HEADER TRANSCRIPTION/DNA 23-JUL-01 1J47 TITLE 3D SOLUTION NMR STRUCTURE OF THE M9I MUTANT OF THE HMG-BOX TITLE 2 DOMAIN OF THE HUMAN MALE SEX DETERMINING FACTOR SRY TITLE 3 COMPLEXED TO DNA COMPND MOL_ID: 1; COMPND 2 MOLECULE: SEX-DETERMINING REGION Y PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: HMG-BOX DOMAIN; COMPND 5 SYNONYM: SRY; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES; COMPND 8 MOL_ID: 2; COMPND 9 MOLECULE: 5'-D(*CP*CP*TP*GP*CP*AP*CP*AP*AP*AP*CP*AP*CP*C)- COMPND 10 3'; COMPND 11 CHAIN: B; COMPND 12 ENGINEERED: YES; COMPND 13 MOL_ID: 3; COMPND 14 MOLECULE: 5'-D(*GP*GP*TP*GP*TP*TP*TP*GP*TP*GP*CP*AP*GP*G)- COMPND 15 3'; COMPND 16 CHAIN: C; COMPND 17 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR: PET21A; SOURCE 9 MOL_ID: 2; SOURCE 10 SYNTHETIC: YES; SOURCE 11 MOL_ID: 3; SOURCE 12 SYNTHETIC: YES KEYWDS MALE SEX DETERMINING FACTOR, SRY, SEX-REVERSAL MUTATION, KEYWDS 2 DNA BENDING MUTANT, DIPOLAR COUPLINGS, MULTIDIMENSIONAL NMR, KEYWDS 3 TRANSCRIPTION/DNA COMPLEX EXPDTA SOLUTION NMR AUTHOR G.M.CLORE,E.C.MURPHY REVDAT 3 24-FEB-09 1J47 1 VERSN REVDAT 2 01-APR-03 1J47 1 JRNL REVDAT 1 03-OCT-01 1J47 0 JRNL AUTH E.C.MURPHY,V.B.ZHURKIN,J.M.LOUIS,G.CORNILESCU, JRNL AUTH 2 G.M.CLORE JRNL TITL STRUCTURAL BASIS FOR SRY-DEPENDENT 46-X,Y SEX JRNL TITL 2 REVERSAL: MODULATION OF DNA BENDING BY A NATURALLY JRNL TITL 3 OCCURRING POINT MUTATION. JRNL REF J.MOL.BIOL. V. 312 481 2001 JRNL REFN ISSN 0022-2836 JRNL PMID 11563911 JRNL DOI 10.1006/JMBI.2001.4977 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR NIH VERSION (HTTP://NMR.CIT.NIH.GOV) REMARK 3 (HTTP://NMR.CIT.NIH.GOV) REMARK 3 AUTHORS : CLORE, KUSZEWSKI, SCHWIETERS REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 THE STRUCTURE WAS CALCULATED BY SIMULATED ANNEALING IN REMARK 3 TORSION ANGLE SPACE (C. SCHWIETERS AND G.M. CLORE. J. MAGN. REMARK 3 RESON., IN PRESS). THE TARGET FUNCTION COMPRISES TERMS FOR REMARK 3 NOE RESTRAINTS, TORSION ANGLE RESTRAINTS, CARBON CHEMICAL REMARK 3 SHIFT RESTRAINTS (KUSZWESKI ET AL. J. MAGN. RESON. SERIES B REMARK 3 106, 92-96 (1995), J COUPLING RESTRAINTS (GARRETT ET AL. J. REMARK 3 MAGN. RESON. SERIES B 104, 99, 103 (1994); DIPOLAR COUPLING REMARK 3 RESTRAINTS (CLORE ET AL. J.MAGN.RESON. 131, 159-162 (1998); REMARK 3 J.MAGN.RESON. 133, 216-221(1998)), AND RADIUS OF GYRATION REMARK 3 (KUSZEWSKI ET AL. JACS 121, 2337 (1999)). THE NON-BONDED REMARK 3 CONTACTS ARE REPRESENTED BY A QUARTIC VAN DER WAALS REMARK 3 REPULSION TERM (NILGES ET AL. (1988) FEBS LETT. 229, REMARK 3 129-136); THE DELPHIC TORSION ANGLE DATABASE POTENTIAL REMARK 3 (KUSZEWSKI & C J. MAGN. RESON. 146, 249 (2000)); AND THE REMARK 3 DELPHIC BASE-BASE POSITIONAL DATABASE POTENTIAL (KUSZEWSKI REMARK 3 ET AL. JACS 123, 3903 (2001)). IN THIS ENTRY THE SECOND TO REMARK 3 LAST COLUMN REPRESENTS THE AVERAGE RMS DIFFERENCE BETWEEN REMARK 3 THE INDIVIDUAL SIMULATED ANNEALING STRUCTURES (400 FOR THE REMARK 3 WILD TYPE COMPLEX) AND THE MEAN COORDINATE POSITIONS REMARK 3 (OBTAINED BY BEST FITTING TO RESIDUES 4-81 OF THE PROTEIN REMARK 3 AND 101-128 OF THE DNA). REMARK 3 REMARK 3 THE ORIENTATION PROVIDED FOR THE MUTANT (1J47) RELATIVE REMARK 3 TO THE WILD TYPE (1J46) WAS OBTAINED BY BEST-FITTING TO REMARK 3 RESIDUES 4-81 OF THE PROTEIN. REMARK 3 REMARK 3 WILD TYPE M9I MUTANT REMARK 3 PDB ID: 1J46 1J47 REMARK 3 REMARK 3 DEVIATIONS FROM IDEALIZED GEOMETRY: REMARK 3 BONDS 0.003 A 0.003 A REMARK 3 ANGLES 0.81 DEG 0.80 DEG REMARK 3 IMPROPERS 0.79 DEG 0.79 DEG REMARK 3 REMARK 3 DEVIATIONS FROM EXPT RESTRAINTS REMARK 3 NOES (1795/1693) 0.04 A 0.03 A REMARK 3 TORSION ANGLES (433/429) 0.29 DEG 0.30 DEG REMARK 3 3JHNA COUPLINGS (70/66) 0.84 HZ 0.90 HZ REMARK 3 13C CHEMICAL SHIFTS (165/165) 0.99 PPM 0.95 PPM REMARK 3 REMARK 3 HETERONUCLEAR DIPOLAR COUPLING R-FACTORS REMARK 3 (CLORE AND GARRETT J. AM. CHEM. SOC. 121, 9008-9012): REMARK 3 REMARK 3 PROTEIN 1DNH (71/66) 5.5% 7.6% REMARK 3 PROTEIN 1DCH (67/67) 6.3% 10.0% REMARK 3 PROTEIN 1DNC' (68/62) 18.9% 28.9% REMARK 3 PROTEIN 2DHNC'(68/62) 18.8% 21.6% REMARK 3 DNA 1DNH (9/10) 10.2% 16.1% REMARK 3 DNA 1DCH (37/33) 11.2% 10.7% REMARK 3 DNA 1H-1H DIPOLAR REMARK 3 REMARK 3 COUPLINGS (55/53) 0.56 HZ 0.75 HZ REMARK 3 % RESIDUES IN MOST FAVORABLE REMARK 3 REGION OF RAMACHADRAN MAP 94.7% 94.7% REMARK 4 REMARK 4 1J47 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 23-JUL-01. REMARK 100 THE RCSB ID CODE IS RCSB001591. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 308.00 REMARK 210 PH : 7.2 REMARK 210 IONIC STRENGTH : 50 MM SODIUM PHOSPHATE REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ, 750 MHZ REMARK 210 SPECTROMETER MODEL : DMX500, DRX600, DRX750 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 400 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : RESTRAINED REGULARIZED MEAN REMARK 210 STRUCTURE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE FOLLOWING EXPERIMENTS WERE CONDUCTED: (1) DOUBLE REMARK 210 AND TRIPLE RESONANCE FOR ASSIGNMENT OF PROTEIN; (2) DOUBLE REMARK 210 RESONANCE AND HETERONUCLEAR FILTERED FOR DNA; (3) QUANTITATIVE REMARK 210 J CORRELATION FOR COUPLING CONSTANTS; (4) 2D, 3D AND 4D REMARK 210 HETERONUCLEAR SEPARATED AND FILTERED NOE EXPERIMENTS; (4) 2D REMARK 210 AND 3D DOUBLE AND TRIPLE RESONANCE EXPERIMENTS FOR DIPOLAR REMARK 210 COUPLING MEASUREMENTS IN LIQUID CRYSTALLINE MEDIUM OF 4.5-5% REMARK 210 3:1 DMPC:DHPC 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 B 103 C5 DT B 103 C7 0.037 REMARK 500 DT C 119 C5 DT C 119 C7 0.037 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 DT C 117 C6 - C5 - C7 ANGL. DEV. = -5.9 DEGREES REMARK 500 DT C 119 C6 - C5 - C7 ANGL. DEV. = -4.4 DEGREES REMARK 500 DT C 121 C6 - C5 - C7 ANGL. DEV. = -4.6 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ALA A 80 93.48 -46.23 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1J46 RELATED DB: PDB REMARK 900 WILD TYPE HMG-BOX DOMAIN OF THE HUMAN MALE SEX DETERMINING REMARK 900 FACTOR SRY COMPLEXED TO DNA DBREF 1J47 A 2 85 UNP Q05066 SRY_HUMAN 57 140 DBREF 1J47 B 101 114 PDB 1J47 1J47 101 114 DBREF 1J47 C 115 128 PDB 1J47 1J47 115 128 SEQADV 1J47 MET A 1 UNP Q05066 CLONING ARTIFACT SEQADV 1J47 ILE A 9 UNP Q05066 MET 64 ENGINEERED SEQRES 1 A 85 MET GLN ASP ARG VAL LYS ARG PRO ILE ASN ALA PHE ILE SEQRES 2 A 85 VAL TRP SER ARG ASP GLN ARG ARG LYS MET ALA LEU GLU SEQRES 3 A 85 ASN PRO ARG MET ARG ASN SER GLU ILE SER LYS GLN LEU SEQRES 4 A 85 GLY TYR GLN TRP LYS MET LEU THR GLU ALA GLU LYS TRP SEQRES 5 A 85 PRO PHE PHE GLN GLU ALA GLN LYS LEU GLN ALA MET HIS SEQRES 6 A 85 ARG GLU LYS TYR PRO ASN TYR LYS TYR ARG PRO ARG ARG SEQRES 7 A 85 LYS ALA LYS MET LEU PRO LYS SEQRES 1 B 14 DC DC DT DG DC DA DC DA DA DA DC DA DC SEQRES 2 B 14 DC SEQRES 1 C 14 DG DG DT DG DT DT DT DG DT DG DC DA DG SEQRES 2 C 14 DG HELIX 1 1 ASN A 10 ASN A 27 1 18 HELIX 2 2 ARG A 31 LYS A 44 1 14 HELIX 3 3 THR A 47 TYR A 69 1 23 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 ATOM 1 N MET A 1 -0.710 19.206 18.846 1.00 1.81 N ATOM 2 CA MET A 1 0.125 18.115 18.269 1.00 1.22 C ATOM 3 C MET A 1 -0.611 16.782 18.404 1.00 1.09 C ATOM 4 O MET A 1 -1.112 16.439 19.457 1.00 1.25 O ATOM 5 CB MET A 1 1.463 18.040 19.012 1.00 1.97 C ATOM 6 CG MET A 1 2.111 19.433 19.078 1.00 2.53 C ATOM 7 SD MET A 1 3.863 19.304 18.638 1.00 3.53 S ATOM 8 CE MET A 1 4.356 20.971 19.144 1.00 4.17 C ATOM 9 H1 MET A 1 -0.681 20.034 18.219 1.00 2.27 H ATOM 10 H2 MET A 1 -0.340 19.466 19.783 1.00 2.29 H ATOM 11 H3 MET A 1 -1.692 18.879 18.939 1.00 2.29 H ATOM 12 HA MET A 1 0.307 18.318 17.224 1.00 1.61 H ATOM 13 HB2 MET A 1 1.293 17.672 20.015 1.00 2.53 H ATOM 14 HB3 MET A 1 2.122 17.362 18.491 1.00 2.48 H ATOM 15 HG2 MET A 1 1.618 20.104 18.389 1.00 2.85 H ATOM 16 HG3 MET A 1 2.024 19.823 20.082 1.00 2.82 H ATOM 17 HE1 MET A 1 3.477 21.546 19.400 1.00 4.43 H ATOM 18 HE2 MET A 1 4.876 21.455 18.333 1.00 4.56 H ATOM 19 HE3 MET A 1 5.012 20.904 20.000 1.00 4.46 H ATOM 20 N GLN A 2 -0.684 16.031 17.342 1.00 1.03 N ATOM 21 CA GLN A 2 -1.390 14.720 17.392 1.00 1.05 C ATOM 22 C GLN A 2 -0.377 13.580 17.307 1.00 0.84 C ATOM 23 O GLN A 2 0.528 13.594 16.496 1.00 0.82 O ATOM 24 CB GLN A 2 -2.344 14.617 16.202 1.00 1.35 C ATOM 25 CG GLN A 2 -3.385 15.734 16.279 1.00 2.09 C ATOM 26 CD GLN A 2 -4.294 15.664 15.051 1.00 2.73 C ATOM 27 OE1 GLN A 2 -3.963 15.025 14.072 1.00 3.09 O ATOM 28 NE2 GLN A 2 -5.434 16.297 15.061 1.00 3.52 N ATOM 29 H GLN A 2 -0.274 16.333 16.504 1.00 1.15 H ATOM 30 HA GLN A 2 -1.950 14.624 18.309 1.00 1.19 H ATOM 31 HB2 GLN A 2 -1.784 14.709 15.283 1.00 1.66 H ATOM 32 HB3 GLN A 2 -2.844 13.661 16.225 1.00 1.75 H ATOM 33 HG2 GLN A 2 -3.977 15.613 17.175 1.00 2.57 H ATOM 34 HG3 GLN A 2 -2.885 16.690 16.301 1.00 2.58 H ATOM 35 HE21 GLN A 2 -5.700 16.814 15.851 1.00 3.76 H ATOM 36 HE22 GLN A 2 -6.023 16.259 14.279 1.00 4.15 H ATOM 37 N ASP A 3 -0.547 12.571 18.117 1.00 0.83 N ATOM 38 CA ASP A 3 0.375 11.406 18.061 1.00 0.73 C ATOM 39 C ASP A 3 -0.303 10.314 17.236 1.00 0.63 C ATOM 40 O ASP A 3 -1.353 9.819 17.596 1.00 0.71 O ATOM 41 CB ASP A 3 0.650 10.888 19.475 1.00 0.93 C ATOM 42 CG ASP A 3 1.472 11.922 20.248 1.00 1.06 C ATOM 43 OD1 ASP A 3 1.958 12.850 19.622 1.00 0.98 O ATOM 44 OD2 ASP A 3 1.602 11.767 21.451 1.00 1.27 O ATOM 45 H ASP A 3 -1.304 12.563 18.740 1.00 0.97 H ATOM 46 HA ASP A 3 1.304 11.697 17.590 1.00 0.72 H ATOM 47 HB2 ASP A 3 -0.287 10.719 19.985 1.00 1.04 H ATOM 48 HB3 ASP A 3 1.201 9.962 19.419 1.00 0.95 H ATOM 49 N ARG A 4 0.270 9.938 16.131 1.00 0.54 N ATOM 50 CA ARG A 4 -0.368 8.888 15.293 1.00 0.50 C ATOM 51 C ARG A 4 0.131 7.517 15.744 1.00 0.47 C ATOM 52 O ARG A 4 1.249 7.360 16.192 1.00 0.46 O ATOM 53 CB ARG A 4 -0.023 9.131 13.823 1.00 0.54 C ATOM 54 CG ARG A 4 -0.935 8.295 12.927 1.00 0.62 C ATOM 55 CD ARG A 4 -0.588 8.569 11.469 1.00 1.04 C ATOM 56 NE ARG A 4 -1.599 7.839 10.624 1.00 1.66 N ATOM 57 CZ ARG A 4 -1.265 6.984 9.711 1.00 2.09 C ATOM 58 NH1 ARG A 4 -0.009 6.687 9.513 1.00 2.25 N ATOM 59 NH2 ARG A 4 -2.190 6.410 8.991 1.00 3.05 N ATOM 60 H ARG A 4 1.112 10.349 15.844 1.00 0.57 H ATOM 61 HA ARG A 4 -1.438 8.905 15.435 1.00 0.55 H ATOM 62 HB2 ARG A 4 -0.156 10.178 13.593 1.00 0.57 H ATOM 63 HB3 ARG A 4 1.005 8.853 13.646 1.00 0.56 H ATOM 64 HG2 ARG A 4 -0.788 7.246 13.142 1.00 0.93 H ATOM 65 HG3 ARG A 4 -1.964 8.561 13.108 1.00 0.94 H ATOM 66 HD2 ARG A 4 -0.695 9.601 11.252 1.00 1.70 H ATOM 67 HD3 ARG A 4 0.459 8.288 11.294 1.00 1.50 H ATOM 68 HE ARG A 4 -2.550 8.030 10.762 1.00 2.33 H ATOM 69 HH11 ARG A 4 0.701 7.119 10.067 1.00 2.08 H ATOM 70 HH12 ARG A 4 0.242 6.023 8.808 1.00 2.99 H ATOM 71 HH21 ARG A 4 -3.152 6.631 9.144 1.00 3.50 H ATOM 72 HH22 ARG A 4 -1.935 5.748 8.286 1.00 3.56 H ATOM 73 N VAL A 5 -0.717 6.526 15.658 1.00 0.46 N ATOM 74 CA VAL A 5 -0.337 5.161 16.108 1.00 0.43 C ATOM 75 C VAL A 5 0.135 4.323 14.923 1.00 0.40 C ATOM 76 O VAL A 5 -0.497 4.269 13.886 1.00 0.41 O ATOM 77 CB VAL A 5 -1.562 4.490 16.734 1.00 0.43 C ATOM 78 CG1 VAL A 5 -1.175 3.113 17.273 1.00 0.39 C ATOM 79 CG2 VAL A 5 -2.091 5.356 17.882 1.00 0.49 C ATOM 80 H VAL A 5 -1.622 6.684 15.316 1.00 0.47 H ATOM 81 HA VAL A 5 0.453 5.216 16.842 1.00 0.44 H ATOM 82 HB VAL A 5 -2.331 4.377 15.984 1.00 0.44 H ATOM 83 HG11 VAL A 5 -2.031 2.661 17.752 1.00 1.08 H ATOM 84 HG12 VAL A 5 -0.375 3.220 17.991 1.00 1.12 H ATOM 85 HG13 VAL A 5 -0.846 2.487 16.457 1.00 1.07 H ATOM 86 HG21 VAL A 5 -3.133 5.128 18.053 1.00 1.12 H ATOM 87 HG22 VAL A 5 -1.988 6.399 17.624 1.00 1.16 H ATOM 88 HG23 VAL A 5 -1.525 5.149 18.778 1.00 1.13 H ATOM 89 N LYS A 6 1.255 3.674 15.077 1.00 0.39 N ATOM 90 CA LYS A 6 1.788 2.842 13.968 1.00 0.38 C ATOM 91 C LYS A 6 1.283 1.408 14.130 1.00 0.35 C ATOM 92 O LYS A 6 1.107 0.919 15.229 1.00 0.38 O ATOM 93 CB LYS A 6 3.317 2.867 14.005 1.00 0.40 C ATOM 94 CG LYS A 6 3.792 4.320 13.950 1.00 0.45 C ATOM 95 CD LYS A 6 5.303 4.365 13.725 1.00 0.95 C ATOM 96 CE LYS A 6 5.793 5.806 13.873 1.00 1.31 C ATOM 97 NZ LYS A 6 7.119 5.953 13.209 1.00 2.03 N ATOM 98 H LYS A 6 1.746 3.758 15.920 1.00 0.40 H ATOM 99 HA LYS A 6 1.444 3.239 13.024 1.00 0.40 H ATOM 100 HB2 LYS A 6 3.664 2.406 14.920 1.00 0.41 H ATOM 101 HB3 LYS A 6 3.709 2.328 13.156 1.00 0.41 H ATOM 102 HG2 LYS A 6 3.291 4.831 13.142 1.00 0.92 H ATOM 103 HG3 LYS A 6 3.557 4.807 14.884 1.00 1.11 H ATOM 104 HD2 LYS A 6 5.796 3.737 14.451 1.00 1.56 H ATOM 105 HD3 LYS A 6 5.526 4.013 12.730 1.00 1.49 H ATOM 106 HE2 LYS A 6 5.085 6.478 13.413 1.00 1.80 H ATOM 107 HE3 LYS A 6 5.888 6.046 14.922 1.00 1.75 H ATOM 108 HZ1 LYS A 6 7.104 5.465 12.291 1.00 2.47 H ATOM 109 HZ2 LYS A 6 7.858 5.537 13.812 1.00 2.51 H ATOM 110 HZ3 LYS A 6 7.321 6.961 13.059 1.00 2.49 H ATOM 111 N ARG A 7 1.029 0.739 13.041 1.00 0.35 N ATOM 112 CA ARG A 7 0.512 -0.656 13.119 1.00 0.34 C ATOM 113 C ARG A 7 1.558 -1.587 13.741 1.00 0.34 C ATOM 114 O ARG A 7 2.742 -1.424 13.525 1.00 0.42 O ATOM 115 CB ARG A 7 0.223 -1.169 11.708 1.00 0.37 C ATOM 116 CG ARG A 7 -0.660 -0.182 10.947 1.00 0.42 C ATOM 117 CD ARG A 7 -0.660 -0.568 9.467 1.00 0.54 C ATOM 118 NE ARG A 7 -0.937 -2.031 9.357 1.00 1.21 N ATOM 119 CZ ARG A 7 -1.134 -2.581 8.190 1.00 1.80 C ATOM 120 NH1 ARG A 7 -1.002 -1.871 7.104 1.00 2.25 N ATOM 121 NH2 ARG A 7 -1.440 -3.846 8.108 1.00 2.52 N ATOM 122 H ARG A 7 1.164 1.161 12.167 1.00 0.37 H ATOM 123 HA ARG A 7 -0.402 -0.672 13.690 1.00 0.35 H ATOM 124 HB2 ARG A 7 1.156 -1.294 11.177 1.00 0.44 H ATOM 125 HB3 ARG A 7 -0.281 -2.122 11.771 1.00 0.47 H ATOM 126 HG2 ARG A 7 -1.668 -0.224 11.334 1.00 0.48 H ATOM 127 HG3 ARG A 7 -0.268 0.818 11.058 1.00 0.55 H ATOM 128 HD2 ARG A 7 -1.423 -0.022 8.948 1.00 0.78 H ATOM 129 HD3 ARG A 7 0.305 -0.332 9.035 1.00 1.01 H ATOM 130 HE ARG A 7 -0.997 -2.578 10.168 1.00 1.77 H ATOM 131 HH11 ARG A 7 -0.750 -0.907 7.168 1.00 2.17 H ATOM 132 HH12 ARG A 7 -1.154 -2.291 6.210 1.00 3.01 H ATOM 133 HH21 ARG A 7 -1.523 -4.396 8.940 1.00 2.78 H ATOM 134 HH22 ARG A 7 -1.591 -4.267 7.214 1.00 3.06 H ATOM 135 N PRO A 8 1.124 -2.594 14.462 1.00 0.29 N ATOM 136 CA PRO A 8 2.049 -3.596 15.058 1.00 0.29 C ATOM 137 C PRO A 8 2.810 -4.337 13.956 1.00 0.28 C ATOM 138 O PRO A 8 2.276 -4.622 12.902 1.00 0.28 O ATOM 139 CB PRO A 8 1.143 -4.555 15.847 1.00 0.32 C ATOM 140 CG PRO A 8 -0.259 -4.280 15.400 1.00 0.52 C ATOM 141 CD PRO A 8 -0.283 -2.883 14.783 1.00 0.33 C ATOM 142 HA PRO A 8 2.769 -3.146 15.723 1.00 0.30 H ATOM 143 HB2 PRO A 8 1.408 -5.583 15.633 1.00 0.54 H ATOM 144 HB3 PRO A 8 1.235 -4.363 16.905 1.00 0.54 H ATOM 145 HG2 PRO A 8 -0.563 -5.013 14.666 1.00 0.89 H ATOM 146 HG3 PRO A 8 -0.930 -4.309 16.247 1.00 0.84 H ATOM 147 HD2 PRO A 8 -0.885 -2.883 13.884 1.00 0.39 H ATOM 148 HD3 PRO A 8 -0.658 -2.161 15.492 1.00 0.34 H ATOM 149 N ILE A 9 4.059 -4.626 14.184 1.00 0.27 N ATOM 150 CA ILE A 9 4.868 -5.318 13.144 1.00 0.26 C ATOM 151 C ILE A 9 4.664 -6.833 13.240 1.00 0.26 C ATOM 152 O ILE A 9 4.432 -7.375 14.304 1.00 0.27 O ATOM 153 CB ILE A 9 6.337 -4.951 13.338 1.00 0.27 C ATOM 154 CG1 ILE A 9 6.820 -5.441 14.709 1.00 0.27 C ATOM 155 CG2 ILE A 9 6.487 -3.430 13.253 1.00 0.27 C ATOM 156 CD1 ILE A 9 8.322 -5.184 14.848 1.00 0.29 C ATOM 157 H ILE A 9 4.473 -4.369 15.034 1.00 0.27 H ATOM 158 HA ILE A 9 4.547 -4.982 12.169 1.00 0.27 H ATOM 159 HB ILE A 9 6.920 -5.408 12.561 1.00 0.37 H ATOM 160 HG12 ILE A 9 6.289 -4.911 15.487 1.00 0.29 H ATOM 161 HG13 ILE A 9 6.629 -6.500 14.802 1.00 0.39 H ATOM 162 HG21 ILE A 9 7.504 -3.180 12.982 1.00 1.05 H ATOM 163 HG22 ILE A 9 6.251 -2.992 14.212 1.00 1.06 H ATOM 164 HG23 ILE A 9 5.809 -3.048 12.503 1.00 1.05 H ATOM 165 HD11 ILE A 9 8.611 -5.296 15.883 1.00 1.08 H ATOM 166 HD12 ILE A 9 8.551 -4.180 14.519 1.00 1.07 H ATOM 167 HD13 ILE A 9 8.867 -5.893 14.245 1.00 1.03 H ATOM 168 N ASN A 10 4.684 -7.509 12.120 1.00 0.26 N ATOM 169 CA ASN A 10 4.420 -8.978 12.123 1.00 0.26 C ATOM 170 C ASN A 10 5.658 -9.795 12.517 1.00 0.25 C ATOM 171 O ASN A 10 6.711 -9.273 12.830 1.00 0.25 O ATOM 172 CB ASN A 10 3.942 -9.406 10.737 1.00 0.27 C ATOM 173 CG ASN A 10 2.673 -8.632 10.379 1.00 0.28 C ATOM 174 OD1 ASN A 10 1.755 -8.547 11.170 1.00 0.30 O ATOM 175 ND2 ASN A 10 2.587 -8.049 9.215 1.00 0.39 N ATOM 176 H ASN A 10 4.811 -7.032 11.274 1.00 0.26 H ATOM 177 HA ASN A 10 3.636 -9.161 12.839 1.00 0.27 H ATOM 178 HB2 ASN A 10 4.713 -9.195 10.008 1.00 0.28 H ATOM 179 HB3 ASN A 10 3.728 -10.463 10.739 1.00 0.27 H ATOM 180 HD21 ASN A 10 3.331 -8.110 8.582 1.00 0.51 H ATOM 181 HD22 ASN A 10 1.778 -7.550 8.976 1.00 0.42 H ATOM 182 N ALA A 11 5.490 -11.090 12.527 1.00 0.26 N ATOM 183 CA ALA A 11 6.581 -12.032 12.924 1.00 0.25 C ATOM 184 C ALA A 11 7.810 -11.932 12.011 1.00 0.25 C ATOM 185 O ALA A 11 8.861 -12.443 12.344 1.00 0.24 O ATOM 186 CB ALA A 11 6.035 -13.460 12.859 1.00 0.27 C ATOM 187 H ALA A 11 4.610 -11.452 12.293 1.00 0.26 H ATOM 188 HA ALA A 11 6.882 -11.830 13.940 1.00 0.25 H ATOM 189 HB1 ALA A 11 6.569 -14.082 13.563 1.00 1.05 H ATOM 190 HB2 ALA A 11 6.164 -13.853 11.861 1.00 1.04 H ATOM 191 HB3 ALA A 11 4.984 -13.455 13.110 1.00 1.05 H ATOM 192 N PHE A 12 7.716 -11.317 10.863 1.00 0.25 N ATOM 193 CA PHE A 12 8.915 -11.256 9.975 1.00 0.25 C ATOM 194 C PHE A 12 9.832 -10.112 10.401 1.00 0.24 C ATOM 195 O PHE A 12 11.039 -10.254 10.440 1.00 0.23 O ATOM 196 CB PHE A 12 8.462 -11.026 8.531 1.00 0.28 C ATOM 197 CG PHE A 12 9.641 -11.154 7.597 1.00 0.23 C ATOM 198 CD1 PHE A 12 10.273 -12.392 7.430 1.00 0.26 C ATOM 199 CD2 PHE A 12 10.098 -10.035 