HEADER COMPLEX (ZINC FINGER/DNA) 10-DEC-97 1A1L TITLE ZIF268 ZINC FINGER-DNA COMPLEX (GCAC SITE) COMPND MOL_ID: 1; COMPND 2 MOLECULE: ZIF268 ZINC FINGER PEPTIDE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: ZINC FINGER; COMPND 5 BIOLOGICAL_UNIT: MONOMER; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: DUPLEX OLIGONUCLEOTIDE BINDING SITE; COMPND 8 CHAIN: B, C; COMPND 9 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: MOUSE; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 6 EXPRESSION_SYSTEM_PLASMID: PZIF268; SOURCE 7 MOL_ID: 2; SOURCE 8 SYNTHETIC: YES KEYWDS COMPLEX (ZINC FINGER/DNA), ZINC FINGER, DNA-BINDING PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR M.ELROD-ERICKSON,T.E.BENSON,C.O.PABO REVDAT 1 10-JUN-98 1A1L 0 JRNL AUTH M.ELROD-ERICKSON,T.E.BENSON,C.O.PABO JRNL TITL HIGH-RESOLUTION STRUCTURES OF VARIANT ZIF268-DNA JRNL TITL 2 COMPLEXES: IMPLICATIONS FOR UNDERSTANDING ZINC JRNL TITL 3 FINGER-DNA RECOGNITION JRNL REF STRUCTURE (LONDON) V. 6 451 1998 JRNL REFN ASTM STRUE6 UK ISSN 0969-2126 2005 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.ELROD-ERICKSON,M.A.ROULD,L.NEKLUDOVA,C.O.PABO REMARK 1 TITL ZIF268 PROTEIN-DNA COMPLEX REFINED AT 1.6 A: A REMARK 1 TITL 2 MODEL SYSTEM FOR UNDERSTANDING ZINC FINGER-DNA REMARK 1 TITL 3 INTERACTIONS REMARK 1 REF STRUCTURE (LONDON) V. 4 1171 1996 REMARK 1 REFN ASTM STRUE6 UK ISSN 0969-2126 2005 REMARK 1 REFERENCE 2 REMARK 1 AUTH E.J.REBAR,C.O.PABO REMARK 1 TITL ZINC FINGER PHAGE: AFFINITY SELECTION OF FINGERS REMARK 1 TITL 2 WITH NEW DNA-BINDING SPECIFICITIES REMARK 1 REF SCIENCE V. 263 671 1994 REMARK 1 REFN ASTM SCIEAS US ISSN 0036-8075 0038 REMARK 1 REFERENCE 3 REMARK 1 AUTH N.P.PAVLETICH,C.O.PABO REMARK 1 TITL ZINC FINGER-DNA RECOGNITION: CRYSTAL STRUCTURE OF A REMARK 1 TITL 2 ZIF268-DNA COMPLEX AT 2.1 A REMARK 1 REF SCIENCE V. 252 809 1991 REMARK 1 REFN ASTM SCIEAS US ISSN 0036-8075 0038 REMARK 2 REMARK 2 RESOLUTION. 2.3 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.8 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.3 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20. REMARK 3 DATA CUTOFF (SIGMA(F)) : 0. REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 100000. REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 91.2 REMARK 3 NUMBER OF REFLECTIONS : 21186 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : BASED ON 1AAY TEST SET REMARK 3 R VALUE (WORKING SET) : 0.196 REMARK 3 FREE R VALUE : 0.267 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 11.1 REMARK 3 FREE R VALUE TEST SET COUNT : 758 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.010 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 8 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.3 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.40 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 66.3 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 539 REMARK 3 BIN R VALUE (WORKING SET) : 0.275 REMARK 3 BIN FREE R VALUE : 0.297 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 13.2 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 82 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.033 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 719 REMARK 3 NUCLEIC ACID ATOMS : 445 REMARK 3 HETEROGEN ATOMS : 3 REMARK 3 SOLVENT ATOMS : 101 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 32.3 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 7.719 REMARK 3 B22 (A**2) : 15.04 REMARK 3 B33 (A**2) : 11.26 REMARK 3 B12 (A**2) : 0. REMARK 3 B13 (A**2) : 0. REMARK 3 B23 (A**2) : 0. REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.007 REMARK 3 BOND ANGLES (DEGREES) : 1.2 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 24.0 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.2 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED INDIVIDUAL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.61 ; 1.5 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.58 ; 2.0 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.78 ; 2.0 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 4.29 ; 2.5 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PARHCSDX.PRO REMARK 3 PARAMETER FILE 2 : PARNDBX.DNA REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO REMARK 3 TOPOLOGY FILE 2 : TOPNDBX.DNA REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES (DNA) REMARK 3 BOND LENGTHS (A) : 0.003 REMARK 3 BOND ANGLES (DEGREES) : 0.821 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 18.3 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.23 REMARK 4 REMARK 4 1A1L COMPLIES WITH FORMAT V. 2.2, 16-DEC-1996 REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : JUL-1995 REMARK 200 TEMPERATURE (KELVIN) : 130 REMARK 200 PH : 8.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU200 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : YALE MIRRORS REMARK 200 OPTICS : YALE MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : R-AXIS IIC REMARK 200 DETECTOR MANUFACTURER : RIGAKU REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 6831 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.3 REMARK 200 RESOLUTION RANGE LOW (A) : 20.0 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -2. REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 91.2 REMARK 200 DATA REDUNDANCY : 4.1 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.055 REMARK 200 FOR THE DATA SET : 26.6 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.30 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.38 REMARK 200 COMPLETENESS FOR SHELL (%) : 65.2 REMARK 200 DATA REDUNDANCY IN SHELL : 2.6 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.127 REMARK 200 FOR SHELL : 7.6 REMARK 200 REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: ISOMORPHOUS REMARK 200 MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: X-PLOR REMARK 200 STARTING MODEL: PDB ENTRY 1AAY, WITHOUT WATERS AND WITHOUT REMARK 200 SIDE CHAINS FOR RESIDUES 18 - 24 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): NULL REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): NULL REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 35% PEG 1450, 300MM NACL, 25 MM REMARK 280 BIS TRIS PROPANE PH 8.0 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,1/2+Z REMARK 290 3555 -X,Y,1/2-Z REMARK 290 4555 X,-Y,-Z REMARK 290 5555 1/2+X,1/2+Y,Z REMARK 290 6555 1/2-X,1/2-Y,1/2+Z REMARK 290 7555 1/2-X,1/2+Y,1/2-Z REMARK 290 8555 1/2+X,1/2-Y,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 66.25149 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 66.25149 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 21.64971 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 27.95014 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 21.64971 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 27.95014 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 66.25149 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 21.64971 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 27.95014 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 66.25149 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 21.64971 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 27.95014 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 550 REMARK 550 SEGID REMARK 550 ZIFA: ZIF268 ZINC FINGER PEPTIDE REMARK 550 ZIN: ZINCS REMARK 550 WAT: WATERS REMARK 550 DNAB: THE G-RICH STRAND OF THE BINDING SITE REMARK 550 DNAC: THE C-RICH STRAND OF THE BINDING SITE REMARK 650 REMARK 650 HELIX REMARK 650 DETERMINATION METHOD: TAKEN FROM RELEASED PDB ENTRY 1AAY REMARK 999 REMARK 999 SEQUENCE REMARK 999 1A1L A SWS P08154 1 - 308 NOT IN ATOMS LIST REMARK 999 1A1L A SWS P08154 394 - 508 NOT IN ATOMS LIST DBREF 1A1L A 103 187 SWS P08154 EGR1_RAT 309 393 DBREF 1A1L B 1 11 PDB 1A1L 1A1L 1 11 DBREF 1A1L C 51 61 PDB 1A1L 1A1L 51 61 SEQRES 1 A 90 MET GLU ARG PRO TYR ALA CYS PRO VAL GLU SER CYS ASP SEQRES 2 A 90 ARG ARG PHE SER ARG SER ASP GLU LEU THR ARG HIS ILE SEQRES 3 A 90 ARG ILE HIS THR GLY GLN LYS PRO PHE GLN CYS ARG ILE SEQRES 4 A 90 CYS MET ARG ASN PHE SER ARG SER ASP HIS LEU THR THR SEQRES 5 A 90 HIS ILE ARG THR HIS THR GLY GLU LYS PRO PHE ALA CYS SEQRES 6 A 90 ASP ILE CYS GLY ARG LYS PHE ALA ARG SER ASP GLU ARG SEQRES 7 A 90 LYS ARG HIS THR LYS ILE HIS LEU ARG GLN LYS ASP SEQRES 1 B 11 A G C G T G G G C A C SEQRES 1 C 11 T G T G C C C A C G C HET ZN A 201 1 HET ZN A 202 1 HET ZN A 203 1 HETNAM ZN ZINC ION FORMUL 4 ZN 3(ZN1 2+) FORMUL 5 HOH *101(H2 O1) HELIX 1 1 SER A 119 THR A 130 1 12 HELIX 2 2 SER A 147 THR A 158 1 12 HELIX 3 3 SER A 175 HIS A 185 1 11 LINK ZN ZN A 201 SG CYS A 107 LINK ZN ZN A 201 SG CYS A 112 LINK ZN ZN A 201 NE2 HIS A 125 LINK ZN ZN A 201 NE2 HIS A 129 LINK ZN ZN A 202 SG CYS A 137 LINK ZN ZN A 202 SG CYS A 140 LINK ZN ZN A 202 NE2 HIS A 153 LINK ZN ZN A 202 NE2 HIS A 157 LINK ZN ZN A 203 SG CYS A 165 LINK ZN ZN A 203 SG CYS A 168 LINK ZN ZN A 203 NE2 HIS A 181 LINK ZN ZN A 203 NE2 HIS A 185 CRYST1 43.300 55.900 132.500 90.00 90.00 90.00 C 2 2 21 8 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 0.023095 0.000000 0.000000 0.00000 SCALE2 0.000000 0.017889 0.000000 0.00000 SCALE3 0.000000 0.000000 0.007547 0.00000 ATOM 1 N ARG A 103 -15.554 8.612 61.419 1.00 74.02 ZIFA N ATOM 2 CA ARG A 103 -14.167 8.378 61.816 1.00 74.05 ZIFA C ATOM 3 C ARG A 103 -14.119 7.445 63.029 1.00 73.02 ZIFA C ATOM 4 O ARG A 103 -13.925 7.891 64.163 1.00 73.19 ZIFA O ATOM 5 CB ARG A 103 -13.484 9.707 62.141 1.00 74.76 ZIFA C ATOM 6 CG ARG A 103 -13.392 10.672 60.978 1.00 74.88 ZIFA C ATOM 7 CD ARG A 103 -12.011 10.651 60.373 1.00 74.15 ZIFA C ATOM 8 NE ARG A 103 -11.818 11.781 59.475 1.00 76.57 ZIFA N ATOM 9 CZ ARG A 103 -10.680 12.043 58.842 1.00 79.12 ZIFA C ATOM 10 NH1 ARG A 103 -9.627 11.254 59.008 1.00 79.58 ZIFA N ATOM 11 NH2 ARG A 103 -10.595 13.094 58.032 1.00 82.90 ZIFA N ATOM 12 N PRO A 104 -14.316 6.133 62.802 1.00 71.37 ZIFA N ATOM 13 CA PRO A 104 -14.311 5.093 63.841 1.00 69.71 ZIFA C ATOM 14 C PRO A 104 -12.958 4.507 64.273 1.00 67.79 ZIFA C ATOM 15 O PRO A 104 -12.788 4.123 65.436 1.00 67.25 ZIFA O ATOM 16 CB PRO A 104 -15.201 4.016 63.226 1.00 69.93 ZIFA C ATOM 17 CG PRO A 104 -14.833 4.096 61.777 1.00 69.25 ZIFA C ATOM 18 CD PRO A 104 -14.783 5.584 61.512 1.00 68.97 ZIFA C ATOM 19 N TYR A 105 -12.004 4.435 63.348 1.00 64.76 ZIFA N ATOM 20 CA TYR A 105 -10.698 3.852 63.651 1.00 61.67 ZIFA C ATOM 21 C TYR A 105 -9.620 4.816 64.163 1.00 58.34 ZIFA C ATOM 22 O TYR A 105 -8.940 5.488 63.381 1.00 56.64 ZIFA O ATOM 23 CB TYR A 105 -10.172 3.074 62.439 1.00 62.36 ZIFA C ATOM 24 CG TYR A 105 -11.107 