5.479 23.133 9.946 1.00 1.26 C ATOM 11 O2 DC B 101 5.563 23.514 11.111 1.00 1.21 O ATOM 12 N3 DC B 101 4.347 23.325 9.202 1.00 1.28 N ATOM 13 C4 DC B 101 4.267 22.900 7.923 1.00 1.36 C ATOM 14 N4 DC B 101 3.145 23.108 7.235 1.00 1.39 N ATOM 15 C5 DC B 101 5.371 22.226 7.294 1.00 1.44 C ATOM 16 C6 DC B 101 6.488 22.040 8.038 1.00 1.42 C ATOM 0 H5' DC B 101 10.430 22.831 7.280 1.00 1.68 H new ATOM 0 H5'' DC B 101 11.049 21.201 7.458 1.00 1.68 H new ATOM 0 H4' DC B 101 10.884 22.182 9.630 1.00 1.51 H new ATOM 0 H3' DC B 101 9.473 19.780 8.977 1.00 1.38 H new ATOM 0 H2' DC B 101 7.358 20.194 9.784 1.00 1.25 H new ATOM 0 H2'' DC B 101 8.058 20.518 11.358 1.00 1.25 H new ATOM 0 HO5' DC B 101 8.237 21.503 7.483 1.00 1.66 H new ATOM 0 H1' DC B 101 7.648 22.752 11.108 1.00 1.32 H new ATOM 0 H41 DC B 101 3.074 22.791 6.268 1.00 1.39 H new ATOM 0 H42 DC B 101 2.358 23.584 7.675 1.00 1.39 H new ATOM 0 H5 DC B 101 5.312 21.883 6.272 1.00 1.44 H new ATOM 0 H6 DC B 101 7.339 21.537 7.602 1.00 1.42 H new ATOM 29 P DA B 102 10.234 18.652 11.407 1.00 1.25 P ATOM 30 OP1 DA B 102 11.560 18.238 11.917 1.00 1.31 O ATOM 31 OP2 DA B 102 9.514 17.794 10.440 1.00 1.28 O ATOM 32 O5' DA B 102 9.267 18.911 12.669 1.00 1.08 O ATOM 33 C5' DA B 102 9.672 19.781 13.730 1.00 1.05 C ATOM 34 C4' DA B 102 8.640 19.808 14.863 1.00 0.90 C ATOM 35 O4' DA B 102 7.421 20.441 14.413 1.00 0.86 O ATOM 36 C3' DA B 102 8.293 18.398 15.361 1.00 0.82 C ATOM 37 O3' DA B 102 8.519 18.298 16.772 1.00 0.77 O ATOM 38 C2' DA B 102 6.826 18.202 15.037 1.00 0.73 C ATOM 39 C1' DA B 102 6.305 19.531 14.507 1.00 0.75 C ATOM 40 N9 DA B 102 5.666 19.361 13.187 1.00 0.78 N ATOM 41 C8 DA B 102 6.181 18.817 12.042 1.00 0.88 C ATOM 42 N7 DA B 102 5.384 18.834 11.012 1.00 0.89 N ATOM 43 C5 DA B 102 4.237 19.442 11.516 1.00 0.80 C ATOM 44 C6 DA B 102 2.988 19.776 10.944 1.00 0.79 C ATOM 45 N6 DA B 102 2.686 19.527 9.670 1.00 0.86 N ATOM 46 N1 DA B 102 2.059 20.380 11.740 1.00 0.73 N ATOM 47 C2 DA B 102 2.338 20.644 13.028 1.00 0.69 C ATOM 48 N3 DA B 102 3.487 20.369 13.662 1.00 0.68 N ATOM 49 C4 DA B 102 4.398 19.766 12.842 1.00 0.74 C ATOM 0 H5' DA B 102 9.812 20.789 13.341 1.00 1.05 H new ATOM 0 H5'' DA B 102 10.635 19.454 14.122 1.00 1.05 H new ATOM 0 H4' DA B 102 9.087 20.370 15.683 1.00 0.90 H new ATOM 0 H3' DA B 102 8.912 17.636 14.888 1.00 0.82 H new ATOM 0 H2' DA B 102 6.697 17.414 14.295 1.00 0.73 H new ATOM 0 H2'' DA B 102 6.272 17.897 15.925 1.00 0.73 H new ATOM 0 H1' DA B 102 5.548 19.927 15.184 1.00 0.75 H new ATOM 0 H8 DA B 102 7.177 18.403 11.996 1.00 0.88 H new ATOM 0 H61 DA B 102 1.771 19.787 9.303 1.00 0.86 H new ATOM 0 H62 DA B 102 3.370 19.077 9.062 1.00 0.86 H new ATOM 0 H2 DA B 102 1.563 21.123 13.607 1.00 0.69 H new ATOM 61 P DG B 103 8.156 16.949 17.575 1.00 0.70 P ATOM 62 OP1 DG B 103 8.980 16.904 18.803 1.00 0.74 O ATOM 63 OP2 DG B 103 8.192 15.818 16.620 1.00 0.75 O ATOM 64 O5' DG B 103 6.623 17.197 18.004 1.00 0.56 O ATOM 65 C5' DG B 103 6.269 18.318 18.821 1.00 0.54 C ATOM 66 C4' DG B 103 4.778 18.315 19.175 1.00 0.44 C ATOM 67 O4' DG B 103 3.981 18.600 18.003 1.00 0.42 O ATOM 68 C3' DG B 103 4.321 16.968 19.750 1.00 0.39 C ATOM 69 O3' DG B 103 3.819 17.132 21.080 1.00 0.38 O ATOM 70 C2' DG B 103 3.226 16.477 18.826 1.00 0.34 C ATOM 71 C1' DG B 103 2.989 17.572 17.795 1.00 0.35 C ATOM 72 N9 DG B 103 3.078 17.033 16.423 1.00 0.39 N ATOM 73 C8 DG B 103 4.093 16.326 15.839 1.00 0.46 C ATOM 74 N7 DG B 103 3.896 15.994 14.596 1.00 0.52 N ATOM 75 C5 DG B 103 2.638 16.524 14.322 1.00 0.48 C ATOM 76 C6 DG B 103 1.860 16.493 13.118 1.00 0.55 C ATOM 77 O6 DG B 103 2.152 15.978 12.041 1.00 0.64 O ATOM 78 N1 DG B 103 0.628 17.153 13.265 1.00 0.52 N ATOM 79 C2 DG B 103 0.191 17.772 14.430 1.00 0.44 C ATOM 80 N2 DG B 103 -1.010 18.350 14.386 1.00 0.47 N ATOM 81 N3 DG B 103 0.922 17.802 15.563 1.00 0.38 N ATOM 82 C4 DG B 103 2.127 17.163 15.439 1.00 0.40 C ATOM 0 H5' DG B 103 6.517 19.242 18.298 1.00 0.54 H new ATOM 0 H5'' DG B 103 6.860 18.302 19.737 1.00 0.54 H new ATOM 0 H4' DG B 103 4.637 19.086 19.932 1.00 0.44 H new ATOM 0 H3' DG B 103 5.146 16.258 19.809 1.00 0.39 H new ATOM 0 H2' DG B 103 3.520 15.547 18.340 1.00 0.34 H new ATOM 0 H2'' DG B 103 2.314 16.270 19.385 1.00 0.34 H new ATOM 0 H1' DG B 103 1.987 17.985 17.915 1.00 0.35 H new ATOM 0 H8 DG B 103 4.994 16.062 16.372 1.00 0.46 H new ATOM 0 H1 DG B 103 0.008 17.180 12.456 1.00 0.52 H new ATOM 0 H21 DG B 103 -1.381 18.819 15.212 1.00 0.47 H new ATOM 0 H22 DG B 103 -1.558 18.323 13.526 1.00 0.47 H new ATOM 94 P DC B 104 3.214 15.876 21.887 1.00 0.38 P ATOM 95 OP1 DC B 104 3.221 16.205 23.330 1.00 0.44 O ATOM 96 OP2 DC B 104 3.894 14.653 21.406 1.00 0.40 O ATOM 97 O5' DC B 104 1.681 15.837 21.384 1.00 0.32 O ATOM 98 C5' DC B 104 0.778 16.883 21.755 1.00 0.32 C ATOM 99 C4' DC B 104 -0.634 16.657 21.199 1.00 0.30 C ATOM 100 O4' DC B 104 -0.612 16.626 19.755 1.00 0.28 O ATOM 101 C3' DC B 104 -1.262 15.349 21.698 1.00 0.29 C ATOM 102 O3' DC B 104 -2.392 15.633 22.532 1.00 0.34 O ATOM 103 C2' DC B 104 -1.691 14.599 20.450 1.00 0.27 C ATOM 104 C1' DC B 104 -1.350 15.490 19.258 1.00 0.26 C ATOM 105 N1 DC B 104 -0.538 14.748 18.255 1.00 0.26 N ATOM 106 C2 DC B 104 -1.056 14.596 16.963 1.00 0.29 C ATOM 107 O2 DC B 104 -2.166 15.044 16.685 1.00 0.31 O ATOM 108 N3 DC B 104 -0.290 13.940 16.040 1.00 0.31 N ATOM 109 C4 DC B 104 0.928 13.452 16.358 1.00 0.32 C ATOM 110 N4 DC B 104 1.642 12.823 15.425 1.00 0.37 N ATOM 111 C5 DC B 104 1.465 13.601 17.682 1.00 0.29 C ATOM 112 C6 DC B 104 0.700 14.251 18.592 1.00 0.26 C ATOM 0 H5' DC B 104 1.161 17.837 21.392 1.00 0.32 H new ATOM 0 H5'' DC B 104 0.732 16.952 22.842 1.00 0.32 H new ATOM 0 H4' DC B 104 -1.238 17.491 21.557 1.00 0.30 H new ATOM 0 H3' DC B 104 -0.564 14.762 22.294 1.00 0.29 H new ATOM 0 H2' DC B 104 -1.174 13.642 20.377 1.00 0.27 H new ATOM 0 H2'' DC B 104 -2.759 14.383 20.477 1.00 0.27 H new ATOM 0 H1' DC B 104 -2.265 15.814 18.762 1.00 0.26 H new ATOM 0 H41 DC B 104 2.564 12.450 15.653 1.00 0.37 H new ATOM 0 H42 DC B 104 1.267 12.715 14.483 1.00 0.37 H new ATOM 0 H5 DC B 104 2.438 13.211 17.941 1.00 0.29 H new ATOM 0 H6 DC B 104 1.068 14.381 19.599 1.00 0.26 H new ATOM 124 P DG B 105 -3.325 14.451 23.104 1.00 0.37 P ATOM 125 OP1 DG B 105 -3.956 14.924 24.356 1.00 0.42 O ATOM 126 OP2 DG B 105 -2.536 13.200 23.103 1.00 0.37 O ATOM 127 O5' DG B 105 -4.472 14.328 21.977 1.00 0.37 O ATOM 128 C5' DG B 105 -5.453 15.359 21.820 1.00 0.38 C ATOM 129 C4' DG B 105 -6.503 14.990 20.765 1.00 0.38 C ATOM 130 O4' DG B 105 -5.853 14.552 19.551 1.00 0.33 O ATOM 131 C3' DG B 105 -7.435 13.866 21.242 1.00 0.41 C ATOM 132 O3' DG B 105 -8.806 14.275 21.159 1.00 0.44 O ATOM 133 C2' DG B 105 -7.170 12.697 20.316 1.00 0.36 C ATOM 134 C1' DG B 105 -6.215 13.191 19.238 1.00 0.32 C ATOM 135 N9 DG B 105 -5.020 12.334 19.190 1.00 0.31 N ATOM 136 C8 DG B 105 -4.140 12.045 20.190 1.00 0.33 C ATOM 137 N7 DG B 105 -3.182 11.230 19.867 1.00 0.33 N ATOM 138 C5 DG B 105 -3.443 10.948 18.532 1.00 0.32 C ATOM 139 C6 DG B 105 -2.741 10.108 17.611 1.00 0.34 C ATOM 140 O6 DG B 105 -1.731 9.441 17.819 1.00 0.36 O ATOM 141 N1 DG B 105 -3.344 10.094 16.342 1.00 0.34 N ATOM 142 C2 DG B 105 -4.487 10.805 15.995 1.00 0.33 C ATOM 143 N2 DG B 105 -4.921 10.668 14.744 1.00 0.35 N ATOM 144 N3 DG B 105 -5.146 11.599 16.863 1.00 0.31 N ATOM 145 C4 DG B 105 -4.572 11.623 18.105 1.00 0.31 C ATOM 0 H5' DG B 105 -4.961 16.288 21.533 1.00 0.38 H new ATOM 0 H5'' DG B 105 -5.946 15.541 22.775 1.00 0.38 H new ATOM 0 H4' DG B 105 -7.098 15.886 20.586 1.00 0.38 H new ATOM 0 H3' DG B 105 -7.249 13.605 22.284 1.00 0.41 H new ATOM 0 H2' DG B 105 -6.734 11.862 20.864 1.00 0.36 H new ATOM 0 H2'' DG B 105 -8.099 12.337 19.873 1.00 0.36 H new ATOM 0 H1' DG B 105 -6.693 13.151 18.259 1.00 0.32 H new ATOM 0 H8 DG B 105 -4.233 12.464 21.181 1.00 0.33 H new ATOM 0 H1 DG B 105 -2.910 9.518 15.620 1.00 0.34 H new ATOM 0 H21 DG B 105 -5.755 11.167 14.436 1.00 0.35 H new ATOM 0 H22 DG B 105 -4.419 10.064 14.093 1.00 0.35 H new ATOM 157 P DA B 106 -9.997 13.241 21.492 1.00 0.49 P ATOM 158 OP1 DA B 106 -11.251 14.012 21.648 1.00 0.56 O ATOM 159 OP2 DA B 106 -9.542 12.345 22.580 1.00 0.51 O ATOM 160 O5' DA B 106 -10.101 12.374 20.135 1.00 0.43 O ATOM 161 C5' DA B 106 -10.460 13.001 18.898 1.00 0.43 C ATOM 162 C4' DA B 106 -10.542 11.992 17.743 1.00 0.39 C ATOM 163 O4' DA B 106 -9.223 11.499 17.404 1.00 0.34 O ATOM 164 C3' DA B 106 -11.428 10.787 18.085 1.00 0.39 C ATOM 165 O3' DA B 106 -12.603 10.771 17.269 1.00 0.42 O ATOM 166 C2' DA B 106 -10.577 9.563 17.810 1.00 0.35 C ATOM 167 C1' DA B 106 -9.224 10.056 17.312 1.00 0.32 C ATOM 168 N9 DA B 106 -8.134 9.475 18.122 1.00 0.30 N ATOM 169 C8 DA B 106 -7.925 9.581 19.466 1.00 0.31 C ATOM 170 N7 DA B 106 -6.867 8.972 19.916 1.00 0.30 N ATOM 171 C5 DA B 106 -6.324 8.403 18.768 1.00 0.28 C ATOM 172 C6 DA B 106 -5.180 7.608 18.535 1.00 0.28 C ATOM 173 N6 DA B 106 -4.346 7.244 19.507 1.00 0.29 N ATOM 174 N1 DA B 106 -4.927 7.201 17.261 1.00 0.27 N ATOM 175 C2 DA B 106 -5.751 7.553 16.262 1.00 0.26 C ATOM 176 N3 DA B 106 -6.860 8.307 16.374 1.00 0.27 N ATOM 177 C4 DA B 106 -7.089 8.700 17.665 1.00 0.28 C ATOM 0 H5' DA B 106 -9.727 13.770 18.656 1.00 0.43 H new ATOM 0 H5'' DA B 106 -11.422 13.501 19.011 1.00 0.43 H new ATOM 0 H4' DA B 106 -10.982 12.525 16.900 1.00 0.39 H new ATOM 0 H3' DA B 106 -11.765 10.822 19.121 1.00 0.39 H new ATOM 0 H2' DA B 106 -10.460 8.965 18.714 1.00 0.35 H new ATOM 0 H2'' DA B 106 -11.051 8.924 17.065 1.00 0.35 H new ATOM 0 H1' DA B 106 -9.060 9.747 16.280 1.00 0.32 H new ATOM 0 H8 DA B 106 -8.592 10.133 20.112 1.00 0.31 H new ATOM 0 H61 DA B 106 -3.532 6.669 19.292 1.00 0.29 H new ATOM 0 H62 DA B 106 -4.521 7.540 20.467 1.00 0.29 H new ATOM 0 H2 DA B 106 -5.500 7.197 15.274 1.00 0.26 H new ATOM 189 P DT B 107 -13.640 9.541 17.354 1.00 0.44 P ATOM 190 OP1 DT B 107 -14.955 10.008 16.860 1.00 0.50 O ATOM 191 OP2 DT B 107 -13.528 8.931 18.697 1.00 0.46 O ATOM 192 O5' DT B 107 -13.034 8.507 16.277 1.00 0.39 O ATOM 193 C5' DT B 107 -12.780 8.939 14.939 1.00 0.39 C ATOM 194 C4' DT B 107 -11.974 7.909 14.142 1.00 0.36 C ATOM 195 O4' DT B 107 -10.640 7.781 14.686 1.00 0.34 O ATOM 196 C3' DT B 107 -12.624 6.519 14.156 1.00 0.35 C ATOM 197 O3' DT B 107 -13.093 6.166 12.853 1.00 0.37 O ATOM 198 C2' DT B 107 -11.528 5.564 14.589 1.00 0.32 C ATOM 199 C1' DT B 107 -10.254 6.393 14.734 1.00 0.31 C ATOM 200 N1 DT B 107 -9.538 6.073 16.007 1.00 0.29 N ATOM 201 C2 DT B 107 -8.231 5.589 15.913 1.00 0.29 C ATOM 202 O2 DT B 107 -7.667 5.428 14.833 1.00 0.32 O ATOM 203 N3 DT B 107 -7.605 5.302 17.118 1.00 0.28 N ATOM 204 C4 DT B 107 -8.156 5.450 18.388 1.00 0.28 C ATOM 205 O4 DT B 107 -7.501 5.162 19.387 1.00 0.30 O ATOM 206 C5 DT B 107 -9.517 5.953 18.398 1.00 0.29 C ATOM 207 C7 DT B 107 -10.238 6.128 19.737 1.00 0.33 C ATOM 208 C6 DT B 107 -10.154 6.247 17.233 1.00 0.29 C ATOM 0 H5' DT B 107 -12.238 9.884 14.961 1.00 0.39 H new ATOM 0 H5'' DT B 107 -13.727 9.127 14.434 1.00 0.39 H new ATOM 0 H4' DT B 107 -11.943 8.274 13.115 1.00 0.36 H new ATOM 0 H3' DT B 107 -13.484 6.488 14.824 1.00 0.35 H new ATOM 0 H2' DT B 107 -11.785 5.082 15.532 1.00 0.32 H new ATOM 0 H2'' DT B 107 -11.392 4.772 13.853 1.00 0.32 H new ATOM 0 H1' DT B 107 -9.558 6.163 13.927 1.00 0.31 H new ATOM 0 H3 DT B 107 -6.649 4.949 17.068 1.00 0.28 H new ATOM 0 H71 DT B 107 -9.865 5.392 20.450 1.00 0.33 H new ATOM 0 H72 DT B 107 -10.054 7.131 20.121 1.00 0.33 H new ATOM 0 H73 DT B 107 -11.309 5.985 19.595 1.00 0.33 H new ATOM 0 H6 DT B 107 -11.165 6.625 17.266 1.00 0.29 H new ATOM 221 P DA B 108 -13.829 4.755 12.605 1.00 0.39 P ATOM 222 OP1 DA B 108 -14.706 4.890 11.421 1.00 0.44 O ATOM 223 OP2 DA B 108 -14.395 4.295 13.893 1.00 0.39 O ATOM 224 O5' DA B 108 -12.605 3.784 12.218 1.00 0.38 O ATOM 225 C5' DA B 108 -11.766 4.086 11.100 1.00 0.40 C ATOM 226 C4' DA B 108 -10.608 3.090 10.982 1.00 0.41 C ATOM 227 O4' DA B 108 -9.722 3.214 12.118 1.00 0.39 O ATOM 228 C3' DA B 108 -11.099 1.638 10.910 1.00 0.42 C ATOM 229 O3' DA B 108 -10.702 1.033 9.677 1.00 0.46 O ATOM 230 C2' DA B 108 -10.457 0.929 12.085 1.00 0.40 C ATOM 231 C1' DA B 108 -9.541 1.939 12.768 1.00 0.38 C ATOM 232 N9 DA B 108 -9.854 2.037 14.208 1.00 0.34 N ATOM 233 C8 DA B 108 -11.040 2.356 14.814 1.00 0.33 C ATOM 234 N7 DA B 108 -11.012 2.367 16.115 1.00 0.31 N ATOM 235 C5 DA B 108 -9.694 2.025 16.403 1.00 0.31 C ATOM 236 C6 DA B 108 -8.981 1.854 17.611 1.00 0.30 C ATOM 237 N6 DA B 108 -9.542 2.017 18.809 1.00 0.31 N ATOM 238 N1 DA B 108 -7.666 1.507 17.536 1.00 0.31 N ATOM 239 C2 DA B 108 -7.077 1.335 16.341 1.00 0.32 C ATOM 240 N3 DA B 108 -7.661 1.473 15.141 1.00 0.34 N ATOM 241 C4 DA B 108 -8.979 1.821 15.246 1.00 0.32 C ATOM 0 H5' DA B 108 -11.369 5.096 11.204 1.00 0.40 H new ATOM 0 H5'' DA B 108 -12.357 4.068 