6.890 1.00 0.26 C ATOM 200 CE1 PHE A 12 11.361 -12.510 6.558 1.00 0.26 C ATOM 201 CE2 PHE A 12 11.188 -10.154 6.019 1.00 0.24 C ATOM 202 CZ PHE A 12 11.820 -11.391 5.853 1.00 0.21 C ATOM 203 H PHE A 12 6.877 -10.909 10.563 1.00 0.26 H ATOM 204 HA PHE A 12 9.455 -12.190 10.035 1.00 0.26 H ATOM 205 HB2 PHE A 12 7.717 -11.757 8.270 1.00 0.33 H ATOM 206 HB3 PHE A 12 8.040 -10.036 8.442 1.00 0.30 H ATOM 207 HD1 PHE A 12 9.920 -13.256 7.974 1.00 0.35 H ATOM 208 HD2 PHE A 12 9.610 -9.082 7.016 1.00 0.35 H ATOM 209 HE1 PHE A 12 11.848 -13.465 6.429 1.00 0.35 H ATOM 210 HE2 PHE A 12 11.541 -9.290 5.476 1.00 0.32 H ATOM 211 HZ PHE A 12 12.660 -11.483 5.181 1.00 0.23 H ATOM 212 N ILE A 13 9.278 -8.978 10.711 1.00 0.24 N ATOM 213 CA ILE A 13 10.146 -7.842 11.121 1.00 0.24 C ATOM 214 C ILE A 13 10.750 -8.152 12.493 1.00 0.21 C ATOM 215 O ILE A 13 11.934 -7.995 12.709 1.00 0.21 O ATOM 216 CB ILE A 13 9.320 -6.561 11.197 1.00 0.26 C ATOM 217 CG1 ILE A 13 8.599 -6.327 9.863 1.00 0.29 C ATOM 218 CG2 ILE A 13 10.232 -5.370 11.510 1.00 0.28 C ATOM 219 CD1 ILE A 13 9.612 -6.322 8.716 1.00 0.30 C ATOM 220 H ILE A 13 8.302 -8.886 10.668 1.00 0.24 H ATOM 221 HA ILE A 13 10.934 -7.737 10.393 1.00 0.25 H ATOM 222 HB ILE A 13 8.595 -6.670 11.983 1.00 0.25 H ATOM 223 HG12 ILE A 13 7.878 -7.116 9.703 1.00 0.30 H ATOM 224 HG13 ILE A 13 8.088 -5.376 9.893 1.00 0.32 H ATOM 225 HG21 ILE A 13 10.298 -5.243 12.580 1.00 1.03 H ATOM 226 HG22 ILE A 13 9.822 -4.473 11.068 1.00 1.06 H ATOM 227 HG23 ILE A 13 11.218 -5.550 11.108 1.00 1.05 H ATOM 228 HD11 ILE A 13 10.513 -5.818 9.031 1.00 1.05 H ATOM 229 HD12 ILE A 13 9.190 -5.806 7.867 1.00 1.06 H ATOM 230 HD13 ILE A 13 9.846 -7.337 8.438 1.00 1.07 H ATOM 231 N VAL A 14 9.953 -8.620 13.415 1.00 0.20 N ATOM 232 CA VAL A 14 10.493 -8.963 14.762 1.00 0.19 C ATOM 233 C VAL A 14 11.719 -9.856 14.559 1.00 0.17 C ATOM 234 O VAL A 14 12.798 -9.598 15.065 1.00 0.16 O ATOM 235 CB VAL A 14 9.417 -9.731 15.546 1.00 0.20 C ATOM 236 CG1 VAL A 14 9.898 -10.007 16.976 1.00 0.19 C ATOM 237 CG2 VAL A 14 8.124 -8.903 15.597 1.00 0.21 C ATOM 238 H VAL A 14 9.004 -8.761 13.217 1.00 0.23 H ATOM 239 HA VAL A 14 10.765 -8.067 15.301 1.00 0.18 H ATOM 240 HB VAL A 14 9.220 -10.671 15.050 1.00 0.21 H ATOM 241 HG11 VAL A 14 9.045 -10.223 17.607 1.00 1.03 H ATOM 242 HG12 VAL A 14 10.415 -9.139 17.356 1.00 1.04 H ATOM 243 HG13 VAL A 14 10.567 -10.855 16.974 1.00 1.03 H ATOM 244 HG21 VAL A 14 8.133 -8.270 16.473 1.00 1.03 H ATOM 245 HG22 VAL A 14 7.275 -9.569 15.646 1.00 1.05 H ATOM 246 HG23 VAL A 14 8.048 -8.291 14.711 1.00 1.04 H ATOM 247 N TRP A 15 11.553 -10.892 13.785 1.00 0.19 N ATOM 248 CA TRP A 15 12.677 -11.820 13.485 1.00 0.19 C ATOM 249 C TRP A 15 13.773 -11.085 12.710 1.00 0.17 C ATOM 250 O TRP A 15 14.949 -11.251 12.967 1.00 0.17 O ATOM 251 CB TRP A 15 12.144 -12.957 12.610 1.00 0.21 C ATOM 252 CG TRP A 15 13.237 -13.945 12.345 1.00 0.22 C ATOM 253 CD1 TRP A 15 13.802 -14.745 13.276 1.00 0.24 C ATOM 254 CD2 TRP A 15 13.898 -14.256 11.083 1.00 0.26 C ATOM 255 NE1 TRP A 15 14.769 -15.525 12.670 1.00 0.28 N ATOM 256 CE2 TRP A 15 14.866 -15.261 11.319 1.00 0.29 C ATOM 257 CE3 TRP A 15 13.754 -13.769 9.772 1.00 0.30 C ATOM 258 CZ2 TRP A 15 15.663 -15.765 10.290 1.00 0.34 C ATOM 259 CZ3 TRP A 15 14.554 -14.273 8.734 1.00 0.36 C ATOM 260 CH2 TRP A 15 15.506 -15.269 8.992 1.00 0.37 C ATOM 261 H TRP A 15 10.676 -11.052 13.378 1.00 0.20 H ATOM 262 HA TRP A 15 13.084 -12.240 14.393 1.00 0.18 H ATOM 263 HB2 TRP A 15 11.330 -13.451 13.120 1.00 0.22 H ATOM 264 HB3 TRP A 15 11.789 -12.554 11.674 1.00 0.24 H ATOM 265 HD1 TRP A 15 13.543 -14.768 14.323 1.00 0.25 H ATOM 266 HE1 TRP A 15 15.327 -16.188 13.128 1.00 0.32 H ATOM 267 HE3 TRP A 15 13.024 -13.001 9.562 1.00 0.31 H ATOM 268 HZ2 TRP A 15 16.394 -16.532 10.494 1.00 0.38 H ATOM 269 HZ3 TRP A 15 14.436 -13.891 7.731 1.00 0.40 H ATOM 270 HH2 TRP A 15 16.118 -15.653 8.190 1.00 0.42 H ATOM 271 N SER A 16 13.391 -10.309 11.735 1.00 0.17 N ATOM 272 CA SER A 16 14.403 -9.597 10.905 1.00 0.17 C ATOM 273 C SER A 16 15.103 -8.473 11.677 1.00 0.15 C ATOM 274 O SER A 16 16.258 -8.201 11.432 1.00 0.16 O ATOM 275 CB SER A 16 13.732 -9.015 9.661 1.00 0.18 C ATOM 276 OG SER A 16 12.938 -10.018 9.041 1.00 1.23 O ATOM 277 H SER A 16 12.437 -10.215 11.528 1.00 0.18 H ATOM 278 HA SER A 16 15.155 -10.305 10.599 1.00 0.17 H ATOM 279 HB2 SER A 16 13.106 -8.187 9.941 1.00 0.95 H ATOM 280 HB3 SER A 16 14.494 -8.670 8.975 1.00 0.89 H ATOM 281 HG SER A 16 12.094 -9.625 8.808 1.00 1.78 H ATOM 282 N ARG A 17 14.468 -7.816 12.609 1.00 0.14 N ATOM 283 CA ARG A 17 15.209 -6.738 13.327 1.00 0.14 C ATOM 284 C ARG A 17 16.377 -7.363 14.089 1.00 0.13 C ATOM 285 O ARG A 17 17.469 -6.828 14.133 1.00 0.13 O ATOM 286 CB ARG A 17 14.281 -6.003 14.301 1.00 0.14 C ATOM 287 CG ARG A 17 13.255 -5.189 13.507 1.00 0.16 C ATOM 288 CD ARG A 17 12.490 -4.254 14.446 1.00 0.27 C ATOM 289 NE ARG A 17 12.234 -4.957 15.734 1.00 1.16 N ATOM 290 CZ ARG A 17 11.744 -4.302 16.751 1.00 1.59 C ATOM 291 NH1 ARG A 17 11.357 -3.066 16.601 1.00 1.67 N ATOM 292 NH2 ARG A 17 11.621 -4.889 17.910 1.00 2.53 N ATOM 293 H ARG A 17 13.546 -8.032 12.858 1.00 0.15 H ATOM 294 HA ARG A 17 15.575 -6.036 12.591 1.00 0.14 H ATOM 295 HB2 ARG A 17 13.770 -6.722 14.923 1.00 0.16 H ATOM 296 HB3 ARG A 17 14.864 -5.339 14.920 1.00 0.15 H ATOM 297 HG2 ARG A 17 13.767 -4.602 12.759 1.00 0.19 H ATOM 298 HG3 ARG A 17 12.561 -5.856 13.025 1.00 0.23 H ATOM 299 HD2 ARG A 17 13.074 -3.373 14.637 1.00 0.96 H ATOM 300 HD3 ARG A 17 11.554 -3.965 13.982 1.00 0.88 H ATOM 301 HE ARG A 17 12.475 -5.901 15.830 1.00 1.86 H ATOM 302 HH11 ARG A 17 11.435 -2.623 15.708 1.00 1.51 H ATOM 303 HH12 ARG A 17 10.977 -2.562 17.378 1.00 2.34 H ATOM 304 HH21 ARG A 17 11.901 -5.841 18.019 1.00 2.99 H ATOM 305 HH22 ARG A 17 11.244 -4.386 18.689 1.00 2.97 H ATOM 306 N ASP A 18 16.151 -8.508 14.673 1.00 0.14 N ATOM 307 CA ASP A 18 17.244 -9.188 15.423 1.00 0.14 C ATOM 308 C ASP A 18 18.196 -9.868 14.437 1.00 0.15 C ATOM 309 O ASP A 18 19.402 -9.813 14.573 1.00 0.15 O ATOM 310 CB ASP A 18 16.644 -10.242 16.357 1.00 0.15 C ATOM 311 CG ASP A 18 17.731 -10.770 17.295 1.00 0.16 C ATOM 312 OD1 ASP A 18 18.833 -10.250 17.245 1.00 0.16 O ATOM 313 OD2 ASP A 18 17.442 -11.686 18.048 1.00 0.17 O ATOM 314 H ASP A 18 15.262 -8.927 14.604 1.00 0.14 H ATOM 315 HA ASP A 18 17.776 -8.453 16.009 1.00 0.14 H ATOM 316 HB2 ASP A 18 15.851 -9.796 16.940 1.00 0.15 H ATOM 317 HB3 ASP A 18 16.247 -11.058 15.772 1.00 0.16 H ATOM 318 N GLN A 19 17.645 -10.534 13.457 1.00 0.16 N ATOM 319 CA GLN A 19 18.491 -11.254 12.463 1.00 0.17 C ATOM 320 C GLN A 19 19.187 -10.251 11.539 1.00 0.16 C ATOM 321 O GLN A 19 20.287 -10.478 11.075 1.00 0.16 O ATOM 322 CB GLN A 19 17.608 -12.183 11.627 1.00 0.18 C ATOM 323 CG GLN A 19 18.487 -13.132 10.809 1.00 0.20 C ATOM 324 CD GLN A 19 19.001 -14.256 11.710 1.00 0.59 C ATOM 325 OE1 GLN A 19 18.225 -15.015 12.257 1.00 1.22 O ATOM 326 NE2 GLN A 19 20.286 -14.399 11.889 1.00 1.39 N ATOM 327 H GLN A 19 16.668 -10.570 13.395 1.00 0.16 H ATOM 328 HA GLN A 19 19.218 -11.845 13.002 1.00 0.17 H ATOM 329 HB2 GLN A 19 16.968 -12.757 12.281 1.00 0.19 H ATOM 330 HB3 GLN A 19 17.001 -11.593 10.958 1.00 0.18 H ATOM 331 HG2 GLN A 19 17.907 -13.554 10.001 1.00 0.52 H ATOM 332 HG3 GLN A 19 19.326 -12.587 10.404 1.00 0.50 H ATOM 333 HE21 GLN A 19 20.914 -13.790 11.448 1.00 1.98 H ATOM 334 HE22 GLN A 19 20.623 -15.117 12.464 1.00 1.68 H ATOM 335 N ARG A 20 18.551 -9.139 11.267 1.00 0.15 N ATOM 336 CA ARG A 20 19.175 -8.123 10.370 1.00 0.15 C ATOM 337 C ARG A 20 20.454 -7.586 11.010 1.00 0.14 C ATOM 338 O ARG A 20 21.473 -7.465 10.358 1.00 0.15 O ATOM 339 CB ARG A 20 18.193 -6.970 10.131 1.00 0.15 C ATOM 340 CG ARG A 20 18.828 -5.915 9.219 1.00 0.15 C ATOM 341 CD ARG A 20 17.906 -4.698 9.136 1.00 0.21 C ATOM 342 NE ARG A 20 16.551 -5.111 8.641 1.00 0.41 N ATOM 343 CZ ARG A 20 16.393 -5.706 7.489 1.00 0.70 C ATOM 344 NH1 ARG A 20 17.393 -5.819 6.660 1.00 1.71 N ATOM 345 NH2 ARG A 20 15.214 -6.149 7.145 1.00 0.74 N ATOM 346 H ARG A 20 17.669 -8.973 11.660 1.00 0.15 H ATOM 347 HA ARG A 20 19.419 -8.584 9.425 1.00 0.15 H ATOM 348 HB2 ARG A 20 17.304 -7.354 9.653 1.00 0.15 H ATOM 349 HB3 ARG A 20 17.929 -6.516 11.074 1.00 0.16 H ATOM 350 HG2 ARG A 20 19.781 -5.612 9.624 1.00 0.19 H ATOM 351 HG3 ARG A 20 18.973 -6.330 8.236 1.00 0.17 H ATOM 352 HD2 ARG A 20 17.778 -4.286 10.117 1.00 0.39 H ATOM 353 HD3 ARG A 20 18.364 -3.947 8.495 1.00 0.27 H ATOM 354 HE ARG A 20 15.769 -4.969 9.216 1.00 1.19 H ATOM 355 HH11 ARG A 20 18.288 -5.447 6.903 1.00 1.87 H ATOM 356 HH12 ARG A 20 17.263 -6.277 5.780 1.00 2.39 H ATOM 357 HH21 ARG A 20 14.436 -6.031 7.763 1.00 0.89 H ATOM 358 HH22 ARG A 20 15.088 -6.604 6.264 1.00 1.29 H ATOM 359 N ARG A 21 20.424 -7.251 12.273 1.00 0.14 N ATOM 360 CA ARG A 21 21.649 -6.711 12.923 1.00 0.15 C ATOM 361 C ARG A 21 22.764 -7.760 12.876 1.00 0.15 C ATOM 362 O ARG A 21 23.897 -7.456 12.563 1.00 0.16 O ATOM 363 CB ARG A 21 21.331 -6.388 14.385 1.00 0.15 C ATOM 364 CG ARG A 21 22.520 -5.672 15.032 1.00 0.16 C ATOM 365 CD ARG A 21 22.379 -4.157 14.875 1.00 0.17 C ATOM 366 NE ARG A 21 23.751 -3.568 15.010 1.00 0.44 N ATOM 367 CZ ARG A 21 23.936 -2.281 15.052 1.00 0.84 C ATOM 368 NH1 ARG A 21 22.915 -1.474 15.133 1.00 1.91 N ATOM 369 NH2 ARG A 21 25.152 -1.800 15.054 1.00 0.97 N ATOM 370 H ARG A 21 19.602 -7.327 12.808 1.00 0.14 H ATOM 371 HA ARG A 21 21.973 -5.812 12.419 1.00 0.15 H ATOM 372 HB2 ARG A 21 20.458 -5.752 14.429 1.00 0.15 H ATOM 373 HB3 ARG A 21 21.132 -7.305 14.920 1.00 0.16 H ATOM 374 HG2 ARG A 21 22.554 -5.919 16.083 1.00 0.17 H ATOM 375 HG3 ARG A 21 23.438 -5.994 14.562 1.00 0.18 H ATOM 376 HD2 ARG A 21 21.984 -3.912 13.910 1.00 0.43 H ATOM 377 HD3 ARG A 21 21.694 -3.782 15.636 1.00 0.34 H ATOM 378 HE ARG A 21 24.528 -4.162 15.019 1.00 1.28 H ATOM 379 HH11 ARG A 21 21.985 -1.842 15.162 1.00 2.09 H ATOM 380 HH12 ARG A 21 23.063 -0.487 15.173 1.00 2.67 H ATOM 381 HH21 ARG A 21 25.936 -2.420 15.022 1.00 1.13 H ATOM 382 HH22 ARG A 21 25.297 -0.811 15.091 1.00 1.55 H ATOM 383 N LYS A 22 22.458 -8.987 13.193 1.00 0.16 N ATOM 384 CA LYS A 22 23.502 -10.051 13.182 1.00 0.17 C ATOM 385 C LYS A 22 24.066 -10.208 11.772 1.00 0.17 C ATOM 386 O LYS A 22 25.255 -10.375 11.582 1.00 0.18 O ATOM 387 CB LYS A 22 22.856 -11.367 13.621 1.00 0.17 C ATOM 388 CG LYS A 22 23.924 -12.449 13.777 1.00 0.19 C ATOM 389 CD LYS A 22 23.250 -13.769 14.156 1.00 0.23 C ATOM 390 CE LYS A 22 24.315 -14.815 14.486 1.00 1.19 C ATOM 391 NZ LYS A 22 23.668 -16.150 14.633 1.00 1.97 N ATOM 392 H LYS A 22 21.545 -9.220 13.463 1.00 0.16 H ATOM 393 HA LYS A 22 24.300 -9.801 13.865 1.00 0.17 H ATOM 394 HB2 LYS A 22 22.351 -11.221 14.564 1.00 0.18 H ATOM 395 HB3 LYS A 22 22.139 -11.679 12.875 1.00 0.17 H ATOM 396 HG2 LYS A 22 24.457 -12.567 12.844 1.00 0.23 H ATOM 397 HG3 LYS A 22 24.617 -12.163 14.555 1.00 0.23 H ATOM 398 HD2 LYS A 22 22.618 -13.613 15.020 1.00 1.00 H ATOM 399 HD3 LYS A 22 22.650 -14.117 13.329 1.00 1.00 H ATOM 400 HE2 LYS A 22 25.040 -14.853 13.689 1.00 1.83 H ATOM 401 HE3 LYS A 22 24.806 -14.550 15.410 1.00 1.86 H ATOM 402 HZ1 LYS A 22 24.399 -16.878 14.755 1.00 2.44 H ATOM 403 HZ2 LYS A 22 23.108 -16.358 13.780 1.00 2.43 H ATOM 404 HZ3 LYS A 22 23.045 -16.144 15.464 1.00 2.47 H ATOM 405 N MET A 23 23.226 -10.150 10.782 1.00 0.16 N ATOM 406 CA MET A 23 23.733 -10.292 9.393 1.00 0.17 C ATOM 407 C MET A 23 24.595 -9.074 9.058 1.00 0.16 C ATOM 408 O MET A 23 25.497 -9.145 8.251 1.00 0.17 O ATOM 409 CB MET A 23 22.576 -10.415 8.402 1.00 0.17 C ATOM 410 CG MET A 23 23.122 -10.857 7.042 1.00 0.19 C ATOM 411 SD MET A 23 23.471 -12.633 7.084 1.00 0.96 S ATOM 412 CE MET A 23 21.877 -13.194 6.437 1.00 0.71 C ATOM 413 H MET A 23 22.275 -10.007 10.972 1.00 0.16 H ATOM 414 HA MET A 23 24.356 -11.172 9.349 1.00 0.17 H ATOM 415 HB2 MET A 23 21.868 -11.147 8.764 1.00 0.18 H ATOM 416 HB3 MET A 23 22.085 -9.459 8.297 1.00 0.17 H ATOM 417 HG2 MET A 23 22.391 -10.651 6.276 1.00 0.61 H ATOM 418 HG3 MET A 23 24.032 -10.316 6.827 1.00 0.70 H ATOM 419 HE1 MET A 23 21.085 -12.846 7.086 1.00 1.39 H ATOM 420 HE2 MET A 23 21.862 -14.272 6.400 1.00 1.37 H ATOM 421 HE3 MET A 23 21.734 -12.799 5.441 1.00 1.35 H ATOM 422 N ALA A 24 24.332 -7.958 9.680 1.00 0.16 N ATOM 423 CA ALA A 24 25.147 -6.745 9.396 1.00 0.16 C ATOM 424 C ALA A 24 26.459 -6.833 10.180 1.00 0.17 C ATOM 425 O ALA A 24 27.495 -6.391 9.724 1.00 0.17 O ATOM 426 CB ALA A 24 24.376 -5.499 9.832 1.00 0.16 C ATOM 427 H ALA A 24 23.603 -7.913 10.336 1.00 0.16 H ATOM 428 HA ALA A 24 25.361 -6.686 8.338 1.00 0.16 H ATOM 429 HB1 ALA A 24 24.831 -4.622 9.396 1.00 1.02 H ATOM 430 HB2 ALA A 24 24.401 -5.419 10.910 1.00 1.04 H ATOM 431 HB3 ALA A 24 23.351 -5.575 9.501 1.00 1.02 H ATOM 432 N LEU A 25 26.430 -7.419 11.347 1.00 0.17 N ATOM 433 CA LEU A 25 27.685 -7.554 12.138 1.00 0.18 C ATOM 434 C LEU A 25 28.566 -8.624 11.489 1.00 0.19 C ATOM 435 O LEU A 25 29.773 -8.497 11.420 1.00 0.20 O ATOM 436 CB LEU A 25 27.350 -7.971 13.574 1.00 0.18 C ATOM 437 CG LEU A 25 26.571 -6.851 14.272 1.00 0.18 C ATOM 438 CD1 LEU A 25 26.175 -7.308 15.678 1.00 0.19 C ATOM 439 CD2 LEU A 25 27.449 -5.597 14.371 1.00 0.19 C ATOM 440 H LEU A 25 25.589 -7.786 11.693 1.00 0.17 H ATOM 441 HA LEU A 25 28.208 -6.608 12.152 1.00 0.18 H ATOM 442 HB2 LEU A 25 26.750 -8.869 13.555 1.00 0.18 H ATOM 443 HB3 LEU A 25 28.264 -8.161 14.115 1.00 0.20 H ATOM 444 HG LEU A 25 25.681 -6.625 13.705 1.00 0.17 H ATOM 445 HD11 LEU A 25 25.584 -6.540 16.152 1.00 1.02 H ATOM 446 HD12 LEU A 25 27.066 -7.490 16.262 1.00 1.05 H ATOM 447 HD13 LEU A 25 25.597 -8.218 15.611 1.00 1.03 H ATOM 448 HD21 LEU A 25 27.162 -5.022 15.240 1.00 1.04 H ATOM 449 HD22 LEU A 25 27.316 -4.993 13.485 1.00 1.03 H ATOM 450 HD23 LEU A 25 28.486 -5.885 14.458 1.00 1.04 H ATOM 451 N GLU A 26 27.962 -9.677 11.005 1.00 0.19 N ATOM 452 CA GLU A 26 28.746 -10.760 10.348 1.00 0.19 C ATOM 453 C GLU A 26 28.958 -10.419 8.871 1.00 0.19 C ATOM 454 O GLU A 26 29.911 -10.856 8.256 1.00 0.20 O ATOM 455 CB GLU A 26 27.986 -12.084 10.457 1.00 0.20 C ATOM 456 CG GLU A 26 27.854 -12.471 11.931 1.00 0.21 C ATOM 457 CD GLU A 26 27.290 -13.888 12.039 1.00 1.20 C ATOM 458 OE1 GLU A 26 26.941 -14.446 11.013 1.00 1.91 O ATOM 459 OE2 GLU A 26 27.220 -14.391 13.148 1.00 1.42 O ATOM 460 H GLU A 26 26.986 -9.750 11.068 1.00 0.18 H ATOM 461 HA GLU A 26 29.704 -10.866 10.834 1.00 0.21 H ATOM 462 HB2 GLU A 26 27.004 -11.973 10.022 1.00 0.19 H ATOM 463 HB3 GLU A 26 28.529 -12.855 9.932 1.00 0.21 H ATOM 464 HG2 GLU A 26 28.825 -12.431 12.402 1.00 0.87 H ATOM 465 HG3 GLU A 26 27.185 -11.781 12.425 1.00 0.89 H ATOM 466 N ASN A 27 28.089 -9.618 8.305 1.00 0.18 N ATOM 467 CA ASN A 27 28.254 -9.219 6.873 1.00 0.18 C ATOM 468 C ASN A 27 28.189 -7.692 6.778 1.00 0.17 C ATOM 469 O ASN A 27 27.263 -7.139 6.219 1.00 0.18 O ATOM 470 CB ASN A 27 27.141 -9.828 6.007 1.00 0.17 C ATOM 471 CG ASN A 27 26.862 -11.270 6.438 1.00 0.19 C ATOM 472 OD1 ASN A 27 27.497 -11.787 7.334 1.00 0.64 O ATOM 473 ND2 ASN A 27 25.930 -11.948 5.827 1.00 0.60 N ATOM 474 H ASN A 27 27.351 -9.253 8.839 1.00 0.17 H ATOM 475 HA ASN A 27 29.215 -9.558 6.517 1.00 0.19 H ATOM 476 HB2 ASN A 27 26.243 -9.239 6.111 1.00 0.16 H ATOM 477 HB3 ASN A 27 27.453 -9.820 4.974 1.00 0.18 H ATOM 478 HD21 ASN A 27 25.418 -11.533 5.102 1.00 1.04 H ATOM 479 HD22 ASN A 27 25.742 -12.871 6.094 1.00 0.60 H ATOM 480 N PRO A 28 29.166 -7.015 7.326 1.00 0.19 N ATOM 481 CA PRO A 28 29.213 -5.525 7.305 1.00 0.19 C ATOM 482 C PRO A 28 29.370 -4.972 5.886 1.00 0.18 C ATOM 483 O PRO A 28 29.275 -3.782 5.662 1.00 0.19 O ATOM 484 CB PRO A 28 30.436 -5.165 8.165 1.00 0.21 C ATOM 485 CG PRO A 28 31.255 -6.411 8.278 1.00 0.31 C ATOM 486 CD PRO A 28 30.327 -7.596 8.020 1.00 0.25 C ATOM 487 HA PRO A 28 28.331 -5.116 7.773 1.00 0.18 H ATOM 488 HB2 PRO A 28 31.011 -4.381 7.689 1.00 0.34 H ATOM 489 HB3 PRO A 28 30.118 -4.845 9.146 1.00 0.35 H ATOM 490 HG2 PRO A 28 32.050 -6.396 7.545 1.00 0.64 H ATOM 491 HG3 PRO A 28 31.672 -6.489 9.270 1.00 0.62 H ATOM 492 HD2 PRO A 28 30.827 -8.321 7.395 1.00 0.46 H ATOM 493 HD3 PRO A 28 30.020 -8.045 8.952 1.00 0.44 H ATOM 494 N ARG A 29 29.605 -5.824 4.924 1.00 0.18 N ATOM 495 CA ARG A 29 29.765 -5.352 3.521 1.00 0.19 C ATOM 496 C ARG A 29 28.461 -5.607 2.759 1.00 0.17 C ATOM 497 O ARG A 29 28.257 -5.102 1.673 1.00 0.17 O ATOM 498 CB ARG A 29 30.881 -6.155 2.835 1.00 0.20 C ATOM 499 CG ARG A 29 32.111 -6.294 3.752 1.00 0.24 C ATOM 500 CD ARG A 29 33.037 -5.068 3.650 1.00 0.90 C ATOM 501 NE ARG A 29 34.408 -5.547 3.306 1.00 1.76 N ATOM 502 CZ ARG A 29 35.338 -4.700 2.963 1.00 2.47 C ATOM 503 NH1 ARG A 29 35.091 -3.419 2.962 1.00 2.75 N ATOM 504 NH2 ARG A 29 36.522 -5.139 2.630 1.00 3.47 N ATOM 505 H ARG A 29 29.667 -6.787 5.099 1.00 0.18 H ATOM 506 HA ARG A 29 30.003 -4.298 3.488 1.00 0.19 H ATOM 507 HB2 ARG A 29 30.506 -7.141 2.599 1.00 0.20 H ATOM 508 HB3 ARG A 29 31.164 -5.660 1.918 1.00 0.22 H ATOM 509 HG2 ARG A 29 31.790 -6.411 4.774 1.00 0.77 H ATOM 510 HG3 ARG A 29 32.665 -7.174 3.459 1.00 0.65 H ATOM 511 HD2 ARG A 29 32.692 -4.394 2.885 1.00 1.39 H ATOM 512 HD3 ARG A 29 33.057 -4.550 4.600 1.00 1.46 H ATOM 513 HE ARG A 29 34.606 -6.506 3.323 1.00 2.34 H ATOM 514 HH11 ARG A 29 34.187 -3.083 3.224 1.00 2.48 H ATOM 515 HH12 ARG A 29 35.809 -2.775 2.700 1.00 3.61 H ATOM 516 HH21 ARG A 29 36.713 -6.120 2.639 1.00 3.79 H ATOM 517 HH22 ARG