2.002 61.906 1.00 62.08 ZIFA C ATOM 25 CD1 TYR A 105 -11.065 0.695 62.395 1.00 61.09 ZIFA C ATOM 26 CD2 TYR A 105 -11.983 2.281 60.856 1.00 62.34 ZIFA C ATOM 27 CE1 TYR A 105 -11.869 -0.308 61.841 1.00 62.37 ZIFA C ATOM 28 CE2 TYR A 105 -12.790 1.291 60.300 1.00 62.20 ZIFA C ATOM 29 CZ TYR A 105 -12.726 -0.001 60.788 1.00 62.55 ZIFA C ATOM 30 OH TYR A 105 -13.496 -0.980 60.195 1.00 61.23 ZIFA O ATOM 31 N ALA A 106 -9.434 4.827 65.481 1.00 54.12 ZIFA N ATOM 32 CA ALA A 106 -8.441 5.683 66.122 1.00 51.21 ZIFA C ATOM 33 C ALA A 106 -7.106 4.964 66.296 1.00 48.38 ZIFA C ATOM 34 O ALA A 106 -7.069 3.745 66.440 1.00 48.74 ZIFA O ATOM 35 CB ALA A 106 -8.953 6.148 67.475 1.00 49.34 ZIFA C ATOM 36 N CYS A 107 -6.015 5.727 66.287 1.00 45.84 ZIFA N ATOM 37 CA CYS A 107 -4.686 5.161 66.469 1.00 43.90 ZIFA C ATOM 38 C CYS A 107 -4.493 4.756 67.933 1.00 46.03 ZIFA C ATOM 39 O CYS A 107 -4.561 5.595 68.843 1.00 48.35 ZIFA O ATOM 40 CB CYS A 107 -3.602 6.148 66.046 1.00 39.19 ZIFA C ATOM 41 SG CYS A 107 -1.947 5.458 66.207 1.00 33.49 ZIFA S ATOM 42 N PRO A 108 -4.232 3.459 68.171 1.00 45.33 ZIFA N ATOM 43 CA PRO A 108 -4.022 2.863 69.500 1.00 43.81 ZIFA C ATOM 44 C PRO A 108 -2.892 3.470 70.322 1.00 42.31 ZIFA C ATOM 45 O PRO A 108 -2.949 3.468 71.553 1.00 41.04 ZIFA O ATOM 46 CB PRO A 108 -3.758 1.382 69.219 1.00 44.11 ZIFA C ATOM 47 CG PRO A 108 -3.802 1.206 67.759 1.00 46.00 ZIFA C ATOM 48 CD PRO A 108 -4.048 2.497 67.072 1.00 45.92 ZIFA C ATOM 49 N VAL A 109 -1.860 3.968 69.650 1.00 41.97 ZIFA N ATOM 50 CA VAL A 109 -0.737 4.580 70.350 1.00 43.05 ZIFA C ATOM 51 C VAL A 109 -1.270 5.760 71.144 1.00 45.39 ZIFA C ATOM 52 O VAL A 109 -2.009 6.593 70.625 1.00 45.12 ZIFA O ATOM 53 CB VAL A 109 0.378 5.017 69.383 1.00 41.08 ZIFA C ATOM 54 CG1 VAL A 109 1.422 5.823 70.115 1.00 40.47 ZIFA C ATOM 55 CG2 VAL A 109 1.025 3.788 68.762 1.00 36.71 ZIFA C ATOM 56 N GLU A 110 -0.972 5.751 72.437 1.00 49.67 ZIFA N ATOM 57 CA GLU A 110 -1.433 6.780 73.354 1.00 53.22 ZIFA C ATOM 58 C GLU A 110 -1.045 8.196 72.930 1.00 53.64 ZIFA C ATOM 59 O GLU A 110 -1.907 9.076 72.863 1.00 53.48 ZIFA O ATOM 60 CB GLU A 110 -0.955 6.452 74.779 1.00 56.18 ZIFA C ATOM 61 CG GLU A 110 -1.569 7.296 75.893 1.00 62.05 ZIFA C ATOM 62 CD GLU A 110 -0.871 8.637 76.075 1.00 67.86 ZIFA C ATOM 63 OE1 GLU A 110 0.381 8.688 75.960 1.00 70.08 ZIFA O ATOM 64 OE2 GLU A 110 -1.579 9.638 76.335 1.00 70.30 ZIFA O ATOM 65 N SER A 111 0.233 8.411 72.615 1.00 53.87 ZIFA N ATOM 66 CA SER A 111 0.693 9.737 72.201 1.00 54.07 ZIFA C ATOM 67 C SER A 111 0.063 10.173 70.887 1.00 53.54 ZIFA C ATOM 68 O SER A 111 -0.083 11.369 70.625 1.00 53.86 ZIFA O ATOM 69 CB SER A 111 2.217 9.780 72.084 1.00 54.26 ZIFA C ATOM 70 OG SER A 111 2.687 8.859 71.116 1.00 58.76 ZIFA O ATOM 71 N CYS A 112 -0.310 9.203 70.062 1.00 52.73 ZIFA N ATOM 72 CA CYS A 112 -0.929 9.521 68.788 1.00 51.62 ZIFA C ATOM 73 C CYS A 112 -2.449 9.630 68.888 1.00 52.52 ZIFA C ATOM 74 O CYS A 112 -3.124 8.743 69.425 1.00 52.01 ZIFA O ATOM 75 CB CYS A 112 -0.543 8.504 67.729 1.00 50.01 ZIFA C ATOM 76 SG CYS A 112 -1.134 8.983 66.124 1.00 43.85 ZIFA S ATOM 77 N ASP A 113 -2.976 10.732 68.368 1.00 53.27 ZIFA N ATOM 78 CA ASP A 113 -4.407 10.984 68.400 1.00 55.72 ZIFA C ATOM 79 C ASP A 113 -5.030 11.068 67.006 1.00 54.31 ZIFA C ATOM 80 O ASP A 113 -6.048 11.733 66.808 1.00 53.98 ZIFA O ATOM 81 CB ASP A 113 -4.694 12.255 69.209 1.00 60.87 ZIFA C ATOM 82 CG ASP A 113 -4.337 12.104 70.693 1.00 66.20 ZIFA C ATOM 83 OD1 ASP A 113 -4.871 11.177 71.353 1.00 68.01 ZIFA O ATOM 84 OD2 ASP A 113 -3.528 12.918 71.198 1.00 68.09 ZIFA O ATOM 85 N ARG A 114 -4.412 10.390 66.044 1.00 52.13 ZIFA N ATOM 86 CA ARG A 114 -4.916 10.365 64.675 1.00 51.74 ZIFA C ATOM 87 C ARG A 114 -6.127 9.431 64.572 1.00 49.81 ZIFA C ATOM 88 O ARG A 114 -6.244 8.462 65.322 1.00 47.41 ZIFA O ATOM 89 CB ARG A 114 -3.824 9.896 63.695 1.00 53.16 ZIFA C ATOM 90 CG ARG A 114 -2.694 10.889 63.403 1.00 54.89 ZIFA C ATOM 91 CD ARG A 114 -3.163 12.086 62.595 1.00 58.46 ZIFA C ATOM 92 NE ARG A 114 -3.946 13.015 63.408 1.00 67.66 ZIFA N ATOM 93 CZ ARG A 114 -5.034 13.656 62.983 1.00 71.74 ZIFA C ATOM 94 NH1 ARG A 114 -5.477 13.470 61.745 1.00 74.33 ZIFA N ATOM 95 NH2 ARG A 114 -5.684 14.483 63.798 1.00 71.15 ZIFA N ATOM 96 N ARG A 115 -7.029 9.745 63.646 1.00 49.64 ZIFA N ATOM 97 CA ARG A 115 -8.228 8.943 63.417 1.00 49.13 ZIFA C ATOM 98 C ARG A 115 -8.425 8.755 61.912 1.00 49.62 ZIFA C ATOM 99 O ARG A 115 -8.117 9.651 61.120 1.00 49.21 ZIFA O ATOM 100 CB ARG A 115 -9.449 9.621 64.035 1.00 49.41 ZIFA C ATOM 101 CG ARG A 115 -9.281 9.971 65.507 1.00 48.32 ZIFA C ATOM 102 CD ARG A 115 -10.575 10.498 66.093 1.00 48.42 ZIFA C ATOM 103 NE ARG A 115 -11.592 9.452 66.142 1.00 48.13 ZIFA N ATOM 104 CZ ARG A 115 -11.669 8.541 67.105 1.00 48.89 ZIFA C ATOM 105 NH1 ARG A 115 -10.794 8.560 68.103 1.00 49.14 ZIFA N ATOM 106 NH2 ARG A 115 -12.589 7.584 67.049 1.00 47.52 ZIFA N ATOM 107 N PHE A 116 -8.943 7.592 61.520 1.00 50.04 ZIFA N ATOM 108 CA PHE A 116 -9.144 7.278 60.107 1.00 50.56 ZIFA C ATOM 109 C PHE A 116 -10.532 6.719 59.766 1.00 51.88 ZIFA C ATOM 110 O PHE A 116 -11.241 6.207 60.642 1.00 52.19 ZIFA O ATOM 111 CB PHE A 116 -8.057 6.299 59.641 1.00 49.08 ZIFA C ATOM 112 CG PHE A 116 -6.655 6.846 59.756 1.00 47.53 ZIFA C ATOM 113 CD1 PHE A 116 -5.961 6.778 60.961 1.00 45.47 ZIFA C ATOM 114 CD2 PHE A 116 -6.034 7.445 58.665 1.00 46.33 ZIFA C ATOM 115 CE1 PHE A 116 -4.671 7.302 61.075 1.00 44.89 ZIFA C ATOM 116 CE2 PHE A 116 -4.744 7.970 58.775 1.00 47.32 ZIFA C ATOM 117 CZ PHE A 116 -4.065 7.898 59.982 1.00 43.43 ZIFA C ATOM 118 N SER A 117 -10.905 6.827 58.488 1.00 51.33 ZIFA N ATOM 119 CA SER A 117 -12.195 6.338 57.990 1.00 51.69 ZIFA C ATOM 120 C SER A 117 -12.179 4.812 57.846 1.00 52.32 ZIFA C ATOM 121 O SER A 117 -12.862 4.104 58.588 1.00 51.67 ZIFA O ATOM 122 CB SER A 117 -12.510 6.957 56.626 1.00 51.28 ZIFA C ATOM 123 OG SER A 117 -12.339 8.360 56.622 1.00 52.83 ZIFA O ATOM 124 N ARG A 118 -11.431 4.323 56.852 1.00 53.05 ZIFA N ATOM 125 CA ARG A 118 -11.291 2.887 56.590 1.00 51.05 ZIFA C ATOM 126 C ARG A 118 -10.095 2.305 57.376 1.00 52.38 ZIFA C ATOM 127 O ARG A 118 -9.055 2.961 57.520 1.00 53.49 ZIFA O ATOM 128 CB AARG A 118 -11.109 2.611 55.088 0.50 49.19 ZIFA C ATOM 129 CB BARG A 118 -11.159 2.636 55.077 0.50 49.26 ZIFA C ATOM 130 CG AARG A 118 -12.374 2.713 54.226 0.50 47.01 ZIFA C ATOM 131 CG BARG A 118 -10.160 3.543 54.352 0.50 46.95 ZIFA C ATOM 132 CD AARG A 118 -12.746 4.148 53.889 0.50 43.76 ZIFA C ATOM 133 CD BARG A 118 -10.186 3.378 52.822 0.50 44.22 ZIFA C ATOM 134 NE AARG A 118 -11.633 4.874 53.279 0.50 40.85 ZIFA N ATOM 135 NE BARG A 118 -8.856 3.159 52.236 0.50 40.55 ZIFA N ATOM 136 CZ AARG A 118 -11.577 6.198 53.159 0.50 39.62 ZIFA C ATOM 137 CZ BARG A 118 -8.637 2.954 50.939 0.50 37.98 ZIFA C ATOM 138 NH1AARG A 118 -12.578 6.953 53.593 0.50 41.48 ZIFA N ATOM 139 NH1BARG A 118 -9.651 2.947 50.089 0.50 36.08 ZIFA N ATOM 140 NH2AARG A 118 -10.492 6.773 52.662 0.50 36.85 ZIFA N ATOM 141 NH2BARG A 118 -7.411 2.721 50.495 0.50 36.29 ZIFA N ATOM 142 N SER A 119 -10.260 1.088 57.901 1.00 51.28 ZIFA N ATOM 143 CA SER A 119 -9.213 0.435 58.693 1.00 51.05 ZIFA C ATOM 144 C SER A 119 -7.878 0.230 57.984 1.00 49.35 ZIFA C ATOM 145 O SER A 119 -6.831 0.266 58.630 1.00 48.04 ZIFA O ATOM 146 CB SER A 119 -9.707 -0.897 59.261 1.00 53.31 ZIFA C ATOM 147 OG SER A 119 -10.090 -1.783 58.228 1.00 60.98 ZIFA O ATOM 148 N ASP A 120 -7.909 0.011 56.670 1.00 47.78 ZIFA N ATOM 149 CA ASP A 120 -6.670 -0.184 55.915 1.00 47.87 ZIFA C ATOM 150 C ASP A 120 -5.784 1.050 56.045 1.00 48.31 ZIFA C ATOM 151 O ASP A 120 -4.564 0.967 55.884 1.00 48.68 ZIFA O ATOM 152 CB ASP A 120 -6.937 -0.478 54.430 1.00 48.35 ZIFA C ATOM 153 CG ASP A 120 -7.477 0.727 53.671 1.00 47.76 ZIFA C ATOM 154 OD1 ASP A 120 -8.623 1.100 53.939 1.00 49.36 ZIFA O ATOM 155 OD2 ASP A 120 -6.775 1.282 52.800 1.00 46.41 ZIFA O ATOM 156 N GLU A 121 -6.408 2.192 56.328 1.00 47.11 ZIFA N ATOM 157 CA GLU A 121 -5.683 3.445 56.494 1.00 47.39 ZIFA C ATOM 158 C GLU A 121 -4.934 3.447 57.816 1.00 44.45 ZIFA C ATOM 159 O GLU A 121 -3.845 4.015 57.921 1.00 43.59 ZIFA O ATOM 160 CB GLU A 121 -6.641 4.636 56.442 1.00 50.76 ZIFA C ATOM 161 CG GLU A 121 -7.301 4.821 55.096 1.00 53.50 ZIFA C ATOM 162 CD GLU A 121 -8.172 6.057 55.027 1.00 56.33 ZIFA C ATOM 163 OE1 GLU A 121 -9.114 6.189 55.845 1.00 54.79 ZIFA O ATOM 164 OE2 GLU A 121 -7.916 6.893 54.134 1.00 60.08 ZIFA O ATOM 165 N LEU A 122 -5.539 2.830 58.827 1.00 41.15 ZIFA N ATOM 166 CA LEU A 122 -4.921 2.739 60.142 1.00 39.77 ZIFA C ATOM 167 C LEU A 122 -3.738 1.771 60.080 1.00 38.54 ZIFA C ATOM 168 O LEU A 122 -2.705 2.009 60.698 1.00 38.71 ZIFA O ATOM 169 CB LEU A 122 -5.944 2.280 61.188 1.00 38.91 ZIFA C ATOM 170 CG LEU A 122 -5.453 2.148 62.635 1.00 38.50 ZIFA C ATOM 171 CD1 LEU A 122 -5.096 3.507 63.218 1.00 37.29 ZIFA C ATOM 172 CD2 LEU A 122 -6.520 1.480 63.471 1.00 35.92 ZIFA C ATOM 173 N THR A 123 -3.884 0.698 59.308 1.00 36.79 ZIFA N ATOM 174 CA THR A 123 -2.822 -0.285 59.161 1.00 36.06 ZIFA C ATOM 175 C THR A 123 -1.598 0.345 58.513 1.00 35.94 ZIFA C ATOM 176 O THR A 123 -0.475 0.096 58.938 1.00 36.13 ZIFA O ATOM 177 CB THR A 123 -3.296 -1.491 58.340 1.00 38.67 ZIFA C ATOM 178 OG1 THR A 123 -4.372 -2.138 59.036 1.00 43.34 ZIFA O ATOM 179 CG2 THR A 123 -2.167 -2.490 58.130 1.00 39.18 ZIFA C ATOM 180 N ARG A 124 -1.811 1.168 57.490 1.00 36.14 ZIFA N ATOM 181 CA ARG A 124 -0.696 1.842 56.818 1.00 35.36 ZIFA C ATOM 182 C ARG A 124 -0.078 2.856 57.785 1.00 34.21 ZIFA C ATOM 183 O ARG A 124 1.135 2.871 58.003 1.00 35.10 ZIFA O ATOM 184 CB ARG A 124 -1.167 2.558 55.536 1.00 33.58 ZIFA C ATOM 185 CG ARG A 124 -0.040 3.252 54.757 1.00 30.95 ZIFA C ATOM 186 CD ARG A 124 -0.519 3.866 53.443 1.00 32.33 ZIFA C ATOM 187 NE ARG A 124 -1.449 4.972 53.651 1.00 32.46 ZIFA N ATOM 188 CZ ARG A 124 -1.897 5.777 52.689 1.00 30.67 ZIFA C ATOM 189 NH1 ARG A 124 -1.509 5.615 51.431 1.00 26.55 ZIFA N ATOM 190 NH2 ARG A 124 -2.729 6.762 52.990 1.00 31.94 ZIFA N ATOM 191 N HIS A 125 -0.934 3.683 58.375 1.00 32.97 ZIFA N ATOM 192 CA HIS A 125 -0.507 4.701 59.317 1.00 33.19 ZIFA C ATOM 193 C HIS A 125 0.283 4.138 60.491 1.00 33.70 ZIFA C ATOM 194 O HIS A 125 1.246 4.755 60.946 1.00 32.91 ZIFA O ATOM 195 CB HIS A 125 -1.726 5.455 59.850 1.00 34.01 ZIFA C ATOM 196 CG HIS A 125 -1.455 6.235 61.100 1.00 35.64 ZIFA C ATOM 197 ND1 HIS A 125 -0.896 7.494 61.089 1.00 35.18 ZIFA N ATOM 198 CD2 HIS A 125 -1.641 5.920 62.404 1.00 34.58 ZIFA C ATOM 199 CE1 HIS A 125 -0.747 7.920 62.330 1.00 33.96 ZIFA C ATOM 200 NE2 HIS A 125 -1.192 6.984 63.146 1.00 35.46 ZIFA N ATOM 201 N