10.185 1.00 0.40 H new ATOM 0 H4' DA B 108 -10.083 3.329 10.057 1.00 0.41 H new ATOM 0 H3' DA B 108 -12.187 1.579 10.953 1.00 0.42 H new ATOM 0 H2' DA B 108 -11.216 0.566 12.778 1.00 0.40 H new ATOM 0 H2'' DA B 108 -9.891 0.060 11.749 1.00 0.40 H new ATOM 0 H1' DA B 108 -8.502 1.620 12.683 1.00 0.38 H new ATOM 0 H8 DA B 108 -11.934 2.582 14.252 1.00 0.33 H new ATOM 0 H61 DA B 108 -8.987 1.883 19.654 1.00 0.31 H new ATOM 0 H62 DA B 108 -10.526 2.276 18.880 1.00 0.31 H new ATOM 0 H2 DA B 108 -6.033 1.059 16.347 1.00 0.32 H new ATOM 253 P DG B 109 -11.049 -0.510 9.372 1.00 0.48 P ATOM 254 OP1 DG B 109 -11.188 -0.673 7.907 1.00 0.55 O ATOM 255 OP2 DG B 109 -12.151 -0.923 10.268 1.00 0.48 O ATOM 256 O5' DG B 109 -9.708 -1.271 9.838 1.00 0.46 O ATOM 257 C5' DG B 109 -8.460 -1.006 9.191 1.00 0.49 C ATOM 258 C4' DG B 109 -7.331 -1.865 9.768 1.00 0.49 C ATOM 259 O4' DG B 109 -7.083 -1.506 11.146 1.00 0.46 O ATOM 260 C3' DG B 109 -7.656 -3.364 9.711 1.00 0.50 C ATOM 261 O3' DG B 109 -6.720 -4.051 8.876 1.00 0.56 O ATOM 262 C2' DG B 109 -7.561 -3.860 11.139 1.00 0.47 C ATOM 263 C1' DG B 109 -7.179 -2.663 12.004 1.00 0.44 C ATOM 264 N9 DG B 109 -8.183 -2.438 13.063 1.00 0.40 N ATOM 265 C8 DG B 109 -9.532 -2.248 12.945 1.00 0.39 C ATOM 266 N7 DG B 109 -10.167 -2.055 14.064 1.00 0.36 N ATOM 267 C5 DG B 109 -9.155 -2.123 15.018 1.00 0.34 C ATOM 268 C6 DG B 109 -9.215 -1.990 16.445 1.00 0.33 C ATOM 269 O6 DG B 109 -10.203 -1.780 17.145 1.00 0.34 O ATOM 270 N1 DG B 109 -7.951 -2.129 17.043 1.00 0.33 N ATOM 271 C2 DG B 109 -6.766 -2.366 16.357 1.00 0.36 C ATOM 272 N2 DG B 109 -5.659 -2.468 17.092 1.00 0.37 N ATOM 273 N3 DG B 109 -6.709 -2.491 15.014 1.00 0.38 N ATOM 274 C4 DG B 109 -7.932 -2.360 14.413 1.00 0.37 C ATOM 0 H5' DG B 109 -8.209 0.049 9.303 1.00 0.49 H new ATOM 0 H5'' DG B 109 -8.555 -1.200 8.123 1.00 0.49 H new ATOM 0 H4' DG B 109 -6.449 -1.675 9.156 1.00 0.49 H new ATOM 0 H3' DG B 109 -8.645 -3.544 9.289 1.00 0.50 H new ATOM 0 H2' DG B 109 -8.512 -4.283 11.464 1.00 0.47 H new ATOM 0 H2'' DG B 109 -6.815 -4.650 11.224 1.00 0.47 H new ATOM 0 H1' DG B 109 -6.224 -2.850 12.495 1.00 0.44 H new ATOM 0 H8 DG B 109 -10.035 -2.257 11.989 1.00 0.39 H new ATOM 0 H1 DG B 109 -7.899 -2.050 18.059 1.00 0.33 H new ATOM 0 H21 DG B 109 -4.761 -2.642 16.640 1.00 0.37 H new ATOM 0 H22 DG B 109 -5.710 -2.372 18.106 1.00 0.37 H new ATOM 286 P DA B 110 -6.822 -5.645 8.671 1.00 0.59 P ATOM 287 OP1 DA B 110 -6.053 -6.006 7.459 1.00 0.67 O ATOM 288 OP2 DA B 110 -8.245 -6.036 8.786 1.00 0.58 O ATOM 289 O5' DA B 110 -6.037 -6.216 9.956 1.00 0.56 O ATOM 290 C5' DA B 110 -4.631 -6.000 10.103 1.00 0.58 C ATOM 291 C4' DA B 110 -4.081 -6.700 11.350 1.00 0.56 C ATOM 292 O4' DA B 110 -4.669 -6.133 12.541 1.00 0.50 O ATOM 293 C3' DA B 110 -4.370 -8.208 11.341 1.00 0.59 C ATOM 294 O3' DA B 110 -3.150 -8.954 11.361 1.00 0.64 O ATOM 295 C2' DA B 110 -5.181 -8.479 12.591 1.00 0.55 C ATOM 296 C1' DA B 110 -5.341 -7.147 13.316 1.00 0.49 C ATOM 297 N9 DA B 110 -6.769 -6.808 13.478 1.00 0.46 N ATOM 298 C8 DA B 110 -7.750 -6.724 12.528 1.00 0.48 C ATOM 299 N7 DA B 110 -8.925 -6.382 12.972 1.00 0.47 N ATOM 300 C5 DA B 110 -8.708 -6.224 14.338 1.00 0.44 C ATOM 301 C6 DA B 110 -9.549 -5.863 15.416 1.00 0.44 C ATOM 302 N6 DA B 110 -10.843 -5.583 15.261 1.00 0.49 N ATOM 303 N1 DA B 110 -9.002 -5.802 16.662 1.00 0.42 N ATOM 304 C2 DA B 110 -7.700 -6.080 16.846 1.00 0.40 C ATOM 305 N3 DA B 110 -6.821 -6.429 15.896 1.00 0.41 N ATOM 306 C4 DA B 110 -7.396 -6.483 14.658 1.00 0.43 C ATOM 0 H5' DA B 110 -4.431 -4.930 10.167 1.00 0.58 H new ATOM 0 H5'' DA B 110 -4.111 -6.369 9.219 1.00 0.58 H new ATOM 0 H4' DA B 110 -3.001 -6.550 11.344 1.00 0.56 H new ATOM 0 H3' DA B 110 -4.908 -8.508 10.442 1.00 0.59 H new ATOM 0 H2' DA B 110 -6.154 -8.899 12.336 1.00 0.55 H new ATOM 0 H2'' DA B 110 -4.677 -9.206 13.227 1.00 0.55 H new ATOM 0 H1' DA B 110 -4.904 -7.212 14.312 1.00 0.49 H new ATOM 0 H8 DA B 110 -7.563 -6.927 11.484 1.00 0.48 H new ATOM 0 H61 DA B 110 -11.410 -5.327 16.069 1.00 0.49 H new ATOM 0 H62 DA B 110 -11.266 -5.625 14.334 1.00 0.49 H new ATOM 0 H2 DA B 110 -7.326 -6.016 17.857 1.00 0.40 H new ATOM 318 P DG B 111 -3.175 -10.564 11.363 1.00 0.71 P ATOM 319 OP1 DG B 111 -1.849 -11.049 10.921 1.00 0.78 O ATOM 320 OP2 DG B 111 -4.397 -11.009 10.656 1.00 0.73 O ATOM 321 O5' DG B 111 -3.344 -10.911 12.927 1.00 0.70 O ATOM 322 C5' DG B 111 -2.302 -10.599 13.856 1.00 0.71 C ATOM 323 C4' DG B 111 -2.625 -11.119 15.261 1.00 0.74 C ATOM 324 O4' DG B 111 -3.762 -10.413 15.806 1.00 0.67 O ATOM 325 C3' DG B 111 -2.943 -12.620 15.264 1.00 0.84 C ATOM 326 O3' DG B 111 -1.998 -13.333 16.067 1.00 0.95 O ATOM 327 C2' DG B 111 -4.336 -12.745 15.845 1.00 0.84 C ATOM 328 C1' DG B 111 -4.795 -11.336 16.208 1.00 0.71 C ATOM 329 N9 DG B 111 -6.070 -11.011 15.537 1.00 0.67 N ATOM 330 C8 DG B 111 -6.368 -11.019 14.202 1.00 0.69 C ATOM 331 N7 DG B 111 -7.584 -10.667 13.902 1.00 0.70 N ATOM 332 C5 DG B 111 -8.153 -10.399 15.144 1.00 0.66 C ATOM 333 C6 DG B 111 -9.477 -9.966 15.485 1.00 0.68 C ATOM 334 O6 DG B 111 -10.416 -9.732 14.727 1.00 0.74 O ATOM 335 N1 DG B 111 -9.645 -9.813 16.872 1.00 0.65 N ATOM 336 C2 DG B 111 -8.659 -10.047 17.824 1.00 0.63 C ATOM 337 N2 DG B 111 -8.998 -9.848 19.097 1.00 0.64 N ATOM 338 N3 DG B 111 -7.413 -10.453 17.504 1.00 0.64 N ATOM 339 C4 DG B 111 -7.230 -10.609 16.156 1.00 0.64 C ATOM 0 H5' DG B 111 -2.157 -9.519 13.891 1.00 0.71 H new ATOM 0 H5'' DG B 111 -1.364 -11.036 13.512 1.00 0.71 H new ATOM 0 H4' DG B 111 -1.737 -10.949 15.870 1.00 0.74 H new ATOM 0 H3' DG B 111 -2.888 -13.043 14.261 1.00 0.84 H new ATOM 0 H2' DG B 111 -5.016 -13.198 15.123 1.00 0.84 H new ATOM 0 H2'' DG B 111 -4.331 -13.388 16.725 1.00 0.84 H new ATOM 0 H1' DG B 111 -4.965 -11.266 17.282 1.00 0.71 H new ATOM 0 H8 DG B 111 -5.645 -11.298 13.450 1.00 0.69 H new ATOM 0 H1 DG B 111 -10.559 -9.507 17.205 1.00 0.65 H new ATOM 0 H21 DG B 111 -8.314 -10.004 19.837 1.00 0.64 H new ATOM 0 H22 DG B 111 -9.942 -9.539 19.331 1.00 0.64 H new ATOM 351 P DA B 112 -2.101 -14.932 16.226 1.00 1.10 P ATOM 352 OP1 DA B 112 -0.806 -15.430 16.743 1.00 1.20 O ATOM 353 OP2 DA B 112 -2.658 -15.488 14.973 1.00 1.12 O ATOM 354 O5' DA B 112 -3.206 -15.101 17.387 1.00 1.14 O ATOM 355 C5' DA B 112 -2.933 -14.656 18.719 1.00 1.15 C ATOM 356 C4' DA B 112 -4.028 -15.096 19.697 1.00 1.22 C ATOM 357 O4' DA B 112 -5.247 -14.359 19.451 1.00 1.10 O ATOM 358 C3' DA B 112 -4.341 -16.594 19.583 1.00 1.38 C ATOM 359 O3' DA B 112 -4.065 -17.261 20.820 1.00 1.51 O ATOM 360 C2' DA B 112 -5.815 -16.682 19.244 1.00 1.38 C ATOM 361 C1' DA B 112 -6.350 -15.256 19.203 1.00 1.20 C ATOM 362 N9 DA B 112 -6.967 -14.965 17.894 1.00 1.13 N ATOM 363 C8 DA B 112 -6.417 -15.053 16.645 1.00 1.13 C ATOM 364 N7 DA B 112 -7.194 -14.681 15.669 1.00 1.11 N ATOM 365 C5 DA B 112 -8.367 -14.317 16.326 1.00 1.08 C ATOM 366 C6 DA B 112 -9.615 -13.824 15.879 1.00 1.08 C ATOM 367 N6 DA B 112 -9.887 -13.605 14.592 1.00 1.13 N ATOM 368 N1 DA B 112 -10.575 -13.567 16.812 1.00 1.07 N ATOM 369 C2 DA B 112 -10.328 -13.780 18.116 1.00 1.07 C ATOM 370 N3 DA B 112 -9.182 -14.240 18.641 1.00 1.09 N ATOM 371 C4 DA B 112 -8.240 -14.489 17.684 1.00 1.09 C ATOM 0 H5' DA B 112 -2.850 -13.569 18.730 1.00 1.15 H new ATOM 0 H5'' DA B 112 -1.972 -15.053 19.046 1.00 1.15 H new ATOM 0 H4' DA B 112 -3.650 -14.893 20.699 1.00 1.22 H new ATOM 0 H3' DA B 112 -3.727 -17.076 18.822 1.00 1.38 H new ATOM 0 H2' DA B 112 -5.961 -17.176 18.283 1.00 1.38 H new ATOM 0 H2'' DA B 112 -6.347 -17.272 19.990 1.00 1.38 H new ATOM 0 H1' DA B 112 -7.120 -15.126 19.963 1.00 1.20 H new ATOM 0 H8 DA B 112 -5.410 -15.406 16.480 1.00 1.13 H new ATOM 0 H61 DA B 112 -10.802 -13.248 14.318 1.00 1.13 H new ATOM 0 H62 DA B 112 -9.180 -13.794 13.882 1.00 1.13 H new ATOM 0 H2 DA B 112 -11.128 -13.560 18.807 1.00 1.07 H new ATOM 383 P DC B 113 -4.404 -18.825 21.003 1.00 1.71 P ATOM 384 OP1 DC B 113 -3.764 -19.294 22.253 1.00 1.84 O ATOM 385 OP2 DC B 113 -4.119 -19.514 19.725 1.00 1.74 O ATOM 386 O5' DC B 113 -5.999 -18.816 21.227 1.00 1.76 O ATOM 387 C5' DC B 113 -6.556 -18.304 22.440 1.00 1.76 C ATOM 388 C4' DC B 113 -8.078 -18.479 22.488 1.00 1.82 C ATOM 389 O4' DC B 113 -8.707 -17.715 21.435 1.00 1.69 O ATOM 390 C3' DC B 113 -8.502 -19.946 22.332 1.00 2.00 C ATOM 391 O3' DC B 113 -9.116 -20.423 23.532 1.00 2.15 O ATOM 392 C2' DC B 113 -9.493 -19.965 21.185 1.00 1.98 C ATOM 393 C1' DC B 113 -9.690 -18.515 20.747 1.00 1.79 C ATOM 394 N1 DC B 113 -9.540 -18.376 19.270 1.00 1.73 N ATOM 395 C2 DC B 113 -10.635 -17.896 18.543 1.00 1.70 C ATOM 396 O2 DC B 113 -11.682 -17.615 19.120 1.00 1.70 O ATOM 397 N3 DC B 113 -10.494 -17.757 17.190 1.00 1.68 N ATOM 398 C4 DC B 113 -9.338 -18.070 16.568 1.00 1.69 C ATOM 399 N4 DC B 113 -9.246 -17.918 15.247 1.00 1.69 N ATOM 400 C5 DC B 113 -8.208 -18.565 17.307 1.00 1.71 C ATOM 401 C6 DC B 113 -8.355 -18.700 18.647 1.00 1.74 C ATOM 0 H5' DC B 113 -6.309 -17.247 22.535 1.00 1.76 H new ATOM 0 H5'' DC B 113 -6.105 -18.815 23.291 1.00 1.76 H new ATOM 0 H4' DC B 113 -8.398 -18.123 23.467 1.00 1.82 H new ATOM 0 H3' DC B 113 -7.646 -20.592 22.137 1.00 2.00 H new ATOM 0 H2' DC B 113 -9.118 -20.570 20.360 1.00 1.98 H new ATOM 0 H2'' DC B 113 -10.439 -20.406 21.499 1.00 1.98 H new ATOM 0 HO3' DC B 113 -9.381 -21.359 23.414 1.00 2.15 H new ATOM 0 H1' DC B 113 -10.697 -18.182 20.998 1.00 1.79 H new ATOM 0 H41 DC B 113 -8.377 -18.151 14.766 1.00 1.69 H new ATOM 0 H42 DC B 113 -10.044 -17.568 14.717 1.00 1.69 H new ATOM 0 H5 DC B 113 -7.281 -18.819 16.814 1.00 1.71 H new ATOM 0 H6 DC B 113 -7.529 -19.068 19.237 1.00 1.74 H new TER 414 DC B 113 ATOM 415 O5' DG C 114 -17.742 -15.509 11.018 1.00 2.07 O ATOM 416 C5' DG C 114 -19.051 -15.799 11.518 1.00 2.14 C ATOM 417 C4' DG C 114 -19.239 -15.267 12.942 1.00 1.99 C ATOM 418 O4' DG C 114 -18.324 -15.930 13.840 1.00 1.94 O ATOM 419 C3' DG C 114 -18.979 -13.757 13.030 1.00 1.83 C ATOM 420 O3' DG C 114 -20.059 -13.099 13.701 1.00 1.77 O ATOM 421 C2' DG C 114 -17.693 -13.615 13.816 1.00 1.67 C ATOM 422 C1' DG C 114 -17.345 -15.000 14.348 1.00 1.75 C ATOM 423 N9 DG C 114 -15.987 -15.400 13.926 1.00 1.74 N ATOM 424 C8 DG C 114 -15.440 -15.414 12.671 1.00 1.79 C ATOM 425 N7 DG C 114 -14.208 -15.828 12.606 1.00 1.77 N ATOM 426 C5 DG C 114 -13.902 -16.118 13.933 1.00 1.71 C ATOM 427 C6 DG C 114 -12.691 -16.616 14.520 1.00 1.69 C ATOM 428 O6 DG C 114 -11.637 -16.900 13.955 1.00 1.71 O ATOM 429 N1 DG C 114 -12.802 -16.772 15.912 1.00 1.66 N ATOM 430 C2 DG C 114 -13.940 -16.483 16.658 1.00 1.65 C ATOM 431 N2 DG C 114 -13.865 -16.691 17.971 1.00 1.65 N ATOM 432 N3 DG C 114 -15.077 -16.015 16.106 1.00 1.66 N ATOM 433 C4 DG C 114 -14.989 -15.857 14.751 1.00 1.70 C ATOM 0 H5' DG C 114 -19.216 -16.876 11.506 1.00 2.14 H new ATOM 0 H5'' DG C 114 -19.799 -15.355 10.861 1.00 2.14 H new ATOM 0 H4' DG C 114 -20.274 -15.465 13.222 1.00 1.99 H new ATOM 0 H3' DG C 114 -18.900 -13.301 12.043 1.00 1.83 H new ATOM 0 H2' DG C 114 -16.893 -13.232 13.182 1.00 1.67 H new ATOM 0 H2'' DG C 114 -17.817 -12.907 14.635 1.00 1.67 H new ATOM 0 HO5' DG C 114 -17.083 -16.063 11.486 1.00 2.07 H new ATOM 0 H1' DG C 114 -17.359 -14.993 15.438 1.00 1.75 H new ATOM 0 H8 DG C 114 -15.992 -15.103 11.796 1.00 1.79 H new ATOM 0 H1 DG C 114 -11.986 -17.124 16.413 1.00 1.66 H new ATOM 0 H21 DG C 114 -14.671 -16.496 18.565 1.00 1.65 H new ATOM 0 H22 DG C 114 -13.002 -17.046 18.383 1.00 1.65 H new ATOM 446 P DT C 115 -20.011 -11.512 13.978 1.00 1.64 P ATOM 447 OP1 DT C 115 -21.397 -11.038 14.191 1.00 1.69 O ATOM 448 OP2 DT C 115 -19.168 -10.884 12.937 1.00 1.65 O ATOM 449 O5' DT C 115 -19.227 -11.424 15.384 1.00 1.46 O ATOM 450 C5' DT C 115 -19.730 -12.112 16.533 1.00 1.45 C ATOM 451 C4' DT C 115 -18.874 -11.855 17.778 1.00 1.30 C ATOM 452 O4' DT C 115 -17.618 -12.565 17.678 1.00 1.30 O ATOM 453 C3' DT C 115 -18.566 -10.365 17.981 1.00 1.16 C ATOM 454 O3' DT C 115 -19.205 -9.871 19.163 1.00 1.11 O ATOM 455 C2' DT C 115 -17.060 -10.276 18.126 1.00 1.05 C ATOM 456 C1' DT C 115 -16.513 -11.697 18.007 1.00 1.13 C ATOM 457 N1 DT C 115 -15.446 -11.786 16.966 1.00 1.12 N ATOM 458 C2 DT C 115 -14.205 -12.302 17.347 1.00 1.09 C ATOM 459 O2 DT C 115 -13.968 -12.657 18.499 1.00 1.07 O ATOM 460 N3 DT C 115 -13.253 -12.391 16.341 1.00 1.10 N ATOM 461 C4 DT C 115 -13.422 -12.013 15.012 1.00 1.15 C ATOM 462 O4 DT C 115 -12.502 -12.142 14.207 1.00 1.17 O ATOM 463 C5 DT C 115 -14.736 -11.479 14.700 1.00 1.19 C ATOM 464 C7 DT C 115 -15.020 -10.983 13.278 1.00 1.28 C ATOM 465 C6 DT C 115 -15.691 -11.387 15.665 1.00 1.18 C ATOM 0 H5' DT C 115 -19.761 -13.182 16.329 1.00 1.45 H new ATOM 0 H5'' DT C 115 -20.755 -11.794 16.726 1.00 1.45 H new ATOM 0 H4' DT C 115 -19.454 -12.210 18.630 1.00 1.30 H new ATOM 0 H3' DT C 115 -18.932 -9.766 17.147 1.00 1.16 H new ATOM 0 