A 29 37.239 -4.493 2.368 1.00 4.13 H ATOM 518 N MET A 30 27.590 -6.414 3.306 1.00 0.16 N ATOM 519 CA MET A 30 26.319 -6.729 2.593 1.00 0.14 C ATOM 520 C MET A 30 25.312 -5.596 2.792 1.00 0.13 C ATOM 521 O MET A 30 25.120 -5.089 3.880 1.00 0.13 O ATOM 522 CB MET A 30 25.734 -8.035 3.133 1.00 0.14 C ATOM 523 CG MET A 30 24.555 -8.470 2.265 1.00 0.13 C ATOM 524 SD MET A 30 25.169 -9.324 0.795 1.00 0.15 S ATOM 525 CE MET A 30 24.854 -11.003 1.392 1.00 0.31 C ATOM 526 H MET A 30 27.789 -6.835 4.167 1.00 0.16 H ATOM 527 HA MET A 30 26.520 -6.814 1.538 1.00 0.15 H ATOM 528 HB2 MET A 30 26.495 -8.802 3.118 1.00 0.15 H ATOM 529 HB3 MET A 30 25.395 -7.885 4.147 1.00 0.14 H ATOM 530 HG2 MET A 30 23.920 -9.135 2.829 1.00 0.13 H ATOM 531 HG3 MET A 30 23.991 -7.601 1.965 1.00 0.13 H ATOM 532 HE1 MET A 30 25.157 -11.076 2.429 1.00 1.07 H ATOM 533 HE2 MET A 30 25.417 -11.709 0.804 1.00 1.07 H ATOM 534 HE3 MET A 30 23.799 -11.223 1.304 1.00 1.09 H ATOM 535 N ARG A 31 24.673 -5.201 1.726 1.00 0.13 N ATOM 536 CA ARG A 31 23.677 -4.101 1.808 1.00 0.12 C ATOM 537 C ARG A 31 22.334 -4.649 2.304 1.00 0.11 C ATOM 538 O ARG A 31 22.034 -5.819 2.173 1.00 0.11 O ATOM 539 CB ARG A 31 23.531 -3.447 0.433 1.00 0.13 C ATOM 540 CG ARG A 31 24.917 -2.976 -0.020 1.00 0.15 C ATOM 541 CD ARG A 31 24.810 -2.095 -1.266 1.00 0.16 C ATOM 542 NE ARG A 31 26.158 -2.009 -1.898 1.00 0.32 N ATOM 543 CZ ARG A 31 26.300 -1.483 -3.083 1.00 0.96 C ATOM 544 NH1 ARG A 31 25.272 -0.962 -3.693 1.00 2.02 N ATOM 545 NH2 ARG A 31 27.475 -1.464 -3.650 1.00 0.98 N ATOM 546 H ARG A 31 24.853 -5.639 0.866 1.00 0.13 H ATOM 547 HA ARG A 31 24.037 -3.365 2.516 1.00 0.13 H ATOM 548 HB2 ARG A 31 23.138 -4.165 -0.273 1.00 0.13 H ATOM 549 HB3 ARG A 31 22.866 -2.599 0.499 1.00 0.13 H ATOM 550 HG2 ARG A 31 25.379 -2.412 0.777 1.00 0.17 H ATOM 551 HG3 ARG A 31 25.529 -3.838 -0.245 1.00 0.17 H ATOM 552 HD2 ARG A 31 24.112 -2.527 -1.962 1.00 0.19 H ATOM 553 HD3 ARG A 31 24.470 -1.106 -0.981 1.00 0.22 H ATOM 554 HE ARG A 31 26.939 -2.373 -1.431 1.00 1.05 H ATOM 555 HH11 ARG A 31 24.375 -0.966 -3.254 1.00 2.09 H ATOM 556 HH12 ARG A 31 25.383 -0.556 -4.600 1.00 2.80 H ATOM 557 HH21 ARG A 31 28.265 -1.854 -3.176 1.00 0.71 H ATOM 558 HH22 ARG A 31 27.586 -1.060 -4.558 1.00 1.70 H ATOM 559 N ASN A 32 21.542 -3.803 2.894 1.00 0.11 N ATOM 560 CA ASN A 32 20.229 -4.277 3.422 1.00 0.10 C ATOM 561 C ASN A 32 19.394 -4.908 2.312 1.00 0.11 C ATOM 562 O ASN A 32 18.666 -5.853 2.547 1.00 0.11 O ATOM 563 CB ASN A 32 19.432 -3.134 4.048 1.00 0.11 C ATOM 564 CG ASN A 32 19.893 -2.903 5.483 1.00 0.10 C ATOM 565 OD1 ASN A 32 21.072 -2.934 5.775 1.00 0.11 O ATOM 566 ND2 ASN A 32 18.990 -2.705 6.407 1.00 0.11 N ATOM 567 H ASN A 32 21.853 -2.878 2.978 1.00 0.12 H ATOM 568 HA ASN A 32 20.445 -5.012 4.181 1.00 0.10 H ATOM 569 HB2 ASN A 32 19.589 -2.241 3.471 1.00 0.11 H ATOM 570 HB3 ASN A 32 18.380 -3.382 4.048 1.00 0.11 H ATOM 571 HD21 ASN A 32 18.039 -2.706 6.169 1.00 0.12 H ATOM 572 HD22 ASN A 32 19.262 -2.561 7.336 1.00 0.11 H ATOM 573 N SER A 33 19.436 -4.381 1.115 1.00 0.12 N ATOM 574 CA SER A 33 18.577 -4.959 0.051 1.00 0.13 C ATOM 575 C SER A 33 19.004 -6.394 -0.270 1.00 0.13 C ATOM 576 O SER A 33 18.195 -7.232 -0.617 1.00 0.14 O ATOM 577 CB SER A 33 18.628 -4.085 -1.202 1.00 0.14 C ATOM 578 OG SER A 33 18.187 -2.773 -0.877 1.00 0.24 O ATOM 579 H SER A 33 19.987 -3.596 0.920 1.00 0.12 H ATOM 580 HA SER A 33 17.592 -4.964 0.460 1.00 0.13 H ATOM 581 HB2 SER A 33 19.639 -4.037 -1.569 1.00 0.13 H ATOM 582 HB3 SER A 33 17.993 -4.510 -1.965 1.00 0.23 H ATOM 583 HG SER A 33 18.490 -2.570 0.012 1.00 0.51 H ATOM 584 N GLU A 34 20.261 -6.690 -0.126 1.00 0.13 N ATOM 585 CA GLU A 34 20.711 -8.083 -0.395 1.00 0.14 C ATOM 586 C GLU A 34 20.400 -8.925 0.841 1.00 0.13 C ATOM 587 O GLU A 34 19.975 -10.059 0.741 1.00 0.14 O ATOM 588 CB GLU A 34 22.205 -8.116 -0.719 1.00 0.15 C ATOM 589 CG GLU A 34 22.448 -7.397 -2.048 1.00 0.19 C ATOM 590 CD GLU A 34 23.908 -7.571 -2.467 1.00 1.25 C ATOM 591 OE1 GLU A 34 24.661 -8.144 -1.698 1.00 2.04 O ATOM 592 OE2 GLU A 34 24.248 -7.129 -3.553 1.00 1.46 O ATOM 593 H GLU A 34 20.880 -6.000 0.198 1.00 0.13 H ATOM 594 HA GLU A 34 20.147 -8.481 -1.226 1.00 0.15 H ATOM 595 HB2 GLU A 34 22.754 -7.619 0.065 1.00 0.16 H ATOM 596 HB3 GLU A 34 22.535 -9.140 -0.799 1.00 0.17 H ATOM 597 HG2 GLU A 34 21.802 -7.817 -2.806 1.00 0.92 H ATOM 598 HG3 GLU A 34 22.232 -6.346 -1.933 1.00 0.99 H ATOM 599 N ILE A 35 20.570 -8.365 2.006 1.00 0.12 N ATOM 600 CA ILE A 35 20.242 -9.120 3.245 1.00 0.12 C ATOM 601 C ILE A 35 18.752 -9.459 3.239 1.00 0.12 C ATOM 602 O ILE A 35 18.354 -10.566 3.538 1.00 0.13 O ATOM 603 CB ILE A 35 20.564 -8.259 4.464 1.00 0.11 C ATOM 604 CG1 ILE A 35 22.081 -8.047 4.524 1.00 0.11 C ATOM 605 CG2 ILE A 35 20.080 -8.972 5.730 1.00 0.12 C ATOM 606 CD1 ILE A 35 22.452 -7.113 5.679 1.00 0.11 C ATOM 607 H ILE A 35 20.892 -7.441 2.066 1.00 0.12 H ATOM 608 HA ILE A 35 20.828 -10.028 3.295 1.00 0.13 H ATOM 609 HB ILE A 35 20.066 -7.304 4.374 1.00 0.10 H ATOM 610 HG12 ILE A 35 22.568 -9.000 4.665 1.00 0.12 H ATOM 611 HG13 ILE A 35 22.412 -7.610 3.596 1.00 0.12 H ATOM 612 HG21 ILE A 35 20.586 -8.563 6.592 1.00 1.03 H ATOM 613 HG22 ILE A 35 20.293 -10.027 5.653 1.00 1.01 H ATOM 614 HG23 ILE A 35 19.015 -8.828 5.837 1.00 1.00 H ATOM 615 HD11 ILE A 35 21.666 -7.116 6.421 1.00 1.02 H ATOM 616 HD12 ILE A 35 22.588 -6.112 5.301 1.00 1.02 H ATOM 617 HD13 ILE A 35 23.372 -7.455 6.129 1.00 1.02 H ATOM 618 N SER A 36 17.926 -8.510 2.894 1.00 0.12 N ATOM 619 CA SER A 36 16.459 -8.767 2.863 1.00 0.13 C ATOM 620 C SER A 36 16.190 -9.987 1.987 1.00 0.14 C ATOM 621 O SER A 36 15.411 -10.857 2.321 1.00 0.14 O ATOM 622 CB SER A 36 15.760 -7.550 2.256 1.00 0.13 C ATOM 623 OG SER A 36 16.260 -6.368 2.869 1.00 0.15 O ATOM 624 H SER A 36 18.271 -7.623 2.658 1.00 0.11 H ATOM 625 HA SER A 36 16.090 -8.923 3.866 1.00 0.13 H ATOM 626 HB2 SER A 36 15.955 -7.511 1.198 1.00 0.14 H ATOM 627 HB3 SER A 36 14.696 -7.629 2.422 1.00 0.14 H ATOM 628 HG SER A 36 15.520 -5.775 3.015 1.00 0.69 H ATOM 629 N LYS A 37 16.848 -10.046 0.865 1.00 0.15 N ATOM 630 CA LYS A 37 16.674 -11.194 -0.064 1.00 0.17 C ATOM 631 C LYS A 37 17.156 -12.486 0.603 1.00 0.16 C ATOM 632 O LYS A 37 16.535 -13.523 0.476 1.00 0.17 O ATOM 633 CB LYS A 37 17.487 -10.920 -1.331 1.00 0.20 C ATOM 634 CG LYS A 37 16.851 -9.753 -2.094 1.00 0.41 C ATOM 635 CD LYS A 37 17.746 -9.364 -3.271 1.00 0.47 C ATOM 636 CE LYS A 37 17.045 -8.329 -4.150 1.00 0.82 C ATOM 637 NZ LYS A 37 17.501 -8.484 -5.560 1.00 1.57 N ATOM 638 H LYS A 37 17.471 -9.325 0.638 1.00 0.15 H ATOM 639 HA LYS A 37 15.631 -11.309 -0.324 1.00 0.17 H ATOM 640 HB2 LYS A 37 18.502 -10.667 -1.060 1.00 0.38 H ATOM 641 HB3 LYS A 37 17.487 -11.799 -1.957 1.00 0.27 H ATOM 642 HG2 LYS A 37 15.880 -10.051 -2.459 1.00 0.95 H ATOM 643 HG3 LYS A 37 16.743 -8.906 -1.432 1.00 0.91 H ATOM 644 HD2 LYS A 37 18.658 -8.933 -2.891 1.00 1.20 H ATOM 645 HD3 LYS A 37 17.975 -10.239 -3.860 1.00 1.25 H ATOM 646 HE2 LYS A 37 15.977 -8.472 -4.100 1.00 1.36 H ATOM 647 HE3 LYS A 37 17.297 -7.341 -3.798 1.00 1.41 H ATOM 648 HZ1 LYS A 37 18.046 -9.365 -5.654 1.00 2.10 H ATOM 649 HZ2 LYS A 37 18.101 -7.674 -5.821 1.00 2.07 H ATOM 650 HZ3 LYS A 37 16.674 -8.522 -6.188 1.00 2.02 H ATOM 651 N GLN A 38 18.249 -12.443 1.318 1.00 0.16 N ATOM 652 CA GLN A 38 18.747 -13.679 1.991 1.00 0.17 C ATOM 653 C GLN A 38 17.824 -14.022 3.164 1.00 0.16 C ATOM 654 O GLN A 38 17.539 -15.174 3.427 1.00 0.17 O ATOM 655 CB GLN A 38 20.164 -13.442 2.518 1.00 0.17 C ATOM 656 CG GLN A 38 21.101 -13.087 1.361 1.00 0.23 C ATOM 657 CD GLN A 38 21.547 -14.363 0.647 1.00 1.21 C ATOM 658 OE1 GLN A 38 21.217 -15.455 1.065 1.00 2.06 O ATOM 659 NE2 GLN A 38 22.302 -14.272 -0.415 1.00 1.98 N ATOM 660 H GLN A 38 18.738 -11.600 1.420 1.00 0.15 H ATOM 661 HA GLN A 38 18.746 -14.499 1.285 1.00 0.18 H ATOM 662 HB2 GLN A 38 20.150 -12.631 3.230 1.00 0.19 H ATOM 663 HB3 GLN A 38 20.521 -14.339 3.002 1.00 0.20 H ATOM 664 HG2 GLN A 38 20.581 -12.447 0.661 1.00 1.02 H ATOM 665 HG3 GLN A 38 21.967 -12.570 1.745 1.00 0.97 H ATOM 666 HE21 GLN A 38 22.575 -13.392 -0.747 1.00 2.25 H ATOM 667 HE22 GLN A 38 22.595 -15.083 -0.878 1.00 2.70 H ATOM 668 N LEU A 39 17.362 -13.032 3.880 1.00 0.15 N ATOM 669 CA LEU A 39 16.468 -13.314 5.041 1.00 0.16 C ATOM 670 C LEU A 39 15.183 -13.977 4.549 1.00 0.17 C ATOM 671 O LEU A 39 14.711 -14.939 5.124 1.00 0.18 O ATOM 672 CB LEU A 39 16.123 -12.007 5.760 1.00 0.15 C ATOM 673 CG LEU A 39 17.378 -11.430 6.422 1.00 0.15 C ATOM 674 CD1 LEU A 39 17.040 -10.078 7.054 1.00 0.15 C ATOM 675 CD2 LEU A 39 17.877 -12.392 7.509 1.00 0.17 C ATOM 676 H LEU A 39 17.615 -12.111 3.658 1.00 0.15 H ATOM 677 HA LEU A 39 16.981 -13.975 5.724 1.00 0.17 H ATOM 678 HB2 LEU A 39 15.736 -11.297 5.045 1.00 0.15 H ATOM 679 HB3 LEU A 39 15.376 -12.199 6.516 1.00 0.16 H ATOM 680 HG LEU A 39 18.148 -11.295 5.678 1.00 0.14 H ATOM 681 HD11 LEU A 39 16.799 -9.368 6.278 1.00 1.03 H ATOM 682 HD12 LEU A 39 17.889 -9.722 7.617 1.00 1.03 H ATOM 683 HD13 LEU A 39 16.192 -10.191 7.714 1.00 1.03 H ATOM 684 HD21 LEU A 39 18.579 -13.091 7.077 1.00 1.04 H ATOM 685 HD22 LEU A 39 17.042 -12.934 7.926 1.00 1.02 H ATOM 686 HD23 LEU A 39 18.368 -11.831 8.293 1.00 1.03 H ATOM 687 N GLY A 40 14.621 -13.488 3.478 1.00 0.17 N ATOM 688 CA GLY A 40 13.381 -14.117 2.947 1.00 0.18 C ATOM 689 C GLY A 40 13.697 -15.565 2.579 1.00 0.19 C ATOM 690 O GLY A 40 12.922 -16.467 2.819 1.00 0.20 O ATOM 691 H GLY A 40 15.027 -12.727 3.013 1.00 0.16 H ATOM 692 HA2 GLY A 40 12.609 -14.091 3.704 1.00 0.18 H ATOM 693 HA3 GLY A 40 13.050 -13.587 2.069 1.00 0.18 H ATOM 694 N TYR A 41 14.845 -15.788 2.005 1.00 0.19 N ATOM 695 CA TYR A 41 15.244 -17.169 1.621 1.00 0.21 C ATOM 696 C TYR A 41 15.388 -18.035 2.877 1.00 0.21 C ATOM 697 O TYR A 41 14.886 -19.138 2.941 1.00 0.22 O ATOM 698 CB TYR A 41 16.582 -17.101 0.884 1.00 0.21 C ATOM 699 CG TYR A 41 17.014 -18.485 0.473 1.00 0.23 C ATOM 700 CD1 TYR A 41 16.480 -19.074 -0.679 1.00 0.27 C ATOM 701 CD2 TYR A 41 17.955 -19.177 1.241 1.00 0.25 C ATOM 702 CE1 TYR A 41 16.889 -20.357 -1.061 1.00 0.30 C ATOM 703 CE2 TYR A 41 18.364 -20.458 0.861 1.00 0.29 C ATOM 704 CZ TYR A 41 17.831 -21.050 -0.292 1.00 0.30 C ATOM 705 OH TYR A 41 18.235 -22.314 -0.669 1.00 0.35 O ATOM 706 H TYR A 41 15.452 -15.038 1.832 1.00 0.19 H ATOM 707 HA TYR A 41 14.499 -17.602 0.969 1.00 0.22 H ATOM 708 HB2 TYR A 41 16.477 -16.482 0.005 1.00 0.21 H ATOM 709 HB3 TYR A 41 17.329 -16.672 1.536 1.00 0.20 H ATOM 710 HD1 TYR A 41 15.753 -18.540 -1.273 1.00 0.29 H ATOM 711 HD2 TYR A 41 18.366 -18.721 2.129 1.00 0.27 H ATOM 712 HE1 TYR A 41 16.479 -20.811 -1.951 1.00 0.35 H ATOM 713 HE2 TYR A 41 19.091 -20.989 1.454 1.00 0.33 H ATOM 714 HH TYR A 41 17.454 -22.814 -0.913 1.00 0.99 H ATOM 715 N GLN A 42 16.068 -17.541 3.877 1.00 0.20 N ATOM 716 CA GLN A 42 16.244 -18.328 5.133 1.00 0.21 C ATOM 717 C GLN A 42 14.909 -18.465 5.871 1.00 0.21 C ATOM 718 O GLN A 42 14.604 -19.492 6.445 1.00 0.22 O ATOM 719 CB GLN A 42 17.233 -17.593 6.042 1.00 0.20 C ATOM 720 CG GLN A 42 18.619 -17.569 5.393 1.00 0.22 C ATOM 721 CD GLN A 42 19.324 -18.904 5.644 1.00 1.07 C ATOM 722 OE1 GLN A 42 19.074 -19.557 6.637 1.00 2.03 O ATOM 723 NE2 GLN A 42 20.208 -19.333 4.786 1.00 1.62 N ATOM 724 H GLN A 42 16.464 -16.647 3.811 1.00 0.19 H ATOM 725 HA GLN A 42 16.633 -19.309 4.905 1.00 0.22 H ATOM 726 HB2 GLN A 42 16.892 -16.580 6.196 1.00 0.19 H ATOM 727 HB3 GLN A 42 17.292 -18.100 6.992 1.00 0.21 H ATOM 728 HG2 GLN A 42 18.516 -17.411 4.329 1.00 0.89 H ATOM 729 HG3 GLN A 42 19.204 -16.769 5.821 1.00 0.86 H ATOM 730 HE21 GLN A 42 20.415 -18.803 3.987 1.00 1.93 H ATOM 731 HE22 GLN A 42 20.666 -20.185 4.940 1.00 2.22 H ATOM 732 N TRP A 43 14.125 -17.423 5.882 1.00 0.20 N ATOM 733 CA TRP A 43 12.821 -17.474 6.610 1.00 0.21 C ATOM 734 C TRP A 43 11.897 -18.520 5.973 1.00 0.22 C ATOM 735 O TRP A 43 11.146 -19.182 6.661 1.00 0.22 O ATOM 736 CB TRP A 43 12.184 -16.079 6.607 1.00 0.20 C ATOM 737 CG TRP A 43 10.835 -16.098 7.254 1.00 0.17 C ATOM 738 CD1 TRP A 43 9.659 -16.167 6.588 1.00 0.21 C ATOM 739 CD2 TRP A 43 10.498 -16.017 8.671 1.00 0.18 C ATOM 740 NE1 TRP A 43 8.624 -16.142 7.505 1.00 0.24 N ATOM 741 CE2 TRP A 43 9.090 -16.052 8.801 1.00 0.22 C ATOM 742 CE3 TRP A 43 11.270 -15.922 9.843 1.00 0.21 C ATOM 743 CZ2 TRP A 43 8.469 -15.994 10.049 1.00 0.28 C ATOM 744 CZ3 TRP A 43 10.648 -15.864 11.102 1.00 0.27 C ATOM 745 CH2 TRP A 43 9.250 -15.900 11.204 1.00 0.30 C ATOM 746 H TRP A 43 14.409 -16.606 5.424 1.00 0.20 H ATOM 747 HA TRP A 43 13.022 -17.802 7.617 1.00 0.21 H ATOM 748 HB2 TRP A 43 12.823 -15.398 7.146 1.00 0.22 H ATOM 749 HB3 TRP A 43 12.085 -15.738 5.586 1.00 0.24 H ATOM 750 HD1 TRP A 43 9.547 -16.230 5.515 1.00 0.26 H ATOM 751 HE1 TRP A 43 7.670 -16.173 7.282 1.00 0.29 H ATOM 752 HE3 TRP A 43 12.347 -15.894 9.775 1.00 0.22 H ATOM 753 HZ2 TRP A 43 7.392 -16.023 10.123 1.00 0.33 H ATOM 754 HZ3 TRP A 43 11.250 -15.791 11.994 1.00 0.32 H ATOM 755 HH2 TRP A 43 8.778 -15.855 12.174 1.00 0.37 H ATOM 756 N LYS A 44 11.946 -18.701 4.682 1.00 0.22 N ATOM 757 CA LYS A 44 11.066 -19.734 4.058 1.00 0.24 C ATOM 758 C LYS A 44 11.635 -21.127 4.351 1.00 0.24 C ATOM 759 O LYS A 44 11.008 -22.135 4.093 1.00 0.25 O ATOM 760 CB LYS A 44 10.998 -19.517 2.552 1.00 0.24 C ATOM 761 CG LYS A 44 10.313 -18.185 2.260 1.00 0.25 C ATOM 762 CD LYS A 44 10.297 -17.964 0.749 1.00 0.33 C ATOM 763 CE LYS A 44 9.848 -16.531 0.431 1.00 0.85 C ATOM 764 NZ LYS A 44 8.934 -16.546 -0.744 1.00 1.59 N ATOM 765 H LYS A 44 12.565 -18.179 4.130 1.00 0.22 H ATOM 766 HA LYS A 44 10.081 -19.658 4.493 1.00 0.24 H ATOM 767 HB2 LYS A 44 11.999 -19.505 2.145 1.00 0.24 H ATOM 768 HB3 LYS A 44 10.434 -20.316 2.098 1.00 0.26 H ATOM 769 HG2 LYS A 44 9.300 -18.211 2.634 1.00 0.26 H ATOM 770 HG3 LYS A 44 10.854 -17.385 2.736 1.00 0.25 H ATOM 771 HD2 LYS A 44 11.292 -18.128 0.360 1.00 0.70 H ATOM 772 HD3 LYS A 44 9.614 -18.663 0.294 1.00 0.94 H ATOM 773 HE2 LYS A 44 9.330 -16.109 1.281 1.00 1.53 H ATOM 774 HE3 LYS A 44 10.716 -15.928 0.204 1.00 1.55 H ATOM 775 HZ1 LYS A 44 8.959 -17.485 -1.190 1.00 2.09 H ATOM 776 HZ2 LYS A 44 9.241 -15.827 -1.432 1.00 2.15 H ATOM 777 HZ3 LYS A 44 7.964 -16.338 -0.433 1.00 2.07 H ATOM 778 N MET A 45 12.824 -21.184 4.882 1.00 0.24 N ATOM 779 CA MET A 45 13.451 -22.507 5.190 1.00 0.25 C ATOM 780 C MET A 45 13.185 -22.876 6.653 1.00 0.25 C ATOM 781 O MET A 45 13.489 -23.965 7.097 1.00 0.26 O ATOM 782 CB MET A 45 14.963 -22.412 4.968 1.00 0.24 C ATOM 783 CG MET A 45 15.250 -22.178 3.486 1.00 0.30 C ATOM 784 SD MET A 45 14.962 -23.707 2.563 1.00 1.32 S ATOM 785 CE MET A 45 15.248 -23.028 0.911 1.00 2.05 C ATOM 786 H MET A 45 13.313 -20.356 5.071 1.00 0.23 H ATOM 787 HA MET A 45 13.042 -23.269 4.543 1.00 0.26 H ATOM 788 HB2 MET A 45 15.359 -21.591 5.547 1.00 0.26 H ATOM 789 HB3 MET A 45 15.431 -23.333 5.282 1.00 0.27 H ATOM 790 HG2 MET A 45 14.596 -21.405 3.110 1.00 0.89 H ATOM 791 HG3 MET A 45 16.278 -21.871 3.362 1.00 0.97 H ATOM 792 HE1 MET A 45 14.311 -22.683 0.497 1.00 2.48 H ATOM 793 HE2 MET A 45 15.661 -23.793 0.273 1.00 2.56 H ATOM 794 HE3 MET A 45 15.943 -22.202 0.978 1.00 2.50 H ATOM 795 N LEU A 46 12.600 -21.980 7.394 1.00 0.24 N ATOM 796 CA LEU A 46 12.285 -22.269 8.822 1.00 0.25 C ATOM 797 C LEU A 46 11.045 -23.163 8.901 1.00 0.26 C ATOM 798 O LEU A 46 10.113 -23.031 8.131 1.00 0.27 O ATOM 799 CB LEU A 46 12.030 -20.960 9.568 1.00 0.24 C ATOM 800 CG LEU A 46 13.281 -20.082 9.497 1.00 0.23 C ATOM 801 CD1 LEU A 46 13.023 -18.777 10.246 1.00 0.21 C ATOM 802 CD2 LEU A 46 14.461 -20.817 10.142 1.00 0.24 C ATOM 803 H LEU A 46 12.348 -21.126 6.988 1.00 0.24 H ATOM 804 HA LEU A 46 13.103 -22.795 9.292 1.00 0.25 H ATOM 805 HB2 LEU A 46 11.200 -20.442 9.111 1.00 0.23 H ATOM 806 HB3 LEU A 46 11.799 -21.171 10.601 1.00 0.24 H ATOM 807 HG LEU A 46 13.509 -19.865 8.464 1.00 0.23 H ATOM 808 HD11 LEU A 46 12.782 -18.994 11.277 1.00 1.04 H ATOM 809 HD12 LEU A 46 12.199 -18.259 9.786 1.00 1.04 H ATOM 810 HD13 LEU A 46 13.908 -18.157 10.207 1.00 1.04 H ATOM 811 HD21 LEU A 46 15.174 -20.096 10.517 1.00 1.03 H ATOM 812 HD22 LEU A 46 14.940 -21.445 9.406 1.00 1.07 H ATOM 813 HD23 LEU A 46 14.104 -21.427 10.959 1.00 1.04 H ATOM 814 N THR A 47 11.047 -24.089 9.823 1.00 0.28 N ATOM 815 CA THR A 47 9.895 -25.024 9.965 1.00 0.29 C ATOM 816 C THR A 47 8.788 -24.380 10.800 1.00 0.29 C ATOM 817 O THR A 47 9.011 -23.431 11.524 1.00 0.28 O ATOM 818 CB THR A 47 10.372 -26.296 10.676 1.00 0.30 C ATOM 819 OG1 THR A 47 10.624 -26.003 12.043 1.00 0.35 O ATOM 820 CG2 THR A 47 11.657 -26.818 10.020 1.00 0.33 C ATOM 821 H THR A 47 11.824 -24.181 10.414 1.00 0.27 H ATOM 822 HA THR A 47 9.512 -25.295 8.992 1.00 0.29 H ATOM 823 HB THR A 47 9.606 -27.053 10.607 1.00 0.34 H ATOM 824 HG1 THR A 47 9.799 -25.717 12.441 1.00 0.96 H ATOM 825 HG21 THR A 47 11.627 -27.897 9.978 1.00 1.10 H ATOM 826 HG22 THR A 47 12.511 -26.507 10.604 1.00 1.03 H ATOM 827 HG23 THR A 47 11.745 -26.422 9.018 1.00 1.08 H ATOM 828 N GLU A 48 7.593 -24.893 10.695 1.00 0.30 N ATOM 829 CA GLU A 48 6.464 -24.315 11.474 1.00 0.31 C ATOM 830 C GLU A 48 6.815 -24.325 12.964 1.00 0.30 C ATOM 831 O GLU A 48 6.560 -23.375 13.677 1.00 0.30 O ATOM 832 CB GLU A 48 5.204 -25.152 11.243 1.00 0.32 C ATOM 833 CG GLU A 48 4.009 -24.460 11.903 1.00 0.33 C ATOM 834 CD GLU A 48 2.759 -25.326 11.738 1.00 1.24 C ATOM 835 OE1 GLU A 48 2.873 -26.390 11.154 