ILE A 126 -0.141 2.978 60.986 1.00 34.90 ZIFA N ATOM 202 CA ILE A 126 0.497 2.343 62.131 1.00 35.92 ZIFA C ATOM 203 C ILE A 126 1.991 2.095 61.920 1.00 37.04 ZIFA C ATOM 204 O ILE A 126 2.757 2.012 62.879 1.00 39.47 ZIFA O ATOM 205 CB ILE A 126 -0.241 1.036 62.527 1.00 36.07 ZIFA C ATOM 206 CG1 ILE A 126 -0.116 0.809 64.028 1.00 40.69 ZIFA C ATOM 207 CG2 ILE A 126 0.343 -0.168 61.813 1.00 38.49 ZIFA C ATOM 208 CD1 ILE A 126 -0.787 1.875 64.867 1.00 42.50 ZIFA C ATOM 209 N ARG A 127 2.415 2.048 60.661 1.00 35.95 ZIFA N ATOM 210 CA ARG A 127 3.815 1.815 60.354 1.00 35.67 ZIFA C ATOM 211 C ARG A 127 4.717 2.978 60.752 1.00 34.96 ZIFA C ATOM 212 O ARG A 127 5.925 2.797 60.892 1.00 34.32 ZIFA O ATOM 213 CB ARG A 127 4.000 1.462 58.875 1.00 35.97 ZIFA C ATOM 214 CG ARG A 127 3.231 0.223 58.457 1.00 37.05 ZIFA C ATOM 215 CD ARG A 127 3.818 -0.438 57.221 1.00 40.58 ZIFA C ATOM 216 NE ARG A 127 3.622 0.345 56.007 1.00 43.49 ZIFA N ATOM 217 CZ ARG A 127 2.776 0.019 55.033 1.00 43.45 ZIFA C ATOM 218 NH1 ARG A 127 2.031 -1.076 55.138 1.00 42.49 ZIFA N ATOM 219 NH2 ARG A 127 2.669 0.796 53.957 1.00 40.39 ZIFA N ATOM 220 N ILE A 128 4.142 4.166 60.946 1.00 34.63 ZIFA N ATOM 221 CA ILE A 128 4.954 5.314 61.339 1.00 34.01 ZIFA C ATOM 222 C ILE A 128 5.410 5.105 62.779 1.00 34.03 ZIFA C ATOM 223 O ILE A 128 6.452 5.615 63.187 1.00 34.28 ZIFA O ATOM 224 CB ILE A 128 4.199 6.683 61.209 1.00 35.16 ZIFA C ATOM 225 CG1 ILE A 128 3.359 6.977 62.450 1.00 35.70 ZIFA C ATOM 226 CG2 ILE A 128 3.291 6.693 59.981 1.00 34.22 ZIFA C ATOM 227 CD1 ILE A 128 2.787 8.388 62.477 1.00 37.06 ZIFA C ATOM 228 N HIS A 129 4.641 4.308 63.521 1.00 32.27 ZIFA N ATOM 229 CA HIS A 129 4.927 4.012 64.919 1.00 30.27 ZIFA C ATOM 230 C HIS A 129 5.782 2.777 65.098 1.00 30.67 ZIFA C ATOM 231 O HIS A 129 6.573 2.713 66.029 1.00 32.14 ZIFA O ATOM 232 CB HIS A 129 3.634 3.841 65.702 1.00 30.37 ZIFA C ATOM 233 CG HIS A 129 2.770 5.062 65.718 1.00 29.19 ZIFA C ATOM 234 ND1 HIS A 129 3.270 6.321 65.966 1.00 30.01 ZIFA N ATOM 235 CD2 HIS A 129 1.439 5.214 65.524 1.00 30.19 ZIFA C ATOM 236 CE1 HIS A 129 2.283 7.199 65.926 1.00 32.38 ZIFA C ATOM 237 NE2 HIS A 129 1.162 6.553 65.659 1.00 33.48 ZIFA N ATOM 238 N THR A 130 5.606 1.787 64.227 1.00 32.41 ZIFA N ATOM 239 CA THR A 130 6.396 0.555 64.303 1.00 32.42 ZIFA C ATOM 240 C THR A 130 7.734 0.711 63.556 1.00 34.83 ZIFA C ATOM 241 O THR A 130 8.658 -0.084 63.742 1.00 34.61 ZIFA O ATOM 242 CB THR A 130 5.633 -0.654 63.709 1.00 30.59 ZIFA C ATOM 243 OG1 THR A 130 5.650 -0.591 62.277 1.00 27.89 ZIFA O ATOM 244 CG2 THR A 130 4.194 -0.654 64.179 1.00 29.45 ZIFA C ATOM 245 N GLY A 131 7.813 1.728 62.697 1.00 35.75 ZIFA N ATOM 246 CA GLY A 131 9.013 1.983 61.919 1.00 36.13 ZIFA C ATOM 247 C GLY A 131 9.248 1.002 60.778 1.00 37.14 ZIFA C ATOM 248 O GLY A 131 10.334 0.978 60.188 1.00 36.74 ZIFA O ATOM 249 N GLN A 132 8.231 0.216 60.438 1.00 35.57 ZIFA N ATOM 250 CA GLN A 132 8.372 -0.765 59.380 1.00 36.90 ZIFA C ATOM 251 C GLN A 132 8.473 -0.158 57.973 1.00 35.80 ZIFA C ATOM 252 O GLN A 132 7.641 0.652 57.567 1.00 33.11 ZIFA O ATOM 253 CB GLN A 132 7.235 -1.781 59.441 1.00 41.51 ZIFA C ATOM 254 CG GLN A 132 7.487 -3.001 58.566 1.00 52.95 ZIFA C ATOM 255 CD GLN A 132 6.250 -3.863 58.353 1.00 59.23 ZIFA C ATOM 256 OE1 GLN A 132 5.292 -3.454 57.684 1.00 61.08 ZIFA O ATOM 257 NE2 GLN A 132 6.277 -5.075 58.899 1.00 62.78 ZIFA N ATOM 258 N LYS A 133 9.519 -0.562 57.252 1.00 34.59 ZIFA N ATOM 259 CA LYS A 133 9.791 -0.123 55.884 1.00 32.99 ZIFA C ATOM 260 C LYS A 133 10.107 -1.355 55.044 1.00 32.23 ZIFA C ATOM 261 O LYS A 133 11.269 -1.658 54.780 1.00 32.51 ZIFA O ATOM 262 CB LYS A 133 10.980 0.829 55.855 1.00 30.53 ZIFA C ATOM 263 CG LYS A 133 10.763 2.098 56.635 1.00 32.85 ZIFA C ATOM 264 CD LYS A 133 11.894 3.065 56.397 1.00 39.02 ZIFA C ATOM 265 CE LYS A 133 11.871 4.205 57.394 1.00 43.02 ZIFA C ATOM 266 NZ LYS A 133 10.522 4.829 57.465 1.00 48.47 ZIFA N ATOM 267 N PRO A 134 9.065 -2.056 54.575 1.00 32.94 ZIFA N ATOM 268 CA PRO A 134 9.133 -3.277 53.759 1.00 34.12 ZIFA C ATOM 269 C PRO A 134 9.546 -3.133 52.294 1.00 34.36 ZIFA C ATOM 270 O PRO A 134 9.600 -4.132 51.581 1.00 35.50 ZIFA O ATOM 271 CB PRO A 134 7.702 -3.828 53.837 1.00 35.89 ZIFA C ATOM 272 CG PRO A 134 7.012 -2.994 54.912 1.00 36.72 ZIFA C ATOM 273 CD PRO A 134 7.666 -1.664 54.793 1.00 34.31 ZIFA C ATOM 274 N PHE A 135 9.819 -1.916 51.831 1.00 34.47 ZIFA N ATOM 275 CA PHE A 135 10.192 -1.713 50.425 1.00 34.59 ZIFA C ATOM 276 C PHE A 135 11.582 -1.128 50.262 1.00 34.36 ZIFA C ATOM 277 O PHE A 135 11.837 0.031 50.595 1.00 36.42 ZIFA O ATOM 278 CB PHE A 135 9.143 -0.849 49.718 1.00 34.00 ZIFA C ATOM 279 CG PHE A 135 7.740 -1.366 49.883 1.00 31.30 ZIFA C ATOM 280 CD1 PHE A 135 7.229 -2.318 49.009 1.00 30.60 ZIFA C ATOM 281 CD2 PHE A 135 6.955 -0.947 50.954 1.00 30.58 ZIFA C ATOM 282 CE1 PHE A 135 5.961 -2.847 49.204 1.00 28.60 ZIFA C ATOM 283 CE2 PHE A 135 5.686 -1.471 51.157 1.00 26.91 ZIFA C ATOM 284 CZ PHE A 135 5.190 -2.419 50.287 1.00 26.71 ZIFA C ATOM 285 N GLN A 136 12.470 -1.944 49.714 1.00 32.79 ZIFA N ATOM 286 CA GLN A 136 13.852 -1.564 49.522 1.00 32.39 ZIFA C ATOM 287 C GLN A 136 14.277 -1.255 48.083 1.00 32.63 ZIFA C ATOM 288 O GLN A 136 13.915 -1.961 47.135 1.00 31.93 ZIFA O ATOM 289 CB GLN A 136 14.734 -2.666 50.090 1.00 33.21 ZIFA C ATOM 290 CG GLN A 136 16.205 -2.380 50.011 1.00 36.35 ZIFA C ATOM 291 CD GLN A 136 17.022 -3.482 50.621 1.00 36.50 ZIFA C ATOM 292 OE1 GLN A 136 16.730 -4.661 50.434 1.00 39.38 ZIFA O ATOM 293 NE2 GLN A 136 18.040 -3.109 51.377 1.00 37.49 ZIFA N ATOM 294 N CYS A 137 15.072 -0.197 47.952 1.00 31.55 ZIFA N ATOM 295 CA CYS A 137 15.619 0.247 46.677 1.00 32.21 ZIFA C ATOM 296 C CYS A 137 16.861 -0.598 46.385 1.00 35.52 ZIFA C ATOM 297 O CYS A 137 17.882 -0.492 47.069 1.00 35.39 ZIFA O ATOM 298 CB CYS A 137 15.999 1.729 46.768 1.00 30.10 ZIFA C ATOM 299 SG CYS A 137 16.990 2.340 45.397 1.00 25.44 ZIFA S ATOM 300 N ARG A 138 16.764 -1.453 45.376 1.00 36.83 ZIFA N ATOM 301 CA ARG A 138 17.869 -2.331 45.006 1.00 37.15 ZIFA C ATOM 302 C ARG A 138 19.090 -1.593 44.475 1.00 35.41 ZIFA C ATOM 303 O ARG A 138 20.125 -2.201 44.219 1.00 36.40 ZIFA O ATOM 304 CB ARG A 138 17.385 -3.341 43.973 1.00 41.63 ZIFA C ATOM 305 CG ARG A 138 16.613 -2.697 42.828 1.00 44.06 ZIFA C ATOM 306 CD ARG A 138 15.790 -3.717 42.077 1.00 43.31 ZIFA C ATOM 307 NE ARG A 138 16.627 -4.662 41.347 1.00 44.22 ZIFA N ATOM 308 CZ ARG A 138 16.175 -5.794 40.821 1.00 43.49 ZIFA C ATOM 309 NH1 ARG A 138 14.897 -6.122 40.954 1.00 44.42 ZIFA N ATOM 310 NH2 ARG A 138 16.993 -6.585 40.141 1.00 43.93 ZIFA N ATOM 311 N ILE A 139 18.982 -0.280 44.325 1.00 32.94 ZIFA N ATOM 312 CA ILE A 139 20.100 0.480 43.809 1.00 29.70 ZIFA C ATOM 313 C ILE A 139 20.962 1.034 44.922 1.00 31.38 ZIFA C ATOM 314 O ILE A 139 22.177 0.843 44.915 1.00 32.26 ZIFA O ATOM 315 CB ILE A 139 19.623 1.595 42.864 1.00 28.08 ZIFA C ATOM 316 CG1 ILE A 139 18.936 0.959 41.651 1.00 22.62 ZIFA C ATOM 317 CG2 ILE A 139 20.798 2.480 42.438 1.00 25.29 ZIFA C ATOM 318 CD1 ILE A 139 18.337 1.937 40.705 1.00 24.99 ZIFA C ATOM 319 N CYS A 140 20.338 1.687 45.898 1.00 30.33 ZIFA N ATOM 320 CA CYS A 140 21.091 2.265 47.007 1.00 28.45 ZIFA C ATOM 321 C CYS A 140 20.833 1.546 48.322 1.00 30.06 ZIFA C ATOM 322 O CYS A 140 21.349 1.952 49.364 1.00 29.67 ZIFA O ATOM 323 CB CYS A 140 20.747 3.739 47.168 1.00 27.42 ZIFA C ATOM 324 SG CYS A 140 19.070 4.013 47.773 1.00 25.02 ZIFA S ATOM 325 N MET A 141 20.011 0.502 48.274 1.00 32.54 ZIFA N ATOM 326 CA MET A 141 19.674 -0.294 49.455 1.00 36.43 ZIFA C ATOM 327 C MET A 141 18.857 0.421 50.547 1.00 34.51 ZIFA C ATOM 328 O MET A 141 18.658 -0.131 51.623 1.00 34.58 ZIFA O ATOM 329 CB MET A 141 20.946 -0.919 50.060 1.00 39.35 ZIFA C ATOM 330 CG MET A 141 21.259 -2.343 49.589 1.00 45.14 ZIFA C ATOM 331 SD MET A 141 21.154 -2.658 47.797 1.00 53.33 ZIFA S ATOM 332 CE MET A 141 19.869 -3.941 47.771 1.00 49.47 ZIFA C ATOM 333 N ARG A 142 18.373 1.629 50.275 1.00 32.33 ZIFA N ATOM 334 CA ARG A 142 17.581 2.347 51.265 1.00 29.17 ZIFA C ATOM 335 C ARG A 142 16.213 1.690 51.379 1.00 28.54 ZIFA C ATOM 336 O ARG A 142 15.745 1.050 50.436 1.00 28.99 ZIFA O ATOM 337 CB ARG A 142 17.442 3.829 50.898 1.00 27.30 ZIFA C ATOM 338 CG ARG A 142 16.680 4.662 51.934 1.00 25.94 ZIFA C ATOM 339 CD ARG A 142 16.649 6.160 51.573 1.00 27.15 ZIFA C ATOM 340 NE ARG A 142 15.819 6.926 52.507 1.00 28.02 ZIFA N ATOM 341 CZ ARG A 142 15.939 8.233 52.752 1.00 27.83 ZIFA C ATOM 342 NH1 ARG A 142 16.856 8.962 52.127 1.00 25.44 ZIFA N ATOM 343 NH2 ARG A 142 15.175 8.804 53.674 1.00 24.38 ZIFA N ATOM 344 N ASN A 143 15.595 1.825 52.549 1.00 26.37 ZIFA N ATOM 345 CA ASN A 143 14.280 1.249 52.805 1.00 24.07 ZIFA C ATOM 346 C ASN A 143 13.210 2.320 52.850 1.00 21.61 ZIFA C ATOM 347 O ASN A 143 13.477 3.438 53.268 1.00 23.07 ZIFA O ATOM 348 CB ASN A 143 14.293 0.485 54.125 1.00 26.17 ZIFA C ATOM 349 CG ASN A 143 15.210 -0.712 54.087 1.00 27.58 ZIFA C ATOM 350 OD1 ASN A 143 16.128 -0.833 54.899 1.00 31.02 ZIFA O ATOM 351 ND2 ASN A 143 14.982 -1.599 53.127 1.00 25.07 ZIFA N ATOM 352 N PHE A 144 11.999 1.965 52.422 1.00 22.05 ZIFA N ATOM 353 CA PHE A 144 10.861 2.887 52.400 1.00 22.43 ZIFA C ATOM 354 C PHE A 144 9.609 2.233 52.950 1.00 22.63 ZIFA C ATOM 355 O PHE A 144 9.426 1.021 52.828 1.00 23.08 ZIFA O ATOM 356 CB PHE A 144 10.596 3.381 50.975 1.00 23.44 ZIFA C ATOM 357 CG PHE A 144 11.735 4.152 50.396 1.00 23.52 ZIFA C ATOM 358 CD1 PHE A 144 11.829 5.526 50.599 1.00 20.56 ZIFA C ATOM 359 CD2 PHE A 144 12.758 3.491 49.716 1.00 23.81 ZIFA C ATOM 360 CE1 PHE A 144 12.921 6.232 50.148 1.00 20.20 ZIFA C ATOM 361 CE2 PHE A 144 13.858 4.185 49.257 1.00 23.38 ZIFA C ATOM 362 CZ PHE A 144 13.942 5.565 49.475 1.00 24.80 ZIFA C ATOM 363 N SER A 145 8.734 3.048 53.527 1.00 23.73 ZIFA N ATOM 364 CA SER A 145 7.507 2.550 54.116 1.00 24.97 ZIFA C ATOM 365 C SER A 145 6.456 2.209 53.089 1.00 26.03 ZIFA C ATOM 366 O SER A 145 5.586 1.376 53.340 1.00 28.95 ZIFA O ATOM 367 CB SER A 145 6.913 3.578 55.077 1.00 27.78 ZIFA C ATOM 368 OG SER A 145 6.608 4.791 54.408 1.00 27.20 ZIFA O ATOM 369 N ARG A 146 6.578 2.777 51.903 1.00 27.22 ZIFA N ATOM 370 CA ARG A 146 5.544 2.560 50.892 1.00 26.74 ZIFA C ATOM 371 C ARG A 146 6.114 2.306 49.510 1.00 25.50 ZIFA C ATOM 372 O ARG A 146 7.145 2.826 49.119 1.00 24.95 ZIFA O ATOM 373 CB ARG A 146 4.566 3.743 50.870 1.00 27.24 ZIFA C ATOM 374 CG ARG A 146 4.113 4.143 52.275 1.00 28.36 ZIFA C ATOM 375 CD ARG A 146 2.922 5.045 52.357 1.00 28.56 ZIFA C ATOM 376 NE ARG A 146 2.696 5.745 51.110 1.00 28.41 ZIFA N ATOM 377 CZ ARG A 146 1.901 6.804 50.984 1.00 26.61 ZIFA C