H2' DT C 115 -16.636 -9.634 17.354 1.00 1.05 H new ATOM 0 H2'' DT C 115 -16.791 -9.839 19.087 1.00 1.05 H new ATOM 0 H1' DT C 115 -16.057 -11.997 18.951 1.00 1.13 H new ATOM 0 H3 DT C 115 -12.342 -12.770 16.600 1.00 1.10 H new ATOM 0 H71 DT C 115 -16.077 -11.121 13.049 1.00 1.28 H new ATOM 0 H72 DT C 115 -14.768 -9.925 13.205 1.00 1.28 H new ATOM 0 H73 DT C 115 -14.418 -11.550 12.568 1.00 1.28 H new ATOM 0 H6 DT C 115 -16.663 -10.993 15.409 1.00 1.18 H new ATOM 478 P DC C 116 -18.955 -8.358 19.659 1.00 1.02 P ATOM 479 OP1 DC C 116 -20.016 -8.008 20.631 1.00 1.09 O ATOM 480 OP2 DC C 116 -18.739 -7.510 18.466 1.00 1.04 O ATOM 481 O5' DC C 116 -17.558 -8.473 20.456 1.00 0.90 O ATOM 482 C5' DC C 116 -17.469 -9.246 21.657 1.00 0.93 C ATOM 483 C4' DC C 116 -16.088 -9.125 22.314 1.00 0.82 C ATOM 484 O4' DC C 116 -15.072 -9.709 21.466 1.00 0.78 O ATOM 485 C3' DC C 116 -15.700 -7.666 22.592 1.00 0.74 C ATOM 486 O3' DC C 116 -15.520 -7.455 23.997 1.00 0.80 O ATOM 487 C2' DC C 116 -14.400 -7.440 21.845 1.00 0.60 C ATOM 488 C1' DC C 116 -13.982 -8.785 21.261 1.00 0.65 C ATOM 489 N1 DC C 116 -13.664 -8.671 19.808 1.00 0.65 N ATOM 490 C2 DC C 116 -12.383 -9.046 19.383 1.00 0.66 C ATOM 491 O2 DC C 116 -11.548 -9.432 20.198 1.00 0.67 O ATOM 492 N3 DC C 116 -12.104 -8.968 18.046 1.00 0.70 N ATOM 493 C4 DC C 116 -13.029 -8.543 17.160 1.00 0.72 C ATOM 494 N4 DC C 116 -12.714 -8.488 15.866 1.00 0.78 N ATOM 495 C5 DC C 116 -14.344 -8.153 17.587 1.00 0.72 C ATOM 496 C6 DC C 116 -14.614 -8.233 18.912 1.00 0.70 C ATOM 0 H5' DC C 116 -17.673 -10.293 21.431 1.00 0.93 H new ATOM 0 H5'' DC C 116 -18.235 -8.916 22.359 1.00 0.93 H new ATOM 0 H4' DC C 116 -16.151 -9.658 23.263 1.00 0.82 H new ATOM 0 H3' DC C 116 -16.475 -6.972 22.266 1.00 0.74 H new ATOM 0 H2' DC C 116 -14.533 -6.701 21.055 1.00 0.60 H new ATOM 0 H2'' DC C 116 -13.632 -7.055 22.516 1.00 0.60 H new ATOM 0 H1' DC C 116 -13.078 -9.138 21.758 1.00 0.65 H new ATOM 0 H41 DC C 116 -13.404 -8.169 15.186 1.00 0.78 H new ATOM 0 H42 DC C 116 -11.783 -8.765 15.556 1.00 0.78 H new ATOM 0 H5 DC C 116 -15.086 -7.810 16.881 1.00 0.72 H new ATOM 0 H6 DC C 116 -15.592 -7.948 19.272 1.00 0.70 H new ATOM 508 P DT C 117 -15.017 -6.031 24.563 1.00 0.73 P ATOM 509 OP1 DT C 117 -15.305 -5.983 26.014 1.00 1.31 O ATOM 510 OP2 DT C 117 -15.535 -4.969 23.672 1.00 1.29 O ATOM 511 O5' DT C 117 -13.419 -6.119 24.368 1.00 0.57 O ATOM 512 C5' DT C 117 -12.662 -7.123 25.051 1.00 0.61 C ATOM 513 C4' DT C 117 -11.155 -6.969 24.812 1.00 0.51 C ATOM 514 O4' DT C 117 -10.831 -7.274 23.437 1.00 0.47 O ATOM 515 C3' DT C 117 -10.656 -5.550 25.118 1.00 0.44 C ATOM 516 O3' DT C 117 -9.770 -5.556 26.242 1.00 0.47 O ATOM 517 C2' DT C 117 -9.922 -5.098 23.872 1.00 0.34 C ATOM 518 C1' DT C 117 -9.995 -6.244 22.867 1.00 0.38 C ATOM 519 N1 DT C 117 -10.551 -5.779 21.564 1.00 0.39 N ATOM 520 C2 DT C 117 -9.764 -5.935 20.422 1.00 0.43 C ATOM 521 O2 DT C 117 -8.639 -6.428 20.462 1.00 0.45 O ATOM 522 N3 DT C 117 -10.333 -5.498 19.234 1.00 0.48 N ATOM 523 C4 DT C 117 -11.594 -4.927 19.086 1.00 0.48 C ATOM 524 O4 DT C 117 -11.993 -4.579 17.976 1.00 0.55 O ATOM 525 C5 DT C 117 -12.344 -4.798 20.322 1.00 0.44 C ATOM 526 C7 DT C 117 -13.733 -4.157 20.290 1.00 0.48 C ATOM 527 C6 DT C 117 -11.812 -5.220 21.499 1.00 0.40 C ATOM 0 H5' DT C 117 -12.983 -8.109 24.716 1.00 0.61 H new ATOM 0 H5'' DT C 117 -12.867 -7.067 26.120 1.00 0.61 H new ATOM 0 H4' DT C 117 -10.662 -7.666 25.490 1.00 0.51 H new ATOM 0 H3' DT C 117 -11.480 -4.882 25.368 1.00 0.44 H new ATOM 0 H2' DT C 117 -10.378 -4.197 23.462 1.00 0.34 H new ATOM 0 H2'' DT C 117 -8.885 -4.854 24.103 1.00 0.34 H new ATOM 0 H1' DT C 117 -8.995 -6.630 22.669 1.00 0.38 H new ATOM 0 H3 DT C 117 -9.773 -5.606 18.388 1.00 0.48 H new ATOM 0 H71 DT C 117 -14.349 -4.584 21.081 1.00 0.48 H new ATOM 0 H72 DT C 117 -13.641 -3.082 20.442 1.00 0.48 H new ATOM 0 H73 DT C 117 -14.200 -4.348 19.324 1.00 0.48 H new ATOM 0 H6 DT C 117 -12.389 -5.116 22.406 1.00 0.40 H new ATOM 540 P DC C 118 -9.026 -4.204 26.707 1.00 0.47 P ATOM 541 OP1 DC C 118 -8.473 -4.422 28.062 1.00 0.56 O ATOM 542 OP2 DC C 118 -9.937 -3.065 26.456 1.00 0.49 O ATOM 543 O5' DC C 118 -7.795 -4.102 25.670 1.00 0.37 O ATOM 544 C5' DC C 118 -6.698 -5.017 25.753 1.00 0.38 C ATOM 545 C4' DC C 118 -5.599 -4.680 24.738 1.00 0.32 C ATOM 546 O4' DC C 118 -6.125 -4.723 23.392 1.00 0.29 O ATOM 547 C3' DC C 118 -4.997 -3.286 24.972 1.00 0.31 C ATOM 548 O3' DC C 118 -3.605 -3.382 25.295 1.00 0.34 O ATOM 549 C2' DC C 118 -5.192 -2.536 23.668 1.00 0.27 C ATOM 550 C1' DC C 118 -5.746 -3.539 22.661 1.00 0.26 C ATOM 551 N1 DC C 118 -6.916 -2.973 21.929 1.00 0.25 N ATOM 552 C2 DC C 118 -6.813 -2.815 20.541 1.00 0.27 C ATOM 553 O2 DC C 118 -5.778 -3.128 19.957 1.00 0.30 O ATOM 554 N3 DC C 118 -7.893 -2.305 19.874 1.00 0.27 N ATOM 555 C4 DC C 118 -9.024 -1.963 20.526 1.00 0.25 C ATOM 556 N4 DC C 118 -10.054 -1.475 19.834 1.00 0.27 N ATOM 557 C5 DC C 118 -9.136 -2.119 21.949 1.00 0.25 C ATOM 558 C6 DC C 118 -8.065 -2.626 22.605 1.00 0.25 C ATOM 0 H5' DC C 118 -7.056 -6.031 25.578 1.00 0.38 H new ATOM 0 H5'' DC C 118 -6.282 -4.996 26.760 1.00 0.38 H new ATOM 0 H4' DC C 118 -4.817 -5.427 24.871 1.00 0.32 H new ATOM 0 H3' DC C 118 -5.477 -2.776 25.807 1.00 0.31 H new ATOM 0 H2' DC C 118 -5.881 -1.702 23.801 1.00 0.27 H new ATOM 0 H2'' DC C 118 -4.248 -2.118 23.318 1.00 0.27 H new ATOM 0 H1' DC C 118 -4.990 -3.778 21.913 1.00 0.26 H new ATOM 0 H41 DC C 118 -10.914 -1.213 20.316 1.00 0.27 H new ATOM 0 H42 DC C 118 -9.982 -1.364 18.823 1.00 0.27 H new ATOM 0 H5 DC C 118 -10.038 -1.843 22.475 1.00 0.25 H new ATOM 0 H6 DC C 118 -8.113 -2.760 23.676 1.00 0.25 H new ATOM 570 P DT C 119 -2.720 -2.053 25.524 1.00 0.35 P ATOM 571 OP1 DT C 119 -1.480 -2.440 26.233 1.00 0.41 O ATOM 572 OP2 DT C 119 -3.595 -1.003 26.089 1.00 0.38 O ATOM 573 O5' DT C 119 -2.327 -1.627 24.020 1.00 0.31 O ATOM 574 C5' DT C 119 -1.459 -2.455 23.244 1.00 0.33 C ATOM 575 C4' DT C 119 -1.145 -1.842 21.875 1.00 0.31 C ATOM 576 O4' DT C 119 -2.356 -1.709 21.097 1.00 0.29 O ATOM 577 C3' DT C 119 -0.497 -0.455 21.987 1.00 0.29 C ATOM 578 O3' DT C 119 0.857 -0.492 21.523 1.00 0.30 O ATOM 579 C2' DT C 119 -1.329 0.456 21.103 1.00 0.28 C ATOM 580 C1' DT C 119 -2.413 -0.413 20.469 1.00 0.28 C ATOM 581 N1 DT C 119 -3.763 0.199 20.640 1.00 0.26 N ATOM 582 C2 DT C 119 -4.501 0.479 19.487 1.00 0.26 C ATOM 583 O2 DT C 119 -4.072 0.243 18.360 1.00 0.28 O ATOM 584 N3 DT C 119 -5.753 1.040 19.693 1.00 0.26 N ATOM 585 C4 DT C 119 -6.326 1.343 20.925 1.00 0.26 C ATOM 586 O4 DT C 119 -7.450 1.838 20.983 1.00 0.26 O ATOM 587 C5 DT C 119 -5.494 1.023 22.073 1.00 0.26 C ATOM 588 C7 DT C 119 -6.021 1.324 23.480 1.00 0.27 C ATOM 589 C6 DT C 119 -4.261 0.472 21.900 1.00 0.26 C ATOM 0 H5' DT C 119 -1.921 -3.433 23.105 1.00 0.33 H new ATOM 0 H5'' DT C 119 -0.529 -2.616 23.790 1.00 0.33 H new ATOM 0 H4' DT C 119 -0.441 -2.518 21.389 1.00 0.31 H new ATOM 0 H3' DT C 119 -0.471 -0.108 23.020 1.00 0.29 H new ATOM 0 H2' DT C 119 -1.773 1.262 21.688 1.00 0.28 H new ATOM 0 H2'' DT C 119 -0.710 0.922 20.336 1.00 0.28 H new ATOM 0 H1' DT C 119 -2.240 -0.502 19.396 1.00 0.28 H new ATOM 0 H3 DT C 119 -6.306 1.251 18.863 1.00 0.26 H new ATOM 0 H71 DT C 119 -5.604 0.606 24.186 1.00 0.27 H new ATOM 0 H72 DT C 119 -5.726 2.332 23.771 1.00 0.27 H new ATOM 0 H73 DT C 119 -7.108 1.248 23.485 1.00 0.27 H new ATOM 0 H6 DT C 119 -3.659 0.243 22.767 1.00 0.26 H new ATOM 602 P DA C 120 1.733 0.857 21.434 1.00 0.30 P ATOM 603 OP1 DA C 120 3.147 0.511 21.699 1.00 0.33 O ATOM 604 OP2 DA C 120 1.063 1.900 22.243 1.00 0.31 O ATOM 605 O5' DA C 120 1.594 1.258 19.880 1.00 0.29 O ATOM 606 C5' DA C 120 1.789 0.273 18.861 1.00 0.30 C ATOM 607 C4' DA C 120 1.546 0.844 17.460 1.00 0.29 C ATOM 608 O4' DA C 120 0.126 0.993 17.221 1.00 0.29 O ATOM 609 C3' DA C 120 2.208 2.215 17.271 1.00 0.29 C ATOM 610 O3' DA C 120 3.266 2.145 16.311 1.00 0.30 O ATOM 611 C2' DA C 120 1.112 3.130 16.772 1.00 0.28 C ATOM 612 C1' DA C 120 -0.195 2.354 16.862 1.00 0.28 C ATOM 613 N9 DA C 120 -1.082 2.962 17.872 1.00 0.27 N ATOM 614 C8 DA C 120 -0.810 3.265 19.176 1.00 0.27 C ATOM 615 N7 DA C 120 -1.800 3.780 19.844 1.00 0.26 N ATOM 616 C5 DA C 120 -2.822 3.829 18.902 1.00 0.26 C ATOM 617 C6 DA C 120 -4.163 4.276 18.951 1.00 0.26 C ATOM 618 N6 DA C 120 -4.721 4.771 20.056 1.00 0.27 N ATOM 619 N1 DA C 120 -4.911 4.185 17.816 1.00 0.26 N ATOM 620 C2 DA C 120 -4.377 3.683 16.691 1.00 0.26 C ATOM 621 N3 DA C 120 -3.122 3.231 16.539 1.00 0.26 N ATOM 622 C4 DA C 120 -2.395 3.334 17.692 1.00 0.26 C ATOM 0 H5' DA C 120 1.115 -0.566 19.033 1.00 0.30 H new ATOM 0 H5'' DA C 120 2.805 -0.117 18.923 1.00 0.30 H new ATOM 0 H4' DA C 120 1.987 0.140 16.754 1.00 0.29 H new ATOM 0 H3' DA C 120 2.649 2.573 18.201 1.00 0.29 H new ATOM 0 H2' DA C 120 1.064 4.037 17.374 1.00 0.28 H new ATOM 0 H2'' DA C 120 1.306 3.439 15.745 1.00 0.28 H new ATOM 0 H1' DA C 120 -0.719 2.377 15.907 1.00 0.28 H new ATOM 0 H8 DA C 120 0.158 3.089 19.621 1.00 0.27 H new ATOM 0 H61 DA C 120 -5.693 5.081 20.042 1.00 0.27 H new ATOM 0 H62 DA C 120 -4.176 4.840 20.916 1.00 0.27 H new ATOM 0 H2 DA C 120 -5.020 3.638 15.824 1.00 0.26 H new ATOM 634 P DT C 121 4.065 3.477 15.881 1.00 0.31 P ATOM 635 OP1 DT C 121 5.367 3.071 15.306 1.00 0.34 O ATOM 636 OP2 DT C 121 4.022 4.429 17.013 1.00 0.32 O ATOM 637 O5' DT C 121 3.153 4.067 14.693 1.00 0.31 O ATOM 638 C5' DT C 121 2.913 3.292 13.517 1.00 0.32 C ATOM 639 C4' DT C 121 1.771 3.869 12.678 1.00 0.33 C ATOM 640 O4' DT C 121 0.543 3.865 13.449 1.00 0.31 O ATOM 641 C3' DT C 121 2.045 5.323 12.239 1.00 0.33 C ATOM 642 O3' DT C 121 2.217 5.429 10.821 1.00 0.37 O ATOM 643 C2' DT C 121 0.826 6.118 12.674 1.00 0.30 C ATOM 644 C1' DT C 121 -0.132 5.138 13.344 1.00 0.30 C ATOM 645 N1 DT C 121 -0.562 5.646 14.685 1.00 0.28 N ATOM 646 C2 DT C 121 -1.930 5.827 14.901 1.00 0.28 C ATOM 647 O2 DT C 121 -2.769 5.573 14.040 1.00 0.29 O ATOM 648 N3 DT C 121 -2.285 6.317 16.149 1.00 0.28 N ATOM 649 C4 DT C 121 -1.414 6.638 17.188 1.00 0.27 C ATOM 650 O4 DT C 121 -1.851 7.051 18.260 1.00 0.28 O ATOM 651 C5 DT C 121 -0.010 6.428 16.883 1.00 0.27 C ATOM 652 C7 DT C 121 1.047 6.799 17.932 1.00 0.28 C ATOM 653 C6 DT C 121 0.368 5.945 15.668 1.00 0.28 C ATOM 0 H5' DT C 121 2.674 2.267 13.800 1.00 0.32 H new ATOM 0 H5'' DT C 121 3.822 3.253 12.916 1.00 0.32 H new ATOM 0 H4' DT C 121 1.685 3.242 11.791 1.00 0.33 H new ATOM 0 H3' DT C 121 2.967 5.692 12.688 1.00 0.33 H new ATOM 0 H2' DT C 121 1.110 6.912 13.365 1.00 0.30 H new ATOM 0 H2'' DT C 121 0.351 6.596 11.817 1.00 0.30 H new ATOM 0 H1' DT C 121 -1.039 5.025 12.750 1.00 0.30 H new ATOM 0 H3 DT C 121 -3.280 6.456 16.323 1.00 0.28 H new ATOM 0 H71 DT C 121 1.913 6.146 17.823 1.00 0.28 H new ATOM 0 H72 DT C 121 1.354 7.835 17.788 1.00 0.28 H new ATOM 0 H73 DT C 121 0.626 6.680 18.930 1.00 0.28 H new ATOM 0 H6 DT C 121 1.418 5.791 15.465 1.00 0.28 H new ATOM 666 P DC C 122 2.368 6.885 10.138 1.00 0.39 P ATOM 667 OP1 DC C 122 2.907 6.716 8.776 1.00 0.46 O ATOM 668 OP2 DC C 122 3.055 7.777 11.098 1.00 0.38 O ATOM 669 O5' DC C 122 0.838 7.368 10.009 1.00 0.38 O ATOM 670 C5' DC C 122 -0.017 6.804 9.010 1.00 0.42 C ATOM 671 C4' DC C 122 -1.307 7.614 8.848 1.00 0.43 C ATOM 672 O4' DC C 122 -1.990 7.727 10.113 1.00 0.40 O ATOM 673 C3' DC C 122 -1.040 9.028 8.315 1.00 0.43 C ATOM 674 O3' DC C 122 -1.684 9.216 7.052 1.00 0.50 O ATOM 675 C2' DC C 122 -1.611 9.971 9.353 1.00 0.40 C ATOM 676 C1' DC C 122 -2.242 9.108 10.441 1.00 0.38 C ATOM 677 N1 DC C 122 -1.661 9.426 11.772 1.00 0.33 N ATOM 678 C2 DC C 122 -2.515 9.918 12.764 1.00 0.36 C ATOM 679 O2 DC C 122 -3.702 10.114 12.514 1.00 0.42 O ATOM 680 N3 DC C 122 -1.985 10.166 13.999 1.00 0.34 N ATOM 681 C4 DC C 122 -0.679 9.947 14.259 1.00 0.29 C ATOM 682 N4 DC C 122 -0.206 10.198 15.480 1.00 0.30 N ATOM 683 C5 DC C 122 0.207 9.447 13.244 1.00 0.28 C ATOM 684 C6 DC C 122 -0.326 9.204 12.022 1.00 0.29 C ATOM 0 H5' DC C 122 -0.263 5.777 9.279 1.00 0.42 H new ATOM 0 H5'' DC C 122 0.511 6.766 8.057 1.00 0.42 H new ATOM 0 H4' DC C 122 -1.923 7.079 8.126 1.00 0.43 H new ATOM 0 H3' DC C 122 0.024 9.206 8.156 1.00 0.43 H new ATOM 0 H2' DC C 122 -0.829 10.605 9.769 1.00 0.40 H new ATOM 0 H2'' DC C 122 -2.354 10.632 8.906 1.00 0.40 H new ATOM 0 H1' DC C 122 -3.313 9.303 10.491 1.00 0.38 H new ATOM 0 H41 DC C 122 0.779 10.036 15.688 1.00 0.30 H new ATOM 0 H42 DC C 122 -0.829 10.552 16.206 1.00 0.30 H new ATOM 0 H5 DC C 122 1.253 9.272 13.447 1.00 0.28 H new ATOM 0 H6 DC C 122 0.307 8.830 11.231 1.00 0.29 H new ATOM 696 P DG C 123 -1.359 10.509 6.150 1.00 0.54 P ATOM 697 OP1 DG C 123 -1.639 10.171 4.737 1.00 0.63 O ATOM 698 OP2 DG C 123 -0.024 11.020 6.536 1.00 0.51 O ATOM 699 O5' DG C 123 -2.466 11.569 6.643 1.00 0.54 O ATOM 700 C5' DG C 123 -3.859 11.255 6.566 1.00 0.58 C ATOM 701 