HEADER ELECTRON TRANSPORT 08-JAN-97 2FOX TITLE CLOSTRIDIUM BEIJERINCKII FLAVODOXIN: SEMIQUINONE COMPND MOL_ID: 1; COMPND 2 MOLECULE: FLAVODOXIN; COMPND 3 CHAIN: NULL; COMPND 4 BIOLOGICAL_UNIT: MONOMER; COMPND 5 OTHER_DETAILS: SEMIQUINONE SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM BEIJERINCKII KEYWDS ELECTRON TRANSPORT, FLAVOPROTEIN, FMN EXPDTA X-RAY DIFFRACTION AUTHOR M.L.LUDWIG,K.A.PATTRIDGE,A.L.METZGER,M.M.DIXON,M.EREN, AUTHOR 2 Y.FENG,R.SWENSON REVDAT 1 12-MAR-97 2FOX 0 SPRSDE 12-MAR-97 2FOX 4FXN JRNL AUTH M.L.LUDWIG,K.A.PATTRIDGE,A.L.METZGER,M.M.DIXON, JRNL AUTH 2 M.EREN,Y.FENG,R.SWENSON JRNL TITL CONTROL OF OXIDATION-REDUCTION POTENTIALS IN JRNL TITL 2 FLAVODOXIN FROM CLOSTRIDIUM BEIJERINCKII: THE ROLE JRNL TITL 3 OF CONFORMATION CHANGES JRNL REF TO BE PUBLISHED JRNL REFN 0353 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.L.LUDWIG,M.M.DIXON,K.A.PATTRIDGE,R.P.SWENSON REMARK 1 TITL CIS-TRANS ISOMERIZATION OF THE 57-58 PEPTIDE IN REMARK 1 TITL 2 CRYSTALLINE FLAVODOXINS FROM C. BEIJERINCKII REMARK 1 EDIT K.YAGI REMARK 1 REF FLAVINS AND FLAVOPROTEINS 363 1994 REMARK 1 REF 2 1993 : PROCEEDINGS OF THE REMARK 1 REF 3 ELEVENTH INTERNATIONAL REMARK 1 REF 4 SYMPOSIUM, NAGOYA (JAPAN) REMARK 1 REF 5 JULY 27-31, 1993 REMARK 1 PUBL BERLIN : W. DE GRUYTER REMARK 1 REFN ASTM ISBN 3-11-014165-5 2121 REMARK 1 REFERENCE 2 REMARK 1 AUTH M.L.LUDWIG,C.L.LUSCHINSKY REMARK 1 TITL STRUCTURE AND REDOX PROPERTIES OF CLOSTRIDIAL REMARK 1 TITL 2 FLAVODOXIN REMARK 1 EDIT F.MULLER REMARK 1 REF CHEMISTRY AND BIOCHEMISTRY V. 3 427 1992 REMARK 1 REF 2 OF FLAVOENZYMES REMARK 1 PUBL BOCA RATON : CRC PRESS REMARK 1 REFN ASTM 57OJA7 US ISBN 0-8493-4395-X 0771 REMARK 1 REFERENCE 3 REMARK 1 AUTH M.L.LUDWIG,K.A.PATTRIDGE,M.EREN,R.P.SWENSON REMARK 1 TITL STRUCTURAL CHARACTERIZATION OF SITE MUTANTS OF REMARK 1 TITL 2 CLOSTRIDIAL FLAVODOXIN REMARK 1 EDIT B.CURTI,S.RONCHI,G.ZANETTI REMARK 1 REF FLAVINS AND FLAVOPROTEINS 423 1991 REMARK 1 REF 2 1990 : PROCEEDINGS OF THE REMARK 1 REF 3 TENTH INTERNATIONAL REMARK 1 REF 4 SYMPOSIUM, COMO, ITALY, JULY REMARK 1 REF 5 15-20, 1990 REMARK 1 PUBL BERLIN : W. DE GRUYTER REMARK 1 REFN ASTM 57OEAQ ISBN 3-11-012373-8 2118 REMARK 1 REFERENCE 4 REMARK 1 AUTH M.L.LUDWIG,L.M.SCHOPFER,A.L.METZGER,K.A.PATTRIDGE, REMARK 1 AUTH 2 V.MASSEY REMARK 1 TITL STRUCTURE AND OXIDATION-REDUCTION BEHAVIOR OF REMARK 1 TITL 2 1-DEAZA-FMN FLAVODOXINS: MODULATION OF REDOX REMARK 1 TITL 3 POTENTIALS IN FLAVODOXINS REMARK 1 REF BIOCHEMISTRY V. 29 10364 1990 REMARK 