1.00 1.88 O ATOM 836 OE2 GLU A 48 1.708 -24.907 12.198 1.00 1.49 O ATOM 837 H GLU A 48 7.449 -25.653 10.094 1.00 0.31 H ATOM 838 HA GLU A 48 6.281 -23.303 11.143 1.00 0.30 H ATOM 839 HB2 GLU A 48 5.025 -25.248 10.182 1.00 0.32 H ATOM 840 HB3 GLU A 48 5.335 -26.131 11.678 1.00 0.33 H ATOM 841 HG2 GLU A 48 4.212 -24.316 12.954 1.00 0.93 H ATOM 842 HG3 GLU A 48 3.845 -23.500 11.434 1.00 0.90 H ATOM 843 N ALA A 49 7.411 -25.391 13.439 1.00 0.31 N ATOM 844 CA ALA A 49 7.792 -25.465 14.879 1.00 0.31 C ATOM 845 C ALA A 49 8.836 -24.392 15.184 1.00 0.30 C ATOM 846 O ALA A 49 8.812 -23.761 16.221 1.00 0.29 O ATOM 847 CB ALA A 49 8.374 -26.846 15.183 1.00 0.33 C ATOM 848 H ALA A 49 7.615 -26.139 12.842 1.00 0.32 H ATOM 849 HA ALA A 49 6.919 -25.299 15.491 1.00 0.32 H ATOM 850 HB1 ALA A 49 7.763 -27.605 14.716 1.00 1.08 H ATOM 851 HB2 ALA A 49 8.389 -27.004 16.251 1.00 1.05 H ATOM 852 HB3 ALA A 49 9.380 -26.906 14.796 1.00 1.07 H ATOM 853 N GLU A 50 9.750 -24.179 14.279 1.00 0.29 N ATOM 854 CA GLU A 50 10.800 -23.144 14.499 1.00 0.28 C ATOM 855 C GLU A 50 10.156 -21.760 14.419 1.00 0.27 C ATOM 856 O GLU A 50 10.499 -20.862 15.160 1.00 0.26 O ATOM 857 CB GLU A 50 11.865 -23.269 13.405 1.00 0.28 C ATOM 858 CG GLU A 50 12.629 -24.586 13.570 1.00 0.32 C ATOM 859 CD GLU A 50 13.651 -24.453 14.700 1.00 1.29 C ATOM 860 OE1 GLU A 50 14.017 -23.332 15.011 1.00 2.10 O ATOM 861 OE2 GLU A 50 14.055 -25.474 15.231 1.00 1.53 O ATOM 862 H GLU A 50 9.744 -24.700 13.449 1.00 0.30 H ATOM 863 HA GLU A 50 11.252 -23.266 15.471 1.00 0.28 H ATOM 864 HB2 GLU A 50 11.388 -23.250 12.436 1.00 0.30 H ATOM 865 HB3 GLU A 50 12.557 -22.443 13.481 1.00 0.28 H ATOM 866 HG2 GLU A 50 11.933 -25.377 13.810 1.00 0.98 H ATOM 867 HG3 GLU A 50 13.141 -24.824 12.651 1.00 1.04 H ATOM 868 N LYS A 51 9.233 -21.579 13.518 1.00 0.27 N ATOM 869 CA LYS A 51 8.570 -20.255 13.378 1.00 0.26 C ATOM 870 C LYS A 51 7.490 -20.079 14.451 1.00 0.26 C ATOM 871 O LYS A 51 7.157 -18.969 14.814 1.00 0.26 O ATOM 872 CB LYS A 51 7.927 -20.156 11.993 1.00 0.27 C ATOM 873 CG LYS A 51 8.998 -20.347 10.915 1.00 0.26 C ATOM 874 CD LYS A 51 8.332 -20.495 9.542 1.00 0.30 C ATOM 875 CE LYS A 51 8.000 -19.115 8.972 1.00 0.32 C ATOM 876 NZ LYS A 51 7.170 -19.274 7.744 1.00 0.38 N ATOM 877 H LYS A 51 8.987 -22.316 12.922 1.00 0.28 H ATOM 878 HA LYS A 51 9.294 -19.466 13.501 1.00 0.25 H ATOM 879 HB2 LYS A 51 7.172 -20.924 11.895 1.00 0.28 H ATOM 880 HB3 LYS A 51 7.471 -19.185 11.879 1.00 0.26 H ATOM 881 HG2 LYS A 51 9.654 -19.488 10.906 1.00 0.24 H ATOM 882 HG3 LYS A 51 9.572 -21.236 11.131 1.00 0.28 H ATOM 883 HD2 LYS A 51 9.005 -21.008 8.871 1.00 0.30 H ATOM 884 HD3 LYS A 51 7.422 -21.068 9.642 1.00 0.35 H ATOM 885 HE2 LYS A 51 7.452 -18.543 9.704 1.00 0.48 H ATOM 886 HE3 LYS A 51 8.915 -18.599 8.723 1.00 0.39 H ATOM 887 HZ1 LYS A 51 6.225 -19.618 8.007 1.00 1.10 H ATOM 888 HZ2 LYS A 51 7.624 -19.958 7.106 1.00 1.07 H ATOM 889 HZ3 LYS A 51 7.080 -18.356 7.265 1.00 1.03 H ATOM 890 N TRP A 52 6.929 -21.142 14.959 1.00 0.27 N ATOM 891 CA TRP A 52 5.856 -20.984 15.985 1.00 0.28 C ATOM 892 C TRP A 52 6.270 -19.954 17.054 1.00 0.27 C ATOM 893 O TRP A 52 5.565 -18.987 17.262 1.00 0.27 O ATOM 894 CB TRP A 52 5.520 -22.339 16.616 1.00 0.31 C ATOM 895 CG TRP A 52 4.722 -22.138 17.865 1.00 0.44 C ATOM 896 CD1 TRP A 52 5.170 -22.372 19.119 1.00 0.60 C ATOM 897 CD2 TRP A 52 3.347 -21.673 18.002 1.00 0.61 C ATOM 898 NE1 TRP A 52 4.159 -22.082 20.018 1.00 0.80 N ATOM 899 CE2 TRP A 52 3.015 -21.647 19.378 1.00 0.81 C ATOM 900 CE3 TRP A 52 2.364 -21.276 17.076 1.00 0.69 C ATOM 901 CZ2 TRP A 52 1.755 -21.242 19.819 1.00 1.03 C ATOM 902 CZ3 TRP A 52 1.095 -20.868 17.517 1.00 0.93 C ATOM 903 CH2 TRP A 52 0.791 -20.851 18.885 1.00 1.08 C ATOM 904 H TRP A 52 7.190 -22.035 14.655 1.00 0.28 H ATOM 905 HA TRP A 52 4.987 -20.593 15.482 1.00 0.28 H ATOM 906 HB2 TRP A 52 4.943 -22.924 15.916 1.00 0.38 H ATOM 907 HB3 TRP A 52 6.432 -22.864 16.851 1.00 0.38 H ATOM 908 HD1 TRP A 52 6.156 -22.728 19.378 1.00 0.64 H ATOM 909 HE1 TRP A 52 4.226 -22.173 20.992 1.00 0.96 H ATOM 910 HE3 TRP A 52 2.589 -21.286 16.019 1.00 0.64 H ATOM 911 HZ2 TRP A 52 1.526 -21.230 20.874 1.00 1.20 H ATOM 912 HZ3 TRP A 52 0.349 -20.565 16.798 1.00 1.04 H ATOM 913 HH2 TRP A 52 -0.188 -20.535 19.218 1.00 1.27 H ATOM 914 N PRO A 53 7.388 -20.118 17.724 1.00 0.26 N ATOM 915 CA PRO A 53 7.828 -19.132 18.753 1.00 0.26 C ATOM 916 C PRO A 53 7.804 -17.697 18.206 1.00 0.24 C ATOM 917 O PRO A 53 7.404 -16.771 18.885 1.00 0.24 O ATOM 918 CB PRO A 53 9.260 -19.564 19.121 1.00 0.27 C ATOM 919 CG PRO A 53 9.643 -20.629 18.141 1.00 0.37 C ATOM 920 CD PRO A 53 8.345 -21.225 17.600 1.00 0.28 C ATOM 921 HA PRO A 53 7.197 -19.192 19.626 1.00 0.26 H ATOM 922 HB2 PRO A 53 9.938 -18.725 19.043 1.00 0.43 H ATOM 923 HB3 PRO A 53 9.281 -19.965 20.123 1.00 0.41 H ATOM 924 HG2 PRO A 53 10.219 -20.197 17.335 1.00 0.65 H ATOM 925 HG3 PRO A 53 10.216 -21.398 18.635 1.00 0.66 H ATOM 926 HD2 PRO A 53 8.472 -21.523 16.573 1.00 0.36 H ATOM 927 HD3 PRO A 53 8.033 -22.060 18.208 1.00 0.41 H ATOM 928 N PHE A 54 8.206 -17.506 16.979 1.00 0.24 N ATOM 929 CA PHE A 54 8.178 -16.136 16.386 1.00 0.24 C ATOM 930 C PHE A 54 6.725 -15.742 16.096 1.00 0.23 C ATOM 931 O PHE A 54 6.383 -14.577 16.094 1.00 0.23 O ATOM 932 CB PHE A 54 9.023 -16.098 15.114 1.00 0.24 C ATOM 933 CG PHE A 54 10.480 -16.204 15.500 1.00 0.24 C ATOM 934 CD1 PHE A 54 11.097 -15.146 16.179 1.00 0.25 C ATOM 935 CD2 PHE A 54 11.210 -17.358 15.195 1.00 0.27 C ATOM 936 CE1 PHE A 54 12.444 -15.242 16.550 1.00 0.25 C ATOM 937 CE2 PHE A 54 12.555 -17.456 15.567 1.00 0.27 C ATOM 938 CZ PHE A 54 13.173 -16.398 16.244 1.00 0.25 C ATOM 939 H PHE A 54 8.508 -18.266 16.439 1.00 0.25 H ATOM 940 HA PHE A 54 8.567 -15.420 17.096 1.00 0.23 H ATOM 941 HB2 PHE A 54 8.754 -16.928 14.475 1.00 0.25 H ATOM 942 HB3 PHE A 54 8.853 -15.168 14.593 1.00 0.24 H ATOM 943 HD1 PHE A 54 10.536 -14.255 16.416 1.00 0.26 H ATOM 944 HD2 PHE A 54 10.735 -18.173 14.673 1.00 0.30 H ATOM 945 HE1 PHE A 54 12.920 -14.426 17.073 1.00 0.28 H ATOM 946 HE2 PHE A 54 13.118 -18.348 15.331 1.00 0.30 H ATOM 947 HZ PHE A 54 14.212 -16.473 16.531 1.00 0.26 H ATOM 948 N PHE A 55 5.860 -16.697 15.903 1.00 0.24 N ATOM 949 CA PHE A 55 4.424 -16.362 15.675 1.00 0.24 C ATOM 950 C PHE A 55 3.801 -15.999 17.023 1.00 0.24 C ATOM 951 O PHE A 55 3.015 -15.080 17.133 1.00 0.24 O ATOM 952 CB PHE A 55 3.687 -17.579 15.089 1.00 0.26 C ATOM 953 CG PHE A 55 3.705 -17.519 13.575 1.00 0.27 C ATOM 954 CD1 PHE A 55 2.708 -16.803 12.900 1.00 0.74 C ATOM 955 CD2 PHE A 55 4.705 -18.174 12.848 1.00 0.68 C ATOM 956 CE1 PHE A 55 2.711 -16.742 11.502 1.00 0.75 C ATOM 957 CE2 PHE A 55 4.709 -18.113 11.449 1.00 0.68 C ATOM 958 CZ PHE A 55 3.712 -17.397 10.777 1.00 0.31 C ATOM 959 H PHE A 55 6.141 -17.636 15.945 1.00 0.25 H ATOM 960 HA PHE A 55 4.327 -15.530 14.990 1.00 0.24 H ATOM 961 HB2 PHE A 55 4.175 -18.481 15.417 1.00 0.26 H ATOM 962 HB3 PHE A 55 2.662 -17.581 15.432 1.00 0.26 H ATOM 963 HD1 PHE A 55 1.935 -16.298 13.460 1.00 1.22 H ATOM 964 HD2 PHE A 55 5.471 -18.726 13.363 1.00 1.16 H ATOM 965 HE1 PHE A 55 1.941 -16.191 10.984 1.00 1.24 H ATOM 966 HE2 PHE A 55 5.482 -18.618 10.890 1.00 1.16 H ATOM 967 HZ PHE A 55 3.716 -17.351 9.697 1.00 0.33 H ATOM 968 N GLN A 56 4.154 -16.724 18.048 1.00 0.23 N ATOM 969 CA GLN A 56 3.596 -16.441 19.399 1.00 0.23 C ATOM 970 C GLN A 56 4.040 -15.059 19.881 1.00 0.22 C ATOM 971 O GLN A 56 3.255 -14.295 20.407 1.00 0.22 O ATOM 972 CB GLN A 56 4.100 -17.502 20.382 1.00 0.24 C ATOM 973 CG GLN A 56 3.564 -17.202 21.795 1.00 0.24 C ATOM 974 CD GLN A 56 3.088 -18.496 22.464 1.00 1.21 C ATOM 975 OE1 GLN A 56 3.746 -19.515 22.386 1.00 1.98 O ATOM 976 NE2 GLN A 56 1.963 -18.496 23.125 1.00 1.95 N ATOM 977 H GLN A 56 4.791 -17.460 17.930 1.00 0.24 H ATOM 978 HA GLN A 56 2.518 -16.488 19.358 1.00 0.24 H ATOM 979 HB2 GLN A 56 3.759 -18.477 20.059 1.00 0.24 H ATOM 980 HB3 GLN A 56 5.180 -17.489 20.399 1.00 0.23 H ATOM 981 HG2 GLN A 56 4.352 -16.764 22.390 1.00 0.87 H ATOM 982 HG3 GLN A 56 2.737 -16.510 21.734 1.00 0.86 H ATOM 983 HE21 GLN A 56 1.434 -17.673 23.190 1.00 2.20 H ATOM 984 HE22 GLN A 56 1.647 -19.317 23.556 1.00 2.62 H ATOM 985 N GLU A 57 5.297 -14.734 19.725 1.00 0.22 N ATOM 986 CA GLU A 57 5.781 -13.410 20.198 1.00 0.21 C ATOM 987 C GLU A 57 5.129 -12.285 19.399 1.00 0.21 C ATOM 988 O GLU A 57 4.713 -11.294 19.959 1.00 0.20 O ATOM 989 CB GLU A 57 7.303 -13.337 20.050 1.00 0.22 C ATOM 990 CG GLU A 57 7.804 -12.017 20.642 1.00 0.21 C ATOM 991 CD GLU A 57 9.292 -12.134 20.972 1.00 1.24 C ATOM 992 OE1 GLU A 57 9.886 -13.133 20.600 1.00 1.87 O ATOM 993 OE2 GLU A 57 9.813 -11.226 21.599 1.00 1.52 O ATOM 994 H GLU A 57 5.925 -15.365 19.316 1.00 0.22 H ATOM 995 HA GLU A 57 5.526 -13.282 21.239 1.00 0.21 H ATOM 996 HB2 GLU A 57 7.756 -14.164 20.577 1.00 0.22 H ATOM 997 HB3 GLU A 57 7.568 -13.384 19.005 1.00 0.22 H ATOM 998 HG2 GLU A 57 7.659 -11.224 19.922 1.00 0.90 H ATOM 999 HG3 GLU A 57 7.253 -11.791 21.541 1.00 0.85 H ATOM 1000 N ALA A 58 5.022 -12.414 18.105 1.00 0.21 N ATOM 1001 CA ALA A 58 4.390 -11.324 17.323 1.00 0.21 C ATOM 1002 C ALA A 58 2.944 -11.181 17.780 1.00 0.21 C ATOM 1003 O ALA A 58 2.412 -10.090 17.855 1.00 0.21 O ATOM 1004 CB ALA A 58 4.451 -11.646 15.825 1.00 0.22 C ATOM 1005 H ALA A 58 5.351 -13.213 17.654 1.00 0.21 H ATOM 1006 HA ALA A 58 4.912 -10.400 17.523 1.00 0.21 H ATOM 1007 HB1 ALA A 58 3.527 -11.350 15.347 1.00 1.04 H ATOM 1008 HB2 ALA A 58 4.599 -12.708 15.692 1.00 1.05 H ATOM 1009 HB3 ALA A 58 5.274 -11.110 15.377 1.00 1.04 H ATOM 1010 N GLN A 59 2.307 -12.266 18.113 1.00 0.21 N ATOM 1011 CA GLN A 59 0.910 -12.159 18.590 1.00 0.21 C ATOM 1012 C GLN A 59 0.907 -11.405 19.922 1.00 0.21 C ATOM 1013 O GLN A 59 0.026 -10.612 20.186 1.00 0.20 O ATOM 1014 CB GLN A 59 0.276 -13.542 18.745 1.00 0.22 C ATOM 1015 CG GLN A 59 -1.221 -13.382 19.011 1.00 0.23 C ATOM 1016 CD GLN A 59 -1.911 -14.744 18.915 1.00 1.08 C ATOM 1017 OE1 GLN A 59 -1.274 -15.743 18.650 1.00 1.78 O ATOM 1018 NE2 GLN A 59 -3.199 -14.822 19.108 1.00 1.83 N ATOM 1019 H GLN A 59 2.756 -13.136 18.073 1.00 0.21 H ATOM 1020 HA GLN A 59 0.350 -11.570 17.886 1.00 0.21 H ATOM 1021 HB2 GLN A 59 0.423 -14.109 17.836 1.00 0.23 H ATOM 1022 HB3 GLN A 59 0.735 -14.060 19.572 1.00 0.22 H ATOM 1023 HG2 GLN A 59 -1.367 -12.976 20.002 1.00 0.81 H ATOM 1024 HG3 GLN A 59 -1.647 -12.712 18.281 1.00 0.81 H ATOM 1025 HE21 GLN A 59 -3.715 -14.015 19.313 1.00 2.12 H ATOM 1026 HE22 GLN A 59 -3.651 -15.690 19.046 1.00 2.44 H ATOM 1027 N LYS A 60 1.901 -11.605 20.748 1.00 0.20 N ATOM 1028 CA LYS A 60 1.954 -10.851 22.032 1.00 0.20 C ATOM 1029 C LYS A 60 2.110 -9.365 21.710 1.00 0.19 C ATOM 1030 O LYS A 60 1.466 -8.521 22.300 1.00 0.19 O ATOM 1031 CB LYS A 60 3.148 -11.332 22.859 1.00 0.20 C ATOM 1032 CG LYS A 60 3.134 -10.635 24.221 1.00 0.21 C ATOM 1033 CD LYS A 60 4.301 -11.140 25.069 1.00 1.02 C ATOM 1034 CE LYS A 60 4.277 -10.451 26.434 1.00 1.57 C ATOM 1035 NZ LYS A 60 5.247 -11.119 27.347 1.00 2.31 N ATOM 1036 H LYS A 60 2.632 -12.218 20.523 1.00 0.20 H ATOM 1037 HA LYS A 60 1.045 -10.991 22.598 1.00 0.20 H ATOM 1038 HB2 LYS A 60 3.082 -12.402 23.000 1.00 0.21 H ATOM 1039 HB3 LYS A 60 4.065 -11.092 22.343 1.00 0.20 H ATOM 1040 HG2 LYS A 60 3.228 -9.568 24.080 1.00 0.78 H ATOM 1041 HG3 LYS A 60 2.205 -10.851 24.726 1.00 0.74 H ATOM 1042 HD2 LYS A 60 4.209 -12.209 25.204 1.00 1.73 H ATOM 1043 HD3 LYS A 60 5.232 -10.918 24.571 1.00 1.60 H ATOM 1044 HE2 LYS A 60 4.551 -9.412 26.317 1.00 2.06 H ATOM 1045 HE3 LYS A 60 3.285 -10.516 26.854 1.00 2.07 H ATOM 1046 HZ1 LYS A 60 6.205 -11.052 26.947 1.00 2.75 H ATOM 1047 HZ2 LYS A 60 4.986 -12.121 27.458 1.00 2.76 H ATOM 1048 HZ3 LYS A 60 5.228 -10.650 28.274 1.00 2.72 H ATOM 1049 N LEU A 61 2.931 -9.044 20.745 1.00 0.19 N ATOM 1050 CA LEU A 61 3.093 -7.617 20.348 1.00 0.20 C ATOM 1051 C LEU A 61 1.735 -7.107 19.869 1.00 0.20 C ATOM 1052 O LEU A 61 1.354 -5.982 20.128 1.00 0.20 O ATOM 1053 CB LEU A 61 4.094 -7.509 19.190 1.00 0.21 C ATOM 1054 CG LEU A 61 5.441 -8.120 19.592 1.00 0.21 C ATOM 1055 CD1 LEU A 61 6.376 -8.149 18.375 1.00 0.24 C ATOM 1056 CD2 LEU A 61 6.085 -7.280 20.699 1.00 0.22 C ATOM 1057 H LEU A 61 3.408 -9.745 20.258 1.00 0.20 H ATOM 1058 HA LEU A 61 3.420 -7.006 21.176 1.00 0.20 H ATOM 1059 HB2 LEU A 61 3.704 -8.036 18.333 1.00 0.22 H ATOM 1060 HB3 LEU A 61 4.236 -6.469 18.937 1.00 0.21 H ATOM 1061 HG LEU A 61 5.286 -9.124 19.948 1.00 0.21 H ATOM 1062 HD11 LEU A 61 5.796 -8.297 17.477 1.00 1.04 H ATOM 1063 HD12 LEU A 61 7.081 -8.960 18.485 1.00 1.06 H ATOM 1064 HD13 LEU A 61 6.912 -7.214 18.307 1.00 1.04 H ATOM 1065 HD21 LEU A 61 5.715 -7.607 21.660 1.00 1.03 H ATOM 1066 HD22 LEU A 61 5.837 -6.239 20.553 1.00 1.06 H ATOM 1067 HD23 LEU A 61 7.159 -7.403 20.666 1.00 1.03 H ATOM 1068 N GLN A 62 1.002 -7.928 19.170 1.00 0.20 N ATOM 1069 CA GLN A 62 -0.332 -7.499 18.671 1.00 0.22 C ATOM 1070 C GLN A 62 -1.295 -7.308 19.846 1.00 0.22 C ATOM 1071 O GLN A 62 -2.107 -6.404 19.847 1.00 0.23 O ATOM 1072 CB GLN A 62 -0.886 -8.567 17.726 1.00 0.22 C ATOM 1073 CG GLN A 62 -2.196 -8.077 17.108 1.00 0.24 C ATOM 1074 CD GLN A 62 -2.841 -9.219 16.320 1.00 0.26 C ATOM 1075 OE1 GLN A 62 -3.072 -10.285 16.853 1.00 0.75 O ATOM 1076 NE2 GLN A 62 -3.146 -9.040 15.065 1.00 0.67 N ATOM 1077 H GLN A 62 1.327 -8.830 18.968 1.00 0.20 H ATOM 1078 HA GLN A 62 -0.228 -6.565 18.140 1.00 0.23 H ATOM 1079 HB2 GLN A 62 -0.168 -8.759 16.941 1.00 0.22 H ATOM 1080 HB3 GLN A 62 -1.068 -9.477 18.277 1.00 0.22 H ATOM 1081 HG2 GLN A 62 -2.866 -7.755 17.890 1.00 0.25 H ATOM 1082 HG3 GLN A 62 -1.995 -7.252 16.442 1.00 0.25 H ATOM 1083 HE21 GLN A 62 -2.963 -8.179 14.633 1.00 1.17 H ATOM 1084 HE22 GLN A 62 -3.558 -9.765 14.553 1.00 0.65 H ATOM 1085 N ALA A 63 -1.214 -8.141 20.852 1.00 0.21 N ATOM 1086 CA ALA A 63 -2.134 -7.974 22.012 1.00 0.22 C ATOM 1087 C ALA A 63 -1.681 -6.756 22.816 1.00 0.22 C ATOM 1088 O ALA A 63 -2.486 -5.943 23.227 1.00 0.22 O ATOM 1089 CB ALA A 63 -2.130 -9.243 22.880 1.00 0.22 C ATOM 1090 H ALA A 63 -0.544 -8.854 20.854 1.00 0.20 H ATOM 1091 HA ALA A 63 -3.128 -7.775 21.640 1.00 0.22 H ATOM 1092 HB1 ALA A 63 -1.848 -8.996 23.894 1.00 1.04 H ATOM 1093 HB2 ALA A 63 -1.423 -9.951 22.475 1.00 1.04 H ATOM 1094 HB3 ALA A 63 -3.117 -9.682 22.879 1.00 1.05 H ATOM 1095 N MET A 64 -0.406 -6.608 23.034 1.00 0.22 N ATOM 1096 CA MET A 64 0.078 -5.426 23.794 1.00 0.22 C ATOM 1097 C MET A 64 -0.303 -4.167 23.022 1.00 0.22 C ATOM 1098 O MET A 64 -0.704 -3.177 23.598 1.00 0.22 O ATOM 1099 CB MET A 64 1.598 -5.503 23.930 1.00 0.24 C ATOM 1100 CG MET A 64 2.070 -4.436 24.909 1.00 1.16 C ATOM 1101 SD MET A 64 3.877 -4.362 24.917 1.00 1.54 S ATOM 1102 CE MET A 64 4.166 -5.873 25.868 1.00 0.96 C ATOM 1103 H MET A 64 0.243 -7.264 22.703 1.00 0.22 H ATOM 1104 HA MET A 64 -0.373 -5.380 24.775 1.00 0.23 H ATOM 1105 HB2 MET A 64 1.875 -6.479 24.294 1.00 0.93 H ATOM 1106 HB3 MET A 64 2.054 -5.331 22.967 1.00 0.89 H ATOM 1107 HG2 MET A 64 1.673 -3.480 24.612 1.00 1.80 H ATOM 1108 HG3 MET A 64 1.715 -4.684 25.898 1.00 1.87 H ATOM 1109 HE1 MET A 64 3.565 -5.853 26.767 1.00 1.51 H ATOM 1110 HE2 MET A 64 5.207 -5.935 26.135 1.00 1.46 H ATOM 1111 HE3 MET A 64 3.899 -6.730 25.269 1.00 1.59 H ATOM 1112 N HIS A 65 -0.215 -4.204 21.722 1.00 0.22 N ATOM 1113 CA HIS A 65 -0.613 -3.012 20.931 1.00 0.22 C ATOM 1114 C HIS A 65 -2.121 -2.834 21.095 1.00 0.22 C ATOM 1115 O HIS A 65 -2.621 -1.739 21.254 1.00 0.22 O ATOM 1116 CB HIS A 65 -0.264 -3.224 19.455 1.00 0.22 C ATOM 1117 CG HIS A 65 -0.514 -1.954 18.690 1.00 0.23 C ATOM 1118 ND1 HIS A 65 0.356 -0.875 18.743 1.00 0.28 N ATOM 1119 CD2 HIS A 65 -1.531 -1.575 17.847 1.00 0.29 C ATOM 1120 CE1 HIS A 65 -0.146 0.092 17.954 1.00 0.31 C ATOM 1121 NE2 HIS A 65 -1.294 -0.285 17.387 1.00 0.31 N ATOM 1122 H HIS A 65 0.084 -5.020 21.272 1.00 0.22 H ATOM 1123 HA HIS A 65 -0.106 -2.137 21.312 1.00 0.22 H ATOM 1124 HB2 HIS A 65 0.777 -3.497 19.368 1.00 0.23 H ATOM 1125 HB3 HIS A 65 -0.879 -4.016 19.050 1.00 0.24 H ATOM 1126 HD2 HIS A 65 -2.383 -2.184 17.584 1.00 0.36 H ATOM 1127 HE1 HIS A 65 0.323 1.052 17.797 1.00 0.37 H ATOM 1128 HE2 HIS A 65 -1.852 0.238 16.774 1.00 0.36 H ATOM 1129 N ARG A 66 -2.846 -3.922 21.073 1.00 0.22 N ATOM 1130 CA ARG A 66 -4.317 -3.854 21.243 1.00 0.22 C ATOM 1131 C ARG A 66 -4.642 -3.311 22.629 1.00 0.22 C ATOM 1132 O ARG A 66 -5.614 -2.607 22.810 1.00 0.22 O ATOM 1133 CB ARG A 66 -4.930 -5.255 21.100 1.00 0.22 C ATOM 1134 CG ARG A 66 -6.456 -5.137 21.188 1.00 0.23 C ATOM 1135 CD ARG A 66 -7.115 -6.507 21.386 1.00 0.25 C ATOM 1136 NE ARG A 66 -7.760 -6.904 20.096 1.00 1.30 N ATOM 1137 CZ ARG A 66 -8.460 -7.997 20.014 1.00 2.06 C ATOM 1138 NH1 ARG A 66 -8.709 -8.692 21.090 1.00 2.36 N ATOM 1139 NH2 ARG A 66 -8.942 -8.380 18.863 1.00 3.11 N ATOM 1140 H ARG A 66 -2.419 -4.792 20.956 1.00 0.22 H ATOM 1141 HA ARG A 66 -4.753 -3.195 20.505 1.00 0.22 H ATOM 1142 HB2 ARG A 66 -4.652 -5.677 20.146 1.00 0.22 H ATOM 1143 HB3 ARG A 66 -4.571 -5.889 21.897 1.00 0.22 H ATOM 1144 HG2 ARG A 66 -6.713 -4.506 22.020 1.00 0.23 H ATOM 1145 HG3 ARG A 66 -6.827 -4.693 20.278 1.00 0.25 H ATOM 1146 HD2 ARG A 66 -6.386 -7.244 21.644 1.00 1.04 H ATOM 1147 HD3 ARG A 66 -7.843 -6.442 22.195 1.00 1.02 H ATOM 1148 HE ARG A 66 -7.624 -6.355 19.298 1.00 1.99 H ATOM 1149 HH11 ARG A 66 -8.364 -8.385 21.978 1.00 2.12 H ATOM 1150 HH12 ARG A 66 -9.254 -9.528 21.029 1.00 3.24 H ATOM 