C4' DG C 123 -4.713 12.325 7.252 1.00 0.58 C ATOM 702 O4' DG C 123 -4.476 12.310 8.677 1.00 0.51 O ATOM 703 C3' DG C 123 -4.402 13.734 6.727 1.00 0.60 C ATOM 704 O3' DG C 123 -5.575 14.344 6.183 1.00 0.68 O ATOM 705 C2' DG C 123 -3.902 14.516 7.923 1.00 0.52 C ATOM 706 C1' DG C 123 -3.960 13.580 9.126 1.00 0.47 C ATOM 707 N9 DG C 123 -2.620 13.412 9.723 1.00 0.41 N ATOM 708 C8 DG C 123 -1.442 13.077 9.115 1.00 0.42 C ATOM 709 N7 DG C 123 -0.414 12.983 9.908 1.00 0.38 N ATOM 710 C5 DG C 123 -0.949 13.282 11.157 1.00 0.34 C ATOM 711 C6 DG C 123 -0.320 13.345 12.445 1.00 0.33 C ATOM 712 O6 DG C 123 0.859 13.140 12.722 1.00 0.34 O ATOM 713 N1 DG C 123 -1.227 13.688 13.462 1.00 0.33 N ATOM 714 C2 DG C 123 -2.580 13.942 13.270 1.00 0.35 C ATOM 715 N2 DG C 123 -3.290 14.255 14.354 1.00 0.39 N ATOM 716 N3 DG C 123 -3.173 13.882 12.059 1.00 0.37 N ATOM 717 C4 DG C 123 -2.305 13.549 11.055 1.00 0.36 C ATOM 0 H5' DG C 123 -4.041 10.287 7.033 1.00 0.58 H new ATOM 0 H5'' DG C 123 -4.156 11.165 5.521 1.00 0.58 H new ATOM 0 H4' DG C 123 -5.754 12.090 7.031 1.00 0.58 H new ATOM 0 H3' DG C 123 -3.663 13.707 5.926 1.00 0.60 H new ATOM 0 H2' DG C 123 -2.883 14.866 7.756 1.00 0.52 H new ATOM 0 H2'' DG C 123 -4.519 15.399 8.091 1.00 0.52 H new ATOM 0 H1' DG C 123 -4.609 14.000 9.894 1.00 0.47 H new ATOM 0 H8 DG C 123 -1.370 12.903 8.052 1.00 0.42 H new ATOM 0 H1 DG C 123 -0.865 13.756 14.413 1.00 0.33 H new ATOM 0 H21 DG C 123 -4.288 14.451 14.271 1.00 0.39 H new ATOM 0 H22 DG C 123 -2.836 14.298 15.266 1.00 0.39 H new ATOM 729 P DC C 124 -5.524 15.856 5.627 1.00 0.73 P ATOM 730 OP1 DC C 124 -6.770 16.112 4.870 1.00 0.84 O ATOM 731 OP2 DC C 124 -4.210 16.067 4.980 1.00 0.74 O ATOM 732 O5' DC C 124 -5.567 16.731 6.979 1.00 0.67 O ATOM 733 C5' DC C 124 -6.761 16.790 7.764 1.00 0.67 C ATOM 734 C4' DC C 124 -6.612 17.735 8.961 1.00 0.64 C ATOM 735 O4' DC C 124 -5.624 17.223 9.883 1.00 0.56 O ATOM 736 C3' DC C 124 -6.186 19.147 8.539 1.00 0.68 C ATOM 737 O3' DC C 124 -7.226 20.091 8.806 1.00 0.74 O ATOM 738 C2' DC C 124 -4.958 19.470 9.367 1.00 0.62 C ATOM 739 C1' DC C 124 -4.685 18.255 10.252 1.00 0.54 C ATOM 740 N1 DC C 124 -3.283 17.773 10.081 1.00 0.50 N ATOM 741 C2 DC C 124 -2.464 17.711 11.215 1.00 0.48 C ATOM 742 O2 DC C 124 -2.897 18.061 12.311 1.00 0.51 O ATOM 743 N3 DC C 124 -1.185 17.253 11.058 1.00 0.47 N ATOM 744 C4 DC C 124 -0.719 16.871 9.850 1.00 0.48 C ATOM 745 N4 DC C 124 0.533 16.427 9.744 1.00 0.50 N ATOM 746 C5 DC C 124 -1.551 16.932 8.680 1.00 0.50 C ATOM 747 C6 DC C 124 -2.818 17.387 8.842 1.00 0.51 C ATOM 0 H5' DC C 124 -7.011 15.791 8.120 1.00 0.67 H new ATOM 0 H5'' DC C 124 -7.590 17.123 7.139 1.00 0.67 H new ATOM 0 H4' DC C 124 -7.592 17.792 9.435 1.00 0.64 H new ATOM 0 H3' DC C 124 -5.979 19.197 7.470 1.00 0.68 H new ATOM 0 H2' DC C 124 -4.103 19.679 8.724 1.00 0.62 H new ATOM 0 H2'' DC C 124 -5.125 20.360 9.974 1.00 0.62 H new ATOM 0 H1' DC C 124 -4.807 18.523 11.301 1.00 0.54 H new ATOM 0 H41 DC C 124 0.896 16.136 8.836 1.00 0.50 H new ATOM 0 H42 DC C 124 1.129 16.378 10.571 1.00 0.50 H new ATOM 0 H5 DC C 124 -1.182 16.628 7.711 1.00 0.50 H new ATOM 0 H6 DC C 124 -3.474 17.448 7.986 1.00 0.51 H new ATOM 759 P DT C 125 -7.035 21.644 8.425 1.00 0.81 P ATOM 760 OP1 DT C 125 -8.371 22.277 8.379 1.00 0.89 O ATOM 761 OP2 DT C 125 -6.139 21.725 7.250 1.00 0.84 O ATOM 762 O5' DT C 125 -6.245 22.224 9.703 1.00 0.79 O ATOM 763 C5' DT C 125 -6.862 22.225 10.992 1.00 0.79 C ATOM 764 C4' DT C 125 -5.950 22.841 12.058 1.00 0.81 C ATOM 765 O4' DT C 125 -4.770 22.027 12.239 1.00 0.74 O ATOM 766 C3' DT C 125 -5.501 24.261 11.689 1.00 0.90 C ATOM 767 O3' DT C 125 -6.045 25.215 12.605 1.00 1.00 O ATOM 768 C2' DT C 125 -3.988 24.249 11.773 1.00 0.90 C ATOM 769 C1' DT C 125 -3.576 22.835 12.183 1.00 0.78 C ATOM 770 N1 DT C 125 -2.602 22.259 11.211 1.00 0.75 N ATOM 771 C2 DT C 125 -1.359 21.846 11.696 1.00 0.74 C ATOM 772 O2 DT C 125 -1.047 21.957 12.880 1.00 0.73 O ATOM 773 N3 DT C 125 -0.496 21.300 10.757 1.00 0.75 N ATOM 774 C4 DT C 125 -0.756 21.133 9.398 1.00 0.78 C ATOM 775 O4 DT C 125 0.090 20.633 8.661 1.00 0.83 O ATOM 776 C5 DT C 125 -2.067 21.591 8.975 1.00 0.79 C ATOM 777 C7 DT C 125 -2.455 21.479 7.497 1.00 0.86 C ATOM 778 C6 DT C 125 -2.935 22.128 9.876 1.00 0.78 C ATOM 0 H5' DT C 125 -7.114 21.203 11.275 1.00 0.79 H new ATOM 0 H5'' DT C 125 -7.797 22.783 10.947 1.00 0.79 H new ATOM 0 H4' DT C 125 -6.533 22.886 12.978 1.00 0.81 H new ATOM 0 H3' DT C 125 -5.847 24.544 10.695 1.00 0.90 H new ATOM 0 H2' DT C 125 -3.546 24.517 10.813 1.00 0.90 H new ATOM 0 H2'' DT C 125 -3.636 24.980 12.501 1.00 0.90 H new ATOM 0 H1' DT C 125 -3.085 22.858 13.156 1.00 0.78 H new ATOM 0 H3 DT C 125 0.416 20.991 11.093 1.00 0.75 H new ATOM 0 H71 DT C 125 -3.533 21.341 7.413 1.00 0.86 H new ATOM 0 H72 DT C 125 -2.164 22.390 6.974 1.00 0.86 H new ATOM 0 H73 DT C 125 -1.944 20.626 7.050 1.00 0.86 H new ATOM 0 H6 DT C 125 -3.906 22.459 9.540 1.00 0.78 H new ATOM 791 P DG C 126 -5.833 26.793 12.363 1.00 1.13 P ATOM 792 OP1 DG C 126 -6.921 27.518 13.057 1.00 1.23 O ATOM 793 OP2 DG C 126 -5.604 27.013 10.918 1.00 1.14 O ATOM 794 O5' DG C 126 -4.455 27.086 13.142 1.00 1.17 O ATOM 795 C5' DG C 126 -4.326 26.775 14.532 1.00 1.17 C ATOM 796 C4' DG C 126 -2.953 27.183 15.072 1.00 1.24 C ATOM 797 O4' DG C 126 -1.929 26.316 14.537 1.00 1.15 O ATOM 798 C3' DG C 126 -2.595 28.630 14.705 1.00 1.39 C ATOM 799 O3' DG C 126 -2.297 29.387 15.881 1.00 1.51 O ATOM 800 C2' DG C 126 -1.378 28.536 13.810 1.00 1.38 C ATOM 801 C1' DG C 126 -0.938 27.077 13.815 1.00 1.24 C ATOM 802 N9 DG C 126 -0.793 26.564 12.438 1.00 1.20 N ATOM 803 C8 DG C 126 -1.698 26.571 11.412 1.00 1.21 C ATOM 804 N7 DG C 126 -1.291 26.017 10.307 1.00 1.20 N ATOM 805 C5 DG C 126 0.002 25.603 10.619 1.00 1.19 C ATOM 806 C6 DG C 126 0.979 24.924 9.817 1.00 1.20 C ATOM 807 O6 DG C 126 0.876 24.554 8.649 1.00 1.24 O ATOM 808 N1 DG C 126 2.173 24.690 10.522 1.00 1.20 N ATOM 809 C2 DG C 126 2.404 25.062 11.841 1.00 1.18 C ATOM 810 N2 DG C 126 3.598 24.760 12.349 1.00 1.20 N ATOM 811 N3 DG C 126 1.486 25.699 12.594 1.00 1.18 N ATOM 812 C4 DG C 126 0.316 25.936 11.925 1.00 1.18 C ATOM 0 H5' DG C 126 -4.474 25.706 14.682 1.00 1.17 H new ATOM 0 H5'' DG C 126 -5.107 27.287 15.095 1.00 1.17 H new ATOM 0 H4' DG C 126 -3.004 27.097 16.157 1.00 1.24 H new ATOM 0 H3' DG C 126 -3.422 29.135 14.206 1.00 1.39 H new ATOM 0 H2' DG C 126 -1.616 28.864 12.798 1.00 1.38 H new ATOM 0 H2'' DG C 126 -0.579 29.182 14.175 1.00 1.38 H new ATOM 0 HO3' DG C 126 -2.069 30.306 15.629 1.00 1.51 H new ATOM 0 H1' DG C 126 0.035 26.985 14.298 1.00 1.24 H new ATOM 0 H8 DG C 126 -2.681 27.006 11.512 1.00 1.21 H new ATOM 0 H1 DG C 126 2.926 24.211 10.028 1.00 1.20 H new ATOM 0 H21 DG C 126 3.820 25.010 13.313 1.00 1.20 H new ATOM 0 H22 DG C 126 4.290 24.279 11.774 1.00 1.20 H new TER 825 DG C 126 ATOM 826 N MET A 1 14.152 23.453 33.033 1.00 12.74 N ATOM 827 CA MET A 1 15.462 24.126 33.269 1.00 12.46 C ATOM 828 C MET A 1 16.487 23.458 32.353 1.00 12.00 C ATOM 829 O MET A 1 16.481 22.253 32.198 1.00 11.83 O ATOM 830 CB MET A 1 15.837 23.962 34.757 1.00 12.77 C ATOM 831 CG MET A 1 16.467 25.242 35.334 1.00 13.10 C ATOM 832 SD MET A 1 15.435 26.710 35.041 1.00 13.68 S ATOM 833 CE MET A 1 13.817 26.030 35.493 1.00 13.98 C ATOM 0 H1 MET A 1 13.534 23.597 33.857 1.00 12.74 H new ATOM 0 H2 MET A 1 13.701 23.858 32.188 1.00 12.74 H new ATOM 0 H3 MET A 1 14.306 22.435 32.889 1.00 12.74 H new ATOM 0 HA MET A 1 15.424 25.193 33.047 1.00 12.46 H new ATOM 0 HB2 MET A 1 14.946 23.706 35.330 1.00 12.77 H new ATOM 0 HB3 MET A 1 16.536 23.132 34.866 1.00 12.77 H new ATOM 0 HG2 MET A 1 16.622 25.117 36.406 1.00 13.10 H new ATOM 0 HG3 MET A 1 17.449 25.395 34.886 1.00 13.10 H new ATOM 0 HE1 MET A 1 13.191 26.822 35.904 1.00 13.98 H new ATOM 0 HE2 MET A 1 13.338 25.612 34.608 1.00 13.98 H new ATOM 0 HE3 MET A 1 13.947 25.246 36.239 1.00 13.98 H new ATOM 845 N LYS A 2 17.330 24.208 31.688 1.00 12.01 N ATOM 846 CA LYS A 2 18.261 23.530 30.748 1.00 11.82 C ATOM 847 C LYS A 2 19.262 22.643 31.481 1.00 11.24 C ATOM 848 O LYS A 2 20.297 23.035 31.983 1.00 11.39 O ATOM 849 CB LYS A 2 18.963 24.508 29.790 1.00 12.20 C ATOM 850 CG LYS A 2 19.123 23.866 28.389 1.00 12.65 C ATOM 851 CD LYS A 2 17.773 23.528 27.705 1.00 13.32 C ATOM 852 CE LYS A 2 16.702 24.598 27.966 1.00 13.84 C ATOM 853 NZ LYS A 2 16.161 24.480 29.355 1.00 14.19 N ATOM 0 H LYS A 2 17.411 25.223 31.753 1.00 12.01 H new ATOM 0 HA LYS A 2 17.644 22.882 30.126 1.00 11.82 H new ATOM 0 HB2 LYS A 2 18.385 25.429 29.712 1.00 12.20 H new ATOM 0 HB3 LYS A 2 19.941 24.778 30.188 1.00 12.20 H new ATOM 0 HG2 LYS A 2 19.685 24.546 27.749 1.00 12.65 H new ATOM 0 HG3 LYS A 2 19.713 22.954 28.481 1.00 12.65 H new ATOM 0 HD2 LYS A 2 17.928 23.427 26.631 1.00 13.32 H new ATOM 0 HD3 LYS A 2 17.416 22.564 28.068 1.00 13.32 H new ATOM 0 HE2 LYS A 2 17.130 25.590 27.820 1.00 13.84 H new ATOM 0 HE3 LYS A 2 15.892 24.491 27.245 1.00 13.84 H new ATOM 0 HZ1 LYS A 2 15.139 24.673 29.347 1.00 14.19 H new ATOM 0 HZ2 LYS A 2 16.329 23.518 29.712 1.00 14.19 H new ATOM 0 HZ3 LYS A 2 16.638 25.167 29.973 1.00 14.19 H new ATOM 867 N ASN A 3 18.895 21.412 31.440 1.00 10.78 N ATOM 868 CA ASN A 3 19.638 20.265 31.981 1.00 10.43 C ATOM 869 C ASN A 3 18.978 19.114 31.234 1.00 10.13 C ATOM 870 O ASN A 3 19.467 18.005 31.180 1.00 10.43 O ATOM 871 CB ASN A 3 19.415 20.106 33.492 1.00 10.50 C ATOM 872 CG ASN A 3 20.175 21.189 34.262 1.00 10.78 C ATOM 873 OD1 ASN A 3 19.581 21.963 34.986 1.00 10.96 O ATOM 874 ND2 ASN A 3 21.473 21.271 34.148 1.00 11.06 N ATOM 0 H ASN A 3 18.016 21.131 31.006 1.00 10.78 H new ATOM 0 HA ASN A 3 20.718 20.344 31.856 1.00 10.43 H new ATOM 0 HB2 ASN A 3 18.350 20.170 33.717 1.00 10.50 H new ATOM 0 HB3 ASN A 3 19.750 19.120 33.813 1.00 10.50 H new ATOM 0 HD21 ASN A 3 21.986 21.984 34.666 1.00 11.06 H new ATOM 0 HD22 ASN A 3 21.974 20.622 33.541 1.00 11.06 H new ATOM 881 N GLY A 4 17.824 19.417 30.657 1.00 9.76 N ATOM 882 CA GLY A 4 17.034 18.407 29.900 1.00 9.70 C ATOM 883 C GLY A 4 17.027 17.167 30.763 1.00 9.18 C ATOM 884 O GLY A 4 17.315 16.077 30.314 1.00 9.40 O ATOM 0 H GLY A 4 17.400 20.344 30.688 1.00 9.76 H new ATOM 0 HA2 GLY A 4 16.020 18.761 29.715 1.00 9.70 H new ATOM 0 HA3 GLY A 4 17.484 18.206 28.928 1.00 9.70 H new ATOM 888 N GLU A 5 16.684 17.350 32.009 1.00 8.70 N ATOM 889 CA GLU A 5 16.665 16.220 32.967 1.00 8.40 C ATOM 890 C GLU A 5 15.644 16.513 34.076 1.00 7.92 C ATOM 891 O GLU A 5 16.053 16.835 35.175 1.00 8.00 O ATOM 892 CB GLU A 5 18.044 16.116 33.667 1.00 8.39 C ATOM 893 CG GLU A 5 19.188 15.648 32.731 1.00 8.71 C ATOM 894 CD GLU A 5 20.469 16.440 33.017 1.00 9.07 C ATOM 895 OE1 GLU A 5 20.657 16.836 34.155 1.00 9.17 O ATOM 896 OE2 GLU A 5 21.239 16.634 32.090 1.00 9.49 O ATOM 0 H GLU A 5 16.413 18.250 32.405 1.00 8.70 H new ATOM 0 HA GLU A 5 16.420 15.307 32.424 1.00 8.40 H new ATOM 0 HB2 GLU A 5 18.304 17.089 34.084 1.00 8.39 H new ATOM 0 HB3 GLU A 5 17.965 15.422 34.504 1.00 8.39 H new ATOM 0 HG2 GLU A 5 19.371 14.583 32.874 1.00 8.71 H new ATOM 0 HG3 GLU A 5 18.894 15.783 31.690 1.00 8.71 H new ATOM 903 N GLN A 6 14.342 16.409 33.850 1.00 7.65 N ATOM 904 CA GLN A 6 13.382 16.675 34.985 1.00 7.44 C ATOM 905 C GLN A 6 13.995 15.946 36.179 1.00 6.61 C ATOM 906 O GLN A 6 14.088 16.428 37.290 1.00 6.42 O ATOM 907 CB GLN A 6 11.985 16.099 34.682 1.00 7.73 C ATOM 908 CG GLN A 6 11.611 16.298 33.193 1.00 8.00 C ATOM 909 CD GLN A 6 11.629 14.950 32.459 1.00 8.70 C ATOM 910 OE1 GLN A 6 10.862 14.063 32.778 1.00 9.18 O ATOM 911 NE2 GLN A 6 12.480 14.757 31.490 1.00 9.02 N ATOM 0 H GLN A 6 13.915 16.160 32.958 1.00 7.65 H new ATOM 0 HA GLN A 6 13.246 17.743 35.158 1.00 7.44 H new ATOM 0 HB2 GLN A 6 11.965 15.037 34.926 1.00 7.73 H new ATOM 0 HB3 GLN A 6 11.243 16.585 35.315 1.00 7.73 H new ATOM 0 HG2 GLN A 6 10.622 16.750 33.116 1.00 8.00 H new ATOM 0 HG3 GLN A 6 12.313 16.986 32.723 1.00 8.00 H new ATOM 0 HE21 GLN A 6 13.124 15.501 31.221 1.00 9.02 H new ATOM 0 HE22 GLN A 6 12.501 13.862 31.001 1.00 9.02 H new ATOM 920 N ASN A 7 14.510 14.803 35.842 1.00 6.40 N ATOM 921 CA ASN A 7 15.272 13.938 36.768 1.00 5.94 C ATOM 922 C ASN A 7 16.416 13.445 35.883 1.00 4.82 C ATOM 923 O ASN A 7 17.566 13.387 36.268 1.00 4.72 O ATOM 924 CB ASN A 7 14.411 12.763 37.267 1.00 6.56 C ATOM 925 CG ASN A 7 13.154 12.629 36.400 1.00 7.02 C ATOM 926 OD1 ASN A 7 13.277 12.515 35.105 1.00 7.10 O flip ATOM 927 ND2 ASN A 7 12.050 12.633 36.906 1.00 7.66 N flip ATOM 0 H ASN A 7 14.425 14.414 34.903 1.00 6.40 H new ATOM 0 HA ASN A 7 15.606 14.451 37.670 1.00 5.94 H new ATOM 0 HB2 ASN A 7 14.987 11.838 37.232 1.00 6.56 H new ATOM 0 HB3 ASN A 7 14.130 12.924 38.308 1.00 6.56 H new ATOM 0 HD21 ASN A 7 11.953 12.722 37.917 1.00 7.66 H new ATOM 0 HD22 ASN A 7 11.220 12.547 36.320 