1 REFN ASTM BICHAW US ISSN 0006-2960 0033 REMARK 1 REFERENCE 5 REMARK 1 AUTH W.W.SMITH,R.M.BURNETT,G.D.DARLING,M.L.LUDWIG REMARK 1 TITL STRUCTURE OF THE SEMIQUINONE FORM OF FLAVODOXIN REMARK 1 TITL 2 FROM CLOSTRIDIUM MP. EXTENSION OF 1.8 A RESOLUTION REMARK 1 TITL 3 AND SOME COMPARISONS WITH THE OXIDIZED STATE REMARK 1 REF J.MOL.BIOL. V. 117 195 1977 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 0070 REMARK 1 REFERENCE 6 REMARK 1 AUTH M.L.LUDWIG,R.M.BURNETT,G.D.DARLING,S.R.JORDAN, REMARK 1 AUTH 2 D.S.KENDALL,W.W.SMITH REMARK 1 TITL THE STRUCTURE OF CLOSTRIDIUM MP FLAVODOXIN AS A REMARK 1 TITL 2 FUNCTION OF OXIDATION STATE, SOME COMPARISONS OF REMARK 1 TITL 3 THE FMN-BINDING SITES IN OXIDIZED, SEMIQUINONE AND REMARK 1 TITL 4 REDUCED FORMS REMARK 1 EDIT T.P.SINGER REMARK 1 REF FLAVINS AND FLAVOPROTEINS : 393 1976 REMARK 1 REF 2 PROCEEDINGS OF THE FIFTH REMARK 1 REF 3 INTERNATIONAL SYMPOSIUM ON REMARK 1 REF 4 FLAVINS AND FLAVOPROTEINS, REMARK 1 REF 5 SAN FRANCISCO, REMARK 1 REF 6 MARCH 31-APRIL 3, 1975 REMARK 1 PUBL AMSTERDAM : ELSEVIER SCIENTIFIC PUB. CO. REMARK 1 REFN ASTM 34KTA8 ISBN 0-444-41458-4 0991 REMARK 1 REFERENCE 7 REMARK 1 AUTH R.M.BURNETT,G.D.DARLING,D.S.KENDALL,M.E.LEQUESNE, REMARK 1 AUTH 2 S.G.MAYHEW,W.W.SMITH,M.L.LUDWIG REMARK 1 TITL THE STRUCTURE OF THE OXIDIZED FORM OF CLOSTRIDIAL REMARK 1 TITL 2 FLAVODOXIN AT 1.9-A RESOLUTION REMARK 1 REF J.BIOL.CHEM. V. 249 4383 1974 REMARK 1 REFN ASTM JBCHA3 US ISSN 0021-9258 0071 REMARK 1 REFERENCE 8 REMARK 1 AUTH R.D.ANDERSEN,P.A.APGAR,R.M.BURNETT,G.D.DARLING, REMARK 1 AUTH 2 M.E.LEQUESNE,S.G.MAYHEW,M.L.LUDWIG REMARK 1 TITL STRUCTURE OF THE RADICAL FORM OF CLOSTRIDIAL REMARK 1 TITL 2 FLAVODOXIN: A NEW MOLECULAR MODEL REMARK 1 REF PROC.NAT.ACAD.SCI.USA V. 69 3189 1972 REMARK 1 REFN ASTM PNASA6 US ISSN 0027-8424 0040 REMARK 1 REFERENCE 9 REMARK 1 AUTH M.L.LUDWIG,R.D.ANDERSEN,S.G.MAYHEW,V.MASSEY REMARK 1 TITL THE STRUCTURE OF A CLOSTRIDIAL FLAVODOXIN. REMARK 1 TITL 2 I. CRYSTALLOGRAPHIC CHARACTERIZATION OF THE REMARK 1 TITL 3 OXIDIZED AND SEMIQUINONE FORMS REMARK 1 REF J.BIOL.CHEM. V. 244 6047 1969 REMARK 1 REFN ASTM JBCHA3 US ISSN 0021-9258 0071 REMARK 2 REMARK 2 RESOLUTION. 