1151 HH21 ARG A 66 -8.774 -7.833 18.043 1.00 3.47 H ATOM 1152 HH22 ARG A 66 -9.484 -9.218 18.802 1.00 3.77 H ATOM 1153 N GLU A 67 -3.864 -3.643 23.619 1.00 0.22 N ATOM 1154 CA GLU A 67 -4.187 -3.144 24.977 1.00 0.22 C ATOM 1155 C GLU A 67 -3.993 -1.630 25.012 1.00 0.22 C ATOM 1156 O GLU A 67 -4.669 -0.923 25.732 1.00 0.22 O ATOM 1157 CB GLU A 67 -3.284 -3.822 26.010 1.00 0.23 C ATOM 1158 CG GLU A 67 -3.758 -3.451 27.417 1.00 0.23 C ATOM 1159 CD GLU A 67 -2.877 -4.148 28.455 1.00 1.18 C ATOM 1160 OE1 GLU A 67 -1.981 -4.871 28.052 1.00 1.79 O ATOM 1161 OE2 GLU A 67 -3.116 -3.948 29.634 1.00 1.46 O ATOM 1162 H GLU A 67 -3.090 -4.230 23.483 1.00 0.22 H ATOM 1163 HA GLU A 67 -5.215 -3.379 25.194 1.00 0.23 H ATOM 1164 HB2 GLU A 67 -3.333 -4.894 25.883 1.00 0.23 H ATOM 1165 HB3 GLU A 67 -2.267 -3.488 25.874 1.00 0.22 H ATOM 1166 HG2 GLU A 67 -3.692 -2.381 27.548 1.00 0.85 H ATOM 1167 HG3 GLU A 67 -4.782 -3.767 27.546 1.00 0.88 H ATOM 1168 N LYS A 68 -3.089 -1.125 24.222 1.00 0.21 N ATOM 1169 CA LYS A 68 -2.867 0.346 24.190 1.00 0.21 C ATOM 1170 C LYS A 68 -4.009 0.993 23.402 1.00 0.21 C ATOM 1171 O LYS A 68 -4.550 2.009 23.792 1.00 0.22 O ATOM 1172 CB LYS A 68 -1.531 0.641 23.505 1.00 0.21 C ATOM 1173 CG LYS A 68 -1.171 2.119 23.693 1.00 0.23 C ATOM 1174 CD LYS A 68 0.222 2.403 23.101 1.00 0.32 C ATOM 1175 CE LYS A 68 1.265 2.475 24.222 1.00 1.09 C ATOM 1176 NZ LYS A 68 2.574 2.909 23.658 1.00 1.80 N ATOM 1177 H LYS A 68 -2.562 -1.712 23.641 1.00 0.21 H ATOM 1178 HA LYS A 68 -2.856 0.749 25.191 1.00 0.22 H ATOM 1179 HB2 LYS A 68 -0.759 0.024 23.942 1.00 0.23 H ATOM 1180 HB3 LYS A 68 -1.611 0.424 22.450 1.00 0.22 H ATOM 1181 HG2 LYS A 68 -1.907 2.729 23.186 1.00 0.26 H ATOM 1182 HG3 LYS A 68 -1.175 2.357 24.746 1.00 0.27 H ATOM 1183 HD2 LYS A 68 0.493 1.617 22.410 1.00 1.04 H ATOM 1184 HD3 LYS A 68 0.202 3.345 22.576 1.00 0.95 H ATOM 1185 HE2 LYS A 68 0.942 3.186 24.969 1.00 1.71 H ATOM 1186 HE3 LYS A 68 1.373 1.501 24.676 1.00 1.81 H ATOM 1187 HZ1 LYS A 68 2.580 2.744 22.631 1.00 2.35 H ATOM 1188 HZ2 LYS A 68 3.341 2.365 24.103 1.00 2.20 H ATOM 1189 HZ3 LYS A 68 2.714 3.923 23.844 1.00 2.30 H ATOM 1190 N TYR A 69 -4.397 0.396 22.308 1.00 0.21 N ATOM 1191 CA TYR A 69 -5.523 0.951 21.501 1.00 0.22 C ATOM 1192 C TYR A 69 -6.491 -0.187 21.148 1.00 0.22 C ATOM 1193 O TYR A 69 -6.475 -0.709 20.051 1.00 0.28 O ATOM 1194 CB TYR A 69 -4.980 1.581 20.217 1.00 0.23 C ATOM 1195 CG TYR A 69 -3.842 2.515 20.550 1.00 0.29 C ATOM 1196 CD1 TYR A 69 -4.100 3.729 21.198 1.00 0.36 C ATOM 1197 CD2 TYR A 69 -2.529 2.173 20.203 1.00 0.36 C ATOM 1198 CE1 TYR A 69 -3.047 4.600 21.501 1.00 0.44 C ATOM 1199 CE2 TYR A 69 -1.476 3.046 20.504 1.00 0.45 C ATOM 1200 CZ TYR A 69 -1.735 4.259 21.154 1.00 0.48 C ATOM 1201 OH TYR A 69 -0.698 5.120 21.449 1.00 0.59 O ATOM 1202 H TYR A 69 -3.961 -0.434 22.023 1.00 0.21 H ATOM 1203 HA TYR A 69 -6.050 1.701 22.075 1.00 0.22 H ATOM 1204 HB2 TYR A 69 -4.627 0.804 19.555 1.00 0.24 H ATOM 1205 HB3 TYR A 69 -5.768 2.139 19.734 1.00 0.23 H ATOM 1206 HD1 TYR A 69 -5.113 3.992 21.466 1.00 0.38 H ATOM 1207 HD2 TYR A 69 -2.329 1.237 19.702 1.00 0.37 H ATOM 1208 HE1 TYR A 69 -3.247 5.536 22.002 1.00 0.51 H ATOM 1209 HE2 TYR A 69 -0.463 2.782 20.236 1.00 0.53 H ATOM 1210 HH TYR A 69 -0.361 5.472 20.622 1.00 1.03 H ATOM 1211 N PRO A 70 -7.314 -0.576 22.086 1.00 0.24 N ATOM 1212 CA PRO A 70 -8.298 -1.683 21.896 1.00 0.25 C ATOM 1213 C PRO A 70 -9.368 -1.366 20.843 1.00 0.26 C ATOM 1214 O PRO A 70 -10.006 -2.255 20.314 1.00 0.26 O ATOM 1215 CB PRO A 70 -8.949 -1.877 23.280 1.00 0.26 C ATOM 1216 CG PRO A 70 -8.212 -0.989 24.241 1.00 0.60 C ATOM 1217 CD PRO A 70 -7.391 0.011 23.427 1.00 0.34 C ATOM 1218 HA PRO A 70 -7.786 -2.586 21.619 1.00 0.24 H ATOM 1219 HB2 PRO A 70 -9.995 -1.600 23.246 1.00 0.43 H ATOM 1220 HB3 PRO A 70 -8.855 -2.909 23.590 1.00 0.43 H ATOM 1221 HG2 PRO A 70 -8.919 -0.458 24.865 1.00 0.97 H ATOM 1222 HG3 PRO A 70 -7.551 -1.578 24.860 1.00 0.96 H ATOM 1223 HD2 PRO A 70 -7.890 0.969 23.396 1.00 0.42 H ATOM 1224 HD3 PRO A 70 -6.401 0.114 23.845 1.00 0.38 H ATOM 1225 N ASN A 71 -9.583 -0.117 20.548 1.00 0.25 N ATOM 1226 CA ASN A 71 -10.628 0.242 19.544 1.00 0.26 C ATOM 1227 C ASN A 71 -9.966 0.640 18.226 1.00 0.26 C ATOM 1228 O ASN A 71 -10.586 1.231 17.365 1.00 0.27 O ATOM 1229 CB ASN A 71 -11.443 1.423 20.076 1.00 0.27 C ATOM 1230 CG ASN A 71 -12.658 1.658 19.178 1.00 0.31 C ATOM 1231 OD1 ASN A 71 -12.539 2.231 18.113 1.00 1.18 O ATOM 1232 ND2 ASN A 71 -13.832 1.246 19.569 1.00 1.02 N ATOM 1233 H ASN A 71 -9.069 0.586 21.000 1.00 0.25 H ATOM 1234 HA ASN A 71 -11.283 -0.601 19.382 1.00 0.27 H ATOM 1235 HB2 ASN A 71 -11.775 1.207 21.082 1.00 0.29 H ATOM 1236 HB3 ASN A 71 -10.827 2.311 20.085 1.00 0.28 H ATOM 1237 HD21 ASN A 71 -13.930 0.790 20.431 1.00 1.85 H ATOM 1238 HD22 ASN A 71 -14.617 1.392 19.001 1.00 0.99 H ATOM 1239 N TYR A 72 -8.711 0.329 18.060 1.00 0.26 N ATOM 1240 CA TYR A 72 -8.011 0.695 16.803 1.00 0.26 C ATOM 1241 C TYR A 72 -8.513 -0.142 15.623 1.00 0.28 C ATOM 1242 O TYR A 72 -8.896 -1.286 15.767 1.00 0.30 O ATOM 1243 CB TYR A 72 -6.515 0.450 16.972 1.00 0.26 C ATOM 1244 CG TYR A 72 -5.791 1.009 15.777 1.00 0.28 C ATOM 1245 CD1 TYR A 72 -5.430 2.360 15.753 1.00 0.29 C ATOM 1246 CD2 TYR A 72 -5.488 0.182 14.691 1.00 0.30 C ATOM 1247 CE1 TYR A 72 -4.767 2.885 14.641 1.00 0.32 C ATOM 1248 CE2 TYR A 72 -4.823 0.706 13.579 1.00 0.33 C ATOM 1249 CZ TYR A 72 -4.462 2.059 13.553 1.00 0.33 C ATOM 1250 OH TYR A 72 -3.807 2.578 12.454 1.00 0.36 O ATOM 1251 H TYR A 72 -8.213 -0.149 18.754 1.00 0.26 H ATOM 1252 HA TYR A 72 -8.172 1.745 16.606 1.00 0.26 H ATOM 1253 HB2 TYR A 72 -6.167 0.939 17.868 1.00 0.26 H ATOM 1254 HB3 TYR A 72 -6.327 -0.612 17.043 1.00 0.27 H ATOM 1255 HD1 TYR A 72 -5.664 2.997 16.593 1.00 0.30 H ATOM 1256 HD2 TYR A 72 -5.768 -0.861 14.712 1.00 0.31 H ATOM 1257 HE1 TYR A 72 -4.490 3.927 14.624 1.00 0.34 H ATOM 1258 HE2 TYR A 72 -4.590 0.068 12.742 1.00 0.35 H ATOM 1259 HH TYR A 72 -3.399 1.849 11.980 1.00 0.94 H ATOM 1260 N LYS A 73 -8.450 0.416 14.450 1.00 0.28 N ATOM 1261 CA LYS A 73 -8.852 -0.347 13.230 1.00 0.30 C ATOM 1262 C LYS A 73 -7.837 -0.085 12.127 1.00 0.33 C ATOM 1263 O LYS A 73 -7.418 1.035 11.911 1.00 0.34 O ATOM 1264 CB LYS A 73 -10.242 0.060 12.730 1.00 0.28 C ATOM 1265 CG LYS A 73 -10.590 -0.815 11.516 1.00 0.38 C ATOM 1266 CD LYS A 73 -11.935 -0.407 10.919 1.00 0.87 C ATOM 1267 CE LYS A 73 -12.199 -1.257 9.670 1.00 0.70 C ATOM 1268 NZ LYS A 73 -13.645 -1.187 9.314 1.00 1.45 N ATOM 1269 H LYS A 73 -8.085 1.326 14.383 1.00 0.28 H ATOM 1270 HA LYS A 73 -8.851 -1.404 13.460 1.00 0.32 H ATOM 1271 HB2 LYS A 73 -10.970 -0.092 13.515 1.00 0.25 H ATOM 1272 HB3 LYS A 73 -10.234 1.099 12.435 1.00 0.32 H ATOM 1273 HG2 LYS A 73 -9.827 -0.708 10.761 1.00 1.00 H ATOM 1274 HG3 LYS A 73 -10.640 -1.849 11.826 1.00 1.10 H ATOM 1275 HD2 LYS A 73 -12.719 -0.574 11.644 1.00 1.52 H ATOM 1276 HD3 LYS A 73 -11.910 0.636 10.645 1.00 1.48 H ATOM 1277 HE2 LYS A 73 -11.605 -0.884 8.845 1.00 1.01 H ATOM 1278 HE3 LYS A 73 -11.927 -2.283 9.868 1.00 1.04 H ATOM 1279 HZ1 LYS A 73 -14.126 -0.518 9.947 1.00 1.94 H ATOM 1280 HZ2 LYS A 73 -14.071 -2.130 9.416 1.00 1.97 H ATOM 1281 HZ3 LYS A 73 -13.745 -0.864 8.331 1.00 1.97 H ATOM 1282 N TYR A 74 -7.462 -1.098 11.403 1.00 0.36 N ATOM 1283 CA TYR A 74 -6.510 -0.888 10.294 1.00 0.40 C ATOM 1284 C TYR A 74 -7.296 -0.372 9.089 1.00 0.39 C ATOM 1285 O TYR A 74 -8.169 -1.041 8.573 1.00 0.38 O ATOM 1286 CB TYR A 74 -5.824 -2.217 9.970 1.00 0.46 C ATOM 1287 CG TYR A 74 -5.008 -2.108 8.702 1.00 0.56 C ATOM 1288 CD1 TYR A 74 -4.171 -1.007 8.472 1.00 1.02 C ATOM 1289 CD2 TYR A 74 -5.086 -3.130 7.756 1.00 0.31 C ATOM 1290 CE1 TYR A 74 -3.417 -0.940 7.297 1.00 1.17 C ATOM 1291 CE2 TYR A 74 -4.334 -3.062 6.581 1.00 0.47 C ATOM 1292 CZ TYR A 74 -3.498 -1.967 6.350 1.00 0.89 C ATOM 1293 OH TYR A 74 -2.746 -1.902 5.195 1.00 1.07 O ATOM 1294 H TYR A 74 -7.832 -1.990 11.556 1.00 0.37 H ATOM 1295 HA TYR A 74 -5.773 -0.161 10.591 1.00 0.41 H ATOM 1296 HB2 TYR A 74 -5.174 -2.490 10.787 1.00 0.59 H ATOM 1297 HB3 TYR A 74 -6.576 -2.982 9.844 1.00 0.38 H ATOM 1298 HD1 TYR A 74 -4.098 -0.213 9.196 1.00 1.27 H ATOM 1299 HD2 TYR A 74 -5.732 -3.973 7.934 1.00 0.29 H ATOM 1300 HE1 TYR A 74 -2.778 -0.093 7.119 1.00 1.54 H ATOM 1301 HE2 TYR A 74 -4.398 -3.856 5.854 1.00 0.39 H ATOM 1302 HH TYR A 74 -1.984 -2.477 5.304 1.00 1.38 H ATOM 1303 N ARG A 75 -7.001 0.820 8.651 1.00 0.39 N ATOM 1304 CA ARG A 75 -7.739 1.400 7.488 1.00 0.39 C ATOM 1305 C ARG A 75 -6.743 1.762 6.386 1.00 0.38 C ATOM 1306 O ARG A 75 -6.165 2.832 6.393 1.00 0.41 O ATOM 1307 CB ARG A 75 -8.516 2.634 7.947 1.00 0.39 C ATOM 1308 CG ARG A 75 -9.281 2.280 9.227 1.00 0.48 C ATOM 1309 CD ARG A 75 -10.440 3.254 9.436 1.00 0.52 C ATOM 1310 NE ARG A 75 -9.903 4.596 9.795 1.00 1.52 N ATOM 1311 CZ ARG A 75 -10.688 5.637 9.780 1.00 2.17 C ATOM 1312 NH1 ARG A 75 -11.951 5.495 9.478 1.00 2.31 N ATOM 1313 NH2 ARG A 75 -10.216 6.817 10.073 1.00 3.29 N ATOM 1314 H ARG A 75 -6.295 1.328 9.102 1.00 0.40 H ATOM 1315 HA ARG A 75 -8.426 0.673 7.104 1.00 0.38 H ATOM 1316 HB2 ARG A 75 -7.827 3.443 8.145 1.00 0.45 H ATOM 1317 HB3 ARG A 75 -9.215 2.929 7.180 1.00 0.43 H ATOM 1318 HG2 ARG A 75 -9.668 1.275 9.145 1.00 0.58 H ATOM 1319 HG3 ARG A 75 -8.610 2.337 10.072 1.00 0.62 H ATOM 1320 HD2 ARG A 75 -11.016 3.331 8.528 1.00 1.15 H ATOM 1321 HD3 ARG A 75 -11.074 2.889 10.231 1.00 1.14 H ATOM 1322 HE ARG A 75 -8.959 4.697 10.033 1.00 2.24 H ATOM 1323 HH11 ARG A 75 -12.314 4.590 9.259 1.00 2.03 H ATOM 1324 HH12 ARG A 75 -12.555 6.292 9.468 1.00 3.15 H ATOM 1325 HH21 ARG A 75 -9.250 6.922 10.310 1.00 3.74 H ATOM 1326 HH22 ARG A 75 -10.820 7.614 10.062 1.00 3.90 H ATOM 1327 N PRO A 76 -6.521 0.861 5.453 1.00 0.34 N ATOM 1328 CA PRO A 76 -5.558 1.088 4.351 1.00 0.33 C ATOM 1329 C PRO A 76 -6.098 2.029 3.276 1.00 0.33 C ATOM 1330 O PRO A 76 -7.285 2.123 3.038 1.00 0.33 O ATOM 1331 CB PRO A 76 -5.307 -0.310 3.778 1.00 0.31 C ATOM 1332 CG PRO A 76 -6.519 -1.116 4.122 1.00 0.30 C ATOM 1333 CD PRO A 76 -7.169 -0.464 5.343 1.00 0.32 C ATOM 1334 HA PRO A 76 -4.640 1.486 4.748 1.00 0.35 H ATOM 1335 HB2 PRO A 76 -5.181 -0.258 2.705 1.00 0.30 H ATOM 1336 HB3 PRO A 76 -4.435 -0.745 4.234 1.00 0.33 H ATOM 1337 HG2 PRO A 76 -7.212 -1.115 3.290 1.00 0.28 H ATOM 1338 HG3 PRO A 76 -6.238 -2.129 4.364 1.00 0.30 H ATOM 1339 HD2 PRO A 76 -8.232 -0.357 5.176 1.00 0.30 H ATOM 1340 HD3 PRO A 76 -6.979 -1.046 6.231 1.00 0.34 H ATOM 1341 N ARG A 77 -5.209 2.717 2.628 1.00 0.33 N ATOM 1342 CA ARG A 77 -5.612 3.662 1.550 1.00 0.33 C ATOM 1343 C ARG A 77 -5.779 2.876 0.249 1.00 0.30 C ATOM 1344 O ARG A 77 -4.817 2.470 -0.369 1.00 0.26 O ATOM 1345 CB ARG A 77 -4.507 4.714 1.380 1.00 0.36 C ATOM 1346 CG ARG A 77 -4.854 5.699 0.246 1.00 0.40 C ATOM 1347 CD ARG A 77 -3.620 6.544 -0.107 1.00 1.17 C ATOM 1348 NE ARG A 77 -3.759 7.893 0.546 1.00 1.79 N ATOM 1349 CZ ARG A 77 -4.308 8.900 -0.057 1.00 2.47 C ATOM 1350 NH1 ARG A 77 -4.691 8.787 -1.300 1.00 2.82 N ATOM 1351 NH2 ARG A 77 -4.452 10.037 0.569 1.00 3.40 N ATOM 1352 H ARG A 77 -4.266 2.603 2.851 1.00 0.33 H ATOM 1353 HA ARG A 77 -6.544 4.143 1.808 1.00 0.35 H ATOM 1354 HB2 ARG A 77 -4.392 5.262 2.304 1.00 0.39 H ATOM 1355 HB3 ARG A 77 -3.580 4.212 1.146 1.00 0.33 H ATOM 1356 HG2 ARG A 77 -5.174 5.150 -0.627 1.00 0.89 H ATOM 1357 HG3 ARG A 77 -5.651 6.351 0.570 1.00 0.80 H ATOM 1358 HD2 ARG A 77 -2.740 6.110 0.301 1.00 1.82 H ATOM 1359 HD3 ARG A 77 -3.511 6.578 -1.199 1.00 1.78 H ATOM 1360 HE ARG A 77 -3.443 8.009 1.465 1.00 2.31 H ATOM 1361 HH11 ARG A 77 -4.562 7.924 -1.788 1.00 2.63 H ATOM 1362 HH12 ARG A 77 -5.107 9.568 -1.767 1.00 3.64 H ATOM 1363 HH21 ARG A 77 -4.140 10.130 1.515 1.00 3.71 H ATOM 1364 HH22 ARG A 77 -4.871 10.816 0.101 1.00 4.05 H ATOM 1365 N ARG A 78 -6.994 2.669 -0.173 1.00 0.36 N ATOM 1366 CA ARG A 78 -7.232 1.919 -1.438 1.00 0.34 C ATOM 1367 C ARG A 78 -7.110 2.873 -2.624 1.00 0.37 C ATOM 1368 O ARG A 78 -7.286 4.069 -2.499 1.00 0.42 O ATOM 1369 CB ARG A 78 -8.636 1.299 -1.425 1.00 0.39 C ATOM 1370 CG ARG A 78 -8.703 0.139 -0.416 1.00 0.39 C ATOM 1371 CD ARG A 78 -8.021 -1.110 -0.983 1.00 0.42 C ATOM 1372 NE ARG A 78 -8.581 -1.370 -2.358 1.00 0.52 N ATOM 1373 CZ ARG A 78 -9.440 -2.309 -2.603 1.00 1.06 C ATOM 1374 NH1 ARG A 78 -9.820 -3.116 -1.650 1.00 2.03 N ATOM 1375 NH2 ARG A 78 -9.913 -2.459 -3.810 1.00 1.09 N ATOM 1376 H ARG A 78 -7.754 3.015 0.340 1.00 0.43 H ATOM 1377 HA ARG A 78 -6.499 1.139 -1.558 1.00 0.30 H ATOM 1378 HB2 ARG A 78 -9.355 2.056 -1.145 1.00 0.41 H ATOM 1379 HB3 ARG A 78 -8.873 0.933 -2.411 1.00 0.43 H ATOM 1380 HG2 ARG A 78 -8.205 0.432 0.497 1.00 0.35 H ATOM 1381 HG3 ARG A 78 -9.737 -0.086 -0.202 1.00 0.42 H ATOM 1382 HD2 ARG A 78 -6.983 -0.947 -1.108 1.00 0.42 H ATOM 1383 HD3 ARG A 78 -8.150 -1.937 -0.269 1.00 0.45 H ATOM 1384 HE ARG A 78 -8.294 -0.793 -3.097 1.00 1.08 H ATOM 1385 HH11 ARG A 78 -9.450 -3.010 -0.728 1.00 2.08 H ATOM 1386 HH12 ARG A 78 -10.479 -3.842 -1.843 1.00 2.79 H ATOM 1387 HH21 ARG A 78 -9.614 -1.849 -4.543 1.00 0.80 H ATOM 1388 HH22 ARG A 78 -10.573 -3.185 -4.002 1.00 1.77 H ATOM 1389 N LYS A 79 -6.791 2.346 -3.773 1.00 0.36 N ATOM 1390 CA LYS A 79 -6.629 3.200 -4.979 1.00 0.41 C ATOM 1391 C LYS A 79 -8.000 3.468 -5.594 1.00 0.50 C ATOM 1392 O LYS A 79 -8.870 2.621 -5.581 1.00 0.51 O ATOM 1393 CB LYS A 79 -5.778 2.449 -6.008 1.00 0.39 C ATOM 1394 CG LYS A 79 -4.622 1.735 -5.301 1.00 0.46 C ATOM 1395 CD LYS A 79 -3.789 0.940 -6.332 1.00 0.45 C ATOM 1396 CE LYS A 79 -2.549 1.737 -6.793 1.00 1.00 C ATOM 1397 NZ LYS A 79 -2.618 1.943 -8.267 1.00 1.81 N ATOM 1398 H LYS A 79 -6.640 1.380 -3.841 1.00 0.33 H ATOM 1399 HA LYS A 79 -6.149 4.132 -4.724 1.00 0.44 H ATOM 1400 HB2 LYS A 79 -6.392 1.721 -6.518 1.00 0.46 H ATOM 1401 HB3 LYS A 79 -5.379 3.150 -6.725 1.00 0.49 H ATOM 1402 HG2 LYS A 79 -4.009 2.464 -4.797 1.00 0.62 H ATOM 1403 HG3 LYS A 79 -5.024 1.048 -4.570 1.00 0.61 H ATOM 1404 HD2 LYS A 79 -3.471 0.009 -5.886 1.00 0.66 H ATOM 1405 HD3 LYS A 79 -4.405 0.719 -7.193 1.00 0.72 H ATOM 1406 HE2 LYS A 79 -2.510 2.698 -6.305 1.00 1.51 H ATOM 1407 HE3 LYS A 79 -1.655 1.180 -6.555 1.00 1.47 H ATOM 1408 HZ1 LYS A 79 -1.893 2.629 -8.555 1.00 2.29 H ATOM 1409 HZ2 LYS A 79 -3.560 2.305 -8.521 1.00 2.23 H ATOM 1410 HZ3 LYS A 79 -2.450 1.040 -8.753 1.00 2.33 H ATOM 1411 N ALA A 80 -8.203 4.643 -6.119 1.00 0.58 N ATOM 1412 CA ALA A 80 -9.531 4.952 -6.719 1.00 0.69 C ATOM 1413 C ALA A 80 -9.931 3.765 -7.599 1.00 0.72 C ATOM 1414 O ALA A 80 -9.534 3.680 -8.744 1.00 0.77 O ATOM 1415 CB ALA A 80 -9.398 6.213 -7.586 1.00 0.75 C ATOM 1416 H ALA A 80 -7.495 5.323 -6.097 1.00 0.58 H ATOM 1417 HA ALA A 80 -10.239 5.140 -5.924 1.00 0.72 H ATOM 1418 HB1 ALA A 80 -9.770 7.068 -7.040 1.00 1.24 H ATOM 1419 HB2 ALA A 80 -9.969 6.096 -8.497 1.00 1.26 H ATOM 1420 HB3 ALA A 80 -8.358 6.371 -7.834 1.00 1.32 H ATOM 1421 N LYS A 81 -10.674 2.827 -7.068 1.00 0.76 N ATOM 1422 CA LYS A 81 -11.046 1.624 -7.874 1.00 0.80 C ATOM 1423 C LYS A 81 -12.556 1.578 -8.123 1.00 0.95 C ATOM 1424 O LYS A 81 -13.341 1.327 -7.230 1.00 1.13 O ATOM 1425 CB LYS A 81 -10.600 0.373 -7.108 1.00 0.76 C ATOM 1426 CG LYS A 81 -10.490 -0.816 -8.067 1.00 0.79 C ATOM 1427 CD LYS A 81 -9.997 -2.052 -7.299 1.00 0.95 C ATOM 1428 CE LYS A 81 -8.508 -1.900 -6.926 1.00 0.73 C ATOM 1429 NZ LYS A 81 -7.770 -3.128 -7.337 1.00 1.70 N ATOM 1430 H LYS A 81 -10.963 2.898 -6.135 1.00 0.82 H ATOM 1431 HA LYS A 81 -10.535 1.652 -8.826 1.00 0.83 H ATOM 1432 HB2 LYS A 81 -9.638 0.557 -6.652 1.00 0.73 H ATOM 1433 HB3 LYS A 81 -11.323 0.146 -6.339 1.00 0.82 H ATOM 1434 HG2 LYS A 81 -11.461 -1.021 -8.495 1.00 1.05 H ATOM 1435 HG3 LYS A 81 -9.792 -0.579 -8.855 1.00 1.04 H ATOM 1436 HD2 LYS A 81 -10.583 -2.169 -6.399 1.00 1.64 H ATOM 1437 HD3 LYS A 81 -10.119 -2.928 -7.920 1.00 1.60 H ATOM 1438 HE2 LYS A 81 -8.083 -1.044 -7.430 1.00 1.19 H ATOM 1439 HE3 LYS A 81 -8.410 -1.769 -5.856 1.00 1.16 H ATOM 1440 HZ1 LYS A 81 -7.712 -3.168 -8.373 1.00 2.25 H ATOM 1441 HZ2 LYS A 81 -8.272 -3.968 -6.984 1.00 2.25 H ATOM 1442 HZ3 LYS A 81 -6.809 -3.105 -6.939 1.00 2.17 H ATOM 1443 N MET A 82 -12.956 1.792 -9.347 1.00 1.07 N ATOM 1444 CA MET A 82 -14.404 1.735 -9.703 1.00 1.25 C ATOM 1445 C MET A 82 -14.533 0.883 -10.967 1.00 1.40 C ATOM 1446 O MET A 82 -14.218 1.324 -12.054 1.00 1.88 O ATOM 1447 CB MET A 82 -14.929 3.150 -9.968 1.00 1.63 C ATOM 1448 CG MET A 82 -16.444 3.105 -10.178 1.00 1.86 C ATOM 1449 SD MET A 82 -17.045 4.762 -10.589 1.00 2.54 S ATOM 1450 CE MET A 82 -18.787 4.327 -10.810 1.00 3.01 C ATOM 1451 H MET A 82 -12.295 1.971 -10.047 1.00 1.15 H ATOM 1452 HA MET A 82 -14.962 1.279 -8.898 1.00 1.29 H ATOM 1453 HB2 MET A 82 -14.701 3.781 -9.121 1.00 1.73 H ATOM 1454 HB3 MET A 82 -14.457 3.550 -10.853 1.00 1.82 H ATOM 1455 HG2 MET A 82 -16.676 2.428 -10.986 1.00 2.06 H ATOM 1456 HG3 MET A 82 -16.923 2.762 -9.273 1.00 2.03 H ATOM 1457 HE1 MET A 82 -19.408 5.079 -10.342 1.00 3.38 H ATOM 1458 HE2 MET A 82 -18.982 3.369 -10.354 1.00 3.38 H ATOM 1459 HE3 MET A 82 -19.013 4.274 -11.866 1.00 3.30 H ATOM 1460 N LEU A 83 -14.949 -0.346 -10.831 1.00 1.50 N ATOM 1461 CA LEU A 83 -15.046 -1.234 -12.025 1.00 1.86 C ATOM 1462 C LEU A 83 -16.460 -1.204 -12.632 1.00 1.99 C ATOM 1463 O LEU A 83 -17.437 -1.384 -11.931 1.00 2.31 O ATOM 1464 CB LEU A 83 -14.722 -2.665 -11.597 1.00 2.46 C ATOM 1465 CG LEU A 83 -13.508 -2.653 -10.669 1.00 2.76 C ATOM 1466 CD1 LEU