1.00 7.66 H new ATOM 934 N GLY A 8 16.062 13.123 34.665 1.00 4.20 N ATOM 935 CA GLY A 8 17.046 12.655 33.655 1.00 3.40 C ATOM 936 C GLY A 8 16.288 11.932 32.541 1.00 2.37 C ATOM 937 O GLY A 8 16.221 12.401 31.421 1.00 2.65 O ATOM 0 H GLY A 8 15.102 13.168 34.324 1.00 4.20 H new ATOM 0 HA2 GLY A 8 17.603 13.499 33.249 1.00 3.40 H new ATOM 0 HA3 GLY A 8 17.773 11.986 34.115 1.00 3.40 H new ATOM 941 N PRO A 9 15.714 10.803 32.848 1.00 1.65 N ATOM 942 CA PRO A 9 14.937 9.995 31.873 1.00 1.24 C ATOM 943 C PRO A 9 13.423 10.235 31.935 1.00 0.99 C ATOM 944 O PRO A 9 12.762 9.743 32.828 1.00 0.98 O ATOM 945 CB PRO A 9 15.242 8.583 32.366 1.00 1.98 C ATOM 946 CG PRO A 9 15.235 8.718 33.859 1.00 2.35 C ATOM 947 CD PRO A 9 15.743 10.137 34.164 1.00 2.19 C ATOM 0 HA PRO A 9 15.204 10.222 30.841 1.00 1.24 H new ATOM 0 HB2 PRO A 9 14.492 7.869 32.025 1.00 1.98 H new ATOM 0 HB3 PRO A 9 16.207 8.231 32.000 1.00 1.98 H new ATOM 0 HG2 PRO A 9 14.232 8.569 34.259 1.00 2.35 H new ATOM 0 HG3 PRO A 9 15.876 7.967 34.321 1.00 2.35 H new ATOM 0 HD2 PRO A 9 15.104 10.646 34.886 1.00 2.19 H new ATOM 0 HD3 PRO A 9 16.749 10.122 34.584 1.00 2.19 H new ATOM 955 N THR A 10 12.843 10.945 30.995 1.00 0.87 N ATOM 956 CA THR A 10 11.359 11.127 31.046 1.00 0.67 C ATOM 957 C THR A 10 10.775 9.719 31.167 1.00 0.59 C ATOM 958 O THR A 10 10.925 8.899 30.283 1.00 0.62 O ATOM 959 CB THR A 10 10.865 11.818 29.765 1.00 0.63 C ATOM 960 OG1 THR A 10 11.102 13.215 29.871 1.00 0.72 O ATOM 961 CG2 THR A 10 9.361 11.577 29.557 1.00 0.53 C ATOM 0 H THR A 10 13.320 11.396 30.214 1.00 0.87 H new ATOM 0 HA THR A 10 11.053 11.756 31.882 1.00 0.67 H new ATOM 0 HB THR A 10 11.405 11.403 28.914 1.00 0.63 H new ATOM 0 HG1 THR A 10 11.804 13.477 29.239 1.00 0.72 H new ATOM 0 HG21 THR A 10 9.035 12.076 28.644 1.00 0.53 H new ATOM 0 HG22 THR A 10 9.172 10.507 29.473 1.00 0.53 H new ATOM 0 HG23 THR A 10 8.807 11.977 30.406 1.00 0.53 H new ATOM 969 N THR A 11 10.203 9.409 32.302 1.00 0.55 N ATOM 970 CA THR A 11 9.711 8.022 32.553 1.00 0.53 C ATOM 971 C THR A 11 8.204 7.970 32.799 1.00 0.49 C ATOM 972 O THR A 11 7.622 8.836 33.421 1.00 0.49 O ATOM 973 CB THR A 11 10.430 7.509 33.801 1.00 0.61 C ATOM 974 OG1 THR A 11 11.831 7.503 33.570 1.00 0.67 O ATOM 975 CG2 THR A 11 9.955 6.098 34.123 1.00 0.68 C ATOM 0 H THR A 11 10.055 10.063 33.071 1.00 0.55 H new ATOM 0 HA THR A 11 9.914 7.413 31.672 1.00 0.53 H new ATOM 0 HB THR A 11 10.205 8.162 34.644 1.00 0.61 H new ATOM 0 HG1 THR A 11 12.185 8.410 33.681 1.00 0.67 H new ATOM 0 HG21 THR A 11 10.469 5.735 35.013 1.00 0.68 H new ATOM 0 HG22 THR A 11 8.880 6.108 34.304 1.00 0.68 H new ATOM 0 HG23 THR A 11 10.175 5.439 33.283 1.00 0.68 H new ATOM 983 N CYS A 12 7.586 6.920 32.326 1.00 0.46 N ATOM 984 CA CYS A 12 6.125 6.731 32.527 1.00 0.43 C ATOM 985 C CYS A 12 5.882 6.425 34.006 1.00 0.46 C ATOM 986 O CYS A 12 6.247 5.376 34.499 1.00 0.48 O ATOM 987 CB CYS A 12 5.675 5.550 31.666 1.00 0.41 C ATOM 988 SG CYS A 12 3.884 5.592 31.421 1.00 0.37 S ATOM 0 H CYS A 12 8.043 6.175 31.800 1.00 0.46 H new ATOM 0 HA CYS A 12 5.566 7.623 32.244 1.00 0.43 H new ATOM 0 HB2 CYS A 12 6.181 5.582 30.701 1.00 0.41 H new ATOM 0 HB3 CYS A 12 5.961 4.613 32.145 1.00 0.41 H new ATOM 993 N THR A 13 5.270 7.331 34.713 1.00 0.46 N ATOM 994 CA THR A 13 5.020 7.105 36.163 1.00 0.50 C ATOM 995 C THR A 13 4.057 5.935 36.351 1.00 0.49 C ATOM 996 O THR A 13 3.812 5.500 37.459 1.00 0.53 O ATOM 997 CB THR A 13 4.414 8.369 36.777 1.00 0.52 C ATOM 998 OG1 THR A 13 3.294 8.779 36.005 1.00 0.48 O ATOM 999 CG2 THR A 13 5.460 9.486 36.797 1.00 0.61 C ATOM 0 H THR A 13 4.931 8.221 34.349 1.00 0.46 H new ATOM 0 HA THR A 13 5.963 6.873 36.657 1.00 0.50 H new ATOM 0 HB THR A 13 4.095 8.158 37.798 1.00 0.52 H new ATOM 0 HG1 THR A 13 2.904 9.588 36.398 1.00 0.48 H new ATOM 0 HG21 THR A 13 5.025 10.384 37.235 1.00 0.61 H new ATOM 0 HG22 THR A 13 6.317 9.171 37.392 1.00 0.61 H new ATOM 0 HG23 THR A 13 5.784 9.699 35.778 1.00 0.61 H new ATOM 1007 N ASN A 14 3.499 5.428 35.282 1.00 0.44 N ATOM 1008 CA ASN A 14 2.536 4.292 35.403 1.00 0.44 C ATOM 1009 C ASN A 14 3.200 2.960 35.030 1.00 0.45 C ATOM 1010 O ASN A 14 2.906 1.952 35.641 1.00 0.48 O ATOM 1011 CB ASN A 14 1.338 4.538 34.479 1.00 0.41 C ATOM 1012 CG ASN A 14 0.412 5.583 35.107 1.00 0.44 C ATOM 1013 OD1 ASN A 14 0.681 6.081 36.183 1.00 1.20 O ATOM 1014 ND2 ASN A 14 -0.683 5.925 34.487 1.00 1.15 N ATOM 0 H ASN A 14 3.669 5.752 34.330 1.00 0.44 H new ATOM 0 HA ASN A 14 2.205 4.233 36.440 1.00 0.44 H new ATOM 0 HB2 ASN A 14 1.683 4.882 33.504 1.00 0.41 H new ATOM 0 HB3 ASN A 14 0.795 3.607 34.315 1.00 0.41 H new ATOM 0 HD21 ASN A 14 -1.313 6.610 34.905 1.00 1.15 H new ATOM 0 HD22 ASN A 14 -0.909 5.508 33.584 1.00 1.15 H new ATOM 1021 N CYS A 15 4.053 2.914 34.027 1.00 0.44 N ATOM 1022 CA CYS A 15 4.668 1.597 33.634 1.00 0.46 C ATOM 1023 C CYS A 15 6.196 1.682 33.521 1.00 0.49 C ATOM 1024 O CYS A 15 6.839 0.714 33.166 1.00 0.52 O ATOM 1025 CB CYS A 15 4.060 1.127 32.307 1.00 0.45 C ATOM 1026 SG CYS A 15 4.787 2.029 30.918 1.00 0.41 S ATOM 0 H CYS A 15 4.347 3.717 33.471 1.00 0.44 H new ATOM 0 HA CYS A 15 4.447 0.874 34.420 1.00 0.46 H new ATOM 0 HB2 CYS A 15 4.230 0.058 32.182 1.00 0.45 H new ATOM 0 HB3 CYS A 15 2.981 1.279 32.321 1.00 0.45 H new ATOM 1031 N PHE A 16 6.794 2.795 33.856 1.00 0.49 N ATOM 1032 CA PHE A 16 8.286 2.911 33.821 1.00 0.53 C ATOM 1033 C PHE A 16 8.900 2.620 32.444 1.00 0.52 C ATOM 1034 O PHE A 16 10.105 2.520 32.324 1.00 0.57 O ATOM 1035 CB PHE A 16 8.900 1.956 34.849 1.00 0.61 C ATOM 1036 CG PHE A 16 8.404 2.311 36.231 1.00 0.88 C ATOM 1037 CD1 PHE A 16 9.056 3.310 36.976 1.00 1.36 C ATOM 1038 CD2 PHE A 16 7.293 1.642 36.775 1.00 1.37 C ATOM 1039 CE1 PHE A 16 8.598 3.640 38.263 1.00 1.96 C ATOM 1040 CE2 PHE A 16 6.835 1.972 38.062 1.00 1.97 C ATOM 1041 CZ PHE A 16 7.487 2.971 38.806 1.00 2.19 C ATOM 0 H PHE A 16 6.308 3.640 34.156 1.00 0.49 H new ATOM 0 HA PHE A 16 8.515 3.950 34.057 1.00 0.53 H new ATOM 0 HB2 PHE A 16 8.633 0.927 34.609 1.00 0.61 H new ATOM 0 HB3 PHE A 16 9.988 2.019 34.815 1.00 0.61 H new ATOM 0 HD1 PHE A 16 9.909 3.824 36.559 1.00 1.36 H new ATOM 0 HD2 PHE A 16 6.792 0.875 36.204 1.00 1.37 H new ATOM 0 HE1 PHE A 16 9.099 4.407 38.835 1.00 1.96 H new ATOM 0 HE2 PHE A 16 5.982 1.458 38.480 1.00 1.97 H new ATOM 0 HZ PHE A 16 7.134 3.225 39.795 1.00 2.19 H new ATOM 1051 N THR A 17 8.126 2.452 31.411 1.00 0.50 N ATOM 1052 CA THR A 17 8.742 2.135 30.084 1.00 0.50 C ATOM 1053 C THR A 17 9.575 3.307 29.559 1.00 0.48 C ATOM 1054 O THR A 17 9.175 4.452 29.623 1.00 0.47 O ATOM 1055 CB THR A 17 7.642 1.816 29.070 1.00 0.52 C ATOM 1056 OG1 THR A 17 8.212 1.161 27.947 1.00 0.72 O ATOM 1057 CG2 THR A 17 6.936 3.098 28.611 1.00 0.60 C ATOM 0 H THR A 17 7.108 2.518 31.421 1.00 0.50 H new ATOM 0 HA THR A 17 9.398 1.275 30.218 1.00 0.50 H new ATOM 0 HB THR A 17 6.907 1.167 29.546 1.00 0.52 H new ATOM 0 HG1 THR A 17 8.155 1.746 27.163 1.00 0.72 H new ATOM 0 HG21 THR A 17 6.158 2.847 27.890 1.00 0.60 H new ATOM 0 HG22 THR A 17 6.487 3.594 29.471 1.00 0.60 H new ATOM 0 HG23 THR A 17 7.661 3.765 28.145 1.00 0.60 H new ATOM 1065 N GLN A 18 10.734 3.015 29.029 1.00 0.49 N ATOM 1066 CA GLN A 18 11.620 4.082 28.478 1.00 0.50 C ATOM 1067 C GLN A 18 11.476 4.090 26.948 1.00 0.48 C ATOM 1068 O GLN A 18 11.899 5.014 26.281 1.00 0.51 O ATOM 1069 CB GLN A 18 13.077 3.748 28.872 1.00 0.56 C ATOM 1070 CG GLN A 18 13.752 4.940 29.557 1.00 1.42 C ATOM 1071 CD GLN A 18 15.140 4.515 30.041 1.00 1.80 C ATOM 1072 OE1 GLN A 18 15.535 3.380 29.863 1.00 1.98 O ATOM 1073 NE2 GLN A 18 15.903 5.381 30.650 1.00 2.61 N ATOM 0 H GLN A 18 11.109 2.069 28.954 1.00 0.49 H new ATOM 0 HA GLN A 18 11.350 5.062 28.871 1.00 0.50 H new ATOM 0 HB2 GLN A 18 13.088 2.887 29.540 1.00 0.56 H new ATOM 0 HB3 GLN A 18 13.642 3.468 27.983 1.00 0.56 H new ATOM 0 HG2 GLN A 18 13.835 5.776 28.863 1.00 1.42 H new ATOM 0 HG3 GLN A 18 13.149 5.283 30.398 1.00 1.42 H new ATOM 0 HE21 GLN A 18 15.573 6.334 30.800 1.00 2.61 H new ATOM 0 HE22 GLN A 18 16.829 5.104 30.976 1.00 2.61 H new ATOM 1082 N THR A 19 10.890 3.058 26.393 1.00 0.47 N ATOM 1083 CA THR A 19 10.721 2.977 24.908 1.00 0.47 C ATOM 1084 C THR A 19 9.268 3.270 24.527 1.00 0.42 C ATOM 1085 O THR A 19 8.355 2.585 24.945 1.00 0.42 O ATOM 1086 CB THR A 19 11.090 1.564 24.437 1.00 0.53 C ATOM 1087 OG1 THR A 19 12.428 1.283 24.823 1.00 0.60 O ATOM 1088 CG2 THR A 19 10.971 1.449 22.905 1.00 0.59 C ATOM 0 H THR A 19 10.518 2.261 26.910 1.00 0.47 H new ATOM 0 HA THR A 19 11.370 3.712 24.433 1.00 0.47 H new ATOM 0 HB THR A 19 10.404 0.851 24.894 1.00 0.53 H new ATOM 0 HG1 THR A 19 12.671 0.381 24.527 1.00 0.60 H new ATOM 0 HG21 THR A 19 11.237 0.439 22.594 1.00 0.59 H new ATOM 0 HG22 THR A 19 9.946 1.663 22.603 1.00 0.59 H new ATOM 0 HG23 THR A 19 11.645 2.164 22.433 1.00 0.59 H new ATOM 1096 N THR A 20 9.051 4.273 23.720 1.00 0.39 N ATOM 1097 CA THR A 20 7.663 4.602 23.291 1.00 0.37 C ATOM 1098 C THR A 20 7.727 5.549 22.083 1.00 0.36 C ATOM 1099 O THR A 20 8.610 6.381 22.008 1.00 0.38 O ATOM 1100 CB THR A 20 6.922 5.288 24.441 1.00 0.36 C ATOM 1101 OG1 THR A 20 5.598 5.598 24.030 1.00 0.41 O ATOM 1102 CG2 THR A 20 7.652 6.575 24.831 1.00 0.39 C ATOM 0 H THR A 20 9.777 4.880 23.339 1.00 0.39 H new ATOM 0 HA THR A 20 7.134 3.689 23.017 1.00 0.37 H new ATOM 0 HB THR A 20 6.890 4.619 25.301 1.00 0.36 H new ATOM 0 HG1 THR A 20 5.448 6.563 24.110 1.00 0.41 H new ATOM 0 HG21 THR A 20 7.121 7.060 25.650 1.00 0.39 H new ATOM 0 HG22 THR A 20 8.667 6.336 25.148 1.00 0.39 H new ATOM 0 HG23 THR A 20 7.688 7.247 23.973 1.00 0.39 H new ATOM 1110 N PRO A 21 6.813 5.451 21.147 1.00 0.36 N ATOM 1111 CA PRO A 21 6.809 6.346 19.954 1.00 0.37 C ATOM 1112 C PRO A 21 6.203 7.718 20.269 1.00 0.37 C ATOM 1113 O PRO A 21 6.391 8.673 19.542 1.00 0.39 O ATOM 1114 CB PRO A 21 5.930 5.586 18.959 1.00 0.38 C ATOM 1115 CG PRO A 21 4.938 4.874 19.819 1.00 0.38 C ATOM 1116 CD PRO A 21 5.691 4.491 21.098 1.00 0.37 C ATOM 0 HA PRO A 21 7.813 6.555 19.585 1.00 0.37 H new ATOM 0 HB2 PRO A 21 5.439 6.265 18.262 1.00 0.38 H new ATOM 0 HB3 PRO A 21 6.516 4.886 18.363 1.00 0.38 H new ATOM 0 HG2 PRO A 21 4.085 5.515 20.044 1.00 0.38 H new ATOM 0 HG3 PRO A 21 4.548 3.990 19.315 1.00 0.38 H new ATOM 0 HD2 PRO A 21 5.053 4.575 21.978 1.00 0.37 H new ATOM 0 HD3 PRO A 21 6.047 3.461 21.060 1.00 0.37 H new ATOM 1124 N LEU A 22 5.453 7.817 21.335 1.00 0.35 N ATOM 1125 CA LEU A 22 4.810 9.119 21.677 1.00 0.35 C ATOM 1126 C LEU A 22 4.583 9.213 23.191 1.00 0.34 C ATOM 1127 O LEU A 22 3.986 8.352 23.806 1.00 0.31 O ATOM 1128 CB LEU A 22 3.478 9.206 20.923 1.00 0.36 C ATOM 1129 CG LEU A 22 2.648 10.404 21.395 1.00 0.35 C ATOM 1130 CD1 LEU A 22 3.469 11.692 21.292 1.00 0.39 C ATOM 1131 CD2 LEU A 22 1.413 10.528 20.499 1.00 0.36 C ATOM 0 H LEU A 22 5.258 7.053 21.983 1.00 0.35 H new ATOM 0 HA LEU A 22 5.454 9.948 21.385 1.00 0.35 H new ATOM 0 HB2 LEU A 22 3.668 9.292 19.853 1.00 0.36 H new ATOM 0 HB3 LEU A 22 2.912 8.287 21.073 1.00 0.36 H new ATOM 0 HG LEU A 22 2.355 10.252 22.434 1.00 0.35 H new ATOM 0 HD11 LEU A 22 2.867 12.535 21.631 1.00 0.39 H new ATOM 0 HD12 LEU A 22 4.359 11.607 21.916 1.00 0.39 H new ATOM 0 HD13 LEU A 22 3.767 11.852 20.256 1.00 0.39 H new ATOM 0 HD21 LEU A 22 0.812 11.377 20.823 1.00 0.36 H new ATOM 0 HD22 LEU A 22 1.727 10.679 19.466 1.00 0.36 H new ATOM 0 HD23 LEU A 22 0.820 9.616 20.569 1.00 0.36 H new ATOM 1143 N TRP A 23 5.079 10.267 23.782 1.00 0.37 N ATOM 1144 CA TRP A 23 4.931 10.461 25.255 1.00 0.36 C ATOM 1145 C TRP A 23 3.589 11.134 25.566 1.00 0.35 C ATOM 1146 O TRP A 23 3.298 12.212 25.088 1.00 0.36 O ATOM 1147 CB TRP A 23 6.076 11.344 25.772 1.00 0.39 C ATOM 1148 CG TRP A 23 7.322 10.529 25.932 1.00 0.40 C ATOM 1149 CD1 TRP A 23 8.398 10.582 25.113 1.00 0.44 C ATOM 1150 CD2 TRP A 23 7.638 9.547 26.962 1.00 0.40 C ATOM 1151 NE1 TRP A 23 9.356 9.697 25.574 1.00 0.45 N ATOM 1152 CE2 TRP A 23 8.938 9.033 26.709 1.00 0.43 C ATOM 1153 CE3 TRP A 23 6.932 9.055 28.081 1.00 0.40 C ATOM 1154 CZ2 TRP A 23 9.516 8.064 27.539 1.00 0.45 C ATOM 1155 CZ3 TRP A 23 7.510 8.081 28.918 1.00 0.43 C ATOM 1156 CH2 TRP A 23 8.799 7.586 28.647 1.00 0.45 C ATOM 0 H TRP A 23 5.586 11.010 23.302 1.00 0.37 H new ATOM 0 HA TRP A 23 4.965 9.489 25.747 1.00 0.36 H new ATOM 0 HB2 TRP A 23 6.255 12.164 25.077 1.00 0.39 H new ATOM 0 HB3 TRP A 23 5.799 11.790 26.727 1.00 0.39 H new ATOM 0 HD1 TRP A 23 8.493 11.213 24.241 1.00 0.44 H new ATOM 0 HE1 TRP A 23 10.262 9.553 25.129 1.00 0.45 H new ATOM 0 HE3 TRP A 23 5.942 9.428 28.297 1.00 0.40 H new ATOM 0 HZ2 TRP A 23 10.506 7.687 27.328 1.00 0.45 H new ATOM 0 HZ3 TRP A 23 6.961 7.712 29.772 1.00 0.43 H new ATOM 0 HH2 TRP A 23 9.237 6.838 29.292 1.00 0.45 H new ATOM 1167 N ARG A 24 2.772 10.501 26.371 1.00 0.32 N ATOM 1168 CA ARG A 24 1.443 11.081 26.734 1.00 