1.8 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.8 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.0 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.0 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 0.0 REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 14368 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING SET) : 0.195 REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1073 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 31 REMARK 3 SOLVENT ATOMS : 98 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 19.65 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL 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) : 0.010 REMARK 3 BOND ANGLES (DEGREES) : 1.391 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 23.373 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.304 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL 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 : NULL REMARK 3 PARAMETER FILE 2 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 TOPOLOGY FILE 2 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2FOX 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 : FEB-1975 REMARK 200 TEMPERATURE (KELVIN) : 277 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : NULL REMARK 200 DETECTOR MANUFACTURER : NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 14368 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.8 REMARK 200 RESOLUTION RANGE LOW (A) : 10.0 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.0 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.7 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NULL 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: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+1/3 REMARK 290 3555 Y-X,-X,Z+2/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,2/3-Z REMARK 290 6555 -X,Y-X,1/3-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 -0.500000 -0.866018 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866033 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 23.66080 REMARK 290 SMTRY1 3 -0.500000 0.866018 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866033 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 47.32160 REMARK 290 SMTRY1 4 -0.500000 0.866018 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866033 0.500000 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 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 47.32160 REMARK 290 SMTRY1 6 -0.500000 -0.866018 0.000000 0.00000 REMARK 290 SMTRY2 6 -0.866033 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 23.66080 REMARK 290 REMARK 290 REMARK: NULL DBREF 2FOX 1 138 SWS P00322 FLAV_CLOBE 1 138 SEQRES 1 138 MET LYS ILE VAL TYR TRP SER GLY THR GLY ASN THR GLU SEQRES 2 138 LYS MET ALA GLU LEU ILE ALA LYS GLY ILE ILE GLU SER SEQRES 3 138 