ATOM 378 NH1 ARG A 146 1.263 7.297 52.031 1.00 23.34 ZIFA N ATOM 379 NH2 ARG A 146 1.722 7.356 49.800 1.00 26.40 ZIFA N ATOM 380 N SER A 147 5.430 1.464 48.738 1.00 26.56 ZIFA N ATOM 381 CA SER A 147 5.873 1.068 47.397 1.00 27.13 ZIFA C ATOM 382 C SER A 147 5.844 2.220 46.399 1.00 25.54 ZIFA C ATOM 383 O SER A 147 6.688 2.306 45.510 1.00 25.65 ZIFA O ATOM 384 CB SER A 147 4.984 -0.068 46.847 1.00 27.24 ZIFA C ATOM 385 OG SER A 147 3.614 0.315 46.862 1.00 26.72 ZIFA O ATOM 386 N ASP A 148 4.862 3.103 46.538 1.00 23.93 ZIFA N ATOM 387 CA ASP A 148 4.730 4.238 45.632 1.00 24.86 ZIFA C ATOM 388 C ASP A 148 5.828 5.258 45.858 1.00 22.79 ZIFA C ATOM 389 O ASP A 148 6.291 5.889 44.915 1.00 25.15 ZIFA O ATOM 390 CB ASP A 148 3.335 4.883 45.743 1.00 27.79 ZIFA C ATOM 391 CG ASP A 148 3.028 5.406 47.141 1.00 32.15 ZIFA C ATOM 392 OD1 ASP A 148 3.433 4.779 48.144 1.00 32.61 ZIFA O ATOM 393 OD2 ASP A 148 2.364 6.462 47.233 1.00 34.89 ZIFA O ATOM 394 N HIS A 149 6.265 5.408 47.101 1.00 21.29 ZIFA N ATOM 395 CA HIS A 149 7.334 6.354 47.397 1.00 21.49 ZIFA C ATOM 396 C HIS A 149 8.697 5.807 46.980 1.00 21.70 ZIFA C ATOM 397 O HIS A 149 9.648 6.565 46.811 1.00 22.78 ZIFA O ATOM 398 CB HIS A 149 7.314 6.735 48.869 1.00 23.15 ZIFA C ATOM 399 CG HIS A 149 6.135 7.573 49.254 1.00 24.74 ZIFA C ATOM 400 ND1 HIS A 149 5.408 8.298 48.334 1.00 24.35 ZIFA N ATOM 401 CD2 HIS A 149 5.566 7.816 50.459 1.00 24.29 ZIFA C ATOM 402 CE1 HIS A 149 4.443 8.951 48.953 1.00 24.50 ZIFA C ATOM 403 NE2 HIS A 149 4.517 8.675 50.244 1.00 25.86 ZIFA N ATOM 404 N LEU A 150 8.788 4.486 46.832 1.00 20.27 ZIFA N ATOM 405 CA LEU A 150 10.021 3.842 46.393 1.00 22.59 ZIFA C ATOM 406 C LEU A 150 10.151 4.018 44.878 1.00 21.66 ZIFA C ATOM 407 O LEU A 150 11.248 4.214 44.359 1.00 21.77 ZIFA O ATOM 408 CB LEU A 150 10.005 2.346 46.742 1.00 22.45 ZIFA C ATOM 409 CG LEU A 150 10.987 1.442 45.984 1.00 21.86 ZIFA C ATOM 410 CD1 LEU A 150 12.410 1.778 46.380 1.00 22.08 ZIFA C ATOM 411 CD2 LEU A 150 10.692 -0.016 46.281 1.00 20.43 ZIFA C ATOM 412 N THR A 151 9.025 3.913 44.176 1.00 22.20 ZIFA N ATOM 413 CA THR A 151 9.001 4.070 42.726 1.00 21.86 ZIFA C ATOM 414 C THR A 151 9.503 5.452 42.333 1.00 23.02 ZIFA C ATOM 415 O THR A 151 10.350 5.588 41.445 1.00 23.98 ZIFA O ATOM 416 CB THR A 151 7.583 3.878 42.166 1.00 20.87 ZIFA C ATOM 417 OG1 THR A 151 7.161 2.531 42.395 1.00 21.53 ZIFA O ATOM 418 CG2 THR A 151 7.567 4.142 40.680 1.00 19.58 ZIFA C ATOM 419 N THR A 152 8.993 6.478 43.005 1.00 21.96 ZIFA N ATOM 420 CA THR A 152 9.418 7.831 42.701 1.00 23.45 ZIFA C ATOM 421 C THR A 152 10.842 8.104 43.182 1.00 25.22 ZIFA C ATOM 422 O THR A 152 11.559 8.895 42.574 1.00 25.43 ZIFA O ATOM 423 CB THR A 152 8.439 8.873 43.248 1.00 21.62 ZIFA C ATOM 424 OG1 THR A 152 8.360 8.777 44.673 1.00 20.49 ZIFA O ATOM 425 CG2 THR A 152 7.070 8.643 42.648 1.00 22.42 ZIFA C ATOM 426 N HIS A 153 11.257 7.429 44.256 1.00 27.41 ZIFA N ATOM 427 CA HIS A 153 12.609 7.585 44.793 1.00 24.69 ZIFA C ATOM 428 C HIS A 153 13.626 7.111 43.766 1.00 24.87 ZIFA C ATOM 429 O HIS A 153 14.611 7.787 43.502 1.00 25.00 ZIFA O ATOM 430 CB HIS A 153 12.793 6.763 46.064 1.00 21.89 ZIFA C ATOM 431 CG HIS A 153 14.225 6.459 46.367 1.00 23.72 ZIFA C ATOM 432 ND1 HIS A 153 15.095 7.400 46.878 1.00 23.54 ZIFA N ATOM 433 CD2 HIS A 153 14.963 5.341 46.163 1.00 23.89 ZIFA C ATOM 434 CE1 HIS A 153 16.305 6.878 46.970 1.00 21.11 ZIFA C ATOM 435 NE2 HIS A 153 16.252 5.629 46.541 1.00 21.87 ZIFA N ATOM 436 N ILE A 154 13.374 5.935 43.201 1.00 24.65 ZIFA N ATOM 437 CA ILE A 154 14.249 5.336 42.205 1.00 23.21 ZIFA C ATOM 438 C ILE A 154 14.504 6.240 41.001 1.00 24.43 ZIFA C ATOM 439 O ILE A 154 15.570 6.172 40.383 1.00 21.84 ZIFA O ATOM 440 CB ILE A 154 13.681 3.996 41.742 1.00 22.67 ZIFA C ATOM 441 CG1 ILE A 154 13.727 3.002 42.900 1.00 22.28 ZIFA C ATOM 442 CG2 ILE A 154 14.459 3.468 40.544 1.00 21.90 ZIFA C ATOM 443 CD1 ILE A 154 12.934 1.752 42.646 1.00 23.79 ZIFA C ATOM 444 N ARG A 155 13.538 7.100 40.679 1.00 24.11 ZIFA N ATOM 445 CA ARG A 155 13.696 8.022 39.550 1.00 23.21 ZIFA C ATOM 446 C ARG A 155 14.834 9.015 39.792 1.00 22.73 ZIFA C ATOM 447 O ARG A 155 15.323 9.646 38.859 1.00 22.77 ZIFA O ATOM 448 CB ARG A 155 12.378 8.749 39.247 1.00 21.03 ZIFA C ATOM 449 CG ARG A 155 11.265 7.790 38.885 1.00 18.73 ZIFA C ATOM 450 CD ARG A 155 10.052 8.481 38.340 1.00 20.82 ZIFA C ATOM 451 NE ARG A 155 9.015 7.505 38.022 1.00 23.83 ZIFA N ATOM 452 CZ ARG A 155 7.711 7.697 38.202 1.00 23.50 ZIFA C ATOM 453 NH1 ARG A 155 7.256 8.841 38.692 1.00 21.30 ZIFA N ATOM 454 NH2 ARG A 155 6.864 6.712 37.940 1.00 24.25 ZIFA N ATOM 455 N THR A 156 15.269 9.123 41.046 1.00 24.63 ZIFA N ATOM 456 CA THR A 156 16.358 10.019 41.415 1.00 24.12 ZIFA C ATOM 457 C THR A 156 17.688 9.403 40.983 1.00 24.95 ZIFA C ATOM 458 O THR A 156 18.685 10.110 40.824 1.00 23.81 ZIFA O ATOM 459 CB THR A 156 16.373 10.340 42.946 1.00 23.20 ZIFA C ATOM 460 OG1 THR A 156 16.730 9.176 43.698 1.00 22.05 ZIFA O ATOM 461 CG2 THR A 156 15.002 10.837 43.405 1.00 22.16 ZIFA C ATOM 462 N HIS A 157 17.687 8.080 40.802 1.00 25.05 ZIFA N ATOM 463 CA HIS A 157 18.862 7.337 40.361 1.00 26.02 ZIFA C ATOM 464 C HIS A 157 18.907 7.302 38.823 1.00 27.60 ZIFA C ATOM 465 O HIS A 157 19.920 7.639 38.208 1.00 29.75 ZIFA O ATOM 466 CB HIS A 157 18.808 5.884 40.853 1.00 21.39 ZIFA C ATOM 467 CG HIS A 157 18.782 5.733 42.337 1.00 20.04 ZIFA C ATOM 468 ND1 HIS A 157 19.707 6.328 43.165 1.00 22.64 ZIFA N ATOM 469 CD2 HIS A 157 17.962 5.018 43.143 1.00 20.79 ZIFA C ATOM 470 CE1 HIS A 157 19.459 5.989 44.419 1.00 22.39 ZIFA C ATOM 471 NE2 HIS A 157 18.405 5.193 44.433 1.00 22.23 ZIFA N ATOM 472 N THR A 158 17.794 6.873 38.225 1.00 29.20 ZIFA N ATOM 473 CA THR A 158 17.655 6.718 36.774 1.00 29.50 ZIFA C ATOM 474 C THR A 158 17.457 7.993 35.963 1.00 28.45 ZIFA C ATOM 475 O THR A 158 17.747 8.012 34.767 1.00 27.22 ZIFA O ATOM 476 CB THR A 158 16.496 5.751 36.415 1.00 31.23 ZIFA C ATOM 477 OG1 THR A 158 15.250 6.333 36.811 1.00 30.96 ZIFA O ATOM 478 CG2 THR A 158 16.673 4.394 37.109 1.00 30.98 ZIFA C ATOM 479 N GLY A 159 16.936 9.038 36.598 1.00 26.41 ZIFA N ATOM 480 CA GLY A 159 16.717 10.287 35.892 1.00 25.81 ZIFA C ATOM 481 C GLY A 159 15.448 10.293 35.059 1.00 26.03 ZIFA C ATOM 482 O GLY A 159 15.212 11.213 34.273 1.00 24.54 ZIFA O ATOM 483 N GLU A 160 14.629 9.260 35.215 1.00 25.53 ZIFA N ATOM 484 CA GLU A 160 13.374 9.192 34.481 1.00 27.38 ZIFA C ATOM 485 C GLU A 160 12.475 10.346 34.932 1.00 27.78 ZIFA C ATOM 486 O GLU A 160 12.300 10.572 36.134 1.00 29.58 ZIFA O ATOM 487 CB GLU A 160 12.666 7.859 34.742 1.00 27.12 ZIFA C ATOM 488 CG GLU A 160 11.349 7.720 33.991 1.00 24.65 ZIFA C ATOM 489 CD GLU A 160 10.485 6.598 34.499 1.00 23.86 ZIFA C ATOM 490 OE1 GLU A 160 10.783 6.050 35.571 1.00 27.28 ZIFA O ATOM 491 OE2 GLU A 160 9.489 6.267 33.834 1.00 30.32 ZIFA O ATOM 492 N LYS A 161 11.928 11.084 33.969 1.00 25.63 ZIFA N ATOM 493 CA LYS A 161 11.054 12.209 34.265 1.00 24.00 ZIFA C ATOM 494 C LYS A 161 9.889 12.194 33.288 1.00 24.09 ZIFA C ATOM 495 O LYS A 161 9.951 12.839 32.239 1.00 24.03 ZIFA O ATOM 496 CB LYS A 161 11.828 13.517 34.132 1.00 24.01 ZIFA C ATOM 497 CG LYS A 161 12.981 13.660 35.104 1.00 23.69 ZIFA C ATOM 498 CD LYS A 161 13.738 14.942 34.842 1.00 29.45 ZIFA C ATOM 499 CE LYS A 161 14.846 15.164 35.860 1.00 30.93 ZIFA C ATOM 500 NZ LYS A 161 15.442 16.511 35.656 1.00 33.04 ZIFA N ATOM 501 N PRO A 162 8.804 11.455 33.628 1.00 25.05 ZIFA N ATOM 502 CA PRO A 162 7.581 11.304 32.812 1.00 22.21 ZIFA C ATOM 503 C PRO A 162 6.586 12.454 32.751 1.00 20.90 ZIFA C ATOM 504 O PRO A 162 5.643 12.391 31.969 1.00 21.24 ZIFA O ATOM 505 CB PRO A 162 6.880 10.072 33.403 1.00 22.10 ZIFA C ATOM 506 CG PRO A 162 7.723 9.612 34.562 1.00 23.53 ZIFA C ATOM 507 CD PRO A 162 8.726 10.683 34.882 1.00 22.39 ZIFA C ATOM 508 N PHE A 163 6.787 13.500 33.547 1.00 22.10 ZIFA N ATOM 509 CA PHE A 163 5.842 14.614 33.576 1.00 20.11 ZIFA C ATOM 510 C PHE A 163 6.363 15.919 33.018 1.00 21.24 ZIFA C ATOM 511 O PHE A 163 7.191 16.583 33.628 1.00 24.24 ZIFA O ATOM 512 CB PHE A 163 5.305 14.795 34.997 1.00 19.92 ZIFA C ATOM 513 CG PHE A 163 4.749 13.525 35.584 1.00 19.36 ZIFA C ATOM 514 CD1 PHE A 163 3.514 13.034 35.171 1.00 20.05 ZIFA C ATOM 515 CD2 PHE A 163 5.497 12.774 36.471 1.00 18.29 ZIFA C ATOM 516 CE1 PHE A 163 3.043 11.814 35.627 1.00 16.16 ZIFA C ATOM 517 CE2 PHE A 163 5.035 11.554 36.934 1.00 16.27 ZIFA C ATOM 518 CZ PHE A 163 3.809 11.073 36.510 1.00 18.11 ZIFA C ATOM 519 N ALA A 164 5.825 16.310 31.869 1.00 22.68 ZIFA N ATOM 520 CA ALA A 164 6.241 17.536 31.200 1.00 20.59 ZIFA C ATOM 521 C ALA A 164 5.252 18.693 31.357 1.00 21.20 ZIFA C ATOM 522 O ALA A 164 4.032 18.502 31.319 1.00 22.25 ZIFA O ATOM 523 CB ALA A 164 6.500 17.258 29.731 1.00 14.57 ZIFA C ATOM 524 N CYS A 165 5.804 19.883 31.580 1.00 19.54 ZIFA N ATOM 525 CA CYS A 165 5.032 21.104 31.732 1.00 19.85 ZIFA C ATOM 526 C CYS A 165 4.384 21.445 30.399 1.00 20.96 ZIFA C ATOM 527 O CYS A 165 5.046 21.429 29.368 1.00 21.34 ZIFA O ATOM 528 CB CYS A 165 5.947 22.251 32.149 1.00 18.91 ZIFA C ATOM 529 SG CYS A 165 5.148 23.859 32.178 1.00 21.74 ZIFA S ATOM 530 N ASP A 166 3.093 21.756 30.428 1.00 20.38 ZIFA N ATOM 531 CA ASP A 166 2.353 22.094 29.221 1.00 20.80 ZIFA C ATOM 532 C ASP A 166 2.771 23.405 28.571 1.00 21.74 ZIFA C ATOM 533 O ASP A 166 2.582 23.587 27.368 1.00 23.54 ZIFA O ATOM 534 CB ASP A 166 0.857 22.147 29.519 1.00 20.53 ZIFA C ATOM 535 CG ASP A 166 0.240 20.771 29.678 1.00 20.37 ZIFA C ATOM 536 OD1 ASP A 166 0.669 19.826 28.991 1.00 20.67 ZIFA O ATOM 537 OD2 ASP A 166 -0.704 20.638 30.476 1.00 21.19 ZIFA O ATOM 538 N ILE A 167 3.329 24.320 29.358 1.00 22.22 ZIFA N ATOM 539 CA ILE A 167 3.744 25.617 28.828 1.00 20.32 ZIFA C ATOM 540 C ILE A 167 5.153 25.650 28.233 1.00 22.19 ZIFA C ATOM 541 O ILE A 167 5.340 26.070 27.090 1.00 22.48 ZIFA O ATOM 542 CB ILE A 167 3.642 26.725 29.903 1.00 20.13 ZIFA C ATOM 543 CG1 ILE A 167 2.223 26.794 30.478 1.00 17.16 ZIFA C ATOM 544 CG2 ILE A 167 4.068 28.072 29.316 1.00 20.32 ZIFA C ATOM 545 CD1 ILE A 167 1.143 27.094 29.442 1.00 20.47 ZIFA C ATOM 546 N CYS A 168 6.140 25.190 28.995 1.00 22.81 ZIFA N ATOM 547 CA CYS A 168 7.526 25.230 28.541 1.00 20.26 ZIFA C ATOM 548 C CYS A 168 8.126 23.881 28.233 1.00 19.99 ZIFA C ATOM 549 O CYS A 168 9.248 23.803 27.741 1.00 18.92 ZIFA O ATOM 550 CB CYS A 168 8.401 25.915 29.583 1.00 19.71 ZIFA C ATOM 551 SG CYS A 168 8.846 24.859 30.966 1.00 23.10 ZIFA S ATOM 552 N GLY A 169 7.403 22.821 28.563 1.00 19.22 ZIFA N ATOM 553 CA GLY A 169 7.910 21.490 28.302 1.00 20.54 ZIFA C ATOM 554 C GLY A 169 8.934 20.938 29.284 1.00 22.68 