A 83 -13.079 -4.091 -10.362 1.00 3.72 C ATOM 1467 CD2 LEU A 83 -12.358 -1.909 -11.352 1.00 2.94 C ATOM 1468 H LEU A 83 -15.169 -0.694 -9.941 1.00 1.69 H ATOM 1469 HA LEU A 83 -14.320 -0.916 -12.752 1.00 2.08 H ATOM 1470 HB2 LEU A 83 -15.572 -3.086 -11.078 1.00 2.65 H ATOM 1471 HB3 LEU A 83 -14.502 -3.261 -12.470 1.00 2.81 H ATOM 1472 HG LEU A 83 -13.767 -2.152 -9.747 1.00 2.49 H ATOM 1473 HD11 LEU A 83 -12.027 -4.108 -10.119 1.00 4.07 H ATOM 1474 HD12 LEU A 83 -13.260 -4.715 -11.225 1.00 4.11 H ATOM 1475 HD13 LEU A 83 -13.647 -4.463 -9.523 1.00 4.06 H ATOM 1476 HD21 LEU A 83 -11.421 -2.205 -10.903 1.00 3.15 H ATOM 1477 HD22 LEU A 83 -12.496 -0.845 -11.229 1.00 3.24 H ATOM 1478 HD23 LEU A 83 -12.346 -2.152 -12.404 1.00 3.22 H ATOM 1479 N PRO A 84 -16.576 -1.010 -13.931 1.00 2.25 N ATOM 1480 CA PRO A 84 -17.897 -0.999 -14.622 1.00 2.69 C ATOM 1481 C PRO A 84 -18.436 -2.422 -14.806 1.00 2.85 C ATOM 1482 O PRO A 84 -17.680 -3.371 -14.877 1.00 2.88 O ATOM 1483 CB PRO A 84 -17.597 -0.359 -15.976 1.00 3.19 C ATOM 1484 CG PRO A 84 -16.166 -0.681 -16.248 1.00 3.24 C ATOM 1485 CD PRO A 84 -15.473 -0.780 -14.887 1.00 2.63 C ATOM 1486 HA PRO A 84 -18.602 -0.392 -14.078 1.00 2.92 H ATOM 1487 HB2 PRO A 84 -18.233 -0.783 -16.740 1.00 3.41 H ATOM 1488 HB3 PRO A 84 -17.730 0.711 -15.924 1.00 3.62 H ATOM 1489 HG2 PRO A 84 -16.094 -1.624 -16.773 1.00 3.51 H ATOM 1490 HG3 PRO A 84 -15.712 0.106 -16.829 1.00 3.72 H ATOM 1491 HD2 PRO A 84 -14.781 -1.611 -14.877 1.00 2.76 H ATOM 1492 HD3 PRO A 84 -14.966 0.143 -14.655 1.00 2.70 H ATOM 1493 N LYS A 85 -19.731 -2.581 -14.874 1.00 3.33 N ATOM 1494 CA LYS A 85 -20.311 -3.946 -15.042 1.00 3.78 C ATOM 1495 C LYS A 85 -21.286 -3.949 -16.220 1.00 4.21 C ATOM 1496 O LYS A 85 -21.411 -2.920 -16.862 1.00 4.52 O ATOM 1497 CB LYS A 85 -21.056 -4.327 -13.759 1.00 4.36 C ATOM 1498 CG LYS A 85 -20.067 -4.375 -12.574 1.00 4.88 C ATOM 1499 CD LYS A 85 -20.692 -3.719 -11.334 1.00 5.57 C ATOM 1500 CE LYS A 85 -22.067 -4.326 -11.032 1.00 6.29 C ATOM 1501 NZ LYS A 85 -22.117 -5.745 -11.487 1.00 6.77 N ATOM 1502 OXT LYS A 85 -21.891 -4.981 -16.460 1.00 4.55 O ATOM 1503 H LYS A 85 -20.322 -1.804 -14.808 1.00 3.60 H ATOM 1504 HA LYS A 85 -19.523 -4.662 -15.226 1.00 3.71 H ATOM 1505 HB2 LYS A 85 -21.826 -3.594 -13.567 1.00 4.58 H ATOM 1506 HB3 LYS A 85 -21.510 -5.298 -13.887 1.00 4.69 H ATOM 1507 HG2 LYS A 85 -19.821 -5.403 -12.350 1.00 5.08 H ATOM 1508 HG3 LYS A 85 -19.162 -3.845 -12.833 1.00 5.04 H ATOM 1509 HD2 LYS A 85 -20.041 -3.870 -10.484 1.00 5.69 H ATOM 1510 HD3 LYS A 85 -20.801 -2.660 -11.513 1.00 5.82 H ATOM 1511 HE2 LYS A 85 -22.247 -4.287 -9.969 1.00 6.55 H ATOM 1512 HE3 LYS A 85 -22.831 -3.757 -11.543 1.00 6.59 H ATOM 1513 HZ1 LYS A 85 -21.877 -6.370 -10.693 1.00 7.01 H ATOM 1514 HZ2 LYS A 85 -21.438 -5.887 -12.259 1.00 6.92 H ATOM 1515 HZ3 LYS A 85 -23.074 -5.968 -11.823 1.00 7.04 H TER 1516 LYS A 85 ATOM 1517 O5' DC B 101 -16.661 -19.310 3.230 1.00 0.45 O ATOM 1518 C5' DC B 101 -16.976 -20.370 2.323 1.00 0.46 C ATOM 1519 C4' DC B 101 -16.230 -20.219 1.002 1.00 0.43 C ATOM 1520 O4' DC B 101 -16.671 -19.018 0.349 1.00 0.42 O ATOM 1521 C3' DC B 101 -14.715 -20.119 1.154 1.00 0.39 C ATOM 1522 O3' DC B 101 -14.072 -20.847 0.109 1.00 0.37 O ATOM 1523 C2' DC B 101 -14.402 -18.647 1.011 1.00 0.36 C ATOM 1524 C1' DC B 101 -15.569 -18.115 0.192 1.00 0.38 C ATOM 1525 N1 DC B 101 -16.031 -16.758 0.597 1.00 0.38 N ATOM 1526 C2 DC B 101 -16.187 -15.804 -0.401 1.00 0.37 C ATOM 1527 O2 DC B 101 -15.941 -16.092 -1.569 1.00 0.37 O ATOM 1528 N3 DC B 101 -16.610 -14.559 -0.048 1.00 0.38 N ATOM 1529 C4 DC B 101 -16.872 -14.253 1.227 1.00 0.39 C ATOM 1530 N4 DC B 101 -17.273 -13.020 1.535 1.00 0.39 N ATOM 1531 C5 DC B 101 -16.716 -15.226 2.261 1.00 0.40 C ATOM 1532 C6 DC B 101 -16.300 -16.458 1.908 1.00 0.39 C ATOM 1533 H5' DC B 101 -18.050 -20.364 2.128 1.00 0.49 H ATOM 1534 H5'' DC B 101 -16.703 -21.322 2.778 1.00 0.47 H ATOM 1535 H4' DC B 101 -16.464 -21.072 0.366 1.00 0.44 H ATOM 1536 H3' DC B 101 -14.401 -20.488 2.131 1.00 0.39 H ATOM 1537 H2' DC B 101 -14.353 -18.172 1.986 1.00 0.36 H ATOM 1538 H2'' DC B 101 -13.468 -18.513 0.474 1.00 0.33 H ATOM 1539 H1' DC B 101 -15.273 -18.105 -0.863 1.00 0.37 H ATOM 1540 H41 DC B 101 -17.384 -12.329 0.807 1.00 0.39 H ATOM 1541 H42 DC B 101 -17.467 -12.776 2.496 1.00 0.40 H ATOM 1542 H5 DC B 101 -16.928 -14.980 3.301 1.00 0.41 H ATOM 1543 H6 DC B 101 -16.197 -17.224 2.673 1.00 0.40 H ATOM 1544 HO5' DC B 101 -16.991 -19.568 4.095 1.00 0.91 H ATOM 1545 P DC B 102 -12.465 -20.921 0.053 1.00 0.34 P ATOM 1546 OP1 DC B 102 -12.082 -22.218 -0.549 1.00 0.35 O ATOM 1547 OP2 DC B 102 -11.938 -20.541 1.383 1.00 0.33 O ATOM 1548 O5' DC B 102 -12.089 -19.750 -0.991 1.00 0.31 O ATOM 1549 C5' DC B 102 -12.602 -19.815 -2.325 1.00 0.31 C ATOM 1550 C4' DC B 102 -12.093 -18.683 -3.219 1.00 0.29 C ATOM 1551 O4' DC B 102 -12.671 -17.450 -2.782 1.00 0.28 O ATOM 1552 C3' DC B 102 -10.571 -18.510 -3.213 1.00 0.26 C ATOM 1553 O3' DC B 102 -10.091 -18.386 -4.550 1.00 0.25 O ATOM 1554 C2' DC B 102 -10.323 -17.194 -2.494 1.00 0.24 C ATOM 1555 C1' DC B 102 -11.648 -16.465 -2.653 1.00 0.25 C ATOM 1556 N1 DC B 102 -12.029 -15.578 -1.516 1.00 0.25 N ATOM 1557 C2 DC B 102 -12.470 -14.302 -1.827 1.00 0.25 C ATOM 1558 O2 DC B 102 -12.488 -13.927 -2.996 1.00 0.25 O ATOM 1559 N3 DC B 102 -12.874 -13.494 -0.816 1.00 0.25 N ATOM 1560 C4 DC B 102 -12.850 -13.900 0.454 1.00 0.25 C ATOM 1561 N4 DC B 102 -13.267 -13.070 1.414 1.00 0.26 N ATOM 1562 C5 DC B 102 -12.393 -15.211 0.791 1.00 0.26 C ATOM 1563 C6 DC B 102 -11.994 -16.015 -0.216 1.00 0.25 C ATOM 1564 H5' DC B 102 -13.693 -19.756 -2.278 1.00 0.34 H ATOM 1565 H5'' DC B 102 -12.316 -20.770 -2.767 1.00 0.32 H ATOM 1566 H4' DC B 102 -12.416 -18.874 -4.243 1.00 0.30 H ATOM 1567 H3' DC B 102 -10.085 -19.336 -2.695 1.00 0.26 H ATOM 1568 H2' DC B 102 -10.080 -17.363 -1.450 1.00 0.24 H ATOM 1569 H2'' DC B 102 -9.528 -16.641 -2.992 1.00 0.22 H ATOM 1570 H1' DC B 102 -11.606 -15.883 -3.580 1.00 0.25 H ATOM 1571 H41 DC B 102 -13.595 -12.143 1.174 1.00 0.26 H ATOM 1572 H42 DC B 102 -13.260 -13.369 2.379 1.00 0.26 H ATOM 1573 H5 DC B 102 -12.368 -15.549 1.827 1.00 0.27 H ATOM 1574 H6 DC B 102 -11.653 -17.021 0.009 1.00 0.26 H ATOM 1575 P DT B 103 -8.510 -18.251 -4.818 1.00 0.23 P ATOM 1576 OP1 DT B 103 -8.205 -18.895 -6.115 1.00 0.25 O ATOM 1577 OP2 DT B 103 -7.796 -18.680 -3.595 1.00 0.23 O ATOM 1578 O5' DT B 103 -8.312 -16.660 -4.986 1.00 0.21 O ATOM 1579 C5' DT B 103 -9.005 -15.989 -6.039 1.00 0.22 C ATOM 1580 C4' DT B 103 -8.662 -14.505 -6.136 1.00 0.20 C ATOM 1581 O4' DT B 103 -9.253 -13.810 -5.033 1.00 0.20 O ATOM 1582 C3' DT B 103 -7.158 -14.197 -6.125 1.00 0.19 C ATOM 1583 O3' DT B 103 -6.846 -13.268 -7.163 1.00 0.19 O ATOM 1584 C2' DT B 103 -6.909 -13.527 -4.782 1.00 0.17 C ATOM 1585 C1' DT B 103 -8.279 -12.950 -4.448 1.00 0.18 C ATOM 1586 N1 DT B 103 -8.589 -12.854 -2.997 1.00 0.17 N ATOM 1587 C2 DT B 103 -9.128 -11.665 -2.533 1.00 0.17 C ATOM 1588 O2 DT B 103 -9.359 -10.719 -3.282 1.00 0.18 O ATOM 1589 N3 DT B 103 -9.410 -11.618 -1.179 1.00 0.17 N ATOM 1590 C4 DT B 103 -9.209 -12.644 -0.267 1.00 0.17 C ATOM 1591 O4 DT B 103 -9.522 -12.509 0.914 1.00 0.17 O ATOM 1592 C5 DT B 103 -8.645 -13.838 -0.834 1.00 0.17 C ATOM 1593 C7 DT B 103 -8.338 -15.016 0.098 1.00 0.18 C ATOM 1594 C6 DT B 103 -8.361 -13.916 -2.151 1.00 0.17 C ATOM 1595 H5' DT B 103 -10.080 -16.084 -5.855 1.00 0.23 H ATOM 1596 H5'' DT B 103 -8.763 -16.472 -6.986 1.00 0.23 H ATOM 1597 H4' DT B 103 -9.086 -14.112 -7.060 1.00 0.21 H ATOM 1598 H3' DT B 103 -6.570 -15.109 -6.224 1.00 0.20 H ATOM 1599 H2' DT B 103 -6.585 -14.254 -4.046 1.00 0.17 H ATOM 1600 H2'' DT B 103 -6.173 -12.729 -4.884 1.00 0.17 H ATOM 1601 H1' DT B 103 -8.353 -11.967 -4.927 1.00 0.18 H ATOM 1602 H3 DT B 103 -9.751 -10.739 -0.796 1.00 0.17 H ATOM 1603 H71 DT B 103 -7.985 -15.870 -0.475 1.00 1.03 H ATOM 1604 H72 DT B 103 -9.238 -15.291 0.644 1.00 1.04 H ATOM 1605 H73 DT B 103 -7.565 -14.719 0.809 1.00 1.06 H ATOM 1606 H6 DT B 103 -7.986 -14.850 -2.560 1.00 0.17 H ATOM 1607 P DG B 104 -5.324 -12.796 -7.386 1.00 0.20 P ATOM 1608 OP1 DG B 104 -5.104 -12.612 -8.839 1.00 0.22 O ATOM 1609 OP2 DG B 104 -4.440 -13.697 -6.614 1.00 0.20 O ATOM 1610 O5' DG B 104 -5.302 -11.345 -6.685 1.00 0.18 O ATOM 1611 C5' DG B 104 -6.190 -10.339 -7.177 1.00 0.18 C ATOM 1612 C4' DG B 104 -6.015 -8.983 -6.497 1.00 0.18 C ATOM 1613 O4' DG B 104 -6.501 -9.065 -5.153 1.00 0.17 O ATOM 1614 C3' DG B 104 -4.569 -8.481 -6.438 1.00 0.19 C ATOM 1615 O3' DG B 104 -4.510 -7.138 -6.921 1.00 0.20 O ATOM 1616 C2' DG B 104 -4.207 -8.496 -4.956 1.00 0.18 C ATOM 1617 C1' DG B 104 -5.562 -8.463 -4.263 1.00 0.16 C ATOM 1618 N9 DG B 104 -5.621 -9.213 -2.992 1.00 0.15 N ATOM 1619 C8 DG B 104 -5.095 -10.438 -2.687 1.00 0.15 C ATOM 1620 N7 DG B 104 -5.370 -10.875 -1.497 1.00 0.14 N ATOM 1621 C5 DG B 104 -6.147 -9.859 -0.954 1.00 0.14 C ATOM 1622 C6 DG B 104 -6.755 -9.774 0.323 1.00 0.14 C ATOM 1623 O6 DG B 104 -6.700 -10.586 1.243 1.00 0.14 O ATOM 1624 N1 DG B 104 -7.478 -8.596 0.475 1.00 0.16 N ATOM 1625 C2 DG B 104 -7.574 -7.603 -0.482 1.00 0.17 C ATOM 1626 N2 DG B 104 -8.287 -6.524 -0.149 1.00 0.19 N ATOM 1627 N3 DG B 104 -6.995 -7.678 -1.688 1.00 0.16 N ATOM 1628 C4 DG B 104 -6.305 -8.833 -1.856 1.00 0.15 C ATOM 1629 H5' DG B 104 -7.216 -10.680 -7.011 1.00 0.18 H ATOM 1630 H5'' DG B 104 -6.028 -10.220 -8.248 1.00 0.20 H ATOM 1631 H4' DG B 104 -6.612 -8.248 -7.036 1.00 0.19 H ATOM 1632 H3' DG B 104 -3.906 -9.132 -7.009 1.00 0.19 H ATOM 1633 H2' DG B 104 -3.662 -9.403 -4.704 1.00 0.17 H ATOM 1634 H2'' DG B 104 -3.624 -7.613 -4.699 1.00 0.19 H ATOM 1635 H1' DG B 104 -5.848 -7.426 -4.084 1.00 0.17 H ATOM 1636 H8 DG B 104 -4.508 -11.020 -3.398 1.00 0.15 H ATOM 1637 H1 DG B 104 -8.101 -8.577 1.271 1.00 0.16 H ATOM 1638 H21 DG B 104 -8.724 -6.467 0.764 1.00 0.19 H ATOM 1639 H22 DG B 104 -8.392 -5.765 -0.807 1.00 0.20 H ATOM 1640 P DC B 105 -3.101 -6.359 -6.998 1.00 0.22 P ATOM 1641 OP1 DC B 105 -3.076 -5.566 -8.247 1.00 0.25 O ATOM 1642 OP2 DC B 105 -2.018 -7.326 -6.711 1.00 0.22 O ATOM 1643 O5' DC B 105 -3.218 -5.343 -5.755 1.00 0.22 O ATOM 1644 C5' DC B 105 -4.281 -4.391 -5.762 1.00 0.23 C ATOM 1645 C4' DC B 105 -4.341 -3.537 -4.501 1.00 0.23 C ATOM 1646 O4' DC B 105 -4.670 -4.387 -3.387 1.00 0.20 O ATOM 1647 C3' DC B 105 -3.042 -2.805 -4.151 1.00 0.24 C ATOM 1648 O3' DC B 105 -3.335 -1.444 -3.844 1.00 0.26 O ATOM 1649 C2' DC B 105 -2.514 -3.484 -2.895 1.00 0.22 C ATOM 1650 C1' DC B 105 -3.738 -4.180 -2.321 1.00 0.20 C ATOM 1651 N1 DC B 105 -3.456 -5.498 -1.682 1.00 0.18 N ATOM 1652 C2 DC B 105 -3.940 -5.710 -0.395 1.00 0.17 C ATOM 1653 O2 DC B 105 -4.574 -4.827 0.179 1.00 0.17 O ATOM 1654 N3 DC B 105 -3.690 -6.907 0.203 1.00 0.15 N ATOM 1655 C4 DC B 105 -2.998 -7.863 -0.426 1.00 0.15 C ATOM 1656 N4 DC B 105 -2.763 -9.018 0.201 1.00 0.15 N ATOM 1657 C5 DC B 105 -2.499 -7.660 -1.751 1.00 0.17 C ATOM 1658 C6 DC B 105 -2.748 -6.467 -2.340 1.00 0.18 C ATOM 1659 H5' DC B 105 -5.225 -4.925 -5.865 1.00 0.22 H ATOM 1660 H5'' DC B 105 -4.155 -3.734 -6.622 1.00 0.25 H ATOM 1661 H4' DC B 105 -5.137 -2.794 -4.623 1.00 0.24 H ATOM 1662 H3' DC B 105 -2.301 -2.852 -4.948 1.00 0.25 H ATOM 1663 H2' DC B 105 -1.735 -4.200 -3.146 1.00 0.22 H ATOM 1664 H2'' DC B 105 -2.135 -2.741 -2.193 1.00 0.23 H ATOM 1665 H1' DC B 105 -4.198 -3.515 -1.588 1.00 0.20 H ATOM 1666 H41 DC B 105 -3.114 -9.164 1.137 1.00 0.14 H ATOM 1667 H42 DC B 105 -2.234 -9.743 -0.260 1.00 0.15 H ATOM 1668 H5 DC B 105 -1.951 -8.448 -2.273 1.00 0.17 H ATOM 1669 H6 DC B 105 -2.384 -6.281 -3.350 1.00 0.19 H ATOM 1670 P DA B 106 -2.130 -0.428 -3.521 1.00 0.27 P ATOM 1671 OP1 DA B 106 -2.502 0.919 -4.001 1.00 0.31 O ATOM 1672 OP2 DA B 106 -0.865 -1.050 -3.968 1.00 0.30 O ATOM 1673 O5' DA B 106 -2.140 -0.403 -1.918 1.00 0.22 O ATOM 1674 C5' DA B 106 -3.330 0.023 -1.256 1.00 0.21 C ATOM 1675 C4' DA B 106 -3.168 0.076 0.254 1.00 0.18 C ATOM 1676 O4' DA B 106 -2.975 -1.255 0.752 1.00 0.17 O ATOM 1677 C3' DA B 106 -1.977 0.918 0.707 1.00 0.17 C ATOM 1678 O3' DA B 106 -2.354 1.728 1.819 1.00 0.18 O ATOM 1679 C2' DA B 106 -0.933 -0.102 1.146 1.00 0.17 C ATOM 1680 C1' DA B 106 -1.777 -1.307 1.531 1.00 0.16 C ATOM 1681 N9 DA B 106 -1.137 -2.618 1.289 1.00 0.16 N ATOM 1682 C8 DA B 106 -0.411 -3.052 0.212 1.00 0.16 C ATOM 1683 N7 DA B 106 -0.016 -4.292 0.281 1.00 0.16 N ATOM 1684 C5 DA B 106 -0.512 -4.710 1.517 1.00 0.16 C ATOM 1685 C6 DA B 106 -0.441 -5.926 2.213 1.00 0.16 C ATOM 1686 N6 DA B 106 0.171 -7.014 1.737 1.00 0.16 N ATOM 1687 N1 DA B 106 -1.036 -5.982 3.414 1.00 0.17 N ATOM 1688 C2 DA B 106 -1.669 -4.921 3.907 1.00 0.17 C ATOM 1689 N3 DA B 106 -1.799 -3.732 3.334 1.00 0.17 N ATOM 1690 C4 DA B 106 -1.191 -3.697 2.133 1.00 0.16 C ATOM 1691 H5' DA B 106 -4.136 -0.668 -1.501 1.00 0.21 H ATOM 1692 H5'' DA B 106 -3.594 1.016 -1.619 1.00 0.23 H ATOM 1693 H4' DA B 106 -4.079 0.487 0.689 1.00 0.18 H ATOM 1694 H3' DA B 106 -1.598 1.533 -0.110 1.00 0.19 H ATOM 1695 H2' DA B 106 -0.263 -0.341 0.324 1.00 0.18 H ATOM 1696 H2'' DA B 106 -0.373 0.264 2.004 1.00 0.17 H ATOM 1697 H1' DA B 106 -2.040 -1.232 2.587 1.00 0.17 H ATOM 1698 H8 DA B 106 -0.079 -2.376 -0.572 1.00 0.17 H ATOM 1699 H61 DA B 106 0.189 -7.865 2.288 1.00 0.17 H ATOM 1700 H62 DA B 106 0.615 -6.988 0.830 1.00 0.17 H ATOM 1701 H2 DA B 106 -2.124 -5.040 4.889 1.00 0.19 H ATOM 1702 P DC B 107 -1.331 2.841 2.359 1.00 0.20 P ATOM 1703 OP1 DC B 107 -2.114 3.905 3.025 1.00 0.22 O ATOM 1704 OP2 DC B 107 -0.400 3.185 1.262 1.00 0.20 O ATOM 1705 O5' DC B 107 -0.509 2.041 3.485 1.00 0.20 O ATOM 1706 C5' DC B 107 -1.188 1.558 4.646 1.00 0.21 C ATOM 1707 C4' DC B 107 -0.242 0.832 5.595 1.00 0.22 C ATOM 1708 O4' DC B 107 0.073 -0.470 5.067 1.00 0.20 O ATOM 1709 C3' DC B 107 1.077 1.579 5.817 1.00 0.22 C ATOM 1710 O3' DC B 107 1.368 1.682 7.212 1.00 0.24 O ATOM 1711 C2' DC B 107 2.118 0.688 5.134 1.00 0.20 C ATOM 1712 C1' DC B 107 1.466 -0.694 5.253 1.00 0.19 C ATOM 1713 N1 DC B 107 1.919 -1.748 4.283 1.00 0.17 N ATOM 1714 C2 DC B 107 2.136 -3.037 4.788 1.00 0.17 C ATOM 1715 O2 DC B 107 1.918 -3.285 5.975 1.00 0.17 O ATOM 1716 N3 DC B 107 2.580 -4.008 3.942 1.00 0.16 N ATOM 1717 C4 DC B 107 2.815 -3.752 2.655 1.00 0.15 C ATOM 1718 N4 DC B 107 3.239 -4.740 1.862 1.00 0.15 N ATOM 1719 C5 DC B 107 2.605 -2.445 2.112 1.00 0.16 C ATOM 1720 C6 DC B 107 2.145 -1.468 2.955 1.00 0.17 C ATOM 1721 H5' DC B 107 -1.976 0.871 4.337 1.00 0.21 H ATOM 1722 H5'' DC B 107 -1.638 2.402 5.170 1.00 0.24 H ATOM 1723 H4' DC B 107 -0.738 0.712 6.556 1.00 0.24 H ATOM 1724 H3' DC B 107 1.035 2.579 5.382 1.00 0.23 H ATOM 1725 H2' DC B 107 2.251 0.984 4.099 1.00 0.20 H ATOM 1726 H2'' DC B 107 3.062 0.722 5.670 1.00 0.21 H ATOM 1727 H1' DC B 107 1.623 -1.059 6.270 1.00 0.20 H ATOM 1728 H41 DC B 107 3.388 -5.665 2.242 1.00 0.15 H ATOM 1729 H42 DC B 107 3.410 -4.563 0.882 1.00 0.15 H ATOM 1730 H5 DC B 107 2.865 -2.236 1.067 1.00 0.16 H ATOM 1731 H6 DC B 107 1.889 -0.477 2.562 1.00 0.18 H ATOM 1732 P DA B 108 2.616 2.595 7.667 1.00 0.26 P ATOM 1733 OP1 DA B 108 2.136 3.566 8.675 1.00 0.30 O ATOM 1734 OP2 DA B 108 3.303 3.078 6.448 1.00 0.26 O ATOM 1735 O5' DA B 108 3.579 1.545 8.401 1.00 0.23 O ATOM 1736 C5' DA B 108 3.234 1.068 9.703 1.00 0.23 C ATOM 1737 C4' DA B 108 4.106 -0.097 10.129 1.00 0.21 C ATOM 1738 O4' DA B 108 3.856 -1.219 9.307 1.00 0.20 O ATOM 1739 C3' DA B 108 5.594 0.170 10.063 1.00 0.20 C ATOM 1740 O3' DA B 108 6.009 0.778 11.288 1.00 0.21 O ATOM 1741 C2' DA B 108 6.182 -1.225 9.890 1.00 0.19 C ATOM 1742 C1' DA B 108 5.052 -1.994 9.192 1.00 0.19 C ATOM 1743 N9 DA B 108 5.260 -2.186 7.752 1.00 0.18 N ATOM 1744 C8 DA B 108 4.991 -1.324 6.731 1.00 0.18 C ATOM 1745 N7 DA B 108 5.282 -1.766 5.545 1.00 0.18 N ATOM 1746 C5 DA B 108 5.795 -3.036 5.807 1.00 0.17 C ATOM 1747 C6 DA B 108 6.287 -4.048 4.981 1.00 0.16 C ATOM 1748 N6 DA B 108 6.349 -3.942 3.652 1.00 0.16 N ATOM 1749 N1 DA B 108 6.705 -5.177 5.576 1.00 0.16 N ATOM 1750 C2 DA B 108 6.649 -5.303 6.901 1.00 0.16 C ATOM 1751 N3 DA B 108 6.202 -4.410 7.770 1.00 0.17 N ATOM 1752 C4 DA B 108 5.786 -3.293 7.148 1.00 0.17 C ATOM 1753 H5' DA B 108 2.193 0.750 9.700 1.00 0.25 H ATOM 1754 H5'' DA B 108 3.352 1.881 10.421 1.00 0.25 H ATOM 1755 H4' DA B 108 3.849 -0.359 11.156 1.00 0.23 H ATOM 1756 H3' DA B 108 5.844 0.798 9.205 1.00 0.20 H ATOM 1757 H2' DA B 108 7.071 -1.194 9.260 1.00 0.19 H ATOM 1758 H2'' DA B 108 6.408 -1.669 10.852 1.00 0.19 H ATOM 1759 H1' DA B 108 4.912 -2.960 9.682 1.00 0.19 H ATOM 1760 H8 DA B 108 4.593 -0.326 6.907 1.00 0.19 H ATOM 1761 H61 DA B 108 6.715 -4.709 3.100 1.00 0.15 H ATOM 1762 H62 DA B 108 6.030 -3.099 3.197 1.00 0.16 H ATOM 1763 H2 DA B 108 7.008 -6.242 7.317 1.00 0.16 H ATOM 1764 P DA B 109 7.298 1.736 11.333 1.00 0.21 P ATOM 1765 OP1 DA B 109 7.290 2.460 12.623 1.00 0.23 O ATOM 1766 OP2 DA B 109 7.353 2.494 10.063 1.00 0.22 O ATOM 1767 O5' DA B 109 8.520 0.694 11.348 1.00 0.19 O ATOM 1768 C5' DA B 109 8.648 -0.236 12.427 1.00 0.18 C ATOM 1769 C4' DA B 109 9.925 -1.057 12.309 1.00 0.16 C ATOM 1770 O4' DA B 109 9.840 -1.885 11.143 1.00 0.15 O ATOM 1771 C3' DA B 109 11.172 -0.182 12.184 1.00 0.15 C ATOM 1772 O3' DA B 109 12.210 -0.662 13.041 1.00 0.14 O ATOM 1773 C2' DA B 109 11.603 -0.312 10.726 1.00 0.14 C ATOM 1774 C1' DA B 109 10.893 -1.567 10.229 1.00 0.14 C ATOM 1775 N9 DA B 109 10.294 -1.422 8.882 1.00 0.14 N ATOM 1776 C8 DA B 109 9.572 -0.383 