GLY LYS ASP VAL ASN THR ILE ASN VAL SER ASP VAL ASN SEQRES 4 138 ILE ASP GLU LEU LEU ASN GLU ASP ILE LEU ILE LEU GLY SEQRES 5 138 CYS SER ALA MET GLY ASP GLU VAL LEU GLU GLU SER GLU SEQRES 6 138 PHE GLU PRO PHE ILE GLU GLU ILE SER THR LYS ILE SER SEQRES 7 138 GLY LYS LYS VAL ALA LEU PHE GLY SER TYR GLY TRP GLY SEQRES 8 138 ASP GLY LYS TRP MET ARG ASP PHE GLU GLU ARG MET ASN SEQRES 9 138 GLY TYR GLY CYS VAL VAL VAL GLU THR PRO LEU ILE VAL SEQRES 10 138 GLN ASN GLU PRO ASP GLU ALA GLU GLN ASP CYS ILE GLU SEQRES 11 138 PHE GLY LYS LYS ILE ALA ASN ILE HET FMN 139 31 HETNAM FMN FLAVIN MONONUCLEOTIDE FORMUL 2 FMN C17 H21 N4 O9 P1 FORMUL 3 HOH *98(H2 O1) HELIX 1 1 ASN 11 GLU 25 1 15 HELIX 2 2 ILE 40 ASN 45 1 6 HELIX 3 3 PHE 66 ILE 73 1 8 HELIX 4 4 LYS 94 GLY 105 1 12 HELIX 5 5 GLU 125 ILE 135 1 11 SHEET 1 A 5 ASN 31 ASN 34 0 SHEET 2 A 5 LYS 2 TRP 6 1 N ILE 3 O ASN 31 SHEET 3 A 5 ILE 48 CYS 53 1 N ILE 50 O LYS 2 SHEET 4 A 5 LYS 81 TYR 88 1 N LYS 81 O LEU 49 SHEET 5 A 5 LEU 115 GLN 118 1 N LEU 115 O GLY 86 CRYST1 61.630 61.630 70.980 90.00 90.00 120.00 P 31 2 1 6 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 0.016226 0.009368 0.000000 0.00000 SCALE2 0.000000 0.018736 0.000000 0.00000 SCALE3 0.000000 0.000000 0.014088 0.00000 ATOM 1 N MET 1 17.208 41.200 15.630 1.00 28.51 N ATOM 2 CA MET 1 18.189 40.272 16.252 1.00 27.29 C ATOM 3 C MET 1 19.009 39.593 15.179 1.00 25.98 C ATOM 4 O MET 1 18.704 39.723 13.988 1.00 27.58 O ATOM 5 CB MET 1 17.462 39.235 17.107 1.00 29.05 C ATOM 6 CG MET 1 17.227 39.710 18.527 1.00 33.52 C ATOM 7 SD MET 1 16.159 38.653 19.489 1.00 35.07 S ATOM 8 CE MET 1 14.679 39.140 18.847 1.00 32.65 C ATOM 9 N LYS 2 20.075 38.911 15.591 1.00 24.09 N ATOM 10 CA LYS 2 20.938 38.198 14.659 1.00 20.57 C ATOM 11 C LYS 2 21.213 36.774 15.128 1.00 17.46 C ATOM 12 O LYS 2 21.412 36.524 16.318 1.00 16.78 O ATOM 13 CB LYS 2 22.261 38.947 14.458 1.00 23.13 C ATOM 14 CG LYS 2 22.144 40.208 13.600 1.00 26.33 C ATOM 15 CD LYS 2 23.487 40.922 13.450 1.00 29.11 C ATOM 16 CE LYS 2 23.374 42.151 12.562 0.00 28.13 C ATOM 17 NZ LYS 2 22.439 43.165 13.121 0.00 28.45 N ATOM 18 N ILE 3 21.173 35.846 14.182 1.00 14.66 N ATOM 19 CA ILE 3 21.444 34.439 14.450 1.00 13.28 C ATOM 20 C ILE 3 22.646 34.112 13.563 1.00 12.19 C ATOM 21 O ILE 3 22.583 34.313 12.362 1.00 12.47 O ATOM 22 CB ILE 3 20.244 33.546 14.032 1.00 12.51 C ATOM 23 CG1 ILE 3 19.025 33.854 14.911 1.00 11.75 C ATOM 24 CG2 ILE 3 20.610 32.065 14.127 1.00 11.04 C ATOM 25 CD1 ILE 3 17.751 33.234 14.391 1.00 12.15 