0.31 C ATOM 1169 C ARG A 24 1.518 11.569 28.181 1.00 0.31 C ATOM 1170 O ARG A 24 2.524 11.406 28.840 1.00 0.32 O ATOM 1171 CB ARG A 24 0.367 9.992 26.641 1.00 0.30 C ATOM 1172 CG ARG A 24 0.347 9.364 25.241 1.00 0.36 C ATOM 1173 CD ARG A 24 -0.429 10.257 24.270 1.00 0.43 C ATOM 1174 NE ARG A 24 -0.460 9.622 22.923 1.00 0.55 N ATOM 1175 CZ ARG A 24 -1.350 10.000 22.047 1.00 0.39 C ATOM 1176 NH1 ARG A 24 -2.251 10.883 22.379 1.00 0.40 N ATOM 1177 NH2 ARG A 24 -1.343 9.486 20.847 1.00 0.50 N ATOM 0 H ARG A 24 2.972 9.596 26.797 1.00 0.32 H new ATOM 0 HA ARG A 24 1.194 11.899 26.058 1.00 0.31 H new ATOM 0 HB2 ARG A 24 0.558 9.221 27.388 1.00 0.30 H new ATOM 0 HB3 ARG A 24 -0.610 10.419 26.867 1.00 0.30 H new ATOM 0 HG2 ARG A 24 1.367 9.225 24.882 1.00 0.36 H new ATOM 0 HG3 ARG A 24 -0.113 8.377 25.284 1.00 0.36 H new ATOM 0 HD2 ARG A 24 -1.445 10.411 24.634 1.00 0.43 H new ATOM 0 HD3 ARG A 24 0.040 11.239 24.209 1.00 0.43 H new ATOM 0 HE ARG A 24 0.213 8.893 22.686 1.00 0.55 H new ATOM 0 HH11 ARG A 24 -2.258 11.275 23.321 1.00 0.40 H new ATOM 0 HH12 ARG A 24 -2.948 11.181 21.697 1.00 0.40 H new ATOM 0 HH21 ARG A 24 -0.642 8.789 20.595 1.00 0.50 H new ATOM 0 HH22 ARG A 24 -2.039 9.781 20.162 1.00 0.50 H new ATOM 1191 N ARG A 25 0.471 12.166 28.686 1.00 0.32 N ATOM 1192 CA ARG A 25 0.495 12.656 30.098 1.00 0.35 C ATOM 1193 C ARG A 25 -0.889 12.483 30.730 1.00 0.35 C ATOM 1194 O ARG A 25 -1.887 12.359 30.049 1.00 0.37 O ATOM 1195 CB ARG A 25 0.898 14.134 30.122 1.00 0.41 C ATOM 1196 CG ARG A 25 0.263 14.860 28.929 1.00 1.28 C ATOM 1197 CD ARG A 25 0.334 16.391 29.111 1.00 1.60 C ATOM 1198 NE ARG A 25 1.077 16.990 27.968 1.00 2.25 N ATOM 1199 CZ ARG A 25 0.979 18.269 27.730 1.00 2.87 C ATOM 1200 NH1 ARG A 25 0.189 19.008 28.461 1.00 3.15 N ATOM 1201 NH2 ARG A 25 1.662 18.807 26.757 1.00 3.73 N ATOM 0 H ARG A 25 -0.400 12.336 28.183 1.00 0.32 H new ATOM 0 HA ARG A 25 1.221 12.077 30.669 1.00 0.35 H new ATOM 0 HB2 ARG A 25 0.574 14.595 31.055 1.00 0.41 H new ATOM 0 HB3 ARG A 25 1.983 14.226 30.081 1.00 0.41 H new ATOM 0 HG2 ARG A 25 0.776 14.575 28.010 1.00 1.28 H new ATOM 0 HG3 ARG A 25 -0.777 14.551 28.822 1.00 1.28 H new ATOM 0 HD2 ARG A 25 -0.671 16.809 29.165 1.00 1.60 H new ATOM 0 HD3 ARG A 25 0.831 16.634 30.050 1.00 1.60 H new ATOM 0 HE ARG A 25 1.661 16.402 27.373 1.00 2.25 H new ATOM 0 HH11 ARG A 25 -0.350 18.585 29.217 1.00 3.15 H new ATOM 0 HH12 ARG A 25 0.111 20.008 28.277 1.00 3.15 H new ATOM 0 HH21 ARG A 25 2.273 18.227 26.182 1.00 3.73 H new ATOM 0 HH22 ARG A 25 1.585 19.807 26.572 1.00 3.73 H new ATOM 1215 N ASN A 26 -0.947 12.474 32.035 1.00 0.37 N ATOM 1216 CA ASN A 26 -2.254 12.311 32.737 1.00 0.39 C ATOM 1217 C ASN A 26 -2.892 13.695 32.931 1.00 0.43 C ATOM 1218 O ASN A 26 -2.198 14.638 33.247 1.00 0.43 O ATOM 1219 CB ASN A 26 -2.003 11.691 34.116 1.00 0.41 C ATOM 1220 CG ASN A 26 -3.329 11.233 34.725 1.00 0.46 C ATOM 1221 OD1 ASN A 26 -4.023 12.009 35.351 1.00 1.21 O ATOM 1222 ND2 ASN A 26 -3.714 9.996 34.567 1.00 1.18 N ATOM 0 H ASN A 26 -0.139 12.573 32.650 1.00 0.37 H new ATOM 0 HA ASN A 26 -2.913 11.671 32.150 1.00 0.39 H new ATOM 0 HB2 ASN A 26 -1.322 10.845 34.026 1.00 0.41 H new ATOM 0 HB3 ASN A 26 -1.523 12.419 34.771 1.00 0.41 H new ATOM 0 HD21 ASN A 26 -4.597 9.681 34.969 1.00 1.18 H new ATOM 0 HD22 ASN A 26 -3.132 9.344 34.041 1.00 1.18 H new ATOM 1229 N PRO A 27 -4.190 13.839 32.768 1.00 0.48 N ATOM 1230 CA PRO A 27 -4.859 15.156 32.975 1.00 0.54 C ATOM 1231 C PRO A 27 -4.359 15.853 34.248 1.00 0.54 C ATOM 1232 O PRO A 27 -4.626 17.015 34.480 1.00 0.59 O ATOM 1233 CB PRO A 27 -6.340 14.787 33.106 1.00 0.60 C ATOM 1234 CG PRO A 27 -6.500 13.544 32.293 1.00 0.66 C ATOM 1235 CD PRO A 27 -5.160 12.799 32.367 1.00 0.52 C ATOM 0 HA PRO A 27 -4.658 15.856 32.164 1.00 0.54 H new ATOM 0 HB2 PRO A 27 -6.614 14.616 34.147 1.00 0.60 H new ATOM 0 HB3 PRO A 27 -6.981 15.587 32.735 1.00 0.60 H new ATOM 0 HG2 PRO A 27 -7.309 12.927 32.683 1.00 0.66 H new ATOM 0 HG3 PRO A 27 -6.753 13.786 31.261 1.00 0.66 H new ATOM 0 HD2 PRO A 27 -5.195 11.986 33.092 1.00 0.52 H new ATOM 0 HD3 PRO A 27 -4.896 12.357 31.406 1.00 0.52 H new ATOM 1243 N GLU A 28 -3.640 15.140 35.077 1.00 0.51 N ATOM 1244 CA GLU A 28 -3.122 15.733 36.345 1.00 0.53 C ATOM 1245 C GLU A 28 -1.686 16.227 36.136 1.00 0.52 C ATOM 1246 O GLU A 28 -1.005 16.606 37.068 1.00 0.55 O ATOM 1247 CB GLU A 28 -3.146 14.666 37.442 1.00 0.56 C ATOM 1248 CG GLU A 28 -4.596 14.361 37.822 1.00 0.63 C ATOM 1249 CD GLU A 28 -4.626 13.294 38.916 1.00 1.13 C ATOM 1250 OE1 GLU A 28 -3.561 12.914 39.375 1.00 1.66 O ATOM 1251 OE2 GLU A 28 -5.713 12.872 39.275 1.00 1.90 O ATOM 0 H GLU A 28 -3.388 14.163 34.927 1.00 0.51 H new ATOM 0 HA GLU A 28 -3.748 16.575 36.639 1.00 0.53 H new ATOM 0 HB2 GLU A 28 -2.651 13.759 37.094 1.00 0.56 H new ATOM 0 HB3 GLU A 28 -2.595 15.014 38.316 1.00 0.56 H new ATOM 0 HG2 GLU A 28 -5.090 15.268 38.171 1.00 0.63 H new ATOM 0 HG3 GLU A 28 -5.147 14.015 36.947 1.00 0.63 H new ATOM 1258 N GLY A 29 -1.231 16.250 34.911 1.00 0.50 N ATOM 1259 CA GLY A 29 0.148 16.743 34.621 1.00 0.53 C ATOM 1260 C GLY A 29 1.196 15.646 34.829 1.00 0.52 C ATOM 1261 O GLY A 29 2.381 15.894 34.725 1.00 0.58 O ATOM 0 H GLY A 29 -1.759 15.946 34.093 1.00 0.50 H new ATOM 0 HA2 GLY A 29 0.197 17.103 33.593 1.00 0.53 H new ATOM 0 HA3 GLY A 29 0.375 17.591 35.267 1.00 0.53 H new ATOM 1265 N GLN A 30 0.793 14.436 35.109 1.00 0.49 N ATOM 1266 CA GLN A 30 1.803 13.352 35.303 1.00 0.51 C ATOM 1267 C GLN A 30 2.136 12.739 33.930 1.00 0.48 C ATOM 1268 O GLN A 30 1.246 12.494 33.141 1.00 0.63 O ATOM 1269 CB GLN A 30 1.230 12.276 36.233 1.00 0.53 C ATOM 1270 CG GLN A 30 0.602 12.944 37.467 1.00 0.69 C ATOM 1271 CD GLN A 30 0.590 11.969 38.646 1.00 1.32 C ATOM 1272 OE1 GLN A 30 -0.403 11.843 39.334 1.00 2.13 O ATOM 1273 NE2 GLN A 30 1.661 11.275 38.912 1.00 2.03 N ATOM 0 H GLN A 30 -0.181 14.151 35.211 1.00 0.49 H new ATOM 0 HA GLN A 30 2.708 13.759 35.754 1.00 0.51 H new ATOM 0 HB2 GLN A 30 0.481 11.686 35.705 1.00 0.53 H new ATOM 0 HB3 GLN A 30 2.018 11.589 36.540 1.00 0.53 H new ATOM 0 HG2 GLN A 30 1.165 13.839 37.731 1.00 0.69 H new ATOM 0 HG3 GLN A 30 -0.415 13.263 37.239 1.00 0.69 H new ATOM 0 HE21 GLN A 30 2.494 11.381 38.334 1.00 2.03 H new ATOM 0 HE22 GLN A 30 1.666 10.625 39.698 1.00 2.03 H new ATOM 1282 N PRO A 31 3.394 12.513 33.621 1.00 0.41 N ATOM 1283 CA PRO A 31 3.793 11.948 32.296 1.00 0.39 C ATOM 1284 C PRO A 31 3.406 10.473 32.122 1.00 0.36 C ATOM 1285 O PRO A 31 3.515 9.675 33.031 1.00 0.39 O ATOM 1286 CB PRO A 31 5.319 12.125 32.268 1.00 0.44 C ATOM 1287 CG PRO A 31 5.732 12.130 33.703 1.00 0.80 C ATOM 1288 CD PRO A 31 4.571 12.759 34.478 1.00 0.57 C ATOM 0 HA PRO A 31 3.280 12.455 31.479 1.00 0.39 H new ATOM 0 HB2 PRO A 31 5.801 11.314 31.721 1.00 0.44 H new ATOM 0 HB3 PRO A 31 5.600 13.055 31.773 1.00 0.44 H new ATOM 0 HG2 PRO A 31 5.932 11.118 34.054 1.00 0.80 H new ATOM 0 HG3 PRO A 31 6.649 12.703 33.842 1.00 0.80 H new ATOM 0 HD2 PRO A 31 4.452 12.301 35.460 1.00 0.57 H new ATOM 0 HD3 PRO A 31 4.731 13.825 34.640 1.00 0.57 H new ATOM 1296 N LEU A 32 2.986 10.120 30.935 1.00 0.33 N ATOM 1297 CA LEU A 32 2.606 8.709 30.623 1.00 0.31 C ATOM 1298 C LEU A 32 3.257 8.335 29.291 1.00 0.32 C ATOM 1299 O LEU A 32 3.613 9.201 28.518 1.00 0.33 O ATOM 1300 CB LEU A 32 1.085 8.579 30.476 1.00 0.29 C ATOM 1301 CG LEU A 32 0.370 8.966 31.771 1.00 0.31 C ATOM 1302 CD1 LEU A 32 -1.140 8.898 31.536 1.00 0.30 C ATOM 1303 CD2 LEU A 32 0.742 8.000 32.903 1.00 0.36 C ATOM 0 H LEU A 32 2.888 10.765 30.151 1.00 0.33 H new ATOM 0 HA LEU A 32 2.938 8.055 31.429 1.00 0.31 H new ATOM 0 HB2 LEU A 32 0.740 9.217 29.662 1.00 0.29 H new ATOM 0 HB3 LEU A 32 0.829 7.554 30.208 1.00 0.29 H new ATOM 0 HG LEU A 32 0.671 9.974 32.056 1.00 0.31 H new ATOM 0 HD11 LEU A 32 -1.663 9.172 32.452 1.00 0.30 H new ATOM 0 HD12 LEU A 32 -1.416 9.590 30.740 1.00 0.30 H new ATOM 0 HD13 LEU A 32 -1.418 7.884 31.248 1.00 0.30 H new ATOM 0 HD21 LEU A 32 0.223 8.292 33.816 1.00 0.36 H new ATOM 0 HD22 LEU A 32 0.449 6.987 32.628 1.00 0.36 H new ATOM 0 HD23 LEU A 32 1.818 8.034 33.071 1.00 0.36 H new ATOM 1315 N CYS A 33 3.391 7.071 28.977 1.00 0.33 N ATOM 1316 CA CYS A 33 3.986 6.711 27.658 1.00 0.35 C ATOM 1317 C CYS A 33 2.871 6.708 26.610 1.00 0.36 C ATOM 1318 O CYS A 33 1.959 7.505 26.667 1.00 0.46 O ATOM 1319 CB CYS A 33 4.664 5.340 27.728 1.00 0.37 C ATOM 1320 SG CYS A 33 3.440 4.045 28.028 1.00 0.37 S ATOM 0 H CYS A 33 3.118 6.285 29.567 1.00 0.33 H new ATOM 0 HA CYS A 33 4.748 7.441 27.385 1.00 0.35 H new ATOM 0 HB2 CYS A 33 5.192 5.141 26.796 1.00 0.37 H new ATOM 0 HB3 CYS A 33 5.409 5.336 28.524 1.00 0.37 H new ATOM 1325 N ASN A 34 2.937 5.837 25.643 1.00 0.35 N ATOM 1326 CA ASN A 34 1.878 5.815 24.591 1.00 0.37 C ATOM 1327 C ASN A 34 0.621 5.062 25.053 1.00 0.31 C ATOM 1328 O ASN A 34 -0.462 5.611 25.098 1.00 0.40 O ATOM 1329 CB ASN A 34 2.435 5.136 23.338 1.00 0.48 C ATOM 1330 CG ASN A 34 3.073 3.800 23.721 1.00 1.07 C ATOM 1331 OD1 ASN A 34 3.295 3.531 24.885 1.00 1.62 O ATOM 1332 ND2 ASN A 34 3.382 2.946 22.784 1.00 1.80 N ATOM 0 H ASN A 34 3.675 5.141 25.534 1.00 0.35 H new ATOM 0 HA ASN A 34 1.592 6.846 24.382 1.00 0.37 H new ATOM 0 HB2 ASN A 34 1.637 4.975 22.614 1.00 0.48 H new ATOM 0 HB3 ASN A 34 3.174 5.780 22.861 1.00 0.48 H new ATOM 0 HD21 ASN A 34 3.810 2.053 23.029 1.00 1.80 H new ATOM 0 HD22 ASN A 34 3.196 3.171 21.807 1.00 1.80 H new ATOM 1339 N ALA A 35 0.750 3.794 25.341 1.00 0.25 N ATOM 1340 CA ALA A 35 -0.440 2.977 25.735 1.00 0.26 C ATOM 1341 C ALA A 35 -1.073 3.425 27.063 1.00 0.26 C ATOM 1342 O ALA A 35 -2.280 3.454 27.186 1.00 0.28 O ATOM 1343 CB ALA A 35 -0.027 1.508 25.833 1.00 0.31 C ATOM 0 H ALA A 35 1.633 3.284 25.321 1.00 0.25 H new ATOM 0 HA ALA A 35 -1.198 3.120 24.965 1.00 0.26 H new ATOM 0 HB1 ALA A 35 -0.889 0.906 26.120 1.00 0.31 H new ATOM 0 HB2 ALA A 35 0.346 1.170 24.866 1.00 0.31 H new ATOM 0 HB3 ALA A 35 0.757 1.400 26.583 1.00 0.31 H new ATOM 1349 N CYS A 36 -0.301 3.744 28.067 1.00 0.26 N ATOM 1350 CA CYS A 36 -0.926 4.147 29.368 1.00 0.29 C ATOM 1351 C CYS A 36 -1.845 5.355 29.161 1.00 0.27 C ATOM 1352 O CYS A 36 -3.008 5.331 29.514 1.00 0.30 O ATOM 1353 CB CYS A 36 0.155 4.531 30.380 1.00 0.34 C ATOM 1354 SG CYS A 36 1.168 3.095 30.808 1.00 0.36 S ATOM 0 H CYS A 36 0.719 3.745 28.049 1.00 0.26 H new ATOM 0 HA CYS A 36 -1.501 3.301 29.743 1.00 0.29 H new ATOM 0 HB2 CYS A 36 0.786 5.317 29.965 1.00 0.34 H new ATOM 0 HB3 CYS A 36 -0.309 4.936 31.279 1.00 0.34 H new ATOM 1359 N GLY A 37 -1.333 6.407 28.587 1.00 0.26 N ATOM 1360 CA GLY A 37 -2.175 7.614 28.349 1.00 0.28 C ATOM 1361 C GLY A 37 -3.344 7.264 27.425 1.00 0.27 C ATOM 1362 O GLY A 37 -4.464 7.682 27.644 1.00 0.29 O ATOM 0 H GLY A 37 -0.366 6.484 28.271 1.00 0.26 H new ATOM 0 HA2 GLY A 37 -2.552 7.997 29.297 1.00 0.28 H new ATOM 0 HA3 GLY A 37 -1.573 8.405 27.903 1.00 0.28 H new ATOM 1366 N LEU A 38 -3.096 6.509 26.390 1.00 0.26 N ATOM 1367 CA LEU A 38 -4.193 6.144 25.446 1.00 0.27 C ATOM 1368 C LEU A 38 -5.184 5.174 26.098 1.00 0.29 C ATOM 1369 O LEU A 38 -6.378 5.268 25.891 1.00 0.31 O ATOM 1370 CB LEU A 38 -3.586 5.466 24.215 1.00 0.28 C ATOM 1371 CG LEU A 38 -2.800 6.477 23.369 1.00 0.29 C ATOM 1372 CD1 LEU A 38 -1.926 5.711 22.370 1.00 0.31 C ATOM 1373 CD2 LEU A 38 -3.761 7.395 22.598 1.00 0.33 C ATOM 0 H LEU A 38 -2.179 6.128 26.156 1.00 0.26 H new ATOM 0 HA LEU A 38 -4.724 7.054 25.168 1.00 0.27 H new ATOM 0 HB2 LEU A 38 -2.927 4.656 24.528 1.00 0.28 H new ATOM 0 HB3 LEU A 38 -4.377 5.018 23.613 1.00 0.28 H new ATOM 0 HG LEU A 38 -2.182 7.089 24.026 1.00 0.29 H new ATOM 0 HD11 LEU A 38 -1.362 6.419 21.762 1.00 0.31 H new ATOM 0 HD12 LEU A 38 -1.234 5.066 22.912 1.00 0.31 H new ATOM 0 HD13 LEU A 38 -2.559 5.103 21.724 1.00 0.31 H new ATOM 0 HD21 LEU A 38 -3.187 8.106 22.003 1.00 0.33 H new ATOM 0 HD22 LEU A 38 -4.388 6.794 21.939 1.00 0.33 H new ATOM 0 HD23 LEU A 38 -4.391 7.937 23.303 1.00 0.33 H new ATOM 1385 N PHE A 39 -4.707 4.222 26.854 1.00 0.29 N ATOM 1386 CA PHE A 39 -5.642 3.237 27.476 1.00 0.33 C ATOM 1387 C PHE A 39 -6.335 3.808 28.710 1.00 0.32 C ATOM 1388 O PHE A 39 -7.537 3.708 28.859 1.00 0.34 O ATOM 1389 CB PHE A 39 -4.895 1.970 27.898 1.00 0.38 C ATOM 1390 CG PHE A 39 -5.927 0.940 28.296 1.00 0.53 C ATOM 1391 CD1 PHE A 39 -6.567 1.029 29.547 1.00 0.68 C ATOM 1392 CD2 PHE A 39 -6.282 -0.081 27.398 1.00 0.60 C ATOM 1393 CE1 PHE A 39 -7.555 0.098 29.897 1.00 0.85 C ATOM 1394 CE2 PHE A 39 -7.274 -1.012 27.748 1.00 0.78 C ATOM 1395 CZ PHE A 39 -7.912 -0.921 28.996 1.00 0.88 C ATOM 0 H PHE A 39 -3.719 4.083 27.067 1.00 0.29 H new ATOM 0 HA PHE A 39 -6.390 3.004 26.719 1.00 0.33 H new ATOM 0 HB2 PHE A 39 -4.279 1.598 27.079 1.00 0.38 H new ATOM 0 HB3 PHE A 39 -4.224 2.181 28.731 1.00 0.38 H new ATOM 0 HD1 PHE A 39 -6.297 1.815 30.237 