8.359 1.00 0.15 C ATOM 1777 N7 DA B 109 9.196 -0.540 7.121 1.00 0.15 N ATOM 1778 C5 DA B 109 9.709 -1.796 6.793 1.00 0.14 C ATOM 1779 C6 DA B 109 9.667 -2.568 5.620 1.00 0.14 C ATOM 1780 N6 DA B 109 9.071 -2.164 4.494 1.00 0.14 N ATOM 1781 N1 DA B 109 10.277 -3.767 5.647 1.00 0.13 N ATOM 1782 C2 DA B 109 10.895 -4.182 6.752 1.00 0.13 C ATOM 1783 N3 DA B 109 10.995 -3.533 7.908 1.00 0.13 N ATOM 1784 C4 DA B 109 10.375 -2.338 7.858 1.00 0.13 C ATOM 1785 H5' DA B 109 7.793 -0.906 12.429 1.00 0.18 H ATOM 1786 H5'' DA B 109 8.668 0.315 13.367 1.00 0.19 H ATOM 1787 H4' DA B 109 10.019 -1.697 13.189 1.00 0.15 H ATOM 1788 H3' DA B 109 10.940 0.857 12.418 1.00 0.17 H ATOM 1789 H2' DA B 109 11.282 0.559 10.154 1.00 0.16 H ATOM 1790 H2'' DA B 109 12.683 -0.435 10.659 1.00 0.14 H ATOM 1791 H1' DA B 109 11.604 -2.393 10.210 1.00 0.13 H ATOM 1792 H8 DA B 109 9.316 0.504 8.941 1.00 0.16 H ATOM 1793 H61 DA B 109 9.072 -2.762 3.677 1.00 0.14 H ATOM 1794 H62 DA B 109 8.620 -1.261 4.457 1.00 0.15 H ATOM 1795 H2 DA B 109 11.369 -5.162 6.703 1.00 0.13 H ATOM 1796 P DA B 110 13.502 0.266 13.285 1.00 0.15 P ATOM 1797 OP1 DA B 110 13.949 0.069 14.683 1.00 0.16 O ATOM 1798 OP2 DA B 110 13.183 1.630 12.805 1.00 0.16 O ATOM 1799 O5' DA B 110 14.620 -0.356 12.312 1.00 0.12 O ATOM 1800 C5' DA B 110 15.118 -1.670 12.569 1.00 0.11 C ATOM 1801 C4' DA B 110 16.225 -2.069 11.598 1.00 0.10 C ATOM 1802 O4' DA B 110 15.633 -2.309 10.318 1.00 0.10 O ATOM 1803 C3' DA B 110 17.309 -1.003 11.442 1.00 0.10 C ATOM 1804 O3' DA B 110 18.593 -1.586 11.653 1.00 0.10 O ATOM 1805 C2' DA B 110 17.214 -0.536 9.984 1.00 0.10 C ATOM 1806 C1' DA B 110 16.298 -1.553 9.309 1.00 0.10 C ATOM 1807 N9 DA B 110 15.262 -0.962 8.429 1.00 0.11 N ATOM 1808 C8 DA B 110 14.393 0.071 8.654 1.00 0.12 C ATOM 1809 N7 DA B 110 13.588 0.338 7.661 1.00 0.13 N ATOM 1810 C5 DA B 110 13.958 -0.603 6.693 1.00 0.12 C ATOM 1811 C6 DA B 110 13.500 -0.873 5.390 1.00 0.13 C ATOM 1812 N6 DA B 110 12.527 -0.177 4.791 1.00 0.14 N ATOM 1813 N1 DA B 110 14.097 -1.879 4.720 1.00 0.13 N ATOM 1814 C2 DA B 110 15.085 -2.574 5.289 1.00 0.12 C ATOM 1815 N3 DA B 110 15.586 -2.398 6.506 1.00 0.12 N ATOM 1816 C4 DA B 110 14.973 -1.391 7.156 1.00 0.11 C ATOM 1817 H5' DA B 110 14.298 -2.382 12.481 1.00 0.12 H ATOM 1818 H5'' DA B 110 15.511 -1.706 13.586 1.00 0.12 H ATOM 1819 H4' DA B 110 16.695 -2.991 11.956 1.00 0.10 H ATOM 1820 H3' DA B 110 17.144 -0.170 12.126 1.00 0.11 H ATOM 1821 H2' DA B 110 16.778 0.462 9.932 1.00 0.11 H ATOM 1822 H2'' DA B 110 18.200 -0.545 9.517 1.00 0.11 H ATOM 1823 H1' DA B 110 16.870 -2.242 8.689 1.00 0.10 H ATOM 1824 H8 DA B 110 14.383 0.630 9.589 1.00 0.12 H ATOM 1825 H61 DA B 110 12.238 -0.417 3.850 1.00 0.15 H ATOM 1826 H62 DA B 110 12.080 0.586 5.278 1.00 0.15 H ATOM 1827 H2 DA B 110 15.540 -3.366 4.686 1.00 0.13 H ATOM 1828 P DC B 111 19.870 -0.624 11.820 1.00 0.11 P ATOM 1829 OP1 DC B 111 20.842 -1.297 12.711 1.00 0.13 O ATOM 1830 OP2 DC B 111 19.385 0.735 12.152 1.00 0.12 O ATOM 1831 O5' DC B 111 20.489 -0.588 10.341 1.00 0.11 O ATOM 1832 C5' DC B 111 20.978 -1.798 9.771 1.00 0.11 C ATOM 1833 C4' DC B 111 21.576 -1.586 8.389 1.00 0.11 C ATOM 1834 O4' DC B 111 20.525 -1.304 7.460 1.00 0.10 O ATOM 1835 C3' DC B 111 22.583 -0.438 8.322 1.00 0.13 C ATOM 1836 O3' DC B 111 23.776 -0.915 7.692 1.00 0.15 O ATOM 1837 C2' DC B 111 21.906 0.625 7.452 1.00 0.13 C ATOM 1838 C1' DC B 111 20.870 -0.174 6.665 1.00 0.11 C ATOM 1839 N1 DC B 111 19.595 0.541 6.337 1.00 0.11 N ATOM 1840 C2 DC B 111 19.142 0.479 5.020 1.00 0.11 C ATOM 1841 O2 DC B 111 19.822 -0.076 4.165 1.00 0.12 O ATOM 1842 N3 DC B 111 17.946 1.053 4.710 1.00 0.11 N ATOM 1843 C4 DC B 111 17.214 1.670 5.637 1.00 0.12 C ATOM 1844 N4 DC B 111 16.044 2.215 5.283 1.00 0.13 N ATOM 1845 C5 DC B 111 17.664 1.748 6.996 1.00 0.12 C ATOM 1846 C6 DC B 111 18.854 1.173 7.303 1.00 0.11 C ATOM 1847 H5' DC B 111 20.155 -2.509 9.694 1.00 0.10 H ATOM 1848 H5'' DC B 111 21.743 -2.214 10.426 1.00 0.12 H ATOM 1849 H4' DC B 111 22.075 -2.505 8.082 1.00 0.12 H ATOM 1850 H3' DC B 111 22.798 -0.047 9.316 1.00 0.13 H ATOM 1851 H2' DC B 111 21.428 1.381 8.071 1.00 0.13 H ATOM 1852 H2'' DC B 111 22.628 1.080 6.780 1.00 0.14 H ATOM 1853 H1' DC B 111 21.335 -0.528 5.740 1.00 0.12 H ATOM 1854 H41 DC B 111 15.728 2.158 4.321 1.00 0.14 H ATOM 1855 H42 DC B 111 15.474 2.682 5.974 1.00 0.15 H ATOM 1856 H5 DC B 111 17.068 2.252 7.759 1.00 0.13 H ATOM 1857 H6 DC B 111 19.217 1.202 8.330 1.00 0.11 H ATOM 1858 P DA B 112 25.084 0.016 7.576 1.00 0.17 P ATOM 1859 OP1 DA B 112 26.234 -0.724 8.142 1.00 0.19 O ATOM 1860 OP2 DA B 112 24.744 1.362 8.089 1.00 0.18 O ATOM 1861 O5' DA B 112 25.279 0.115 5.986 1.00 0.18 O ATOM 1862 C5' DA B 112 25.514 -1.086 5.246 1.00 0.18 C ATOM 1863 C4' DA B 112 25.569 -0.837 3.747 1.00 0.19 C ATOM 1864 O4' DA B 112 24.286 -0.380 3.311 1.00 0.18 O ATOM 1865 C3' DA B 112 26.593 0.207 3.325 1.00 0.22 C ATOM 1866 O3' DA B 112 27.222 -0.197 2.107 1.00 0.24 O ATOM 1867 C2' DA B 112 25.787 1.471 3.094 1.00 0.22 C ATOM 1868 C1' DA B 112 24.385 0.952 2.803 1.00 0.19 C ATOM 1869 N9 DA B 112 23.309 1.748 3.421 1.00 0.18 N ATOM 1870 C8 DA B 112 23.253 2.340 4.652 1.00 0.19 C ATOM 1871 N7 DA B 112 22.159 3.001 4.897 1.00 0.18 N ATOM 1872 C5 DA B 112 21.426 2.832 3.722 1.00 0.17 C ATOM 1873 C6 DA B 112 20.163 3.279 3.310 1.00 0.17 C ATOM 1874 N6 DA B 112 19.359 4.031 4.066 1.00 0.18 N ATOM 1875 N1 DA B 112 19.760 2.920 2.085 1.00 0.17 N ATOM 1876 C2 DA B 112 20.530 2.171 1.305 1.00 0.17 C ATOM 1877 N3 DA B 112 21.733 1.698 1.592 1.00 0.17 N ATOM 1878 C4 DA B 112 22.121 2.070 2.825 1.00 0.17 C ATOM 1879 H5' DA B 112 24.711 -1.793 5.457 1.00 0.17 H ATOM 1880 H5'' DA B 112 26.460 -1.521 5.566 1.00 0.20 H ATOM 1881 H4' DA B 112 25.797 -1.777 3.245 1.00 0.20 H ATOM 1882 H3' DA B 112 27.336 0.359 4.109 1.00 0.23 H ATOM 1883 H2' DA B 112 25.795 2.097 3.983 1.00 0.23 H ATOM 1884 H2'' DA B 112 26.176 2.016 2.242 1.00 0.25 H ATOM 1885 H1' DA B 112 24.234 0.931 1.724 1.00 0.20 H ATOM 1886 H8 DA B 112 24.065 2.264 5.373 1.00 0.20 H ATOM 1887 H61 DA B 112 18.455 4.323 3.709 1.00 0.18 H ATOM 1888 H62 DA B 112 19.650 4.311 4.991 1.00 0.18 H ATOM 1889 H2 DA B 112 20.124 1.912 0.328 1.00 0.17 H ATOM 1890 P DC B 113 28.417 0.685 1.491 1.00 0.27 P ATOM 1891 OP1 DC B 113 29.277 -0.204 0.678 1.00 0.29 O ATOM 1892 OP2 DC B 113 29.010 1.489 2.584 1.00 0.31 O ATOM 1893 O5' DC B 113 27.639 1.685 0.494 1.00 0.26 O ATOM 1894 C5' DC B 113 26.912 1.146 -0.616 1.00 0.24 C ATOM 1895 C4' DC B 113 26.223 2.224 -1.453 1.00 0.25 C ATOM 1896 O4' DC B 113 25.116 2.767 -0.718 1.00 0.24 O ATOM 1897 C3' DC B 113 27.145 3.388 -1.838 1.00 0.29 C ATOM 1898 O3' DC B 113 27.049 3.652 -3.241 1.00 0.32 O ATOM 1899 C2' DC B 113 26.592 4.586 -1.070 1.00 0.31 C ATOM 1900 C1' DC B 113 25.142 4.189 -0.819 1.00 0.27 C ATOM 1901 N1 DC B 113 24.517 4.746 0.421 1.00 0.26 N ATOM 1902 C2 DC B 113 23.257 5.330 0.302 1.00 0.26 C ATOM 1903 O2 DC B 113 22.727 5.438 -0.802 1.00 0.27 O ATOM 1904 N3 DC B 113 22.643 5.783 1.426 1.00 0.26 N ATOM 1905 C4 DC B 113 23.221 5.680 2.624 1.00 0.26 C ATOM 1906 N4 DC B 113 22.570 6.127 3.702 1.00 0.26 N ATOM 1907 C5 DC B 113 24.517 5.088 2.763 1.00 0.26 C ATOM 1908 C6 DC B 113 25.127 4.638 1.644 1.00 0.27 C ATOM 1909 H5' DC B 113 26.156 0.457 -0.239 1.00 0.22 H ATOM 1910 H5'' DC B 113 27.604 0.595 -1.254 1.00 0.24 H ATOM 1911 H4' DC B 113 25.842 1.762 -2.364 1.00 0.25 H ATOM 1912 H3' DC B 113 28.176 3.184 -1.550 1.00 0.30 H ATOM 1913 H2' DC B 113 27.133 4.729 -0.139 1.00 0.31 H ATOM 1914 H2'' DC B 113 26.640 5.481 -1.685 1.00 0.34 H ATOM 1915 H1' DC B 113 24.549 4.488 -1.688 1.00 0.29 H ATOM 1916 H41 DC B 113 21.651 6.542 3.603 1.00 0.26 H ATOM 1917 H42 DC B 113 22.993 6.048 4.616 1.00 0.27 H ATOM 1918 H5 DC B 113 24.995 5.004 3.739 1.00 0.27 H ATOM 1919 H6 DC B 113 26.108 4.181 1.720 1.00 0.27 H ATOM 1920 P DC B 114 28.076 4.691 -3.921 1.00 0.37 P ATOM 1921 OP1 DC B 114 28.336 4.239 -5.307 1.00 0.41 O ATOM 1922 OP2 DC B 114 29.209 4.893 -2.991 1.00 0.38 O ATOM 1923 O5' DC B 114 27.235 6.064 -3.993 1.00 0.39 O ATOM 1924 C5' DC B 114 26.085 6.137 -4.839 1.00 0.40 C ATOM 1925 C4' DC B 114 25.444 7.524 -4.842 1.00 0.43 C ATOM 1926 O4' DC B 114 24.761 7.729 -3.609 1.00 0.39 O ATOM 1927 C3' DC B 114 26.437 8.679 -5.041 1.00 0.47 C ATOM 1928 O3' DC B 114 26.038 9.529 -6.118 1.00 0.52 O ATOM 1929 C2' DC B 114 26.401 9.449 -3.722 1.00 0.47 C ATOM 1930 C1' DC B 114 25.079 9.015 -3.097 1.00 0.43 C ATOM 1931 N1 DC B 114 25.077 8.891 -1.620 1.00 0.40 N ATOM 1932 C2 DC B 114 24.031 9.482 -0.932 1.00 0.40 C ATOM 1933 O2 DC B 114 23.194 10.137 -1.546 1.00 0.42 O ATOM 1934 N3 DC B 114 23.956 9.307 0.412 1.00 0.38 N ATOM 1935 C4 DC B 114 24.871 8.581 1.065 1.00 0.37 C ATOM 1936 N4 DC B 114 24.760 8.427 2.387 1.00 0.37 N ATOM 1937 C5 DC B 114 25.959 7.968 0.362 1.00 0.37 C ATOM 1938 C6 DC B 114 26.022 8.151 -0.972 1.00 0.38 C ATOM 1939 H5' DC B 114 25.348 5.411 -4.492 1.00 0.37 H ATOM 1940 H5'' DC B 114 26.380 5.883 -5.857 1.00 0.43 H ATOM 1941 H4' DC B 114 24.713 7.560 -5.650 1.00 0.45 H ATOM 1942 H3' DC B 114 27.439 8.288 -5.209 1.00 0.47 H ATOM 1943 HO3' DC B 114 25.131 9.303 -6.339 1.00 1.07 H ATOM 1944 H2' DC B 114 27.249 9.181 -3.099 1.00 0.46 H ATOM 1945 H2'' DC B 114 26.394 10.522 -3.912 1.00 0.52 H ATOM 1946 H1' DC B 114 24.301 9.718 -3.406 1.00 0.46 H ATOM 1947 H41 DC B 114 23.991 8.860 2.882 1.00 0.37 H ATOM 1948 H42 DC B 114 25.442 7.879 2.891 1.00 0.37 H ATOM 1949 H5 DC B 114 26.700 7.356 0.883 1.00 0.37 H ATOM 1950 H6 DC B 114 26.832 7.705 -1.539 1.00 0.39 H TER 1951 DC B 114 ATOM 1952 O5' DG C 115 16.915 13.062 6.512 1.00 0.39 O ATOM 1953 C5' DG C 115 16.482 14.290 5.922 1.00 0.42 C ATOM 1954 C4' DG C 115 16.165 14.119 4.440 1.00 0.41 C ATOM 1955 O4' DG C 115 17.367 13.769 3.744 1.00 0.41 O ATOM 1956 C3' DG C 115 15.134 13.032 4.149 1.00 0.38 C ATOM 1957 O3' DG C 115 14.257 13.459 3.102 1.00 0.39 O ATOM 1958 C2' DG C 115 15.947 11.835 3.684 1.00 0.35 C ATOM 1959 C1' DG C 115 17.260 12.442 3.213 1.00 0.38 C ATOM 1960 N9 DG C 115 18.449 11.684 3.650 1.00 0.37 N ATOM 1961 C8 DG C 115 18.746 11.179 4.884 1.00 0.36 C ATOM 1962 N7 DG C 115 19.876 10.538 4.959 1.00 0.36 N ATOM 1963 C5 DG C 115 20.378 10.625 3.663 1.00 0.36 C ATOM 1964 C6 DG C 115 21.587 10.113 3.116 1.00 0.36 C ATOM 1965 O6 DG C 115 22.468 9.463 3.680 1.00 0.36 O ATOM 1966 N1 DG C 115 21.703 10.423 1.768 1.00 0.37 N ATOM 1967 C2 DG C 115 20.776 11.137 1.035 1.00 0.38 C ATOM 1968 N2 DG C 115 21.066 11.344 -0.246 1.00 0.41 N ATOM 1969 N3 DG C 115 19.643 11.618 1.545 1.00 0.38 N ATOM 1970 C4 DG C 115 19.509 11.327 2.857 1.00 0.37 C ATOM 1971 H5' DG C 115 17.270 15.035 6.033 1.00 0.44 H ATOM 1972 H5'' DG C 115 15.589 14.638 6.438 1.00 0.42 H ATOM 1973 H4' DG C 115 15.795 15.066 4.049 1.00 0.43 H ATOM 1974 H3' DG C 115 14.570 12.786 5.049 1.00 0.37 H ATOM 1975 H2' DG C 115 16.119 11.145 4.510 1.00 0.33 H ATOM 1976 H2'' DG C 115 15.443 11.332 2.861 1.00 0.34 H ATOM 1977 H1' DG C 115 17.256 12.496 2.125 1.00 0.38 H ATOM 1978 H8 DG C 115 18.086 11.303 5.741 1.00 0.36 H ATOM 1979 H1 DG C 115 22.537 10.093 1.307 1.00 0.37 H ATOM 1980 H21 DG C 115 21.924 10.982 -0.634 1.00 0.41 H ATOM 1981 H22 DG C 115 20.427 11.864 -0.832 1.00 0.42 H ATOM 1982 HO5' DG C 115 16.655 13.083 7.436 1.00 0.93 H ATOM 1983 P DG C 116 13.003 12.541 2.684 1.00 0.37 P ATOM 1984 OP1 DG C 116 11.948 13.421 2.133 1.00 0.39 O ATOM 1985 OP2 DG C 116 12.692 11.637 3.815 1.00 0.34 O ATOM 1986 O5' DG C 116 13.595 11.648 1.476 1.00 0.35 O ATOM 1987 C5' DG C 116 14.037 12.279 0.269 1.00 0.38 C ATOM 1988 C4' DG C 116 14.606 11.273 -0.736 1.00 0.36 C ATOM 1989 O4' DG C 116 15.830 10.749 -0.206 1.00 0.34 O ATOM 1990 C3' DG C 116 13.679 10.084 -1.020 1.00 0.34 C ATOM 1991 O3' DG C 116 13.601 9.841 -2.427 1.00 0.35 O ATOM 1992 C2' DG C 116 14.355 8.903 -0.349 1.00 0.31 C ATOM 1993 C1' DG C 116 15.811 9.328 -0.298 1.00 0.31 C ATOM 1994 N9 DG C 116 16.558 8.785 0.850 1.00 0.29 N ATOM 1995 C8 DG C 116 16.209 8.742 2.168 1.00 0.28 C ATOM 1996 N7 DG C 116 17.099 8.221 2.959 1.00 0.27 N ATOM 1997 C5 DG C 116 18.137 7.884 2.090 1.00 0.27 C ATOM 1998 C6 DG C 116 19.394 7.274 2.359 1.00 0.26 C ATOM 1999 O6 DG C 116 19.856 6.914 3.442 1.00 0.25 O ATOM 2000 N1 DG C 116 20.137 7.109 1.197 1.00 0.26 N ATOM 2001 C2 DG C 116 19.728 7.482 -0.068 1.00 0.28 C ATOM 2002 N2 DG C 116 20.582 7.231 -1.064 1.00 0.29 N ATOM 2003 N3 DG C 116 18.551 8.058 -0.323 1.00 0.29 N ATOM 2004 C4 DG C 116 17.810 8.226 0.796 1.00 0.28 C ATOM 2005 H5' DG C 116 14.809 13.008 0.513 1.00 0.39 H ATOM 2006 H5'' DG C 116 13.194 12.796 -0.189 1.00 0.40 H ATOM 2007 H4' DG C 116 14.816 11.787 -1.673 1.00 0.38 H ATOM 2008 H3' DG C 116 12.703 10.276 -0.573 1.00 0.35 H ATOM 2009 H2' DG C 116 13.960 8.767 0.654 1.00 0.31 H ATOM 2010 H2'' DG C 116 14.235 7.997 -0.943 1.00 0.30 H ATOM 2011 H1' DG C 116 16.322 9.045 -1.217 1.00 0.31 H ATOM 2012 H8 DG C 116 15.245 9.100 2.529 1.00 0.29 H ATOM 2013 H1 DG C 116 21.042 6.681 1.308 1.00 0.26 H ATOM 2014 H21 DG C 116 21.474 6.793 -0.869 1.00 0.28 H ATOM 2015 H22 DG C 116 20.336 7.476 -2.012 1.00 0.30 H ATOM 2016 P DT C 117 12.686 8.645 -2.994 1.00 0.34 P ATOM 2017 OP1 DT C 117 12.183 9.040 -4.329 1.00 0.37 O ATOM 2018 OP2 DT C 117 11.731 8.250 -1.934 1.00 0.33 O ATOM 2019 O5' DT C 117 13.750 7.445 -3.189 1.00 0.30 O ATOM 2020 C5' DT C 117 14.847 7.624 -4.095 1.00 0.30 C ATOM 2021 C4' DT C 117 15.738 6.384 -4.222 1.00 0.28 C ATOM 2022 O4' DT C 117 16.437 6.175 -2.988 1.00 0.26 O ATOM 2023 C3' DT C 117 14.967 5.102 -4.552 1.00 0.27 C ATOM 2024 O3' DT C 117 15.591 4.416 -5.641 1.00 0.26 O ATOM 2025 C2' DT C 117 15.087 4.242 -3.295 1.00 0.24 C ATOM 2026 C1' DT C 117 16.343 4.800 -2.619 1.00 0.23 C ATOM 2027 N1 DT C 117 16.386 4.738 -1.124 1.00 0.22 N ATOM 2028 C2 DT C 117 17.543 4.257 -0.536 1.00 0.21 C ATOM 2029 O2 DT C 117 18.481 3.821 -1.202 1.00 0.21 O ATOM 2030 N3 DT C 117 17.585 4.296 0.849 1.00 0.20 N ATOM 2031 C4 DT C 117 16.588 4.759 1.691 1.00 0.20 C ATOM 2032 O4 DT C 117 16.747 4.760 2.914 1.00 0.19 O ATOM 2033 C5 DT C 117 15.418 5.232 0.984 1.00 0.21 C ATOM 2034 C7 DT C 117 14.187 5.744 1.723 1.00 0.23 C ATOM 2035 C6 DT C 117 15.358 5.209 -0.354 1.00 0.22 C ATOM 2036 H5' DT C 117 15.456 8.457 -3.746 1.00 0.31 H ATOM 2037 H5'' DT C 117 14.450 7.869 -5.080 1.00 0.32 H ATOM 2038 H4' DT C 117 16.471 6.562 -5.010 1.00 0.29 H ATOM 2039 H3' DT C 117 13.922 5.320 -4.775 1.00 0.28 H ATOM 2040 H2' DT C 117 14.204 4.358 -2.676 1.00 0.25 H ATOM 2041 H2'' DT C 117 15.232 3.195 -3.562 1.00 0.24 H ATOM 2042 H1' DT C 117 17.211 4.275 -3.025 1.00 0.23 H ATOM 2043 H3 DT C 117 18.441 3.987 1.284 1.00 0.19 H ATOM 2044 H71 DT C 117 13.287 5.363 1.247 1.00 1.08 H ATOM 2045 H72 DT C 117 14.180 6.827 1.673 1.00 0.98 H ATOM 2046 H73 DT C 117 14.216 5.430 2.764 1.00 1.08 H ATOM 2047 H6 DT C 117 14.488 5.627 -0.827 1.00 0.24 H ATOM 2048 P DG C 118 14.785 3.228 -6.365 1.00 0.26 P ATOM 2049 OP1 DG C 118 15.254 3.144 -7.766 1.00 0.28 O ATOM 2050 OP2 DG C 118 13.344 3.417 -6.087 1.00 0.28 O ATOM 2051 O5' DG C 118 15.269 1.897 -5.598 1.00 0.23 O ATOM 2052 C5' DG C 118 16.609 1.417 -5.750 1.00 0.21 C ATOM 2053 C4' DG C 118 16.822 0.114 -4.980 1.00 0.18 C ATOM 2054 O4' DG C 118 16.941 0.408 -3.585 1.00 0.17 O ATOM 2055 C3' DG C 118 15.668 -0.877 -5.167 1.00 0.18 C ATOM 2056 O3' DG C 118 16.147 -2.199 -5.423 1.00 0.18 O ATOM 2057 C2' DG C 118 14.944 -0.855 -3.818 1.00 0.18 C ATOM 2058 C1' DG C 118 16.046 -0.417 -2.846 1.00 0.16 C ATOM 2059 N9 DG C 118 15.591 0.373 -1.675 1.00 0.17 N ATOM 2060 C8 DG C 118 14.563 1.274 -1.578 1.00 0.19 C ATOM 2061 N7 DG C 118 14.401 1.804 -0.404 1.00 0.19 N ATOM 2062 C5 DG C 118 15.406 1.214 0.357 1.00 0.16 C ATOM 2063 C6 DG C 118 15.734 1.404 1.723 1.00 0.15 C ATOM 2064 O6 DG C 118 15.179 2.125 2.557 1.00 0.16 O ATOM 2065 N1 DG C 118 16.815 0.636 2.111 1.00 0.13 N ATOM 2066 C2 DG C 118 17.511 -0.230 1.287 1.00 0.13 C ATOM 2067 N2 DG C 118 18.536 -0.884 1.831 1.00 0.13 N ATOM 2068 N3 DG C 118 17.203 -0.420 -0.008 1.00 0.13 N ATOM 2069 C4 DG C 118 16.143 0.334 -0.405 1.00 0.15 C ATOM 2070 H5' DG C 118 17.303 2.170 -5.375 1.00 0.21 H ATOM 2071 H5'' DG C 118 16.808 1.242 -6.807 1.00 0.22 H ATOM 2072 H4' DG C 118 17.746 -0.351 -5.323 1.00 0.18 H ATOM 2073 H3' DG C 118 15.024 -0.556 -5.986 1.00 0.20 H ATOM 2074 H2' DG C 118 14.128 -0.138 -3.836 1.00 0.19 H ATOM 2075 H2'' DG C 118 14.579 -1.850 -3.562 1.00 0.18 H ATOM 2076 H1' DG C 118 16.583 -1.299 -2.494 1.00 0.15 H ATOM 2077 H8 DG C 118 13.937 1.547 -2.425 1.00 0.21 H ATOM 2078 H1 DG C 118 17.054 0.760 3.084 1.00 0.12 H ATOM 2079 H21 DG C 118 18.773 -0.735 2.804 1.00 0.13 H ATOM 2080 H22 DG C 118 19.080 -1.526 1.272 1.00 0.14 H ATOM 2081 P DT C 119 15.071 -3.318 -5.867 1.00 0.19 P ATOM 2082 OP1 DT C 119 15.739 -4.256 -6.797 1.00 0.20 O ATOM 2083 OP2 DT C 119 13.831 -2.626 -6.282 1.00 0.21 O ATOM 2084 O5' DT C 119 14.777 -4.097 -4.493 1.00 0.18 O ATOM 2085 C5' DT C 119 15.799 -4.930 -3.954 1.00 0.17 C ATOM 2086 C4' DT C 119 15.482 -5.430 -2.550 1.00 0.16 C ATOM 2087 O4' DT C 119 15.342 -4.330 -1.668 1.00 0.16 O ATOM 2088 C3' DT C 119 14.182 -6.199 -2.387 1.00 0.17 C ATOM 2089 O3' DT C 119 14.346 -7.581 -2.714 1.00 0.17 O ATOM 2090 C2' DT C 119 13.842 -6.004 -0.901 1.00 0.16 C ATOM 2091 C1' DT C 119 14.733 -4.831 -0.475 1.00 0.15 C ATOM 2092 N1 DT C 119 14.019 -3.704 0.159 1.00 0.15 N ATOM 2093 C2 DT C 119 13.918 -3.687 1.537 1.00 