C ATOM 26 N VAL 4 23.752 33.689 14.160 1.00 10.61 N ATOM 27 CA VAL 4 24.957 33.340 13.406 1.00 11.85 C ATOM 28 C VAL 4 25.145 31.831 13.562 1.00 10.81 C ATOM 29 O VAL 4 25.051 31.306 14.671 1.00 10.45 O ATOM 30 CB VAL 4 26.197 34.097 13.953 1.00 13.38 C ATOM 31 CG1 VAL 4 27.463 33.685 13.185 1.00 13.25 C ATOM 32 CG2 VAL 4 25.979 35.606 13.832 1.00 11.80 C ATOM 33 N TYR 5 25.410 31.124 12.473 1.00 11.88 N ATOM 34 CA TYR 5 25.549 29.669 12.588 1.00 11.24 C ATOM 35 C TYR 5 26.508 29.078 11.566 1.00 9.68 C ATOM 36 O TYR 5 26.935 29.755 10.639 1.00 11.02 O ATOM 37 CB TYR 5 24.167 29.016 12.379 1.00 10.08 C ATOM 38 CG TYR 5 23.681 29.140 10.951 1.00 11.38 C ATOM 39 CD1 TYR 5 23.044 30.300 10.508 1.00 13.21 C ATOM 40 CD2 TYR 5 23.975 28.159 10.005 1.00 11.99 C ATOM 41 CE1 TYR 5 22.729 30.487 9.162 1.00 12.12 C ATOM 42 CE2 TYR 5 23.669 28.337 8.659 1.00 13.98 C ATOM 43 CZ TYR 5 23.051 29.502 8.241 1.00 15.99 C ATOM 44 OH TYR 5 22.799 29.697 6.900 1.00 19.31 O ATOM 45 N TRP 6 26.880 27.823 11.781 1.00 9.62 N ATOM 46 CA TRP 6 27.684 27.080 10.823 1.00 8.94 C ATOM 47 C TRP 6 26.903 25.764 10.650 1.00 8.16 C ATOM 48 O TRP 6 26.408 25.205 11.635 1.00 9.08 O ATOM 49 CB TRP 6 29.102 26.771 11.323 1.00 9.02 C ATOM 50 CG TRP 6 29.913 26.071 10.243 1.00 8.54 C ATOM 51 CD1 TRP 6 30.587 26.669 9.214 1.00 10.43 C ATOM 52 CD2 TRP 6 29.993 24.650 9.998 1.00 10.24 C ATOM 53 NE1 TRP 6 31.057 25.716 8.333 1.00 11.14 N ATOM 54 CE2 TRP 6 30.711 24.471 8.789 1.00 11.36 C ATOM 55 CE3 TRP 6 29.520 23.511 10.679 1.00 10.33 C ATOM 56 CZ2 TRP 6 30.969 23.195 8.241 1.00 11.17 C ATOM 57 CZ3 TRP 6 29.780 22.240 10.130 1.00 10.39 C ATOM 58 CH2 TRP 6 30.499 22.101 8.923 1.00 10.32 C ATOM 59 N SER 7 26.766 25.296 9.413 1.00 9.16 N ATOM 60 CA SER 7 26.072 24.041 9.130 1.00 9.32 C ATOM 61 C SER 7 26.767 23.337 7.958 1.00 10.64 C ATOM 62 O SER 7 26.985 23.944 6.906 1.00 11.74 O ATOM 63 CB SER 7 24.611 24.319 8.794 1.00 10.13 C ATOM 64 OG SER 7 23.878 23.117 8.632 1.00 9.87 O ATOM 65 N GLY 8 27.098 22.057 8.134 1.00 9.56 N ATOM 66 CA GLY 8 27.785 21.306 7.096 1.00 8.77 C ATOM 67 C GLY 8 26.875 20.627 6.108 1.00 9.61 C ATOM 68 O GLY 8 27.230 20.479 4.947 1.00 10.68 O ATOM 69 N THR 9 25.722 20.159 6.573 1.00 10.51 N ATOM 70 CA THR 9 24.770 19.492 5.677 1.00 11.96 C ATOM 71 C THR 9 23.410 20.196 5.626 1.00 11.92 C ATOM 72 O THR 9 22.550 19.831 4.825 1.00 12.54 O ATOM 73 CB THR 9 24.546 18.000 6.045 1.00 11.36 C ATOM 74 OG1 THR 9 23.750 17.894 7.235 1.00 10.54 O ATOM 75 CG2 THR 9 25.870 17.296 6.256 