1.00 0.68 H new ATOM 0 HD2 PHE A 39 -5.792 -0.150 26.438 1.00 0.60 H new ATOM 0 HE1 PHE A 39 -8.042 0.163 30.859 1.00 0.85 H new ATOM 0 HE2 PHE A 39 -7.546 -1.797 27.058 1.00 0.78 H new ATOM 0 HZ PHE A 39 -8.677 -1.634 29.264 1.00 0.88 H new ATOM 1405 N LEU A 40 -5.586 4.349 29.629 1.00 0.32 N ATOM 1406 CA LEU A 40 -6.210 4.855 30.883 1.00 0.33 C ATOM 1407 C LEU A 40 -7.264 5.904 30.534 1.00 0.33 C ATOM 1408 O LEU A 40 -8.371 5.876 31.034 1.00 0.36 O ATOM 1409 CB LEU A 40 -5.119 5.481 31.759 1.00 0.35 C ATOM 1410 CG LEU A 40 -5.666 5.804 33.160 1.00 0.39 C ATOM 1411 CD1 LEU A 40 -5.691 4.540 34.032 1.00 0.52 C ATOM 1412 CD2 LEU A 40 -4.770 6.850 33.829 1.00 0.42 C ATOM 0 H LEU A 40 -4.574 4.463 29.567 1.00 0.32 H new ATOM 0 HA LEU A 40 -6.687 4.037 31.423 1.00 0.33 H new ATOM 0 HB2 LEU A 40 -4.275 4.797 31.842 1.00 0.35 H new ATOM 0 HB3 LEU A 40 -4.747 6.392 31.290 1.00 0.35 H new ATOM 0 HG LEU A 40 -6.681 6.188 33.057 1.00 0.39 H new ATOM 0 HD11 LEU A 40 -6.081 4.787 35.020 1.00 0.52 H new ATOM 0 HD12 LEU A 40 -6.330 3.790 33.567 1.00 0.52 H new ATOM 0 HD13 LEU A 40 -4.680 4.145 34.129 1.00 0.52 H new ATOM 0 HD21 LEU A 40 -5.157 7.079 34.822 1.00 0.42 H new ATOM 0 HD22 LEU A 40 -3.756 6.459 33.916 1.00 0.42 H new ATOM 0 HD23 LEU A 40 -4.758 7.758 33.226 1.00 0.42 H new ATOM 1424 N LYS A 41 -6.934 6.827 29.678 1.00 0.33 N ATOM 1425 CA LYS A 41 -7.917 7.875 29.293 1.00 0.36 C ATOM 1426 C LYS A 41 -9.158 7.228 28.661 1.00 0.38 C ATOM 1427 O LYS A 41 -10.279 7.583 28.966 1.00 0.42 O ATOM 1428 CB LYS A 41 -7.257 8.809 28.276 1.00 0.37 C ATOM 1429 CG LYS A 41 -8.158 10.016 28.019 1.00 0.43 C ATOM 1430 CD LYS A 41 -7.484 10.937 27.002 1.00 0.53 C ATOM 1431 CE LYS A 41 -8.248 12.259 26.920 1.00 1.21 C ATOM 1432 NZ LYS A 41 -9.676 11.990 26.591 1.00 2.21 N ATOM 0 H LYS A 41 -6.022 6.901 29.226 1.00 0.33 H new ATOM 0 HA LYS A 41 -8.224 8.433 30.178 1.00 0.36 H new ATOM 0 HB2 LYS A 41 -6.288 9.140 28.649 1.00 0.37 H new ATOM 0 HB3 LYS A 41 -7.074 8.275 27.343 1.00 0.37 H new ATOM 0 HG2 LYS A 41 -9.128 9.688 27.644 1.00 0.43 H new ATOM 0 HG3 LYS A 41 -8.341 10.553 28.949 1.00 0.43 H new ATOM 0 HD2 LYS A 41 -6.450 11.121 27.293 1.00 0.53 H new ATOM 0 HD3 LYS A 41 -7.460 10.458 26.023 1.00 0.53 H new ATOM 0 HE2 LYS A 41 -8.177 12.792 27.868 1.00 1.21 H new ATOM 0 HE3 LYS A 41 -7.804 12.901 26.160 1.00 1.21 H new ATOM 0 HZ1 LYS A 41 -10.130 12.869 26.271 1.00 2.21 H new ATOM 0 HZ2 LYS A 41 -9.730 11.278 25.835 1.00 2.21 H new ATOM 0 HZ3 LYS A 41 -10.166 11.635 27.437 1.00 2.21 H new ATOM 1446 N LEU A 42 -8.961 6.307 27.757 1.00 0.36 N ATOM 1447 CA LEU A 42 -10.119 5.659 27.068 1.00 0.40 C ATOM 1448 C LEU A 42 -10.910 4.745 28.014 1.00 0.43 C ATOM 1449 O LEU A 42 -12.113 4.633 27.900 1.00 0.47 O ATOM 1450 CB LEU A 42 -9.617 4.824 25.885 1.00 0.40 C ATOM 1451 CG LEU A 42 -9.105 5.735 24.762 1.00 0.41 C ATOM 1452 CD1 LEU A 42 -8.444 4.866 23.687 1.00 0.43 C ATOM 1453 CD2 LEU A 42 -10.265 6.540 24.144 1.00 0.47 C ATOM 0 H LEU A 42 -8.043 5.972 27.463 1.00 0.36 H new ATOM 0 HA LEU A 42 -10.780 6.455 26.724 1.00 0.40 H new ATOM 0 HB2 LEU A 42 -8.818 4.159 26.215 1.00 0.40 H new ATOM 0 HB3 LEU A 42 -10.423 4.193 25.510 1.00 0.40 H new ATOM 0 HG LEU A 42 -8.382 6.440 25.171 1.00 0.41 H new ATOM 0 HD11 LEU A 42 -8.075 5.501 22.882 1.00 0.43 H new ATOM 0 HD12 LEU A 42 -7.612 4.316 24.125 1.00 0.43 H new ATOM 0 HD13 LEU A 42 -9.175 4.162 23.288 1.00 0.43 H new ATOM 0 HD21 LEU A 42 -9.881 7.180 23.350 1.00 0.47 H new ATOM 0 HD22 LEU A 42 -11.005 5.854 23.732 1.00 0.47 H new ATOM 0 HD23 LEU A 42 -10.731 7.156 24.913 1.00 0.47 H new ATOM 1465 N HIS A 43 -10.258 4.050 28.910 1.00 0.43 N ATOM 1466 CA HIS A 43 -11.000 3.107 29.805 1.00 0.48 C ATOM 1467 C HIS A 43 -11.384 3.784 31.126 1.00 0.49 C ATOM 1468 O HIS A 43 -12.461 3.561 31.644 1.00 0.54 O ATOM 1469 CB HIS A 43 -10.114 1.887 30.052 1.00 0.49 C ATOM 1470 CG HIS A 43 -9.950 1.157 28.746 1.00 0.51 C ATOM 1471 ND1 HIS A 43 -9.123 1.628 27.739 1.00 0.49 N ATOM 1472 CD2 HIS A 43 -10.522 0.009 28.255 1.00 0.60 C ATOM 1473 CE1 HIS A 43 -9.221 0.779 26.701 1.00 0.55 C ATOM 1474 NE2 HIS A 43 -10.061 -0.227 26.962 1.00 0.62 N ATOM 0 H HIS A 43 -9.250 4.093 29.062 1.00 0.43 H new ATOM 0 HA HIS A 43 -11.929 2.799 29.326 1.00 0.48 H new ATOM 0 HB2 HIS A 43 -9.143 2.194 30.441 1.00 0.49 H new ATOM 0 HB3 HIS A 43 -10.565 1.234 30.799 1.00 0.49 H new ATOM 0 HD1 HIS A 43 -8.544 2.467 27.778 1.00 0.49 H new ATOM 0 HD2 HIS A 43 -11.222 -0.615 28.790 1.00 0.60 H new ATOM 0 HE1 HIS A 43 -8.686 0.896 25.770 1.00 0.55 H new ATOM 0 HE2 HIS A 43 -10.311 -1.001 26.347 1.00 0.62 H new ATOM 1482 N GLY A 44 -10.558 4.640 31.660 1.00 0.47 N ATOM 1483 CA GLY A 44 -10.937 5.355 32.916 1.00 0.50 C ATOM 1484 C GLY A 44 -11.017 4.412 34.123 1.00 0.53 C ATOM 1485 O GLY A 44 -11.639 4.739 35.114 1.00 0.60 O ATOM 0 H GLY A 44 -9.640 4.876 31.285 1.00 0.47 H new ATOM 0 HA2 GLY A 44 -10.208 6.139 33.119 1.00 0.50 H new ATOM 0 HA3 GLY A 44 -11.901 5.844 32.776 1.00 0.50 H new ATOM 1489 N VAL A 45 -10.401 3.259 34.071 1.00 0.54 N ATOM 1490 CA VAL A 45 -10.456 2.325 35.243 1.00 0.62 C ATOM 1491 C VAL A 45 -9.084 1.677 35.446 1.00 0.67 C ATOM 1492 O VAL A 45 -8.333 1.486 34.510 1.00 0.79 O ATOM 1493 CB VAL A 45 -11.508 1.238 34.998 1.00 0.69 C ATOM 1494 CG1 VAL A 45 -12.909 1.843 35.100 1.00 0.77 C ATOM 1495 CG2 VAL A 45 -11.320 0.647 33.601 1.00 0.71 C ATOM 0 H VAL A 45 -9.863 2.922 33.272 1.00 0.54 H new ATOM 0 HA VAL A 45 -10.728 2.888 36.136 1.00 0.62 H new ATOM 0 HB VAL A 45 -11.392 0.455 35.747 1.00 0.69 H new ATOM 0 HG11 VAL A 45 -13.654 1.067 34.925 1.00 0.77 H new ATOM 0 HG12 VAL A 45 -13.051 2.265 36.095 1.00 0.77 H new ATOM 0 HG13 VAL A 45 -13.021 2.629 34.353 1.00 0.77 H new ATOM 0 HG21 VAL A 45 -12.069 -0.126 33.429 1.00 0.71 H new ATOM 0 HG22 VAL A 45 -11.432 1.434 32.855 1.00 0.71 H new ATOM 0 HG23 VAL A 45 -10.324 0.211 33.521 1.00 0.71 H new ATOM 1505 N VAL A 46 -8.749 1.338 36.664 1.00 0.71 N ATOM 1506 CA VAL A 46 -7.424 0.706 36.928 1.00 0.80 C ATOM 1507 C VAL A 46 -7.218 -0.440 35.936 1.00 0.96 C ATOM 1508 O VAL A 46 -8.154 -0.899 35.313 1.00 1.16 O ATOM 1509 CB VAL A 46 -7.388 0.173 38.361 1.00 0.94 C ATOM 1510 CG1 VAL A 46 -7.373 1.350 39.340 1.00 1.13 C ATOM 1511 CG2 VAL A 46 -8.628 -0.684 38.618 1.00 1.12 C ATOM 0 H VAL A 46 -9.337 1.472 37.487 1.00 0.71 H new ATOM 0 HA VAL A 46 -6.628 1.441 36.806 1.00 0.80 H new ATOM 0 HB VAL A 46 -6.492 -0.432 38.502 1.00 0.94 H new ATOM 0 HG11 VAL A 46 -7.347 0.973 40.362 1.00 1.13 H new ATOM 0 HG12 VAL A 46 -6.491 1.964 39.158 1.00 1.13 H new ATOM 0 HG13 VAL A 46 -8.270 1.953 39.198 1.00 1.13 H new ATOM 0 HG21 VAL A 46 -8.602 -1.064 39.639 1.00 1.12 H new ATOM 0 HG22 VAL A 46 -9.524 -0.079 38.478 1.00 1.12 H new ATOM 0 HG23 VAL A 46 -8.643 -1.521 37.920 1.00 1.12 H new ATOM 1521 N ARG A 47 -6.003 -0.886 35.744 1.00 1.13 N ATOM 1522 CA ARG A 47 -5.775 -1.973 34.745 1.00 1.48 C ATOM 1523 C ARG A 47 -4.525 -2.799 35.082 1.00 1.10 C ATOM 1524 O ARG A 47 -3.453 -2.246 35.233 1.00 0.95 O ATOM 1525 CB ARG A 47 -5.560 -1.302 33.383 1.00 2.08 C ATOM 1526 CG ARG A 47 -4.958 -2.292 32.358 1.00 2.64 C ATOM 1527 CD ARG A 47 -5.532 -1.996 30.982 1.00 3.65 C ATOM 1528 NE ARG A 47 -7.010 -2.228 31.065 1.00 4.45 N ATOM 1529 CZ ARG A 47 -7.527 -3.418 31.012 1.00 5.32 C ATOM 1530 NH1 ARG A 47 -6.789 -4.433 30.667 1.00 5.58 N ATOM 1531 NH2 ARG A 47 -8.798 -3.587 31.254 1.00 6.22 N ATOM 0 H ARG A 47 -5.170 -0.551 36.228 1.00 1.13 H new ATOM 0 HA ARG A 47 -6.633 -2.645 34.745 1.00 1.48 H new ATOM 0 HB2 ARG A 47 -6.510 -0.921 33.009 1.00 2.08 H new ATOM 0 HB3 ARG A 47 -4.896 -0.445 33.498 1.00 2.08 H new ATOM 0 HG2 ARG A 47 -3.872 -2.200 32.340 1.00 2.64 H new ATOM 0 HG3 ARG A 47 -5.186 -3.318 32.648 1.00 2.64 H new ATOM 0 HD2 ARG A 47 -5.319 -0.968 30.688 1.00 3.65 H new ATOM 0 HD3 ARG A 47 -5.082 -2.643 30.229 1.00 3.65 H new ATOM 0 HE ARG A 47 -7.630 -1.425 31.166 1.00 4.45 H new ATOM 0 HH11 ARG A 47 -5.805 -4.294 30.438 1.00 5.58 H new ATOM 0 HH12 ARG A 47 -7.195 -5.368 30.625 1.00 5.58 H new ATOM 0 HH21 ARG A 47 -9.384 -2.785 31.484 1.00 6.22 H new ATOM 0 HH22 ARG A 47 -9.205 -4.521 31.213 1.00 6.22 H new ATOM 1545 N PRO A 48 -4.617 -4.111 35.128 1.00 1.20 N ATOM 1546 CA PRO A 48 -3.414 -4.950 35.363 1.00 0.97 C ATOM 1547 C PRO A 48 -2.278 -4.493 34.443 1.00 0.76 C ATOM 1548 O PRO A 48 -2.225 -4.848 33.282 1.00 0.80 O ATOM 1549 CB PRO A 48 -3.875 -6.368 35.003 1.00 1.22 C ATOM 1550 CG PRO A 48 -5.351 -6.369 35.243 1.00 1.86 C ATOM 1551 CD PRO A 48 -5.835 -4.936 34.986 1.00 1.76 C ATOM 0 HA PRO A 48 -3.035 -4.887 36.383 1.00 0.97 H new ATOM 0 HB2 PRO A 48 -3.644 -6.606 33.965 1.00 1.22 H new ATOM 0 HB3 PRO A 48 -3.374 -7.114 35.620 1.00 1.22 H new ATOM 0 HG2 PRO A 48 -5.852 -7.073 34.578 1.00 1.86 H new ATOM 0 HG3 PRO A 48 -5.578 -6.678 36.263 1.00 1.86 H new ATOM 0 HD2 PRO A 48 -6.271 -4.835 33.992 1.00 1.76 H new ATOM 0 HD3 PRO A 48 -6.602 -4.640 35.702 1.00 1.76 H new ATOM 1559 N LEU A 49 -1.379 -3.701 34.947 1.00 0.64 N ATOM 1560 CA LEU A 49 -0.262 -3.220 34.090 1.00 0.61 C ATOM 1561 C LEU A 49 0.477 -4.439 33.528 1.00 0.62 C ATOM 1562 O LEU A 49 1.353 -4.324 32.694 1.00 0.74 O ATOM 1563 CB LEU A 49 0.686 -2.352 34.922 1.00 0.60 C ATOM 1564 CG LEU A 49 -0.081 -1.154 35.501 1.00 0.62 C ATOM 1565 CD1 LEU A 49 0.857 -0.355 36.411 1.00 0.65 C ATOM 1566 CD2 LEU A 49 -0.600 -0.250 34.368 1.00 0.73 C ATOM 0 H LEU A 49 -1.367 -3.366 35.910 1.00 0.64 H new ATOM 0 HA LEU A 49 -0.645 -2.617 33.267 1.00 0.61 H new ATOM 0 HB2 LEU A 49 1.121 -2.942 35.729 1.00 0.60 H new ATOM 0 HB3 LEU A 49 1.512 -2.002 34.303 1.00 0.60 H new ATOM 0 HG LEU A 49 -0.935 -1.516 36.073 1.00 0.62 H new ATOM 0 HD11 LEU A 49 0.321 0.498 36.827 1.00 0.65 H new ATOM 0 HD12 LEU A 49 1.208 -0.993 37.222 1.00 0.65 H new ATOM 0 HD13 LEU A 49 1.710 -0.000 35.833 1.00 0.65 H new ATOM 0 HD21 LEU A 49 -1.141 0.594 34.795 1.00 0.73 H new ATOM 0 HD22 LEU A 49 0.242 0.118 33.782 1.00 0.73 H new ATOM 0 HD23 LEU A 49 -1.269 -0.821 33.724 1.00 0.73 H new ATOM 1578 N SER A 50 0.117 -5.607 33.988 1.00 0.59 N ATOM 1579 CA SER A 50 0.772 -6.858 33.507 1.00 0.67 C ATOM 1580 C SER A 50 0.545 -7.044 32.001 1.00 0.71 C ATOM 1581 O SER A 50 1.179 -7.867 31.373 1.00 0.78 O ATOM 1582 CB SER A 50 0.191 -8.052 34.266 1.00 0.75 C ATOM 1583 OG SER A 50 -1.219 -7.902 34.360 1.00 1.56 O ATOM 0 H SER A 50 -0.613 -5.749 34.686 1.00 0.59 H new ATOM 0 HA SER A 50 1.845 -6.788 33.688 1.00 0.67 H new ATOM 0 HB2 SER A 50 0.437 -8.981 33.751 1.00 0.75 H new ATOM 0 HB3 SER A 50 0.630 -8.114 35.262 1.00 0.75 H new ATOM 0 HG SER A 50 -1.598 -8.665 34.844 1.00 1.56 H new ATOM 1589 N LEU A 51 -0.330 -6.279 31.406 1.00 0.73 N ATOM 1590 CA LEU A 51 -0.549 -6.425 29.937 1.00 0.86 C ATOM 1591 C LEU A 51 0.625 -5.749 29.240 1.00 0.95 C ATOM 1592 O LEU A 51 0.875 -5.931 28.065 1.00 1.00 O ATOM 1593 CB LEU A 51 -1.847 -5.726 29.527 1.00 0.92 C ATOM 1594 CG LEU A 51 -3.059 -6.495 30.066 1.00 0.91 C ATOM 1595 CD1 LEU A 51 -4.296 -5.604 29.947 1.00 1.00 C ATOM 1596 CD2 LEU A 51 -3.279 -7.789 29.266 1.00 0.97 C ATOM 0 H LEU A 51 -0.897 -5.567 31.866 1.00 0.73 H new ATOM 0 HA LEU A 51 -0.622 -7.478 29.664 1.00 0.86 H new ATOM 0 HB2 LEU A 51 -1.855 -4.706 29.910 1.00 0.92 H new ATOM 0 HB3 LEU A 51 -1.904 -5.659 28.441 1.00 0.92 H new ATOM 0 HG LEU A 51 -2.882 -6.761 31.108 1.00 0.91 H new ATOM 0 HD11 LEU A 51 -5.167 -6.138 30.327 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -4.146 -4.694 30.528 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -4.458 -5.344 28.901 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -4.144 -8.320 29.664 1.00 0.97 H new ATOM 0 HD22 LEU A 51 -3.454 -7.544 28.219 1.00 0.97 H new ATOM 0 HD23 LEU A 51 -2.395 -8.422 29.347 1.00 0.97 H new ATOM 1608 N LYS A 52 1.345 -4.967 29.988 1.00 1.04 N ATOM 1609 CA LYS A 52 2.524 -4.245 29.451 1.00 1.18 C ATOM 1610 C LYS A 52 3.503 -5.220 28.795 1.00 1.05 C ATOM 1611 O LYS A 52 3.612 -6.366 29.180 1.00 1.06 O ATOM 1612 CB LYS A 52 3.208 -3.554 30.630 1.00 1.37 C ATOM 1613 CG LYS A 52 4.464 -2.809 30.179 1.00 1.66 C ATOM 1614 CD LYS A 52 4.095 -1.721 29.165 1.00 1.88 C ATOM 1615 CE LYS A 52 5.230 -0.708 29.087 1.00 2.14 C ATOM 1616 NZ LYS A 52 6.417 -1.336 28.444 1.00 2.88 N ATOM 0 H LYS A 52 1.159 -4.794 30.976 1.00 1.04 H new ATOM 0 HA LYS A 52 2.210 -3.525 28.696 1.00 1.18 H new ATOM 0 HB2 LYS A 52 2.515 -2.855 31.097 1.00 1.37 H new ATOM 0 HB3 LYS A 52 3.472 -4.294 31.386 1.00 1.37 H new ATOM 0 HG2 LYS A 52 4.960 -2.361 31.040 1.00 1.66 H new ATOM 0 HG3 LYS A 52 5.171 -3.509 29.733 1.00 1.66 H new ATOM 0 HD2 LYS A 52 3.918 -2.164 28.185 1.00 1.88 H new ATOM 0 HD3 LYS A 52 3.170 -1.227 29.463 1.00 1.88 H new ATOM 0 HE2 LYS A 52 4.913 0.165 28.516 1.00 2.14 H new ATOM 0 HE3 LYS A 52 5.488 -0.358 30.087 1.00 2.14 H new ATOM 0 HZ1 LYS A 52 7.059 -0.594 