0.14 C ATOM 2094 O2 DT C 119 14.419 -4.560 2.240 1.00 0.14 O ATOM 2095 N3 DT C 119 13.223 -2.619 2.079 1.00 0.14 N ATOM 2096 C4 DT C 119 12.617 -1.590 1.372 1.00 0.16 C ATOM 2097 O4 DT C 119 12.019 -0.691 1.962 1.00 0.16 O ATOM 2098 C5 DT C 119 12.778 -1.703 -0.068 1.00 0.17 C ATOM 2099 C7 DT C 119 12.158 -0.663 -1.009 1.00 0.20 C ATOM 2100 C6 DT C 119 13.463 -2.726 -0.606 1.00 0.16 C ATOM 2101 H5' DT C 119 16.732 -4.368 -3.925 1.00 0.17 H ATOM 2102 H5'' DT C 119 15.925 -5.786 -4.612 1.00 0.18 H ATOM 2103 H4' DT C 119 16.334 -6.025 -2.197 1.00 0.16 H ATOM 2104 H3' DT C 119 13.398 -5.762 -3.004 1.00 0.17 H ATOM 2105 H2' DT C 119 12.796 -5.734 -0.789 1.00 0.16 H ATOM 2106 H2'' DT C 119 14.077 -6.901 -0.327 1.00 0.16 H ATOM 2107 H1' DT C 119 15.511 -5.190 0.187 1.00 0.15 H ATOM 2108 H3 DT C 119 13.163 -2.587 3.093 1.00 0.14 H ATOM 2109 H71 DT C 119 11.165 -1.000 -1.313 1.00 0.84 H ATOM 2110 H72 DT C 119 12.783 -0.561 -1.900 1.00 0.93 H ATOM 2111 H73 DT C 119 12.076 0.301 -0.504 1.00 0.96 H ATOM 2112 H6 DT C 119 13.620 -2.745 -1.673 1.00 0.17 H ATOM 2113 P DT C 120 13.035 -8.450 -3.069 1.00 0.18 P ATOM 2114 OP1 DT C 120 13.469 -9.679 -3.772 1.00 0.20 O ATOM 2115 OP2 DT C 120 12.037 -7.553 -3.694 1.00 0.19 O ATOM 2116 O5' DT C 120 12.501 -8.863 -1.610 1.00 0.16 O ATOM 2117 C5' DT C 120 13.272 -9.785 -0.838 1.00 0.16 C ATOM 2118 C4' DT C 120 12.798 -9.903 0.606 1.00 0.15 C ATOM 2119 O4' DT C 120 12.964 -8.657 1.268 1.00 0.14 O ATOM 2120 C3' DT C 120 11.342 -10.281 0.808 1.00 0.15 C ATOM 2121 O3' DT C 120 11.188 -11.702 0.720 1.00 0.16 O ATOM 2122 C2' DT C 120 11.081 -9.786 2.230 1.00 0.15 C ATOM 2123 C1' DT C 120 12.038 -8.589 2.360 1.00 0.14 C ATOM 2124 N1 DT C 120 11.368 -7.280 2.270 1.00 0.14 N ATOM 2125 C2 DT C 120 10.972 -6.667 3.444 1.00 0.14 C ATOM 2126 O2 DT C 120 11.208 -7.152 4.547 1.00 0.14 O ATOM 2127 N3 DT C 120 10.308 -5.463 3.300 1.00 0.14 N ATOM 2128 C4 DT C 120 10.005 -4.839 2.102 1.00 0.14 C ATOM 2129 O4 DT C 120 9.407 -3.764 2.087 1.00 0.15 O ATOM 2130 C5 DT C 120 10.459 -5.563 0.934 1.00 0.15 C ATOM 2131 C7 DT C 120 10.138 -5.024 -0.455 1.00 0.16 C ATOM 2132 C6 DT C 120 11.119 -6.726 1.056 1.00 0.15 C ATOM 2133 H5' DT C 120 14.312 -9.459 -0.839 1.00 0.16 H ATOM 2134 H5'' DT C 120 13.212 -10.768 -1.305 1.00 0.17 H ATOM 2135 H4' DT C 120 13.420 -10.645 1.108 1.00 0.15 H ATOM 2136 H3' DT C 120 10.688 -9.774 0.099 1.00 0.16 H ATOM 2137 H2' DT C 120 10.045 -9.466 2.344 1.00 0.16 H ATOM 2138 H2'' DT C 120 11.330 -10.556 2.959 1.00 0.15 H ATOM 2139 H1' DT C 120 12.579 -8.655 3.298 1.00 0.14 H ATOM 2140 H3 DT C 120 10.023 -4.990 4.149 1.00 0.14 H ATOM 2141 H71 DT C 120 10.182 -5.843 -1.174 1.00 0.96 H ATOM 2142 H72 DT C 120 10.865 -4.263 -0.731 1.00 1.00 H ATOM 2143 H73 DT C 120 9.139 -4.593 -0.459 1.00 0.95 H ATOM 2144 H6 DT C 120 11.510 -7.205 0.171 1.00 0.15 H ATOM 2145 P DT C 121 9.751 -12.353 0.371 1.00 0.17 P ATOM 2146 OP1 DT C 121 9.967 -13.751 -0.056 1.00 0.18 O ATOM 2147 OP2 DT C 121 9.022 -11.417 -0.512 1.00 0.17 O ATOM 2148 O5' DT C 121 9.014 -12.369 1.803 1.00 0.16 O ATOM 2149 C5' DT C 121 9.618 -13.097 2.871 1.00 0.16 C ATOM 2150 C4' DT C 121 8.848 -12.998 4.183 1.00 0.16 C ATOM 2151 O4' DT C 121 8.787 -11.611 4.543 1.00 0.16 O ATOM 2152 C3' DT C 121 7.412 -13.532 4.135 1.00 0.17 C ATOM 2153 O3' DT C 121 7.168 -14.353 5.281 1.00 0.18 O ATOM 2154 C2' DT C 121 6.509 -12.311 4.213 1.00 0.17 C ATOM 2155 C1' DT C 121 7.429 -11.187 4.688 1.00 0.16 C ATOM 2156 N1 DT C 121 7.252 -9.898 3.953 1.00 0.16 N ATOM 2157 C2 DT C 121 7.162 -8.746 4.714 1.00 0.16 C ATOM 2158 O2 DT C 121 7.292 -8.765 5.935 1.00 0.16 O ATOM 2159 N3 DT C 121 6.909 -7.573 4.026 1.00 0.15 N ATOM 2160 C4 DT C 121 6.741 -7.450 2.656 1.00 0.15 C ATOM 2161 O4 DT C 121 6.524 -6.355 2.140 1.00 0.15 O ATOM 2162 C5 DT C 121 6.852 -8.702 1.945 1.00 0.15 C ATOM 2163 C7 DT C 121 6.591 -8.755 0.449 1.00 0.16 C ATOM 2164 C6 DT C 121 7.107 -9.852 2.586 1.00 0.15 C ATOM 2165 H5' DT C 121 10.627 -12.716 3.028 1.00 0.16 H ATOM 2166 H5'' DT C 121 9.682 -14.146 2.584 1.00 0.17 H ATOM 2167 H4' DT C 121 9.409 -13.538 4.948 1.00 0.16 H ATOM 2168 H3' DT C 121 7.236 -14.086 3.213 1.00 0.17 H ATOM 2169 H2' DT C 121 6.079 -12.094 3.240 1.00 0.17 H ATOM 2170 H2'' DT C 121 5.717 -12.480 4.941 1.00 0.18 H ATOM 2171 H1' DT C 121 7.238 -11.019 5.751 1.00 0.17 H ATOM 2172 H3 DT C 121 6.804 -6.736 4.586 1.00 0.15 H ATOM 2173 H71 DT C 121 5.605 -9.180 0.275 1.00 0.88 H ATOM 2174 H72 DT C 121 7.339 -9.383 -0.026 1.00 0.94 H ATOM 2175 H73 DT C 121 6.634 -7.752 0.031 1.00 0.90 H ATOM 2176 H6 DT C 121 7.242 -10.752 1.993 1.00 0.16 H ATOM 2177 P DG C 122 5.766 -15.135 5.433 1.00 0.19 P ATOM 2178 OP1 DG C 122 6.009 -16.372 6.209 1.00 0.20 O ATOM 2179 OP2 DG C 122 5.133 -15.215 4.098 1.00 0.19 O ATOM 2180 O5' DG C 122 4.894 -14.130 6.346 1.00 0.19 O ATOM 2181 C5' DG C 122 5.360 -13.812 7.659 1.00 0.20 C ATOM 2182 C4' DG C 122 4.446 -12.837 8.406 1.00 0.19 C ATOM 2183 O4' DG C 122 4.482 -11.551 7.763 1.00 0.19 O ATOM 2184 C3' DG C 122 2.988 -13.281 8.466 1.00 0.20 C ATOM 2185 O3' DG C 122 2.480 -13.091 9.784 1.00 0.20 O ATOM 2186 C2' DG C 122 2.254 -12.354 7.508 1.00 0.19 C ATOM 2187 C1' DG C 122 3.151 -11.128 7.450 1.00 0.18 C ATOM 2188 N9 DG C 122 3.184 -10.479 6.127 1.00 0.17 N ATOM 2189 C8 DG C 122 3.363 -11.059 4.906 1.00 0.17 C ATOM 2190 N7 DG C 122 3.378 -10.241 3.901 1.00 0.16 N ATOM 2191 C5 DG C 122 3.186 -8.995 4.500 1.00 0.16 C ATOM 2192 C6 DG C 122 3.105 -7.708 3.908 1.00 0.15 C ATOM 2193 O6 DG C 122 3.190 -7.410 2.721 1.00 0.15 O ATOM 2194 N1 DG C 122 2.906 -6.715 4.856 1.00 0.15 N ATOM 2195 C2 DG C 122 2.791 -6.926 6.216 1.00 0.16 C ATOM 2196 N2 DG C 122 2.587 -5.843 6.970 1.00 0.16 N ATOM 2197 N3 DG C 122 2.868 -8.143 6.782 1.00 0.16 N ATOM 2198 C4 DG C 122 3.065 -9.128 5.865 1.00 0.16 C ATOM 2199 H5' DG C 122 6.350 -13.374 7.579 1.00 0.20 H ATOM 2200 H5'' DG C 122 5.431 -14.733 8.237 1.00 0.21 H ATOM 2201 H4' DG C 122 4.818 -12.726 9.426 1.00 0.20 H ATOM 2202 H3' DG C 122 2.875 -14.323 8.164 1.00 0.20 H ATOM 2203 H2' DG C 122 2.164 -12.813 6.524 1.00 0.19 H ATOM 2204 H2'' DG C 122 1.272 -12.093 7.903 1.00 0.19 H ATOM 2205 H1' DG C 122 2.820 -10.405 8.197 1.00 0.18 H ATOM 2206 H8 DG C 122 3.470 -12.138 4.793 1.00 0.17 H ATOM 2207 H1 DG C 122 2.875 -5.774 4.485 1.00 0.15 H ATOM 2208 H21 DG C 122 2.525 -4.928 6.539 1.00 0.16 H ATOM 2209 H22 DG C 122 2.490 -5.937 7.971 1.00 0.17 H ATOM 2210 P DT C 123 1.004 -13.613 10.140 1.00 0.20 P ATOM 2211 OP1 DT C 123 0.983 -14.005 11.567 1.00 0.21 O ATOM 2212 OP2 DT C 123 0.591 -14.583 9.101 1.00 0.21 O ATOM 2213 O5' DT C 123 0.115 -12.284 9.971 1.00 0.18 O ATOM 2214 C5' DT C 123 0.387 -11.169 10.818 1.00 0.17 C ATOM 2215 C4' DT C 123 -0.566 -10.002 10.587 1.00 0.15 C ATOM 2216 O4' DT C 123 -0.261 -9.389 9.327 1.00 0.15 O ATOM 2217 C3' DT C 123 -2.038 -10.406 10.572 1.00 0.15 C ATOM 2218 O3' DT C 123 -2.765 -9.579 11.475 1.00 0.15 O ATOM 2219 C2' DT C 123 -2.521 -10.122 9.148 1.00 0.15 C ATOM 2220 C1' DT C 123 -1.468 -9.159 8.601 1.00 0.15 C ATOM 2221 N1 DT C 123 -1.158 -9.301 7.145 1.00 0.15 N ATOM 2222 C2 DT C 123 -1.069 -8.131 6.395 1.00 0.15 C ATOM 2223 O2 DT C 123 -1.270 -7.023 6.889 1.00 0.15 O ATOM 2224 N3 DT C 123 -0.751 -8.285 5.056 1.00 0.15 N ATOM 2225 C4 DT C 123 -0.534 -9.483 4.402 1.00 0.15 C ATOM 2226 O4 DT C 123 -0.260 -9.501 3.200 1.00 0.15 O ATOM 2227 C5 DT C 123 -0.649 -10.645 5.251 1.00 0.16 C ATOM 2228 C7 DT C 123 -0.434 -12.031 4.653 1.00 0.18 C ATOM 2229 C6 DT C 123 -0.945 -10.530 6.563 1.00 0.15 C ATOM 2230 H5' DT C 123 1.407 -10.829 10.637 1.00 0.18 H ATOM 2231 H5'' DT C 123 0.304 -11.488 11.858 1.00 0.17 H ATOM 2232 H4' DT C 123 -0.418 -9.269 11.379 1.00 0.15 H ATOM 2233 H3' DT C 123 -2.159 -11.460 10.821 1.00 0.15 H ATOM 2234 H2' DT C 123 -2.564 -11.038 8.569 1.00 0.15 H ATOM 2235 H2'' DT C 123 -3.499 -9.640 9.170 1.00 0.15 H ATOM 2236 H1' DT C 123 -1.805 -8.137 8.791 1.00 0.15 H ATOM 2237 H3 DT C 123 -0.566 -7.445 4.519 1.00 0.16 H ATOM 2238 H71 DT C 123 -0.463 -11.967 3.565 1.00 1.04 H ATOM 2239 H72 DT C 123 -1.221 -12.702 4.998 1.00 1.05 H ATOM 2240 H73 DT C 123 0.534 -12.417 4.969 1.00 1.04 H ATOM 2241 H6 DT C 123 -0.980 -11.430 7.174 1.00 0.16 H ATOM 2242 P DG C 124 -4.320 -9.869 11.738 1.00 0.15 P ATOM 2243 OP1 DG C 124 -4.634 -9.502 13.136 1.00 0.16 O ATOM 2244 OP2 DG C 124 -4.633 -11.227 11.240 1.00 0.16 O ATOM 2245 O5' DG C 124 -5.020 -8.802 10.768 1.00 0.14 O ATOM 2246 C5' DG C 124 -4.762 -7.416 10.985 1.00 0.15 C ATOM 2247 C4' DG C 124 -5.532 -6.530 10.021 1.00 0.15 C ATOM 2248 O4' DG C 124 -4.988 -6.662 8.698 1.00 0.15 O ATOM 2249 C3' DG C 124 -7.020 -6.861 9.949 1.00 0.16 C ATOM 2250 O3' DG C 124 -7.764 -5.648 10.025 1.00 0.18 O ATOM 2251 C2' DG C 124 -7.203 -7.509 8.579 1.00 0.14 C ATOM 2252 C1' DG C 124 -6.045 -6.940 7.775 1.00 0.14 C ATOM 2253 N9 DG C 124 -5.512 -7.840 6.733 1.00 0.13 N ATOM 2254 C8 DG C 124 -5.193 -9.165 6.814 1.00 0.12 C ATOM 2255 N7 DG C 124 -4.713 -9.686 5.723 1.00 0.12 N ATOM 2256 C5 DG C 124 -4.709 -8.614 4.831 1.00 0.12 C ATOM 2257 C6 DG C 124 -4.293 -8.560 3.471 1.00 0.13 C ATOM 2258 O6 DG C 124 -3.829 -9.461 2.775 1.00 0.13 O ATOM 2259 N1 DG C 124 -4.460 -7.288 2.938 1.00 0.13 N ATOM 2260 C2 DG C 124 -4.958 -6.200 3.623 1.00 0.14 C ATOM 2261 N2 DG C 124 -5.042 -5.058 2.937 1.00 0.15 N ATOM 2262 N3 DG C 124 -5.348 -6.246 4.902 1.00 0.14 N ATOM 2263 C4 DG C 124 -5.196 -7.479 5.442 1.00 0.13 C ATOM 2264 H5' DG C 124 -3.695 -7.232 10.859 1.00 0.16 H ATOM 2265 H5'' DG C 124 -5.048 -7.159 12.005 1.00 0.16 H ATOM 2266 H4' DG C 124 -5.422 -5.493 10.341 1.00 0.17 H ATOM 2267 H3' DG C 124 -7.310 -7.545 10.745 1.00 0.16 H ATOM 2268 H2' DG C 124 -7.125 -8.594 8.653 1.00 0.14 H ATOM 2269 H2'' DG C 124 -8.155 -7.218 8.141 1.00 0.15 H ATOM 2270 H1' DG C 124 -6.366 -6.014 7.306 1.00 0.15 H ATOM 2271 H8 DG C 124 -5.331 -9.745 7.727 1.00 0.12 H ATOM 2272 H1 DG C 124 -4.199 -7.182 1.969 1.00 0.14 H ATOM 2273 H21 DG C 124 -4.747 -5.025 1.971 1.00 0.16 H ATOM 2274 H22 DG C 124 -5.399 -4.226 3.385 1.00 0.16 H ATOM 2275 P DC C 125 -9.368 -5.675 10.034 1.00 0.20 P ATOM 2276 OP1 DC C 125 -9.847 -4.636 10.974 1.00 0.23 O ATOM 2277 OP2 DC C 125 -9.812 -7.078 10.190 1.00 0.20 O ATOM 2278 O5' DC C 125 -9.702 -5.200 8.541 1.00 0.20 O ATOM 2279 C5' DC C 125 -9.220 -3.925 8.116 1.00 0.20 C ATOM 2280 C4' DC C 125 -9.620 -3.598 6.688 1.00 0.20 C ATOM 2281 O4' DC C 125 -8.940 -4.490 5.788 1.00 0.18 O ATOM 2282 C3' DC C 125 -11.117 -3.729 6.425 1.00 0.22 C ATOM 2283 O3' DC C 125 -11.559 -2.600 5.685 1.00 0.23 O ATOM 2284 C2' DC C 125 -11.260 -4.990 5.590 1.00 0.20 C ATOM 2285 C1' DC C 125 -9.892 -5.106 4.916 1.00 0.18 C ATOM 2286 N1 DC C 125 -9.416 -6.500 4.621 1.00 0.17 N ATOM 2287 C2 DC C 125 -8.923 -6.758 3.342 1.00 0.17 C ATOM 2288 O2 DC C 125 -8.904 -5.867 2.496 1.00 0.18 O ATOM 2289 N3 DC C 125 -8.459 -8.008 3.062 1.00 0.16 N ATOM 2290 C4 DC C 125 -8.470 -8.974 3.987 1.00 0.15 C ATOM 2291 N4 DC C 125 -8.000 -10.184 3.680 1.00 0.14 N ATOM 2292 C5 DC C 125 -8.970 -8.725 5.298 1.00 0.15 C ATOM 2293 C6 DC C 125 -9.429 -7.490 5.574 1.00 0.16 C ATOM 2294 H5' DC C 125 -8.133 -3.918 8.188 1.00 0.20 H ATOM 2295 H5'' DC C 125 -9.622 -3.158 8.779 1.00 0.22 H ATOM 2296 H4' DC C 125 -9.315 -2.572 6.468 1.00 0.21 H ATOM 2297 H3' DC C 125 -11.671 -3.820 7.360 1.00 0.23 H ATOM 2298 H2' DC C 125 -11.473 -5.837 6.235 1.00 0.21 H ATOM 2299 H2'' DC C 125 -12.046 -4.868 4.844 1.00 0.21 H ATOM 2300 H1' DC C 125 -9.926 -4.530 3.983 1.00 0.19 H ATOM 2301 H41 DC C 125 -7.644 -10.368 2.753 1.00 0.14 H ATOM 2302 H42 DC C 125 -8.000 -10.917 4.375 1.00 0.14 H ATOM 2303 H5 DC C 125 -8.984 -9.512 6.052 1.00 0.16 H ATOM 2304 H6 DC C 125 -9.789 -7.280 6.570 1.00 0.17 H ATOM 2305 P DA C 126 -13.103 -2.455 5.280 1.00 0.25 P ATOM 2306 OP1 DA C 126 -13.482 -1.029 5.387 1.00 0.28 O ATOM 2307 OP2 DA C 126 -13.876 -3.488 6.005 1.00 0.27 O ATOM 2308 O5' DA C 126 -13.058 -2.853 3.727 1.00 0.24 O ATOM 2309 C5' DA C 126 -12.207 -2.094 2.869 1.00 0.24 C ATOM 2310 C4' DA C 126 -12.340 -2.496 1.410 1.00 0.24 C ATOM 2311 O4' DA C 126 -11.745 -3.783 1.211 1.00 0.22 O ATOM 2312 C3' DA C 126 -13.787 -2.574 0.928 1.00 0.26 C ATOM 2313 O3' DA C 126 -13.899 -1.956 -0.348 1.00 0.28 O ATOM 2314 C2' DA C 126 -14.069 -4.064 0.797 1.00 0.26 C ATOM 2315 C1' DA C 126 -12.685 -4.651 0.578 1.00 0.23 C ATOM 2316 N9 DA C 126 -12.499 -5.995 1.158 1.00 0.22 N ATOM 2317 C8 DA C 126 -12.884 -6.473 2.380 1.00 0.22 C ATOM 2318 N7 DA C 126 -12.555 -7.708 2.616 1.00 0.21 N ATOM 2319 C5 DA C 126 -11.892 -8.084 1.450 1.00 0.20 C ATOM 2320 C6 DA C 126 -11.286 -9.277 1.048 1.00 0.19 C ATOM 2321 N6 DA C 126 -11.242 -10.371 1.809 1.00 0.19 N ATOM 2322 N1 DA C 126 -10.723 -9.300 -0.170 1.00 0.18 N ATOM 2323 C2 DA C 126 -10.750 -8.226 -0.947 1.00 0.19 C ATOM 2324 N3 DA C 126 -11.295 -7.049 -0.669 1.00 0.20 N ATOM 2325 C4 DA C 126 -11.854 -7.049 0.560 1.00 0.20 C ATOM 2326 H5' DA C 126 -11.171 -2.254 3.182 1.00 0.22 H ATOM 2327 H5'' DA C 126 -12.451 -1.037 2.970 1.00 0.25 H ATOM 2328 H4' DA C 126 -11.806 -1.768 0.800 1.00 0.24 H ATOM 2329 H3' DA C 126 -14.466 -2.111 1.645 1.00 0.27 H ATOM 2330 H2' DA C 126 -14.515 -4.452 1.711 1.00 0.26 H ATOM 2331 H2'' DA C 126 -14.711 -4.261 -0.062 1.00 0.27 H ATOM 2332 H1' DA C 126 -12.479 -4.685 -0.495 1.00 0.24 H ATOM 2333 H8 DA C 126 -13.415 -5.861 3.110 1.00 0.23 H ATOM 2334 H61 DA C 126 -10.788 -11.208 1.465 1.00 0.19 H ATOM 2335 H62 DA C 126 -11.660 -10.365 2.728 1.00 0.20 H ATOM 2336 H2 DA C 126 -10.269 -8.324 -1.917 1.00 0.19 H ATOM 2337 P DG C 127 -15.330 -1.862 -1.066 1.00 0.31 P ATOM 2338 OP1 DG C 127 -15.380 -0.602 -1.841 1.00 0.33 O ATOM 2339 OP2 DG C 127 -16.376 -2.157 -0.061 1.00 0.32 O ATOM 2340 O5' DG C 127 -15.261 -3.089 -2.100 1.00 0.32 O ATOM 2341 C5' DG C 127 -14.220 -3.093 -3.075 1.00 0.33 C ATOM 2342 C4' DG C 127 -14.326 -4.262 -4.044 1.00 0.35 C ATOM 2343 O4' DG C 127 -13.987 -5.477 -3.368 1.00 0.32 O ATOM 2344 C3' DG C 127 -15.719 -4.438 -4.647 1.00 0.39 C ATOM 2345 O3' DG C 127 -15.598 -4.668 -6.051 1.00 0.43 O ATOM 2346 C2' DG C 127 -16.270 -5.687 -3.964 1.00 0.39 C ATOM 2347 C1' DG C 127 -15.006 -6.449 -3.598 1.00 0.34 C ATOM 2348 N9 DG C 127 -15.108 -7.277 -2.376 1.00 0.32 N ATOM 2349 C8 DG C 127 -15.688 -6.988 -1.170 1.00 0.32 C ATOM 2350 N7 DG C 127 -15.583 -7.922 -0.266 1.00 0.30 N ATOM 2351 C5 DG C 127 -14.871 -8.922 -0.927 1.00 0.29 C ATOM 2352 C6 DG C 127 -14.443 -10.197 -0.463 1.00 0.27 C ATOM 2353 O6 DG C 127 -14.603 -10.704 0.651 1.00 0.28 O ATOM 2354 N1 DG C 127 -13.756 -10.887 -1.453 1.00 0.27 N ATOM 2355 C2 DG C 127 -13.508 -10.417 -2.726 1.00 0.28 C ATOM 2356 N2 DG C 127 -12.830 -11.226 -3.538 1.00 0.29 N ATOM 2357 N3 DG C 127 -13.907 -9.225 -3.160 1.00 0.30 N ATOM 2358 C4 DG C 127 -14.580 -8.533 -2.216 1.00 0.30 C ATOM 2359 H5' DG C 127 -13.260 -3.158 -2.555 1.00 0.30 H ATOM 2360 H5'' DG C 127 -14.257 -2.161 -3.639 1.00 0.34 H ATOM 2361 H4' DG C 127 -13.615 -4.105 -4.855 1.00 0.36 H ATOM 2362 H3' DG C 127 -16.349 -3.572 -4.445 1.00 0.40 H ATOM 2363 H2' DG C 127 -16.835 -5.420 -3.071 1.00 0.38 H ATOM 2364 H2'' DG C 127 -16.885 -6.266 -4.654 1.00 0.42 H ATOM 2365 H1' DG C 127 -14.718 -7.080 -4.445 1.00 0.36 H ATOM 2366 H8 DG C 127 -16.197 -6.045 -0.976 1.00 0.33 H ATOM 2367 H1 DG C 127 -13.420 -11.802 -1.200 1.00 0.26 H ATOM 2368 H21 DG C 127 -12.525 -12.132 -3.212 1.00 0.27 H ATOM 2369 H22 DG C 127 -12.620 -10.933 -4.481 1.00 0.31 H ATOM 2370 P DG C 128 -16.911 -4.783 -6.968 1.00 0.49 P ATOM 2371 OP1 DG C 128 -16.597 -4.221 -8.301 1.00 0.53 O ATOM 2372 OP2 DG C 128 -18.062 -4.262 -6.198 1.00 0.50 O ATOM 2373 O5' DG C 128 -17.083 -6.374 -7.119 1.00 0.49 O ATOM 2374 C5' DG C 128 -16.040 -7.125 -7.745 1.00 0.49 C ATOM 2375 C4' DG C 128 -16.390 -8.601 -7.877 1.00 0.50 C ATOM 2376 O4' DG C 128 -16.307 -9.228 -6.595 1.00 0.46 O ATOM 2377 C3' DG C 128 -17.792 -8.861 -8.437 1.00 0.54 C ATOM 2378 O3' DG C 128 -17.792 -9.938 -9.379 1.00 0.57 O ATOM 2379 C2' DG C 128 -18.586 -9.230 -7.189 1.00 0.53 C ATOM 2380 C1' DG C 128 -17.525 -9.918 -6.349 1.00 0.48 C ATOM 2381 N9 DG C 128 -17.753 -9.906 -4.895 1.00 0.46 N ATOM 2382 C8 DG C 128 -18.232 -8.912 -4.092 1.00 0.46 C ATOM 2383 N7 DG C 128 -18.263 -9.197 -2.824 1.00 0.44 N ATOM 2384 C5 DG C 128 -17.761 -10.497 -2.779 1.00 0.42 C ATOM 2385 C6 DG C 128 -17.549 -11.358 -1.668 1.00 0.40 C ATOM 2386 O6 DG C 128 -17.762 -11.135 -0.479 1.00 0.40 O ATOM 2387 N1 DG C 128 -17.029 -12.584 -2.067 1.00 0.39 N ATOM 2388 C2 DG C 128 -16.745 -12.939 -3.370 1.00 0.40 C ATOM 2389 N2 DG C 128 -16.249 -14.161 -3.560 1.00 0.39 N ATOM 2390 N3 DG C 128 -16.942 -12.132 -4.412 1.00 0.42 N ATOM 2391 C4 DG C 128 -17.449 -10.935 -4.044 1.00 0.43 C ATOM 2392 H5' DG C 128 -15.135 -7.033 -7.135 1.00 0.45 H ATOM 2393 H5'' DG C 128 -15.847 -6.713 -8.735 1.00 0.52 H ATOM 2394 H4' DG C 128 -15.664 -9.071 -8.539 1.00 0.50 H ATOM 2395 H3' DG C 128 -18.196 -7.956 -8.891 1.00 0.57 H ATOM 2396 HO3' DG C 128 -18.451 -10.572 -9.088 1.00 1.08 H ATOM 2397 H2' DG C 128 -18.964 -8.339 -6.689 1.00 0.53 H ATOM 2398 H2'' DG C 128 -19.397 -9.918 -7.431 1.00 0.56 H ATOM 2399 H1' DG C 128 -17.419 -10.950 -6.684 1.00 0.49 H ATOM 2400 H8 DG C 128 -18.562 -7.949 -4.483 1.00 0.48 H ATOM 2401 H1 DG C 128 -16.852 -13.251 -1.331 1.00 0.38 H ATOM 2402 H21 DG C 128 -16.099 -14.773 -2.771 1.00 0.38 H ATOM 2403 H22 DG C 128 -16.022 -14.474 -4.494 1.00 0.39 H TER 2404 DG C 128 MASTER 172 0 0 3 0 0 0 6 2401 3 0 11 END