1.00 9.42 C ATOM 76 N GLY 10 23.204 21.180 6.497 1.00 12.14 N ATOM 77 CA GLY 10 21.948 21.912 6.493 1.00 10.55 C ATOM 78 C GLY 10 21.055 21.696 7.696 1.00 8.85 C ATOM 79 O GLY 10 20.024 22.349 7.800 1.00 11.22 O ATOM 80 N ASN 11 21.448 20.837 8.627 1.00 8.54 N ATOM 81 CA ASN 11 20.621 20.574 9.805 1.00 9.36 C ATOM 82 C ASN 11 20.559 21.767 10.756 1.00 10.97 C ATOM 83 O ASN 11 19.467 22.207 11.136 1.00 11.29 O ATOM 84 CB ASN 11 21.081 19.304 10.528 1.00 8.55 C ATOM 85 CG ASN 11 20.892 18.062 9.688 1.00 9.12 C ATOM 86 OD1 ASN 11 21.535 17.040 9.919 1.00 14.43 O ATOM 87 ND2 ASN 11 20.020 18.142 8.697 1.00 6.79 N ATOM 88 N THR 12 21.719 22.304 11.128 1.00 9.62 N ATOM 89 CA THR 12 21.774 23.479 11.997 1.00 9.43 C ATOM 90 C THR 12 21.198 24.709 11.266 1.00 9.25 C ATOM 91 O THR 12 20.574 25.567 11.889 1.00 9.92 O ATOM 92 CB THR 12 23.216 23.741 12.489 1.00 7.22 C ATOM 93 OG1 THR 12 23.677 22.571 13.174 1.00 8.87 O ATOM 94 CG2 THR 12 23.260 24.902 13.464 1.00 6.94 C ATOM 95 N GLU 13 21.351 24.759 9.943 1.00 10.08 N ATOM 96 CA GLU 13 20.815 25.864 9.144 1.00 11.87 C ATOM 97 C GLU 13 19.289 25.879 9.251 1.00 11.93 C ATOM 98 O GLU 13 18.676 26.938 9.416 1.00 11.39 O ATOM 99 CB GLU 13 21.232 25.739 7.676 1.00 13.43 C ATOM 100 CG GLU 13 20.766 26.907 6.797 1.00 19.86 C ATOM 101 CD GLU 13 21.150 26.757 5.322 1.00 25.37 C ATOM 102 OE1 GLU 13 21.760 25.734 4.930 1.00 30.69 O ATOM 103 OE2 GLU 13 20.827 27.674 4.540 1.00 32.62 O ATOM 104 N LYS 14 18.685 24.695 9.165 1.00 13.03 N ATOM 105 CA LYS 14 17.242 24.556 9.289 1.00 12.59 C ATOM 106 C LYS 14 16.795 24.971 10.699 1.00 12.21 C ATOM 107 O LYS 14 15.790 25.671 10.845 1.00 12.73 O ATOM 108 CB LYS 14 16.813 23.123 8.981 1.00 13.76 C ATOM 109 CG LYS 14 15.316 22.968 8.782 1.00 19.46 C ATOM 110 CD LYS 14 14.963 21.572 8.314 1.00 24.76 C ATOM 111 CE LYS 14 13.461 21.411 8.152 0.00 23.05 C ATOM 112 NZ LYS 14 13.090 20.019 7.775 0.00 23.69 N ATOM 113 N MET 15 17.539 24.573 11.734 1.00 10.97 N ATOM 114 CA MET 15 17.187 24.961 13.100 1.00 10.29 C ATOM 115 C MET 15 17.179 26.491 13.201 1.00 11.04 C ATOM 116 O MET 15 16.288 27.063 13.821 1.00 10.70 O ATOM 117 CB MET 15 18.198 24.409 14.109 1.00 11.25 C ATOM 118 CG MET 15 18.199 22.905 14.265 1.00 9.06 C ATOM 119 SD MET 15 19.379 22.364 15.486 1.00 10.81 S ATOM 120 CE MET 15 18.727 22.992 16.972 1.00 9.35 C ATOM 121 N ALA 16 18.176 27.133 12.588 1.00 9.93 N ATOM 122 CA ALA 16 18.312 28.590 12.589 1.00 9.02 C ATOM 123 C ALA 16 17.082 29.251 11.976 1.00 10.41 C ATOM 124 O ALA 16 16.535 