28.100 1.00 2.88 H new ATOM 0 HZ2 LYS A 52 6.914 -1.930 29.138 1.00 2.88 H new ATOM 0 HZ3 LYS A 52 6.108 -1.924 27.644 1.00 2.88 H new ATOM 1630 N THR A 53 4.243 -4.752 27.823 1.00 0.94 N ATOM 1631 CA THR A 53 5.253 -5.617 27.150 1.00 0.85 C ATOM 1632 C THR A 53 6.472 -4.779 26.782 1.00 0.79 C ATOM 1633 O THR A 53 6.367 -3.608 26.475 1.00 0.76 O ATOM 1634 CB THR A 53 4.670 -6.219 25.873 1.00 0.79 C ATOM 1635 OG1 THR A 53 5.730 -6.641 25.027 1.00 0.75 O ATOM 1636 CG2 THR A 53 3.819 -5.173 25.148 1.00 0.79 C ATOM 0 H THR A 53 4.189 -3.798 27.465 1.00 0.94 H new ATOM 0 HA THR A 53 5.536 -6.419 27.832 1.00 0.85 H new ATOM 0 HB THR A 53 4.043 -7.074 26.128 1.00 0.79 H new ATOM 0 HG1 THR A 53 5.708 -6.126 24.193 1.00 0.75 H new ATOM 0 HG21 THR A 53 3.406 -5.608 24.238 1.00 0.79 H new ATOM 0 HG22 THR A 53 3.006 -4.851 25.798 1.00 0.79 H new ATOM 0 HG23 THR A 53 4.439 -4.314 24.891 1.00 0.79 H new ATOM 1644 N ASP A 54 7.628 -5.378 26.787 1.00 0.81 N ATOM 1645 CA ASP A 54 8.864 -4.629 26.412 1.00 0.79 C ATOM 1646 C ASP A 54 9.057 -4.777 24.906 1.00 0.70 C ATOM 1647 O ASP A 54 9.958 -4.213 24.318 1.00 0.70 O ATOM 1648 CB ASP A 54 10.069 -5.218 27.147 1.00 0.92 C ATOM 1649 CG ASP A 54 9.967 -4.887 28.637 1.00 1.04 C ATOM 1650 OD1 ASP A 54 9.268 -3.945 28.968 1.00 1.54 O ATOM 1651 OD2 ASP A 54 10.597 -5.578 29.421 1.00 1.51 O ATOM 0 H ASP A 54 7.774 -6.357 27.035 1.00 0.81 H new ATOM 0 HA ASP A 54 8.771 -3.578 26.685 1.00 0.79 H new ATOM 0 HB2 ASP A 54 10.103 -6.298 27.005 1.00 0.92 H new ATOM 0 HB3 ASP A 54 10.993 -4.813 26.736 1.00 0.92 H new ATOM 1656 N VAL A 55 8.185 -5.526 24.287 1.00 0.67 N ATOM 1657 CA VAL A 55 8.248 -5.732 22.813 1.00 0.61 C ATOM 1658 C VAL A 55 7.054 -5.025 22.181 1.00 0.53 C ATOM 1659 O VAL A 55 5.925 -5.224 22.585 1.00 0.55 O ATOM 1660 CB VAL A 55 8.171 -7.229 22.503 1.00 0.66 C ATOM 1661 CG1 VAL A 55 8.084 -7.435 20.990 1.00 1.05 C ATOM 1662 CG2 VAL A 55 9.423 -7.926 23.039 1.00 1.25 C ATOM 0 H VAL A 55 7.418 -6.012 24.751 1.00 0.67 H new ATOM 0 HA VAL A 55 9.181 -5.331 22.416 1.00 0.61 H new ATOM 0 HB VAL A 55 7.286 -7.652 22.979 1.00 0.66 H new ATOM 0 HG11 VAL A 55 8.029 -8.501 20.771 1.00 1.05 H new ATOM 0 HG12 VAL A 55 7.192 -6.939 20.606 1.00 1.05 H new ATOM 0 HG13 VAL A 55 8.968 -7.011 20.514 1.00 1.05 H new ATOM 0 HG21 VAL A 55 9.369 -8.992 22.818 1.00 1.25 H new ATOM 0 HG22 VAL A 55 10.307 -7.502 22.564 1.00 1.25 H new ATOM 0 HG23 VAL A 55 9.486 -7.781 24.118 1.00 1.25 H new ATOM 1672 N ILE A 56 7.293 -4.212 21.188 1.00 0.49 N ATOM 1673 CA ILE A 56 6.178 -3.489 20.507 1.00 0.46 C ATOM 1674 C ILE A 56 6.163 -3.898 19.039 1.00 0.49 C ATOM 1675 O ILE A 56 7.170 -3.875 18.360 1.00 0.52 O ATOM 1676 CB ILE A 56 6.386 -1.977 20.640 1.00 0.45 C ATOM 1677 CG1 ILE A 56 6.282 -1.592 22.128 1.00 0.46 C ATOM 1678 CG2 ILE A 56 5.295 -1.265 19.829 1.00 0.47 C ATOM 1679 CD1 ILE A 56 6.975 -0.248 22.396 1.00 0.47 C ATOM 0 H ILE A 56 8.222 -4.015 20.815 1.00 0.49 H new ATOM 0 HA ILE A 56 5.224 -3.745 20.967 1.00 0.46 H new ATOM 0 HB ILE A 56 7.366 -1.684 20.264 1.00 0.45 H new ATOM 0 HG12 ILE A 56 5.233 -1.529 22.419 1.00 0.46 H new ATOM 0 HG13 ILE A 56 6.737 -2.369 22.742 1.00 0.46 H new ATOM 0 HG21 ILE A 56 5.426 -0.186 19.911 1.00 0.47 H new ATOM 0 HG22 ILE A 56 5.368 -1.561 18.782 1.00 0.47 H new ATOM 0 HG23 ILE A 56 4.315 -1.542 20.216 1.00 0.47 H new ATOM 0 HD11 ILE A 56 6.888 0.002 23.453 1.00 0.47 H new ATOM 0 HD12 ILE A 56 8.029 -0.322 22.126 1.00 0.47 H new ATOM 0 HD13 ILE A 56 6.501 0.531 21.799 1.00 0.47 H new ATOM 1691 N LYS A 57 5.020 -4.277 18.551 1.00 0.52 N ATOM 1692 CA LYS A 57 4.921 -4.697 17.131 1.00 0.58 C ATOM 1693 C LYS A 57 5.117 -3.470 16.246 1.00 0.58 C ATOM 1694 O LYS A 57 4.405 -2.492 16.360 1.00 0.57 O ATOM 1695 CB LYS A 57 3.541 -5.318 16.899 1.00 0.66 C ATOM 1696 CG LYS A 57 3.425 -5.853 15.469 1.00 0.76 C ATOM 1697 CD LYS A 57 2.186 -6.752 15.377 1.00 1.11 C ATOM 1698 CE LYS A 57 1.862 -7.076 13.915 1.00 1.69 C ATOM 1699 NZ LYS A 57 2.772 -8.147 13.424 1.00 2.50 N ATOM 0 H LYS A 57 4.147 -4.314 19.076 1.00 0.52 H new ATOM 0 HA LYS A 57 5.685 -5.435 16.887 1.00 0.58 H new ATOM 0 HB2 LYS A 57 3.376 -6.127 17.610 1.00 0.66 H new ATOM 0 HB3 LYS A 57 2.766 -4.573 17.078 1.00 0.66 H new ATOM 0 HG2 LYS A 57 3.345 -5.027 14.762 1.00 0.76 H new ATOM 0 HG3 LYS A 57 4.320 -6.415 15.203 1.00 0.76 H new ATOM 0 HD2 LYS A 57 2.358 -7.675 15.930 1.00 1.11 H new ATOM 0 HD3 LYS A 57 1.334 -6.256 15.842 1.00 1.11 H new ATOM 0 HE2 LYS A 57 0.824 -7.398 13.825 1.00 1.69 H new ATOM 0 HE3 LYS A 57 1.973 -6.182 13.301 1.00 1.69 H new ATOM 0 HZ1 LYS A 57 2.549 -8.364 12.432 1.00 2.50 H new ATOM 0 HZ2 LYS A 57 3.758 -7.824 13.495 1.00 2.50 H new ATOM 0 HZ3 LYS A 57 2.645 -9.002 14.002 1.00 2.50 H new ATOM 1713 N LYS A 58 6.061 -3.519 15.347 1.00 0.60 N ATOM 1714 CA LYS A 58 6.268 -2.354 14.446 1.00 0.62 C ATOM 1715 C LYS A 58 5.232 -2.459 13.337 1.00 0.63 C ATOM 1716 O LYS A 58 5.114 -3.481 12.689 1.00 0.66 O ATOM 1717 CB LYS A 58 7.671 -2.383 13.833 1.00 0.67 C ATOM 1718 CG LYS A 58 8.718 -2.108 14.914 1.00 0.71 C ATOM 1719 CD LYS A 58 10.100 -2.007 14.263 1.00 1.18 C ATOM 1720 CE LYS A 58 11.187 -2.007 15.341 1.00 1.41 C ATOM 1721 NZ LYS A 58 11.144 -0.726 16.098 1.00 2.10 N ATOM 0 H LYS A 58 6.691 -4.307 15.199 1.00 0.60 H new ATOM 0 HA LYS A 58 6.166 -1.424 15.005 1.00 0.62 H new ATOM 0 HB2 LYS A 58 7.856 -3.354 13.374 1.00 0.67 H new ATOM 0 HB3 LYS A 58 7.747 -1.636 13.042 1.00 0.67 H new ATOM 0 HG2 LYS A 58 8.482 -1.182 15.439 1.00 0.71 H new ATOM 0 HG3 LYS A 58 8.710 -2.906 15.656 1.00 0.71 H new ATOM 0 HD2 LYS A 58 10.252 -2.844 13.581 1.00 1.18 H new ATOM 0 HD3 LYS A 58 10.166 -1.096 13.669 1.00 1.18 H new ATOM 0 HE2 LYS A 58 11.039 -2.847 16.020 1.00 1.41 H new ATOM 0 HE3 LYS A 58 12.167 -2.137 14.882 1.00 1.41 H new ATOM 0 HZ1 LYS A 58 11.916 -0.709 16.795 1.00 2.10 H new ATOM 0 HZ2 LYS A 58 11.255 0.071 15.439 1.00 2.10 H new ATOM 0 HZ3 LYS A 58 10.231 -0.644 16.590 1.00 2.10 H new ATOM 1735 N ARG A 59 4.474 -1.425 13.111 1.00 0.63 N ATOM 1736 CA ARG A 59 3.443 -1.484 12.045 1.00 0.68 C ATOM 1737 C ARG A 59 4.009 -0.812 10.807 1.00 0.72 C ATOM 1738 O ARG A 59 5.038 -0.168 10.855 1.00 0.73 O ATOM 1739 CB ARG A 59 2.186 -0.755 12.525 1.00 0.67 C ATOM 1740 CG ARG A 59 1.807 -1.299 13.907 1.00 0.69 C ATOM 1741 CD ARG A 59 0.358 -0.952 14.254 1.00 1.16 C ATOM 1742 NE ARG A 59 -0.561 -1.405 13.171 1.00 1.85 N ATOM 1743 CZ ARG A 59 -1.819 -1.642 13.433 1.00 2.32 C ATOM 1744 NH1 ARG A 59 -2.253 -1.625 14.665 1.00 2.40 N ATOM 1745 NH2 ARG A 59 -2.640 -1.928 12.460 1.00 3.32 N ATOM 0 H ARG A 59 4.525 -0.542 13.619 1.00 0.63 H new ATOM 0 HA ARG A 59 3.178 -2.515 11.812 1.00 0.68 H new ATOM 0 HB2 ARG A 59 2.367 0.319 12.577 1.00 0.67 H new ATOM 0 HB3 ARG A 59 1.368 -0.906 11.821 1.00 0.67 H new ATOM 0 HG2 ARG A 59 1.940 -2.381 13.925 1.00 0.69 H new ATOM 0 HG3 ARG A 59 2.475 -0.883 14.661 1.00 0.69 H new ATOM 0 HD2 ARG A 59 0.080 -1.425 15.196 1.00 1.16 H new ATOM 0 HD3 ARG A 59 0.260 0.124 14.396 1.00 1.16 H new ATOM 0 HE ARG A 59 -0.207 -1.530 12.223 1.00 1.85 H new ATOM 0 HH11 ARG A 59 -1.608 -1.426 15.430 1.00 2.40 H new ATOM 0 HH12 ARG A 59 -3.236 -1.811 14.862 1.00 2.40 H new ATOM 0 HH21 ARG A 59 -2.299 -1.966 11.499 1.00 3.32 H new ATOM 0 HH22 ARG A 59 -3.623 -2.114 12.660 1.00 3.32 H new ATOM 1759 N ASN A 60 3.352 -0.943 9.699 1.00 0.78 N ATOM 1760 CA ASN A 60 3.871 -0.292 8.479 1.00 0.85 C ATOM 1761 C ASN A 60 3.569 1.193 8.637 1.00 0.85 C ATOM 1762 O ASN A 60 3.386 1.685 9.733 1.00 0.79 O ATOM 1763 CB ASN A 60 3.208 -0.873 7.195 1.00 0.96 C ATOM 1764 CG ASN A 60 2.182 -1.973 7.505 1.00 1.69 C ATOM 1765 OD1 ASN A 60 1.914 -2.305 8.641 1.00 2.44 O ATOM 1766 ND2 ASN A 60 1.579 -2.559 6.506 1.00 2.31 N ATOM 0 H ASN A 60 2.485 -1.468 9.586 1.00 0.78 H new ATOM 0 HA ASN A 60 4.940 -0.468 8.364 1.00 0.85 H new ATOM 0 HB2 ASN A 60 2.718 -0.068 6.648 1.00 0.96 H new ATOM 0 HB3 ASN A 60 3.982 -1.277 6.542 1.00 0.96 H new ATOM 0 HD21 ASN A 60 0.889 -3.289 6.684 1.00 2.31 H new ATOM 0 HD22 ASN A 60 1.798 -2.287 5.548 1.00 2.31 H new ATOM 1773 N ARG A 61 3.471 1.897 7.562 1.00 1.01 N ATOM 1774 CA ARG A 61 3.130 3.334 7.642 1.00 1.07 C ATOM 1775 C ARG A 61 2.296 3.650 6.410 1.00 1.31 C ATOM 1776 O ARG A 61 2.659 3.305 5.303 1.00 1.43 O ATOM 1777 CB ARG A 61 4.413 4.176 7.700 1.00 1.17 C ATOM 1778 CG ARG A 61 5.053 4.017 9.090 1.00 1.05 C ATOM 1779 CD ARG A 61 6.195 5.026 9.311 1.00 1.24 C ATOM 1780 NE ARG A 61 7.488 4.373 8.950 1.00 1.98 N ATOM 1781 CZ ARG A 61 8.614 5.027 9.058 1.00 2.56 C ATOM 1782 NH1 ARG A 61 8.627 6.223 9.583 1.00 2.67 N ATOM 1783 NH2 ARG A 61 9.732 4.474 8.673 1.00 3.57 N ATOM 0 H ARG A 61 3.613 1.538 6.618 1.00 1.01 H new ATOM 0 HA ARG A 61 2.565 3.569 8.544 1.00 1.07 H new ATOM 0 HB2 ARG A 61 5.110 3.855 6.926 1.00 1.17 H new ATOM 0 HB3 ARG A 61 4.184 5.224 7.508 1.00 1.17 H new ATOM 0 HG2 ARG A 61 4.292 4.154 9.859 1.00 1.05 H new ATOM 0 HG3 ARG A 61 5.437 3.003 9.200 1.00 1.05 H new ATOM 0 HD2 ARG A 61 6.037 5.915 8.700 1.00 1.24 H new ATOM 0 HD3 ARG A 61 6.214 5.353 10.351 1.00 1.24 H new ATOM 0 HE ARG A 61 7.492 3.409 8.617 1.00 1.98 H new ATOM 0 HH11 ARG A 61 7.758 6.646 9.909 1.00 2.67 H new ATOM 0 HH12 ARG A 61 9.506 6.733 9.667 1.00 2.67 H new ATOM 0 HH21 ARG A 61 9.728 3.530 8.287 1.00 3.57 H new ATOM 0 HH22 ARG A 61 10.610 4.986 8.758 1.00 3.57 H new ATOM 1797 N ASN A 62 1.173 4.286 6.579 1.00 1.49 N ATOM 1798 CA ASN A 62 0.333 4.588 5.392 1.00 1.77 C ATOM 1799 C ASN A 62 1.022 5.695 4.606 1.00 2.12 C ATOM 1800 O ASN A 62 0.405 6.440 3.871 1.00 2.68 O ATOM 1801 CB ASN A 62 -1.055 5.050 5.833 1.00 2.21 C ATOM 1802 CG ASN A 62 -1.935 5.262 4.600 1.00 2.87 C ATOM 1803 OD1 ASN A 62 -1.622 4.783 3.528 1.00 3.41 O ATOM 1804 ND2 ASN A 62 -3.028 5.966 4.705 1.00 3.50 N ATOM 0 H ASN A 62 0.805 4.606 7.475 1.00 1.49 H new ATOM 0 HA ASN A 62 0.215 3.697 4.775 1.00 1.77 H new ATOM 0 HB2 ASN A 62 -1.505 4.307 6.492 1.00 2.21 H new ATOM 0 HB3 ASN A 62 -0.978 5.976 6.402 1.00 2.21 H new ATOM 0 HD21 ASN A 62 -3.620 6.114 3.887 1.00 3.50 H new ATOM 0 HD22 ASN A 62 -3.291 6.368 5.605 1.00 3.50 H new ATOM 1811 N SER A 63 2.313 5.793 4.764 1.00 2.34 N ATOM 1812 CA SER A 63 3.082 6.828 4.041 1.00 2.93 C ATOM 1813 C SER A 63 3.349 6.347 2.621 1.00 3.61 C ATOM 1814 O SER A 63 3.048 5.231 2.245 1.00 4.20 O ATOM 1815 CB SER A 63 4.421 7.073 4.755 1.00 3.48 C ATOM 1816 OG SER A 63 5.490 6.552 3.973 1.00 4.08 O ATOM 0 H SER A 63 2.868 5.190 5.371 1.00 2.34 H new ATOM 0 HA SER A 63 2.512 7.757 4.018 1.00 2.93 H new ATOM 0 HB2 SER A 63 4.566 8.141 4.919 1.00 3.48 H new ATOM 0 HB3 SER A 63 4.412 6.598 5.736 1.00 3.48 H new ATOM 0 HG SER A 63 6.340 6.713 4.433 1.00 4.08 H new ATOM 1822 N ALA A 64 3.921 7.208 1.849 1.00 4.04 N ATOM 1823 CA ALA A 64 4.258 6.895 0.443 1.00 5.05 C ATOM 1824 C ALA A 64 4.897 8.163 -0.098 1.00 5.47 C ATOM 1825 O ALA A 64 6.079 8.401 0.040 1.00 5.72 O ATOM 1826 CB ALA A 64 2.974 6.577 -0.333 1.00 5.77 C ATOM 0 H ALA A 64 4.179 8.150 2.142 1.00 4.04 H new ATOM 0 HA ALA A 64 4.920 6.034 0.352 1.00 5.05 H new ATOM 0 HB1 ALA A 64 3.223 6.346 -1.369 1.00 5.77 H new ATOM 0 HB2 ALA A 64 2.478 5.719 0.121 1.00 5.77 H new ATOM 0 HB3 ALA A 64 2.308 7.439 -0.303 1.00 5.77 H new ATOM 1832 N ASN A 65 4.069 8.998 -0.646 1.00 5.94 N ATOM 1833 CA ASN A 65 4.502 10.318 -1.162 1.00 6.69 C ATOM 1834 C ASN A 65 3.245 10.976 -1.715 1.00 7.45 C ATOM 1835 O ASN A 65 2.683 11.883 -1.132 1.00 7.90 O ATOM 1836 CB ASN A 65 5.543 10.171 -2.273 1.00 7.16 C ATOM 1837 CG ASN A 65 6.126 11.549 -2.584 1.00 7.60 C ATOM 1838 OD1 ASN A 65 6.886 12.088 -1.803 1.00 7.88 O ATOM 1839 ND2 ASN A 65 5.791 12.152 -3.688 1.00 7.99 N ATOM 0 H ASN A 65 3.073 8.812 -0.761 1.00 5.94 H new ATOM 0 HA ASN A 65 4.967 10.909 -0.373 1.00 6.69 H new ATOM 0 HB2 ASN A 65 6.333 9.488 -1.962 1.00 7.16 H new ATOM 0 HB3 ASN A 65 5.085 9.744 -3.165 1.00 7.16 H new ATOM 0 HD21 ASN A 65 6.166 13.077 -3.898 1.00 7.99 H new ATOM 0 HD22 ASN A 65 5.153 11.699 -4.343 1.00 7.99 H new ATOM 1846 N SER A 66 2.782 10.479 -2.827 1.00 7.89 N ATOM 1847 CA SER A 66 1.535 11.008 -3.438 1.00 8.89 C ATOM 1848 C SER A 66 1.269 10.231 -4.736 1.00 9.40 C ATOM 1849 O SER A 66 0.782 9.116 -4.641 1.00 9.63 O ATOM 1850 CB SER A 66 1.680 12.520 -3.691 1.00 9.43 C ATOM 1851 OG SER A 66 3.030 12.901 -3.467 1.00 9.67 O ATOM 1852 OXT SER A 66 1.571 10.752 -5.797 1.00 9.78 O ATOM 0 H SER A 66 3.222 9.718 -3.344 1.00 7.89 H new ATOM 0 HA SER A 66 0.685 10.874 -2.769 1.00 8.89 H new ATOM 0 HB2 SER A 66 1.386 12.760 -4.713 1.00 9.43 H new ATOM 0 HB3 SER A 66 1.017 13.077 -3.029 1.00 9.43 H new ATOM 0 HG SER A 66 3.129 13.863 -3.628 1.00 9.67 H new TER 1858 SER A 66 HETATM 1859 ZN ZN A 67 3.320 3.681 30.295 1.00 0.37 ZN CONECT 988 1859 CONECT 1026 1859 CONECT 1320 1859 CONECT 1354 1859 CONECT 1859 988 1026 1320 1354 END