ZIFA C ATOM 555 O GLY A 169 9.473 19.860 29.044 1.00 22.34 ZIFA O ATOM 556 N ARG A 170 9.209 21.639 30.383 1.00 23.14 ZIFA N ATOM 557 CA ARG A 170 10.182 21.145 31.358 1.00 22.87 ZIFA C ATOM 558 C ARG A 170 9.690 19.855 32.026 1.00 24.07 ZIFA C ATOM 559 O ARG A 170 8.545 19.782 32.481 1.00 25.86 ZIFA O ATOM 560 CB ARG A 170 10.471 22.205 32.407 1.00 21.89 ZIFA C ATOM 561 CG ARG A 170 11.517 21.765 33.388 1.00 25.15 ZIFA C ATOM 562 CD ARG A 170 11.912 22.866 34.329 1.00 28.49 ZIFA C ATOM 563 NE ARG A 170 12.968 22.392 35.212 1.00 37.37 ZIFA N ATOM 564 CZ ARG A 170 13.723 23.172 35.979 1.00 39.55 ZIFA C ATOM 565 NH1 ARG A 170 13.540 24.483 35.983 1.00 40.43 ZIFA N ATOM 566 NH2 ARG A 170 14.689 22.635 36.720 1.00 40.47 ZIFA N ATOM 567 N LYS A 171 10.568 18.856 32.118 1.00 23.69 ZIFA N ATOM 568 CA LYS A 171 10.202 17.560 32.690 1.00 22.22 ZIFA C ATOM 569 C LYS A 171 10.454 17.340 34.177 1.00 21.36 ZIFA C ATOM 570 O LYS A 171 11.404 17.862 34.743 1.00 20.40 ZIFA O ATOM 571 CB LYS A 171 10.841 16.444 31.878 1.00 25.34 ZIFA C ATOM 572 CG LYS A 171 10.434 16.470 30.417 1.00 26.16 ZIFA C ATOM 573 CD LYS A 171 11.167 15.416 29.622 1.00 32.10 ZIFA C ATOM 574 CE LYS A 171 10.196 14.416 29.038 1.00 38.99 ZIFA C ATOM 575 NZ LYS A 171 10.920 13.393 28.238 1.00 42.78 ZIFA N ATOM 576 N PHE A 172 9.600 16.518 34.783 1.00 21.75 ZIFA N ATOM 577 CA PHE A 172 9.655 16.200 36.205 1.00 18.14 ZIFA C ATOM 578 C PHE A 172 9.410 14.725 36.504 1.00 19.07 ZIFA C ATOM 579 O PHE A 172 8.705 14.030 35.772 1.00 19.51 ZIFA O ATOM 580 CB PHE A 172 8.631 17.044 36.941 1.00 16.36 ZIFA C ATOM 581 CG PHE A 172 8.894 18.512 36.839 1.00 16.61 ZIFA C ATOM 582 CD1 PHE A 172 9.725 19.145 37.758 1.00 17.02 ZIFA C ATOM 583 CD2 PHE A 172 8.340 19.260 35.812 1.00 17.37 ZIFA C ATOM 584 CE1 PHE A 172 10.001 20.491 37.656 1.00 12.02 ZIFA C ATOM 585 CE2 PHE A 172 8.613 20.608 35.708 1.00 12.47 ZIFA C ATOM 586 CZ PHE A 172 9.450 21.220 36.636 1.00 13.19 ZIFA C ATOM 587 N ALA A 173 9.995 14.261 37.601 1.00 20.53 ZIFA N ATOM 588 CA ALA A 173 9.877 12.869 38.035 1.00 19.77 ZIFA C ATOM 589 C ALA A 173 8.537 12.578 38.682 1.00 19.24 ZIFA C ATOM 590 O ALA A 173 8.095 11.427 38.725 1.00 22.88 ZIFA O ATOM 591 CB ALA A 173 11.006 12.536 39.016 1.00 15.12 ZIFA C ATOM 592 N ARG A 174 7.912 13.626 39.209 1.00 19.65 ZIFA N ATOM 593 CA ARG A 174 6.627 13.513 39.884 1.00 20.13 ZIFA C ATOM 594 C ARG A 174 5.665 14.524 39.307 1.00 20.94 ZIFA C ATOM 595 O ARG A 174 6.069 15.591 38.857 1.00 21.50 ZIFA O ATOM 596 CB ARG A 174 6.788 13.767 41.389 1.00 16.54 ZIFA C ATOM 597 CG ARG A 174 7.782 12.850 42.075 1.00 14.42 ZIFA C ATOM 598 CD ARG A 174 7.429 12.621 43.528 1.00 17.60 ZIFA C ATOM 599 NE ARG A 174 7.186 13.864 44.256 1.00 14.79 ZIFA N ATOM 600 CZ ARG A 174 7.739 14.159 45.423 1.00 13.23 ZIFA C ATOM 601 NH1 ARG A 174 8.575 13.308 45.997 1.00 16.39 ZIFA N ATOM 602 NH2 ARG A 174 7.420 15.285 46.042 1.00 15.19 ZIFA N ATOM 603 N SER A 175 4.385 14.181 39.315 1.00 22.87 ZIFA N ATOM 604 CA SER A 175 3.368 15.076 38.798 1.00 24.65 ZIFA C ATOM 605 C SER A 175 3.201 16.301 39.703 1.00 24.65 ZIFA C ATOM 606 O SER A 175 2.897 17.386 39.214 1.00 23.22 ZIFA O ATOM 607 CB SER A 175 2.044 14.330 38.632 1.00 25.77 ZIFA C ATOM 608 OG SER A 175 1.669 13.687 39.836 1.00 29.09 ZIFA O ATOM 609 N ASP A 176 3.442 16.144 41.007 1.00 25.44 ZIFA N ATOM 610 CA ASP A 176 3.310 17.273 41.935 1.00 25.49 ZIFA C ATOM 611 C ASP A 176 4.422 18.296 41.750 1.00 23.92 ZIFA C ATOM 612 O ASP A 176 4.225 19.487 41.997 1.00 25.00 ZIFA O ATOM 613 CB ASP A 176 3.191 16.819 43.404 1.00 24.37 ZIFA C ATOM 614 CG ASP A 176 4.355 15.983 43.860 1.00 25.54 ZIFA C ATOM 615 OD1 ASP A 176 4.532 14.868 43.329 1.00 25.90 ZIFA O ATOM 616 OD2 ASP A 176 5.083 16.430 44.771 1.00 26.03 ZIFA O ATOM 617 N GLU A 177 5.590 17.834 41.317 1.00 21.63 ZIFA N ATOM 618 CA GLU A 177 6.695 18.746 41.054 1.00 21.69 ZIFA C ATOM 619 C GLU A 177 6.307 19.569 39.843 1.00 20.94 ZIFA C ATOM 620 O GLU A 177 6.567 20.769 39.789 1.00 23.98 ZIFA O ATOM 621 CB GLU A 177 7.979 17.978 40.772 1.00 21.81 ZIFA C ATOM 622 CG GLU A 177 8.523 17.284 41.994 1.00 28.56 ZIFA C ATOM 623 CD GLU A 177 9.693 16.373 41.691 1.00 31.77 ZIFA C ATOM 624 OE1 GLU A 177 9.725 15.773 40.596 1.00 33.11 ZIFA O ATOM 625 OE2 GLU A 177 10.576 16.240 42.566 1.00 34.96 ZIFA O ATOM 626 N ARG A 178 5.663 18.914 38.879 1.00 20.71 ZIFA N ATOM 627 CA ARG A 178 5.205 19.579 37.664 1.00 22.06 ZIFA C ATOM 628 C ARG A 178 4.071 20.547 38.009 1.00 23.12 ZIFA C ATOM 629 O ARG A 178 4.030 21.665 37.500 1.00 22.77 ZIFA O ATOM 630 CB ARG A 178 4.714 18.556 36.636 1.00 20.94 ZIFA C ATOM 631 CG ARG A 178 4.559 19.126 35.226 1.00 24.65 ZIFA C ATOM 632 CD ARG A 178 3.162 18.924 34.636 1.00 26.08 ZIFA C ATOM 633 NE ARG A 178 2.767 17.521 34.554 1.00 28.98 ZIFA N ATOM 634 CZ ARG A 178 1.759 16.985 35.235 1.00 33.76 ZIFA C ATOM 635 NH1 ARG A 178 1.028 17.730 36.057 1.00 35.38 ZIFA N ATOM 636 NH2 ARG A 178 1.503 15.688 35.129 1.00 35.99 ZIFA N ATOM 637 N LYS A 179 3.162 20.117 38.886 1.00 22.12 ZIFA N ATOM 638 CA LYS A 179 2.038 20.955 39.285 1.00 22.37 ZIFA C ATOM 639 C LYS A 179 2.535 22.223 39.954 1.00 22.75 ZIFA C ATOM 640 O LYS A 179 2.053 23.313 39.656 1.00 21.79 ZIFA O ATOM 641 CB LYS A 179 1.082 20.202 40.219 1.00 21.50 ZIFA C ATOM 642 CG LYS A 179 0.080 21.136 40.887 1.00 24.34 ZIFA C ATOM 643 CD LYS A 179 -0.876 20.428 41.802 1.00 24.42 ZIFA C ATOM 644 CE LYS A 179 -1.896 19.641 41.017 1.00 27.71 ZIFA C ATOM 645 NZ LYS A 179 -2.904 19.034 41.927 1.00 28.04 ZIFA N ATOM 646 N ARG A 180 3.518 22.070 40.842 1.00 23.97 ZIFA N ATOM 647 CA ARG A 180 4.107 23.195 41.567 1.00 23.29 ZIFA C ATOM 648 C ARG A 180 4.883 24.118 40.621 1.00 23.77 ZIFA C ATOM 649 O ARG A 180 4.988 25.321 40.856 1.00 25.00 ZIFA O ATOM 650 CB ARG A 180 5.036 22.671 42.663 1.00 23.01 ZIFA C ATOM 651 CG ARG A 180 5.686 23.752 43.496 1.00 19.76 ZIFA C ATOM 652 CD ARG A 180 6.603 23.178 44.546 1.00 17.08 ZIFA C ATOM 653 NE ARG A 180 7.755 22.485 43.972 1.00 17.26 ZIFA N ATOM 654 CZ ARG A 180 8.704 21.906 44.701 1.00 15.74 ZIFA C ATOM 655 NH1 ARG A 180 8.634 21.940 46.023 1.00 16.61 ZIFA N ATOM 656 NH2 ARG A 180 9.728 21.308 44.117 1.00 17.39 ZIFA N ATOM 657 N HIS A 181 5.434 23.546 39.557 1.00 20.89 ZIFA N ATOM 658 CA HIS A 181 6.186 24.319 38.584 1.00 18.55 ZIFA C ATOM 659 C HIS A 181 5.297 25.106 37.629 1.00 17.72 ZIFA C ATOM 660 O HIS A 181 5.509 26.293 37.414 1.00 17.74 ZIFA O ATOM 661 CB HIS A 181 7.102 23.396 37.787 1.00 17.73 ZIFA C ATOM 662 CG HIS A 181 7.545 23.967 36.477 1.00 15.80 ZIFA C ATOM 663 ND1 HIS A 181 8.641 24.788 36.357 1.00 15.16 ZIFA N ATOM 664 CD2 HIS A 181 7.013 23.866 35.237 1.00 15.84 ZIFA C ATOM 665 CE1 HIS A 181 8.764 25.176 35.102 1.00 14.83 ZIFA C ATOM 666 NE2 HIS A 181 7.787 24.631 34.400 1.00 12.96 ZIFA N ATOM 667 N THR A 182 4.288 24.451 37.074 1.00 17.42 ZIFA N ATOM 668 CA THR A 182 3.415 25.097 36.104 1.00 20.41 ZIFA C ATOM 669 C THR A 182 2.927 26.502 36.466 1.00 22.50 ZIFA C ATOM 670 O THR A 182 2.833 27.363 35.584 1.00 24.10 ZIFA O ATOM 671 CB THR A 182 2.202 24.218 35.743 1.00 18.77 ZIFA C ATOM 672 OG1 THR A 182 2.647 22.911 35.361 1.00 19.19 ZIFA O ATOM 673 CG2 THR A 182 1.441 24.825 34.575 1.00 14.76 ZIFA C ATOM 674 N LYS A 183 2.676 26.752 37.751 1.00 21.75 ZIFA N ATOM 675 CA LYS A 183 2.186 28.056 38.188 1.00 21.27 ZIFA C ATOM 676 C LYS A 183 3.174 29.204 38.095 1.00 21.07 ZIFA C ATOM 677 O LYS A 183 2.779 30.353 38.256 1.00 23.45 ZIFA O ATOM 678 CB LYS A 183 1.596 27.983 39.599 1.00 22.62 ZIFA C ATOM 679 CG LYS A 183 2.598 27.613 40.665 1.00 31.77 ZIFA C ATOM 680 CD LYS A 183 1.970 27.530 42.051 1.00 36.65 ZIFA C ATOM 681 CE LYS A 183 3.020 27.150 43.092 1.00 39.22 ZIFA C ATOM 682 NZ LYS A 183 2.413 26.880 44.425 1.00 42.67 ZIFA N ATOM 683 N ILE A 184 4.450 28.925 37.845 1.00 19.97 ZIFA N ATOM 684 CA ILE A 184 5.407 30.021 37.733 1.00 22.20 ZIFA C ATOM 685 C ILE A 184 5.195 30.797 36.433 1.00 21.93 ZIFA C ATOM 686 O ILE A 184 5.672 31.920 36.295 1.00 26.13 ZIFA O ATOM 687 CB ILE A 184 6.893 29.568 37.841 1.00 21.81 ZIFA C ATOM 688 CG1 ILE A 184 7.310 28.766 36.603 1.00 22.54 ZIFA C ATOM 689 CG2 ILE A 184 7.111 28.792 39.134 1.00 19.87 ZIFA C ATOM 690 CD1 ILE A 184 8.799 28.531 36.495 1.00 18.93 ZIFA C ATOM 691 N HIS A 185 4.427 30.224 35.512 1.00 22.03 ZIFA N ATOM 692 CA HIS A 185 4.141 30.861 34.227 1.00 23.83 ZIFA C ATOM 693 C HIS A 185 3.024 31.906 34.272 1.00 26.05 ZIFA C ATOM 694 O HIS A 185 2.771 32.606 33.284 1.00 26.66 ZIFA O ATOM 695 CB HIS A 185 3.794 29.792 33.177 1.00 21.18 ZIFA C ATOM 696 CG HIS A 185 4.881 28.785 32.933 1.00 21.04 ZIFA C ATOM 697 ND1 HIS A 185 6.115 29.126 32.421 1.00 21.55 ZIFA N ATOM 698 CD2 HIS A 185 4.907 27.440 33.105 1.00 21.31 ZIFA C ATOM 699 CE1 HIS A 185 6.853 28.039 32.285 1.00 19.54 ZIFA C ATOM 700 NE2 HIS A 185 6.144 27.002 32.692 1.00 19.12 ZIFA N ATOM 701 N LEU A 186 2.386 32.023 35.424 1.00 28.96 ZIFA N ATOM 702 CA LEU A 186 1.302 32.956 35.577 1.00 33.30 ZIFA C ATOM 703 C LEU A 186 1.900 34.185 36.232 1.00 39.80 ZIFA C ATOM 704 O LEU A 186 2.927 34.043 36.929 1.00 47.35 ZIFA O ATOM 705 CB LEU A 186 0.273 32.398 36.584 1.00 29.30 ZIFA C ATOM 706 CG LEU A 186 -0.402 31.090 36.241 1.00 26.07 ZIFA C ATOM 707 CD1 LEU A 186 -1.258 30.716 37.410 1.00 29.26 ZIFA C ATOM 708 CD2 LEU A 186 -1.242 31.332 35.043 1.00 26.96 ZIFA C ATOM 709 N ARG A 187 1.281 35.343 35.950 1.00 42.99 ZIFA N ATOM 710 CA ARG A 187 1.645 36.575 36.702 1.00 46.00 ZIFA C ATOM 711 C ARG A 187 0.924 37.779 36.065 1.00 48.46 ZIFA C ATOM 712 O ARG A 187 -0.284 37.713 35.832 1.00 47.85 ZIFA O ATOM 713 CB ARG A 187 3.167 36.743 36.876 1.00 44.67 ZIFA C ATOM 714 CG ARG A 187 3.900 37.647 35.903 1.00 41.49 ZIFA C ATOM 715 CD ARG A 187 5.240 36.990 35.579 1.00 42.88 ZIFA C ATOM 716 NE ARG A 187 5.098 35.919 34.590 1.00 41.56 ZIFA N ATOM 717 CZ ARG A 187 6.057 35.052 34.270 1.00 40.77 ZIFA C ATOM 718 NH1 ARG A 187 7.244 35.110 34.861 1.00 39.83 ZIFA N ATOM 719 NH2 ARG A 187 5.844 34.149 33.325 1.00 40.45 ZIFA N TER 720 ARG A 187 HETATM 721 ZN ZN A 201 -0.655 7.045 65.279 1.00 38.93 ZIN ZN HETATM 722 ZN ZN A 202 17.738 4.301 46.027 1.00 30.04 ZIN ZN HETATM 723 ZN ZN A 203 6.921 25.199 32.497 1.00 25.46 ZIN ZN ATOM 724 O5* A B 1 12.173 23.980 40.892 1.00 39.67 DNAB O ATOM 725 C5* A B 1 13.405 24.416 40.329 1.00 34.30 DNAB C ATOM 726 C4* A B 1 14.566 23.619 40.876 1.00 36.44 DNAB C ATOM 727 O4* A B 1 14.755 23.935 42.278 1.00 34.70 DNAB O ATOM 728 C3* A B 1 14.384 22.103 40.803 1.00 35.60 DNAB C ATOM 729 O3* A B 1 15.623 21.481 40.450 1.00 37.22 DNAB O ATOM 730 C2* A B 1 13.960 21.726 42.213 1.00 34.53 DNAB C ATOM 731 C1* A B 1 14.684 22.755 43.066 1.00 