30.189 12.552 1.00 9.64 O ATOM 125 CB ALA 16 19.574 29.009 11.832 1.00 9.15 C ATOM 126 N GLU 17 16.633 28.742 10.830 1.00 10.68 N ATOM 127 CA GLU 17 15.444 29.265 10.154 1.00 13.76 C ATOM 128 C GLU 17 14.195 29.185 11.034 1.00 13.02 C ATOM 129 O GLU 17 13.385 30.118 11.062 1.00 12.94 O ATOM 130 CB GLU 17 15.179 28.496 8.858 1.00 16.77 C ATOM 131 CG GLU 17 16.179 28.763 7.739 1.00 27.99 C ATOM 132 CD GLU 17 15.958 27.873 6.509 1.00 34.65 C ATOM 133 OE1 GLU 17 14.812 27.408 6.287 1.00 38.29 O ATOM 134 OE2 GLU 17 16.937 27.636 5.762 1.00 38.48 O ATOM 135 N LEU 18 14.026 28.057 11.715 1.00 10.71 N ATOM 136 CA LEU 18 12.880 27.836 12.596 1.00 11.40 C ATOM 137 C LEU 18 12.958 28.725 13.821 1.00 11.33 C ATOM 138 O LEU 18 11.942 29.220 14.303 1.00 10.91 O ATOM 139 CB LEU 18 12.818 26.372 13.011 1.00 12.96 C ATOM 140 CG LEU 18 12.566 25.441 11.829 1.00 13.89 C ATOM 141 CD1 LEU 18 12.859 24.003 12.219 1.00 16.61 C ATOM 142 CD2 LEU 18 11.128 25.617 11.373 1.00 17.97 C ATOM 143 N ILE 19 14.163 28.907 14.345 1.00 10.36 N ATOM 144 CA ILE 19 14.355 29.789 15.489 1.00 11.48 C ATOM 145 C ILE 19 13.992 31.233 15.038 1.00 10.52 C ATOM 146 O ILE 19 13.328 31.969 15.763 1.00 12.54 O ATOM 147 CB ILE 19 15.824 29.707 16.024 1.00 9.58 C ATOM 148 CG1 ILE 19 16.086 28.318 16.622 1.00 8.53 C ATOM 149 CG2 ILE 19 16.075 30.779 17.088 1.00 10.21 C ATOM 150 CD1 ILE 19 17.530 28.095 17.082 1.00 7.95 C ATOM 151 N ALA 20 14.413 31.615 13.834 1.00 10.88 N ATOM 152 CA ALA 20 14.111 32.942 13.285 1.00 11.42 C ATOM 153 C ALA 20 12.592 33.096 13.143 1.00 13.26 C ATOM 154 O ALA 20 12.030 34.128 13.502 1.00 11.34 O ATOM 155 CB ALA 20 14.786 33.136 11.937 1.00 10.21 C ATOM 156 N LYS 21 11.941 32.049 12.641 1.00 12.60 N ATOM 157 CA LYS 21 10.492 32.043 12.472 1.00 14.06 C ATOM 158 C LYS 21 9.814 32.344 13.814 1.00 14.41 C ATOM 159 O LYS 21 8.875 33.138 13.861 1.00 14.84 O ATOM 160 CB LYS 21 10.036 30.692 11.905 1.00 15.51 C ATOM 161 CG LYS 21 8.539 30.542 11.714 1.00 22.50 C ATOM 162 CD LYS 21 8.212 29.348 10.824 1.00 25.93 C ATOM 163 CE LYS 21 6.705 29.133 10.705 1.00 30.35 C ATOM 164 NZ LYS 21 6.364 28.285 9.524 1.00 32.91 N ATOM 165 N GLY 22 10.316 31.752 14.901 1.00 11.31 N ATOM 166 CA GLY 22 9.754 31.998 16.220 1.00 12.50 C ATOM 167 C GLY 22 9.901 33.447 16.678 1.00 13.81 C ATOM 168 O GLY 22 8.984 34.026 17.285 1.00 12.87 O ATOM 169 N ILE 23 11.054 34.041 16.383 1.00 13.29 N ATOM 170 CA ILE 23 11.318 35.430 16.757 1.00 12.89 C ATOM 171 C ILE 23 10.407 36.354 15.960 1.00 12.34 C ATOM 172 O