30.93 DNAB C ATOM 732 N9 A B 1 13.995 23.095 44.313 1.00 27.07 DNAB N ATOM 733 C8 A B 1 14.417 22.849 45.596 1.00 25.22 DNAB C ATOM 734 N7 A B 1 13.597 23.296 46.517 1.00 21.72 DNAB N ATOM 735 C5 A B 1 12.563 23.868 45.793 1.00 22.78 DNAB C ATOM 736 C6 A B 1 11.380 24.518 46.188 1.00 26.61 DNAB C ATOM 737 N6 A B 1 11.031 24.720 47.463 1.00 25.12 DNAB N ATOM 738 N1 A B 1 10.557 24.967 45.213 1.00 27.68 DNAB N ATOM 739 C2 A B 1 10.909 24.773 43.936 1.00 27.80 DNAB C ATOM 740 N3 A B 1 11.995 24.182 43.443 1.00 27.25 DNAB N ATOM 741 C4 A B 1 12.791 23.746 44.433 1.00 24.17 DNAB C ATOM 742 P G B 2 15.649 19.929 40.045 1.00 36.95 DNAB P ATOM 743 O1P G B 2 14.361 19.602 39.380 1.00 38.11 DNAB O ATOM 744 O2P G B 2 16.927 19.650 39.346 1.00 37.84 DNAB O ATOM 745 O5* G B 2 15.695 19.187 41.449 1.00 37.97 DNAB O ATOM 746 C5* G B 2 16.897 19.195 42.230 1.00 36.92 DNAB C ATOM 747 C4* G B 2 16.759 18.270 43.415 1.00 34.94 DNAB C ATOM 748 O4* G B 2 15.948 18.882 44.444 1.00 34.40 DNAB O ATOM 749 C3* G B 2 16.106 16.924 43.102 1.00 33.63 DNAB C ATOM 750 O3* G B 2 16.798 15.893 43.808 1.00 35.87 DNAB O ATOM 751 C2* G B 2 14.689 17.090 43.626 1.00 31.38 DNAB C ATOM 752 C1* G B 2 14.914 17.991 44.827 1.00 32.71 DNAB C ATOM 753 N9 G B 2 13.770 18.792 45.254 1.00 28.04 DNAB N ATOM 754 C8 G B 2 12.804 19.363 44.463 1.00 25.73 DNAB C ATOM 755 N7 G B 2 11.923 20.046 45.144 1.00 24.94 DNAB N ATOM 756 C5 G B 2 12.330 19.913 46.465 1.00 23.03 DNAB C ATOM 757 C6 G B 2 11.771 20.440 47.659 1.00 22.89 DNAB C ATOM 758 O6 G B 2 10.769 21.155 47.796 1.00 28.20 DNAB O ATOM 759 N1 G B 2 12.503 20.058 48.778 1.00 23.82 DNAB N ATOM 760 C2 G B 2 13.628 19.270 48.753 1.00 23.54 DNAB C ATOM 761 N2 G B 2 14.193 19.010 49.940 1.00 23.31 DNAB N ATOM 762 N3 G B 2 14.158 18.774 47.651 1.00 21.44 DNAB N ATOM 763 C4 G B 2 13.464 19.135 46.551 1.00 25.14 DNAB C ATOM 764 P C B 3 16.379 14.360 43.591 1.00 37.49 DNAB P ATOM 765 O1P C B 3 15.657 14.255 42.298 1.00 36.85 DNAB O ATOM 766 O2P C B 3 17.579 13.519 43.834 1.00 33.91 DNAB O ATOM 767 O5* C B 3 15.328 14.108 44.757 1.00 33.89 DNAB O ATOM 768 C5* C B 3 15.703 14.317 46.122 1.00 28.82 DNAB C ATOM 769 C4* C B 3 14.521 14.084 47.031 1.00 28.66 DNAB C ATOM 770 O4* C B 3 13.657 15.246 47.110 1.00 26.79 DNAB O ATOM 771 C3* C B 3 13.618 12.909 46.640 1.00 27.44 DNAB C ATOM 772 O3* C B 3 13.232 12.227 47.830 1.00 25.59 DNAB O ATOM 773 C2* C B 3 12.386 13.601 46.091 1.00 25.79 DNAB C ATOM 774 C1* C B 3 12.333 14.753 47.068 1.00 26.71 DNAB C ATOM 775 N1 C B 3 11.414 15.864 46.783 1.00 25.16 DNAB N ATOM 776 C2 C B 3 11.052 16.715 47.839 1.00 25.43 DNAB C ATOM 777 O2 C B 3 11.575 16.546 48.954 1.00 24.22 DNAB O ATOM 778 N3 C B 3 10.149 17.694 47.619 1.00 24.66 DNAB N ATOM 779 C4 C B 3 9.619 17.850 46.405 1.00 23.69 DNAB C ATOM 780 N4 C B 3 8.712 18.813 46.243 1.00 27.82 DNAB N ATOM 781 C5 C B 3 9.993 17.020 45.304 1.00 20.67 DNAB C ATOM 782 C6 C B 3 10.888 16.051 45.536 1.00 21.43 DNAB C ATOM 783 P G B 4 13.246 10.626 47.881 1.00 23.84 DNAB P ATOM 784 O1P G B 4 12.044 10.130 47.159 1.00 23.02 DNAB O ATOM 785 O2P G B 4 14.592 10.151 47.482 1.00 23.38 DNAB O ATOM 786 O5* G B 4 13.045 10.336 49.431 1.00 21.79 DNAB O ATOM 787 C5* G B 4 13.939 10.903 50.401 1.00 17.67 DNAB C ATOM 788 C4* G B 4 13.172 11.344 51.624 1.00 18.81 DNAB C ATOM 789 O4* G B 4 12.458 12.576 51.362 1.00 20.70 DNAB O ATOM 790 C3* G B 4 12.126 10.339 52.100 1.00 21.35 DNAB C ATOM 791 O3* G B 4 12.138 10.268 53.523 1.00 24.79 DNAB O ATOM 792 C2* G B 4 10.818 10.928 51.602 1.00 22.72 DNAB C ATOM 793 C1* G B 4 11.083 12.420 51.679 1.00 17.36 DNAB C ATOM 794 N9 G B 4 10.311 13.207 50.722 1.00 18.48 DNAB N ATOM 795 C8 G B 4 10.411 13.165 49.351 1.00 16.13 DNAB C ATOM 796 N7 G B 4 9.585 13.978 48.751 1.00 17.34 DNAB N ATOM 797 C5 G B 4 8.894 14.596 49.786 1.00 16.88 DNAB C ATOM 798 C6 G B 4 7.860 15.574 49.750 1.00 16.62 DNAB C ATOM 799 O6 G B 4 7.328 16.099 48.763 1.00 21.64 DNAB O ATOM 800 N1 G B 4 7.445 15.928 51.028 1.00 14.81 DNAB N ATOM 801 C2 G B 4 7.953 15.410 52.193 1.00 17.98 DNAB C ATOM 802 N2 G B 4 7.425 15.891 53.329 1.00 16.92 DNAB N ATOM 803 N3 G B 4 8.910 14.492 52.244 1.00 16.85 DNAB N ATOM 804 C4 G B 4 9.331 14.135 51.011 1.00 18.18 DNAB C ATOM 805 P T B 5 11.472 9.009 54.258 1.00 24.25 DNAB P ATOM 806 O1P T B 5 11.605 7.828 53.366 1.00 23.49 DNAB O ATOM 807 O2P T B 5 12.008 8.951 55.639 1.00 22.66 DNAB O ATOM 808 O5* T B 5 9.934 9.398 54.316 1.00 25.11 DNAB O ATOM 809 C5* T B 5 9.490 10.498 55.115 1.00 23.68 DNAB C ATOM 810 C4* T B 5 8.005 10.703 54.933 1.00 27.14 DNAB C ATOM 811 O4* T B 5 7.717 11.513 53.765 1.00 27.72 DNAB O ATOM 812 C3* T B 5 7.203 9.409 54.765 1.00 30.86 DNAB C ATOM 813 O3* T B 5 6.018 9.478 55.554 1.00 33.51 DNAB O ATOM 814 C2* T B 5 6.817 9.427 53.295 1.00 29.32 DNAB C ATOM 815 C1* T B 5 6.620 10.913 53.100 1.00 25.43 DNAB C ATOM 816 N1 T B 5 6.573 11.413 51.714 1.00 21.80 DNAB N ATOM 817 C2 T B 5 5.780 12.510 51.477 1.00 20.24 DNAB C ATOM 818 O2 T B 5 5.191 13.106 52.363 1.00 19.58 DNAB O ATOM 819 N3 T B 5 5.705 12.892 50.160 1.00 19.28 DNAB N ATOM 820 C4 T B 5 6.341 12.306 49.083 1.00 19.03 DNAB C ATOM 821 O4 T B 5 6.157 12.744 47.952 1.00 20.38 DNAB O ATOM 822 C5 T B 5 7.192 11.181 49.409 1.00 17.43 DNAB C ATOM 823 C5M T B 5 7.951 10.505 48.310 1.00 15.36 DNAB C ATOM 824 C6 T B 5 7.263 10.794 50.691 1.00 21.13 DNAB C ATOM 825 P G B 6 5.465 8.158 56.284 1.00 35.84 DNAB P ATOM 826 O1P G B 6 6.433 7.802 57.354 1.00 37.98 DNAB O ATOM 827 O2P G B 6 5.098 7.144 55.258 1.00 31.24 DNAB O ATOM 828 O5* G B 6 4.133 8.677 56.977 1.00 36.35 DNAB O ATOM 829 C5* G B 6 4.146 9.875 57.771 1.00 34.33 DNAB C ATOM 830 C4* G B 6 2.929 10.715 57.469 1.00 32.04 DNAB C ATOM 831 O4* G B 6 3.037 11.293 56.144 1.00 30.56 DNAB O ATOM 832 C3* G B 6 1.616 9.932 57.488 1.00 33.85 DNAB C ATOM 833 O3* G B 6 0.600 10.701 58.132 1.00 37.44 DNAB O ATOM 834 C2* G B 6 1.298 9.730 56.017 1.00 31.25 DNAB C ATOM 835 C1* G B 6 1.879 10.982 55.383 1.00 29.65 DNAB C ATOM 836 N9 G B 6 2.284 10.816 53.989 1.00 26.59 DNAB N ATOM 837 C8 G B 6 3.223 9.943 53.496 1.00 24.64 DNAB C ATOM 838 N7 G B 6 3.357 10.015 52.200 1.00 22.75 DNAB N ATOM 839 C5 G B 6 2.454 10.996 51.812 1.00 21.24 DNAB C ATOM 840 C6 G B 6 2.148 11.506 50.524 1.00 19.91 DNAB C ATOM 841 O6 G B 6 2.625 11.178 49.432 1.00 21.83 DNAB O ATOM 842 N1 G B 6 1.174 12.495 50.584 1.00 19.61 DNAB N ATOM 843 C2 G B 6 0.567 12.936 51.734 1.00 18.60 DNAB C ATOM 844 N2 G B 6 -0.353 13.900 51.582 1.00 15.71 DNAB N ATOM 845 N3 G B 6 0.840 12.467 52.939 1.00 21.47 DNAB N ATOM 846 C4 G B 6 1.787 11.505 52.904 1.00 22.12 DNAB C ATOM 847 P G B 7 -0.760 9.988 58.602 1.00 35.49 DNAB P ATOM 848 O1P G B 7 -0.613 8.528 58.390 1.00 35.26 DNAB O ATOM 849 O2P G B 7 -1.111 10.502 59.947 1.00 39.42 DNAB O ATOM 850 O5* G B 7 -1.824 10.551 57.564 1.00 36.06 DNAB O ATOM 851 C5* G B 7 -2.032 11.967 57.445 1.00 34.56 DNAB C ATOM 852 C4* G B 7 -3.044 12.255 56.364 1.00 34.38 DNAB C ATOM 853 O4* G B 7 -2.432 12.158 55.055 1.00 29.38 DNAB O ATOM 854 C3* G B 7 -4.235 11.298 56.355 1.00 35.25 DNAB C ATOM 855 O3* G B 7 -5.437 12.038 56.136 1.00 40.40 DNAB O ATOM 856 C2* G B 7 -3.935 10.373 55.187 1.00 32.93 DNAB C ATOM 857 C1* G B 7 -3.211 11.305 54.234 1.00 29.30 DNAB C ATOM 858 N9 G B 7 -2.319 10.665 53.271 1.00 27.37 DNAB N ATOM 859 C8 G B 7 -1.327 9.748 53.527 1.00 27.60 DNAB C ATOM 860 N7 G B 7 -0.689 9.368 52.451 1.00 24.51 DNAB N ATOM 861 C5 G B 7 -1.298 10.076 51.422 1.00 25.38 DNAB C ATOM 862 C6 G B 7 -1.035 10.082 50.021 1.00 25.50 DNAB C ATOM 863 O6 G B 7 -0.182 9.444 49.391 1.00 27.25 DNAB O ATOM 864 N1 G B 7 -1.893 10.942 49.343 1.00 24.55 DNAB N ATOM 865 C2 G B 7 -2.878 11.697 49.930 1.00 27.75 DNAB C ATOM 866 N2 G B 7 -3.611 12.459 49.102 1.00 27.83 DNAB N ATOM 867 N3 G B 7 -3.131 11.704 51.230 1.00 28.12 DNAB N ATOM 868 C4 G B 7 -2.308 10.876 51.911 1.00 27.45 DNAB C ATOM 869 P G B 8 -6.848 11.274 56.079 1.00 42.53 DNAB P ATOM 870 O1P G B 8 -6.658 9.884 56.565 1.00 43.98 DNAB O ATOM 871 O2P G B 8 -7.859 12.146 56.726 1.00 43.25 DNAB O ATOM 872 O5* G B 8 -7.159 11.221 54.521 1.00 38.98 DNAB O ATOM 873 C5* G B 8 -7.407 12.433 53.790 1.00 34.41 DNAB C ATOM 874 C4* G B 8 -8.044 12.114 52.459 1.00 33.82 DNAB C ATOM 875 O4* G B 8 -7.043 11.607 51.546 1.00 31.95 DNAB O ATOM 876 C3* G B 8 -9.139 11.050 52.533 1.00 36.61 DNAB C ATOM 877 O3* G B 8 -10.239 11.404 51.692 1.00 39.82 DNAB O ATOM 878 C2* G B 8 -8.449 9.793 52.034 1.00 33.65 DNAB C ATOM 879 C1* G B 8 -7.443 10.344 51.039 1.00 31.63 DNAB C ATOM 880 N9 G B 8 -6.247 9.523 50.894 1.00 28.11 DNAB N ATOM 881 C8 G B 8 -5.558 8.880 51.895 1.00 26.09 DNAB C ATOM 882 N7 G B 8 -4.524 8.215 51.459 1.00 23.17 DNAB N ATOM 883 C5 G B 8 -4.528 8.432 50.088 1.00 25.77 DNAB C ATOM 884 C6 G B 8 -3.647 7.965 49.081 1.00 24.60 DNAB C ATOM 885 O6 G B 8 -2.651 7.242 49.204 1.00 29.13 DNAB O ATOM 886 N1 G B 8 -4.021 8.421 47.820 1.00 18.88 DNAB N ATOM 887 C2 G B 8 -5.105 9.220 47.562 1.00 20.01 DNAB C ATOM 888 N2 G B 8 -5.305 9.543 46.275 1.00 21.22 DNAB N ATOM 889 N3 G B 8 -5.932 9.668 48.490 1.00 22.09 DNAB N ATOM 890 C4 G B 8 -5.587 9.237 49.723 1.00 26.62 DNAB C ATOM 891 P C B 9 -11.455 10.375 51.497 1.00 42.64 DNAB P ATOM 892 O1P C B 9 -11.571 9.540 52.721 1.00 41.92 DNAB O ATOM 893 O2P C B 9 -12.629 11.148 51.022 1.00 44.92 DNAB O ATOM 894 O5* C B 9 -10.948 9.449 50.309 1.00 40.68 DNAB O ATOM 895 C5* C B 9 -10.491 10.037 49.083 1.00 37.91 DNAB C ATOM 896 C4* C B 9 -10.166 8.960 48.077 1.00 36.21 DNAB C ATOM 897 O4* C B 9 -8.845 8.404 48.282 1.00 35.42 DNAB O ATOM 898 C3* C B 9 -11.131 7.775 48.080 1.00 36.55 DNAB C ATOM 899 O3* C B 9 -11.382 7.393 46.737 1.00 40.91 DNAB O ATOM 900 C2* C B 9 -10.323 6.674 48.740 1.00 35.32 DNAB C ATOM 901 C1* C B 9 -8.958 6.996 48.174 1.00 35.16 DNAB C ATOM 902 N1 C B 9 -7.807 6.379 48.847 1.00 29.72 DNAB N ATOM 903 C2 C B 9 -6.710 5.999 48.070 1.00 27.77 DNAB C ATOM 904 O2 C B 9 -6.730 6.230 46.850 1.00 26.13 DNAB O ATOM 905 N3 C B 9 -5.659 5.395 48.660 1.00 27.06 DNAB N ATOM 906 C4 C B 9 -5.672 5.172 49.974 1.00 28.33 DNAB C ATOM 907 N4 C B 9 -4.615 4.560 50.511 1.00 31.78 DNAB N ATOM 908 C5 C B 9 -6.770 5.563 50.795 1.00 27.70 DNAB C ATOM 909 C6 C B 9 -7.807 6.160 50.196 1.00 28.53 DNAB C ATOM 910 P A B 10 -12.804 6.782 46.338 1.00 39.66 DNAB P ATOM 911 O1P A B 10 -13.004 5.553 47.152 1.00 35.76 DNAB O ATOM 912 O2P A B 10 -13.803 7.877 46.395 1.00 40.46 DNAB O ATOM 913 O5* A B 10 -12.589 6.366 44.820 1.00 34.44 DNAB O ATOM 914 C5* A B 10 -11.919 7.251 43.910 1.00 33.10 DNAB C ATOM 915 C4* A B 10 -11.060 6.458 42.955 1.00 33.46 DNAB C ATOM 916 O4* A B 10 -9.873 5.974 43.631 1.00 33.67 DNAB O ATOM 917 C3* A B 10 -11.763 5.226 42.390 1.00 34.87 DNAB C ATOM 918 O3* A B 10 -11.473 5.085 41.000 1.00 36.23 DNAB O ATOM 919 C2* A B 10 -11.182 4.078 43.199 1.00 32.35 DNAB C ATOM 920 C1* A B 10 -9.773 4.565 43.496 1.00 30.59 DNAB C ATOM 921 N9 A B 10 -9.185 4.035 44.731 1.00 28.16 DNAB N ATOM 922 C8 A B 10 -9.610 4.223 46.027 1.00 25.68 DNAB C ATOM 923 N7 A B 10 -8.865 3.617 46.923 1.00 21.47 DNAB N ATOM 924 C5 A B 10 -7.883 2.987 46.167 1.00 24.05 DNAB C ATOM 925 C6 A B 10 -6.781 2.184 46.525 1.00 23.22 DNAB C ATOM 926 N6 A B 10 -6.470 1.865 47.782 1.00 23.67 DNAB N ATOM 927 N1 A B 10 -6.000 1.713 45.527 1.00 20.83 DNAB N ATOM 928 C2 A B 10 -6.309 2.033 44.265 1.00 19.91 DNAB C ATOM 929 N3 A B 10 -7.313 2.778 43.804 1.00 21.02 DNAB N ATOM 930 C4 A B 10 -8.069 3.232 44.817 1.00 25.47 DNAB C ATOM 931 P C B 11 -12.297 4.022 40.127 1.00 39.81 DNAB P ATOM 932 O1P C B 11 -13.587 3.783 40.832 1.00 33.25 DNAB O ATOM 933 O2P C B 11 -12.303 4.476 38.711 1.00 36.54 DNAB O ATOM 934 O5* C B 11 -11.406 2.706 40.225 1.00 35.80 DNAB O ATOM 935 C5* C B 11 -10.108 2.665 39.613 1.00 32.96 DNAB C ATOM 936 C4* C B 11 -9.480 1.303 39.793 1.00 32.99 DNAB C ATOM 937 O4* C B 11 -8.964 1.146 41.138 1.00 31.72 DNAB O ATOM 938 C3* C B 11 -10.417 0.117 39.551 1.00 30.51 DNAB C ATOM 939 O3* C B 11 -9.700 -0.921 38.887 1.00 33.12 DNAB O ATOM 940 C2* C B 11 -10.712 -0.380 40.955 1.00 31.98 DNAB C ATOM 941 C1* C B 11 -9.387 -0.108 41.643 1.00 30.18 DNAB C ATOM 942 N1 C B 11 -9.430 -0.024 43.114 1.00 26.14 DNAB N ATOM 943 C2 C B 11 -8.330 -0.494 43.847 1.00 24.52 DNAB C ATOM 944 O2 C B 11 -7.352 -0.956 43.238 1.00 23.23 DNAB O ATOM 945 N3 C B 11 -8.362 -0.433 45.195 1.00 24.37 DNAB N ATOM 946 C4 C B 11 -9.433 0.063 45.815 1.00 23.07 DNAB C ATOM 947 N4 C B 11 -9.421 0.094 47.148 1.00 25.61 DNAB N ATOM 948 C5 C B 11 -10.565 0.550 45.096 1.00 18.80 DNAB C ATOM 949 C6 C B 11 -10.519 0.490 43.760 1.00 21.86 DNAB C TER 950 C B 11 ATOM 951 O5* T C 51 -5.233 -6.220 54.679 1.00 57.99 DNAC O ATOM 952 C5* T C 51 -4.875 -7.603 54.587 1.00 54.71 DNAC C ATOM 953 C4* T C 51 -4.145 -7.899 53.297 1.00 53.96 DNAC C ATOM 954 O4* T C 51 -5.045 -7.701 52.179 1.00 49.78 DNAC O ATOM 955 C3* T C 51 -2.949 -6.983 53.046 1.00 55.17 DNAC C ATOM 956 O3* T C 51 -1.871 -7.711 52.455 1.00 58.62 DNAC O ATOM 957 C2* T C 51 -3.492 -5.937 52.089 1.00 50.96 DNAC C ATOM 958 C1* T C 51 -4.551 -6.695 51.307 1.00 43.87 DNAC C ATOM 959 N1 T C 51 -5.689 -5.843 50.914 1.00 38.42 DNAC N ATOM 960 C2 T C 51 -6.143 -5.901 49.615 1.00 33.97 DNAC C ATOM 961 O2 T C 51 -5.654 -6.628 48.766 1.00 33.58 DNAC O ATOM 962 N3 T C 51 -7.195 -5.065 49.344 1.00 30.84 DNAC N ATOM 963 C4 T C 51 -7.820 -4.193 50.213 1.00 32.37 DNAC C ATOM 964 O4 T C 51 -8.749 -3.493 49.816 1.00 34.83 DNAC O ATOM 965 C5 T C 51 -7.298 -4.189 51.558 1.00 32.53 DNAC C ATOM 966 C5M T C 51 -7.917 -3.281 52.573 1.00 31.61 DNAC C ATOM 967 C6 T C 51 -6.275 -5.004 51.838 1.00 34.42 DNAC C ATOM 968 P G C 52 -0.494 -6.956 52.116 1.00 60.96 DNAC P ATOM 969 O1P G C 52 -0.425 -5.720 52.941 1.00 58.92 DNAC O ATOM 970 O2P G C 52 0.608 -7.952 52.185 1.00 59.08 DNAC O ATOM 971 O5* G C 52 -0.682 -6.522 50.598 1.00 56.50 DNAC O ATOM 972 C5* G C 52 -0.894 -7.515 49.584 1.00 48.66 DNAC C ATOM 973 C4* G C 52 -0.830 -6.884 48.215 1.00 41.78 DNAC C ATOM 974 O4* G C 52 -2.041 -6.139 47.946 1.00 38.95 DNAC O ATOM 975 C3* G C 52 0.326 -5.905 48.028 1.00 40.36 DNAC C ATOM 976 O3* G C 52 0.902 -6.105 46.739 1.00 41.73 DNAC O ATOM 977 C2* G C 52 -0.336 -4.542 48.143 1.00 36.41 DNAC C ATOM 978 C1* G C 52 -1.724 -4.802 47.584 1.00 34.08 DNAC C ATOM 979 N9 G C 52 -2.779 -3.938 48.109 1.00 29.43 DNAC N ATOM 980 C8 G C 52 -3.028 -3.634 49.426 1.00 24.94 DNAC C ATOM 981 N7 G C 52 -4.062 -2.851 49.586 1.00 20.90 DNAC N ATOM 982 C5 G C 52 -4.522 -2.622 48.295 1.00 23.74 DNAC C ATOM 983 C6 G C 52 -5.624 -1.851 47.832 1.00 23.83 DNAC C ATOM 984 O6 G C 52 -6.446 -1.203 48.493 1.00 24.48 DNAC O ATOM 985 N1 G C 52 -5.723 -1.882 46.444 1.00 23.08 DNAC N ATOM 986 C2 G C 52 -4.876 -2.568 45.608 1.00 23.90 DNAC C ATOM 987 N2 G C 52 -5.128 -2.465 44.297 1.00 25.72 DNAC N ATOM 988 N3 G C 52 -3.854 -3.299 46.026 1.00 26.36 DNAC N ATOM 989 C4 G C 52 -3.736 -3.280 47.371 1.00 26.49 DNAC C ATOM 990 P T C 53 2.080 -5.144 46.232 1.00 43.01 DNAC P ATOM 991 O1P T C 53 2.636 -4.421 47.407 1.00 40.87 DNAC O ATOM 992 O2P T C 53 2.982 -5.950 45.368 1.00 42.87 DNAC O ATOM 993 O5* T C 53 1.305 -4.108 45.310 1.00 41.42 DNAC O ATOM 994 C5* T C 53 0.510 -4.582 44.213 1.00 37.25 DNAC C ATOM 995 C4* T C 53 0.082 -3.426 43.342 1.00 35.14 DNAC C ATOM 996 O4* T C 53 -1.042 -2.733 43.933 1.00 35.46 DNAC O ATOM 997 C3* T C 53 1.169 -2.377 43.121 1.00 31.90 DNAC C ATOM 998 O3* T C 53 1.192 -1.999 41.745 1.00 33.70 DNAC O ATOM 999 C2* T C 53 0.733 -1.220 44.006 1.00 27.25 DNAC C ATOM 1000 C1* T C 53 -0.778 -1.343 43.958 1.00 26.91 DNAC C ATOM 1001 N1 T C 53 -1.505 -0.766 45.101 1.00 22.43 DNAC N ATOM 1002 C2 T C 53 -2.654 -0.062 44.834 1.00 21.33 DNAC C ATOM 1003 O2 T C 53 -3.087 0.098 43.704 1.00 25.24 DNAC O ATOM 1004 N3 T C 53 -3.283 0.451 45.939 1.00 18.33 DNAC N ATOM 1005 C4 T C 53 -2.886 0.329 47.255 1.00 21.61 DNAC C ATOM 1006 O4 T C 53 -3.558 0.846 48.148 1.00 22.21 DNAC O ATOM 1007 C5 T C 53 -1.672 -0.426 47.465 1.00 19.25 DNAC C ATOM 1008 C5M T C 53 -1.167 -0.612 48.860 1.00 17.98 DNAC C ATOM 1009 C6 T C 53 -1.050 -0.927 46.391 1.00 19.88 DNAC C ATOM 1010 P G C 54 2.288 -0.948 41.229 1.00 36.30 DNAC P ATOM 1011 O1P G C 54 3.376 -0.878 42.241 1.00 36.80 DNAC O ATOM 1012 O2P G C 54 2.615 -1.269 39.814 1.00 37.00 DNAC O ATOM 1013 O5* G C 54 1.490 0.423 41.258 1.00 33.13 DNAC O ATOM 1014 C5* G C 54 0.222 0.530 40.596 1.00 31.84 DNAC C ATOM 1015 C4* G C 54 -0.340 1.915 40.789 1.00 31.19 DNAC C ATOM 1016 O4* G C 54 -1.007 2.035 42.071 1.00 29.04 DNAC O ATOM 1017 C3* G C 54 0.718 3.021 40.749 1.00 29.59 DNAC C ATOM 1018 O3* G C 54 0.205 4.126 40.022 1.00 33.47 DNAC O ATOM 1019 C2* G C 54 0.853 3.421 42.206 1.00 26.42 DNAC C ATOM 1020 C1* G C 54 -0.580 3.243 42.671 1.00 23.34 DNAC C ATOM 1021 N9 G C 54 -0.773 3.142 44.111 1.00 18.75 DNAC N ATOM 1022 C8 G C 54 0.060 2.552 45.029 1.00 20.07 DNAC C ATOM 1023 N7 G C 54 -0.359 2.685 46.257 1.00 19.90 DNAC N ATOM 1024 C5 G C 54 -1.550 3.392 46.142 1.00 19.07 DNAC C ATOM 1025 C6 G C 54 -2.454 3.851 47.142 1.00 16.16 DNAC C ATOM 1026 O6 G C 54 -2.376 3.731 48.370 1.00 16.10 DNAC O ATOM 1027 N1 G C 54 -3.534 4.521 46.585 1.00 16.89 DNAC N ATOM 1028 C2 G C 54 -3.726 4.730 45.241 1.00 17.91 DNAC C ATOM 1029 N2 G C 54 -4.840 5.396 44.906 1.00 14.47 DNAC N ATOM 1030 N3 G C 54 -2.890 4.318 44.301 1.00 20.18 DNAC N ATOM 1031 C4 G C 54 -1.829 3.663 44.821 1.00 18.47 DNAC C ATOM 1032 P C C 55 0.990 4.664 38.740 1.00 32.61 DNAC P ATOM 1033 O1P C C 55 2.426 4.767 39.091 1.00 34.00 DNAC O ATOM 1034 O2P C C 55 0.574 3.867 37.549 1.00 36.55 DNAC O ATOM 1035 O5* C C 55 0.417 6.134 38.603 1.00 32.41 DNAC O ATOM 1036 C5* C C 55 0.331 6.960 39.764 1.00 34.61 DNAC C ATOM 1037 C4* C C 55 -1.006 7.657 39.817 1.00 35.75 DNAC C ATOM 1038 O4* C C 55 -1.795 7.073 40.888 1.00 33.78 DNAC O ATOM 1039 C3* C C 55 -0.838 9.133 40.144 1.00 38.76 DNAC C ATOM 1040 O3* C C 55 -1.529 9.980 39.244 1.00 40.80 DNAC O ATOM 1041 C2* C C 55 -1.349 9.289 41.561 1.00 39.59 DNAC C ATOM 1042 C1* C C 55 -2.178 8.053 41.844 1.00 31.54 DNAC C ATOM 1043 N1 C C 55 -1.810 7.559 43.179 1.00 28.01 DNAC N ATOM 1044 C2 C C 55 -2.636 7.860 44.266 1.00 26.41 DNAC C ATOM 1045 O2 C C 55 -3.705 8.456 44.061 1.00 28.37 DNAC O ATOM 1046 N3 C C 55 -2.248 7.498 45.508 1.00 23.22 DNAC N ATOM 1047 C4 C C 55 -1.092 6.857 45.689 1.00 21.04 DNAC C ATOM 1048 N4 C C 55 -0.726 6.569 46.939 1.00 20.80 DNAC N ATOM 1049 C5 C C 55 -0.253 6.496 44.595 1.00 20.10 DNAC C ATOM 1050 C6 C C 55 -0.652 6.858 43.369 1.00 26.06 DNAC C ATOM 1051 P C C 56 -1.106 11.521 39.179 1.00 44.96 DNAC P ATOM 1052 O1P C C 56 0.257 11.619 39.756 1.00 40.53 DNAC O ATOM 1053 O2P C C 56 -1.359 12.043 37.805 1.00 50.60 DNAC O ATOM 1054 O5* C C 56 -2.122 12.205 40.194 1.00 39.67 DNAC O ATOM 1055 C5* C C 56 -3.521 11.893 40.141 1.00 37.58 DNAC C ATOM 1056 C4* C C 56 -4.238 12.525 41.308 1.00 36.70 DNAC C ATOM 1057 O4* C C 56 -3.938 11.810 42.531 1.00 34.48 DNAC O ATOM 1058 C3* C C 56 -3.847 13.979 41.557 1.00 33.06 DNAC C ATOM 1059 O3* C C 56 -5.008 14.739 41.892 1.00 33.48 DNAC O ATOM 1060 C2* C C 56 -2.875 13.892 42.722 1.00 32.41 DNAC C ATOM 1061 C1* C C 56 -3.392 12.693 43.499 1.00 31.88 DNAC C ATOM 1062 N1 C C 56 -2.362 11.951 44.244 1.00 28.14 DNAC N ATOM 1063 C2 C C 56 -2.509 11.791 45.624 1.00 25.43 DNAC C ATOM 1064 O2 C C 56 -3.486 12.311 46.188 1.00 25.30 DNAC O ATOM 1065 N3 C C 56 -1.587 11.077 46.309 1.00 24.09 DNAC N ATOM 1066 C4 C C 56 -0.547 10.543 45.667 1.00 23.83 DNAC C ATOM 1067 N4 C C 56 0.333 9.836 46.380 1.00 24.11 DNAC N ATOM 1068 C5 C C 56 -0.361 10.706 44.263 1.00 23.16 DNAC C ATOM 1069 C6 C C 56 -1.283 11.412 43.599 1.00 26.08 DNAC C ATOM 1070 P C C 57 -4.879 16.320 42.112 1.00 35.40 DNAC P ATOM 1071 O1P C C 57 -3.776 16.812 41.245 1.00 36.57 DNAC O ATOM 1072 O2P C C 57 -6.228 16.920 41.998 1.00 37.34 DNAC O ATOM 1073 O5* C C 57 -4.424 16.417 43.630 1.00 38.28 DNAC O ATOM 1074 C5* C C 57 -5.265 15.885 44.661 1.00 37.24 DNAC C ATOM 1075 C4* C C 57 -4.753 16.301 46.015 1.00 37.38 DNAC C ATOM 1076 O4* C C 57 -3.742 15.377 46.485 1.00 38.60 DNAC O ATOM 1077 C3* C C 57 -4.117 17.691 46.039 1.00 38.64 DNAC C ATOM 1078 O3* C C 57 -4.639 18.446 47.130 1.00 39.98 DNAC O ATOM 1079 C2* C C 57 -2.633 17.406 46.218 1.00 35.28 DNAC C ATOM 1080 C1* C C 57 -2.648 16.109 47.005 1.00 32.38 DNAC C ATOM 1081 N1 C C 57 -1.443 15.270 46.892 1.00 25.95 DNAC N ATOM 1082 C2 C C 57 -0.933 14.665 48.048 1.00 20.88 DNAC C ATOM 1083 O2 C C 57 -1.519 14.842 49.127 1.00 22.02 DNAC O ATOM 1084 N3 C C 57 0.182 13.908 47.964 1.00 17.93 DNAC N ATOM 1085 C4 C C 57 0.786 13.742 46.786 1.00 17.52 DNAC C ATOM 1086 N4 C C 57 1.895 12.998 46.755 1.00 16.09 DNAC N ATOM 1087 C5 C C 57 0.285 14.333 45.590 1.00 17.21 DNAC C ATOM 1088 C6 C C 57 -0.822 15.081 45.688 1.00 23.10 DNAC C ATOM 1089 P A C 58 -4.173 19.968 47.338 1.00 44.07 DNAC P ATOM 1090 O1P A C 58 -3.412 20.410 46.139 1.00 41.99 DNAC O ATOM 1091 O2P A C 58 -5.342 20.758 47.800 1.00 41.83 DNAC O ATOM 1092 O5* A C 58 -3.154 19.834 48.546 1.00 43.62 DNAC O ATOM 1093 C5* A C 58 -3.521 19.092 49.714 1.00 41.68 DNAC C ATOM 1094 C4* A C 58 -2.426 19.182 50.744 1.00 40.62 DNAC C ATOM 1095 O4* A C 58 -1.416 18.174 50.499 1.00 38.32 DNAC O ATOM 1096 C3* A C 58 -1.711 20.530 50.737 1.00 40.71 DNAC C ATOM 1097 O3* A C 58 -1.569 21.008 52.069 1.00 46.11 DNAC O ATOM 1098 C2* A C 58 -0.364 20.221 50.106 1.00 37.83 DNAC C ATOM 1099 C1* A C 58 -0.134 18.772 50.494 1.00 32.18 DNAC C ATOM 1100 N9 A C 58 0.709 18.030 49.557 1.00 26.39 DNAC N ATOM 1101 C8 A C 58 0.791 18.184 48.194 1.00 21.98 DNAC C ATOM 1102 N7 A C 58 1.670 17.397 47.625 1.00 21.62 DNAC N ATOM 1103 C5 A C 58 2.200 16.667 48.679 1.00 20.02 DNAC C ATOM 1104 C6 A C 58 3.185 15.666 48.739 1.00 18.92 DNAC C ATOM 1105 N6 A C 58 3.848 15.214 47.669 1.00 17.32 DNAC N ATOM 1106 N1 A C 58 3.474 15.139 49.949 1.00 16.94 DNAC N ATOM 1107 C2 A C 58 2.813 15.595 51.019 1.00 13.13 DNAC C ATOM 1108 N3 A C 58 1.872 16.531 51.093 1.00 21.94 DNAC N ATOM 1109 C4 A C 58 1.608 17.036 49.874 1.00 23.90 DNAC C ATOM 1110 P C C 59 -0.729 22.345 52.353 1.00 50.02 DNAC P ATOM 1111 O1P C C 59 -0.081 22.795 51.094 1.00 47.09 DNAC O ATOM 1112 O2P C C 59 -1.593 23.283 53.114 1.00 48.03 DNAC O ATOM 1113 O5* C C 59 0.402 21.808 53.326 1.00 48.70 DNAC O ATOM 1114 C5* C C 59 0.112 20.733 54.232 1.00 43.67 DNAC C ATOM 1115 C4* C C 59 1.391 20.220 54.840 1.00 39.22 DNAC C ATOM 1116 O4* C C 59 2.093 19.367 53.902 1.00 35.90 DNAC O ATOM 1117 C3* C C 59 2.352 21.348 55.201 1.00 38.96 DNAC C ATOM 1118 O3* C C 59 2.906 21.109 56.488 1.00 42.27 DNAC O ATOM 1119 C2* C C 59 3.409 21.286 54.110 1.00 36.14 DNAC C ATOM 1120 C1* C C 59 3.434 19.808 53.771 1.00 34.02 DNAC C ATOM 1121 N1 C C 59 3.895 19.472 52.409 1.00 30.40 DNAC N ATOM 1122 C2 C C 59 4.853 18.466 52.257 1.00 26.10 DNAC C ATOM 1123 O2 C C 59 5.285 17.891 53.268 1.00 28.57 DNAC O ATOM 1124 N3 C C 59 5.289 18.145 51.018 1.00 24.47 DNAC N ATOM 1125 C4 C C 59 4.805 18.786 49.954 1.00 22.72 DNAC C ATOM 1126 N4 C C 59 5.267 18.433 48.749 1.00 17.47 DNAC N ATOM 1127 C5 C C 59 3.824 19.817 50.077 1.00 20.13 DNAC C ATOM 1128 C6 C C 59 3.402 20.126 51.313 1.00 24.04 DNAC C ATOM 1129 P G C 60 3.838 22.228 57.159 1.00 44.77 DNAC P ATOM 1130 O1P G C 60 3.755 23.459 56.332 1.00 43.70 DNAC O ATOM 1131 O2P G C 60 3.505 22.286 58.608 1.00 44.62 DNAC O ATOM 1132 O5* G C 60 5.289 21.609 56.982 1.00 40.00 DNAC O ATOM 1133 C5* G C 60 5.536 20.241 57.342 1.00 36.95 DNAC C ATOM 1134 C4* G C 60 6.979 19.894 57.080 1.00 35.71 DNAC C ATOM 1135 O4* G C 60 7.167 19.469 55.708 1.00 32.55 DNAC O ATOM 1136 C3* G C 60 7.932 21.067 57.309 1.00 36.50 DNAC C ATOM 1137 O3* G C 60 9.052 20.643 58.080 1.00 42.54 DNAC O ATOM 1138 C2* G C 60 8.347 21.476 55.906 1.00 32.69 DNAC C ATOM 1139 C1* G C 60 8.251 20.174 55.127 1.00 27.95 DNAC C ATOM 1140 N9 G C 60 7.962 20.344 53.706 1.00 23.83 DNAC N ATOM 1141 C8 G C 60 7.028 21.184 53.151 1.00 23.01 DNAC C ATOM 1142 N7 G C 60 7.000 21.130 51.848 1.00 21.13 DNAC N ATOM 1143 C5 G C 60 7.973 20.197 51.518 1.00 20.29 DNAC C ATOM 1144 C6 G C 60 8.402 19.726 50.246 1.00 20.17 DNAC C ATOM 1145 O6 G C 60 7.993 20.051 49.125 1.00 23.55 DNAC O ATOM 1146 N1 G C 60 9.416 18.781 50.366 1.00 15.67 DNAC N ATOM 1147 C2 G C 60 9.950 18.347 51.553 1.00 18.36 DNAC C ATOM 1148 N2 G C 60 10.925 17.431 51.459 1.00 20.95 DNAC N ATOM 1149 N3 G C 60 9.560 18.775 52.744 1.00 19.08 DNAC N ATOM 1150 C4 G C 60 8.576 19.697 52.652 1.00 21.20 DNAC C ATOM 1151 P C C 61 10.001 21.739 58.763 1.00 47.73 DNAC P ATOM 1152 O1P C C 61 9.500 23.092 58.396 1.00 42.65 DNAC O ATOM 1153 O2P C C 61 10.162 21.379 60.198 1.00 44.62 DNAC O ATOM 1154 O5* C C 61 11.389 21.493 58.024 1.00 46.31 DNAC O ATOM 1155 C5* C C 61 11.957 20.173 57.972 1.00 41.42 DNAC C ATOM 1156 C4* C C 61 13.064 20.117 56.947 1.00 36.24 DNAC C ATOM 1157 O4* C C 61 12.523 20.027 55.605 1.00 35.29 DNAC O ATOM 1158 C3* C C 61 13.986 21.337 56.960 1.00 34.59 DNAC C ATOM 1159 O3* C C 61 15.335 20.921 56.766 1.00 38.80 DNAC O ATOM 1160 C2* C C 61 13.545 22.115 55.732 1.00 35.48 DNAC C ATOM 1161 C1* C C 61 13.179 20.981 54.793 1.00 33.92 DNAC C ATOM 1162 N1 C C 61 12.293 21.333 53.666 1.00 31.56 DNAC N ATOM 1163 C2 C C 61 12.495 20.700 52.429 1.00 30.29 DNAC C ATOM 1164 O2 C C 61 13.351 19.805 52.342 1.00 29.11 DNAC O ATOM 1165 N3 C C 61 11.749 21.074 51.363 1.00 26.47 DNAC N ATOM 1166 C4 C C 61 10.824 22.025 51.499 1.00 25.61 DNAC C ATOM 1167 N4 C C 61 10.141 22.391 50.410 1.00 23.03 DNAC N ATOM 1168 C5 C C 61 10.564 22.651 52.756 1.00 26.60 DNAC C ATOM 1169 C6 C C 61 11.314 22.278 53.803 1.00 29.41 DNAC C TER 1170 C C 61 HETATM 1171 O HOH 301 2.967 18.659 28.456 1.00 25.99 WAT O HETATM 1172 O HOH 302 9.471 17.882 27.196 1.00 32.45 WAT O HETATM 1173 O HOH 303 13.374 18.942 31.007 1.00 23.09 WAT O HETATM 1174 O HOH 304 13.112 18.530 36.943 1.00 33.56 WAT O HETATM 1175 O HOH 305 12.076 16.163 38.777 1.00 26.61 WAT O HETATM 1176 O HOH 306 12.005 13.890 42.723 1.00 22.39 WAT O HETATM 1177 O HOH 307 11.211 11.369 43.195 1.00 19.97 WAT O HETATM 1178 O HOH 308 10.126 10.864 45.595 1.00 23.66 WAT O HETATM 1179 O HOH 309 9.420 7.985 51.423 1.00 17.73 WAT O HETATM 1180 O HOH 310 7.603 5.765 51.732 1.00 18.63 WAT O HETATM 1181 O HOH 311 10.053 5.540 54.388 1.00 25.47 WAT O HETATM 1182 O HOH 312 8.619 6.452 56.714 1.00 33.43 WAT O HETATM 1183 O HOH 313 11.031 7.551 57.578 1.00 37.83 WAT O HETATM 1184 O HOH 314 5.526 4.994 57.821 1.00 38.52 WAT O HETATM 1185 O HOH 315 3.218 4.272 55.923 1.00 32.29 WAT O HETATM 1186 O HOH 316 2.068 6.642 54.947 1.00 31.36 WAT O HETATM 1187 O HOH 317 -0.651 7.443 56.154 1.00 50.69 WAT O HETATM 1188 O HOH 318 -3.005 6.041 56.293 1.00 27.17 WAT O HETATM 1189 O HOH 319 -3.518 1.251 51.390 1.00 33.08 WAT O HETATM 1190 O HOH 320 -4.873 -1.305 51.820 1.00 38.00 WAT O HETATM 1191 O HOH 321 2.991 0.462 49.983 1.00 33.14 WAT O HETATM 1192 O HOH 322 1.839 2.593 48.066 1.00 27.71 WAT O HETATM 1193 O HOH 323 2.971 1.268 44.154 1.00 19.08 WAT O HETATM 1194 O HOH 324 4.464 2.701 42.236 1.00 18.68 WAT O HETATM 1195 O HOH 325 7.392 -0.024 44.466 1.00 30.91 WAT O HETATM 1196 O HOH 326 2.016 -1.853 47.432 1.00 31.87 WAT O HETATM 1197 O HOH 327 8.052 -5.780 50.500 1.00 40.15 WAT O HETATM 1198 O HOH 328 12.884 -3.179 53.058 1.00 32.22 WAT O HETATM 1199 O HOH 329 11.652 -2.303 58.093 1.00 51.69 WAT O HETATM 1200 O HOH 330 3.672 -1.989 61.010 1.00 31.28 WAT O HETATM 1201 O HOH 331 0.993 -2.315 59.559 1.00 29.32 WAT O HETATM 1202 O HOH 332 6.605 4.142 68.235 1.00 55.17 WAT O HETATM 1203 O HOH 333 3.122 9.369 68.670 1.00 52.85 WAT O HETATM 1204 O HOH 334 2.731 6.617 73.018 1.00 37.96 WAT O HETATM 1205 O HOH 335 -4.476 8.883 73.080 1.00 56.09 WAT O HETATM 1206 O HOH 336 -4.294 14.217 51.467 1.00 33.24 WAT O HETATM 1207 O HOH 337 -7.703 11.213 47.757 1.00 29.97 WAT O HETATM 1208 O HOH 338 -5.981 9.678 42.956 1.00 52.26 WAT O HETATM 1209 O HOH 339 -5.665 6.013 42.320 1.00 34.20 WAT O HETATM 1210 O HOH 340 -7.073 3.064 41.046 1.00 34.20 WAT O HETATM 1211 O HOH 341 -5.755 -0.245 41.448 1.00 38.36 WAT O HETATM 1212 O HOH 342 -9.346 0.645 36.581 1.00 28.61 WAT O HETATM 1213 O HOH 343 -11.541 -3.152 38.667 1.00 25.71 WAT O HETATM 1214 O HOH 344 -13.009 -2.865 40.896 1.00 25.96 WAT O HETATM 1215 O HOH 345 -13.140 1.478 42.620 1.00 33.88 WAT O HETATM 1216 O HOH 346 2.579 7.935 42.506 1.00 26.66 WAT O HETATM 1217 O HOH 347 2.792 8.510 45.453 1.00 22.05 WAT O HETATM 1218 O HOH 348 5.633 9.140 45.708 1.00 21.67 WAT O HETATM 1219 O HOH 349 5.294 11.749 45.847 1.00 26.87 WAT O HETATM 1220 O HOH 350 3.259 12.582 44.213 1.00 19.93 WAT O HETATM 1221 O HOH 351 4.067 11.518 40.221 1.00 20.21 WAT O HETATM 1222 O HOH 352 4.378 8.732 39.144 1.00 20.91 WAT O HETATM 1223 O HOH 353 8.836 4.725 37.095 1.00 32.70 WAT O HETATM 1224 O HOH 354 10.728 4.177 39.356 1.00 25.48 WAT O HETATM 1225 O HOH 355 12.961 4.946 37.069 1.00 26.72 WAT O HETATM 1226 O HOH 356 13.158 1.804 36.466 1.00 34.33 WAT O HETATM 1227 O HOH 357 12.978 0.177 39.173 1.00 38.59 WAT O HETATM 1228 O HOH 358 9.105 7.751 31.411 1.00 43.70 WAT O HETATM 1229 O HOH 359 12.891 10.591 30.919 1.00 27.82 WAT O HETATM 1230 O HOH 360 14.951 12.356 30.709 1.00 38.78 WAT O HETATM 1231 O HOH 361 17.204 12.933 33.204 1.00 53.57 WAT O HETATM 1232 O HOH 362 14.280 11.950 37.841 1.00 34.85 WAT O HETATM 1233 O HOH 363 18.656 12.931 40.684 1.00 40.16 WAT O HETATM 1234 O HOH 364 17.798 8.914 49.711 1.00 28.37 WAT O HETATM 1235 O HOH 365 19.660 6.294 48.847 1.00 42.38 WAT O HETATM 1236 O HOH 366 21.430 2.636 51.953 1.00 41.45 WAT O HETATM 1237 O HOH 367 17.368 2.939 54.996 1.00 35.27 WAT O HETATM 1238 O HOH 368 13.204 5.839 53.991 1.00 29.54 WAT O HETATM 1239 O HOH 369 15.412 10.956 55.307 1.00 32.74 WAT O HETATM 1240 O HOH 370 16.212 12.216 53.176 1.00 32.98 WAT O HETATM 1241 O HOH 371 13.557 16.330 53.146 1.00 53.87 WAT O HETATM 1242 O HOH 372 16.405 17.020 47.902 1.00 39.40 WAT O HETATM 1243 O HOH 373 10.621 17.704 54.693 1.00 27.74 WAT O HETATM 1244 O HOH 374 4.944 13.825 55.161 1.00 29.50 WAT O HETATM 1245 O HOH 375 0.779 14.716 54.843 1.00 28.53 WAT O HETATM 1246 O HOH 376 5.682 22.990 50.706 1.00 34.53 WAT O HETATM 1247 O HOH 377 6.864 22.235 47.870 1.00 19.33 WAT O HETATM 1248 O HOH 378 4.638 20.069 46.235 1.00 19.63 WAT O HETATM 1249 O HOH 379 6.716 18.911 44.459 1.00 21.13 WAT O HETATM 1250 O HOH 380 2.725 20.174 44.017 1.00 35.95 WAT O HETATM 1251 O HOH 381 1.668 22.785 43.840 1.00 32.37 WAT O HETATM 1252 O HOH 382 0.175 25.188 40.172 1.00 37.39 WAT O HETATM 1253 O HOH 383 -4.268 20.725 43.809 1.00 29.91 WAT O HETATM 1254 O HOH 384 -0.821 17.145 43.269 1.00 26.97 WAT O HETATM 1255 O HOH 385 0.155 15.946 41.165 1.00 23.27 WAT O HETATM 1256 O HOH 386 -7.888 15.449 39.464 1.00 34.66 WAT O HETATM 1257 O HOH 387 -1.946 21.433 33.330 1.00 23.13 WAT O HETATM 1258 O HOH 388 2.465 15.520 32.744 1.00 36.61 WAT O HETATM 1259 O HOH 389 4.227 14.297 30.393 1.00 32.02 WAT O HETATM 1260 O HOH 390 8.380 21.908 41.180 1.00 32.32 WAT O HETATM 1261 O HOH 391 10.949 20.710 41.167 1.00 25.99 WAT O HETATM 1262 O HOH 392 11.547 26.538 34.793 1.00 24.92 WAT O HETATM 1263 O HOH 393 -0.145 3.860 49.938 1.00 39.00 WAT O HETATM 1264 O HOH 394 0.736 18.574 44.969 1.00 36.82 WAT O HETATM 1265 O HOH 395 6.922 31.884 32.004 1.00 22.16 WAT O HETATM 1266 O HOH 396 9.321 31.449 34.165 1.00 55.49 WAT O HETATM 1267 O HOH 397 5.118 33.917 38.602 1.00 30.57 WAT O HETATM 1268 O HOH 398 2.882 32.195 40.234 1.00 32.40 WAT O HETATM 1269 O HOH 399 1.438 34.452 32.187 1.00 34.54 WAT O HETATM 1270 O HOH 400 5.062 23.014 60.743 1.00 39.54 WAT O HETATM 1271 O HOH 401 12.824 11.550 56.491 1.00 49.24 WAT O CONECT 41 40 721 CONECT 76 75 721 CONECT 200 198 199 721 CONECT 237 235 236 721 CONECT 299 298 722 CONECT 324 323 722 CONECT 435 433 434 722 CONECT 471 469 470 722 CONECT 529 528 723 CONECT 551 550 723 CONECT 666 664 665 723 CONECT 700 698 699 723 CONECT 721 41 76 200 237 CONECT 722 299 324 435 471 CONECT 723 529 551 666 700 MASTER 235 0 3 3 0 0 0 6 1268 3 15 9 END