ILE 23 9.801 37.272 16.523 1.00 14.78 O ATOM 173 CB ILE 23 12.794 35.800 16.530 1.00 12.74 C ATOM 174 CG1 ILE 23 13.652 35.112 17.598 1.00 12.84 C ATOM 175 CG2 ILE 23 12.969 37.310 16.552 1.00 13.60 C ATOM 176 CD1 ILE 23 15.138 35.233 17.371 1.00 13.46 C ATOM 177 N ILE 24 10.270 36.070 14.672 1.00 10.29 N ATOM 178 CA ILE 24 9.414 36.854 13.797 1.00 10.42 C ATOM 179 C ILE 24 7.947 36.737 14.218 1.00 12.60 C ATOM 180 O ILE 24 7.243 37.740 14.277 1.00 14.22 O ATOM 181 CB ILE 24 9.599 36.428 12.336 1.00 11.34 C ATOM 182 CG1 ILE 24 11.048 36.683 11.929 1.00 12.97 C ATOM 183 CG2 ILE 24 8.644 37.198 11.415 1.00 12.67 C ATOM 184 CD1 ILE 24 11.369 36.274 10.533 1.00 15.95 C ATOM 185 N GLU 25 7.496 35.535 14.576 1.00 10.82 N ATOM 186 CA GLU 25 6.107 35.348 15.000 1.00 12.07 C ATOM 187 C GLU 25 5.829 36.141 16.266 1.00 15.12 C ATOM 188 O GLU 25 4.676 36.492 16.552 1.00 14.62 O ATOM 189 CB GLU 25 5.785 33.872 15.233 1.00 10.80 C ATOM 190 CG GLU 25 5.750 33.051 13.949 1.00 11.90 C ATOM 191 CD GLU 25 5.232 31.641 14.162 1.00 10.71 C ATOM 192 OE1 GLU 25 5.350 31.119 15.274 1.00 10.86 O ATOM 193 OE2 GLU 25 4.705 31.054 13.205 1.00 16.11 O ATOM 194 N SER 26 6.885 36.388 17.038 1.00 14.85 N ATOM 195 CA SER 26 6.777 37.163 18.257 1.00 18.30 C ATOM 196 C SER 26 6.680 38.662 17.950 1.00 18.19 C ATOM 197 O SER 26 6.584 39.471 18.870 1.00 20.57 O ATOM 198 CB SER 26 7.967 36.890 19.177 1.00 20.12 C ATOM 199 OG SER 26 7.944 35.555 19.645 1.00 24.08 O ATOM 200 N GLY 27 6.735 39.018 16.666 1.00 18.65 N ATOM 201 CA GLY 27 6.632 40.403 16.244 1.00 20.54 C ATOM 202 C GLY 27 7.936 41.158 16.063 1.00 22.43 C ATOM 203 O GLY 27 7.921 42.356 15.745 1.00 22.20 O ATOM 204 N LYS 28 9.062 40.467 16.250 1.00 23.04 N ATOM 205 CA LYS 28 10.382 41.077 16.119 1.00 22.36 C ATOM 206 C LYS 28 11.079 40.646 14.835 1.00 22.72 C ATOM 207 O LYS 28 10.767 39.608 14.268 1.00 22.25 O ATOM 208 CB LYS 28 11.252 40.703 17.315 1.00 22.07 C ATOM 209 CG LYS 28 10.812 41.288 18.635 1.00 25.54 C ATOM 210 CD LYS 28 11.790 40.884 19.729 1.00 30.69 C ATOM 211 CE LYS 28 11.626 41.686 21.025 1.00 34.57 C ATOM 212 NZ LYS 28 10.349 41.410 21.740 1.00 36.41 N ATOM 213 N ASP 29 12.009 41.463 14.357 1.00 23.90 N ATOM 214 CA ASP 29 12.745 41.123 13.153 1.00 24.63 C ATOM 215 C ASP 29 14.023 40.373 13.536 1.00 22.57 C ATOM 216 O ASP 29 14.510 40.487 14.664 1.00 20.37 O ATOM 217 CB ASP 29 13.103 42.373 12.355 1.00 29.89 C ATOM 218 CG ASP 29 13.757 42.038 11.019 1.00 36.39 C ATOM 219 OD1 ASP 29 13.307 41.075 10.341 1.00 40.19 O ATOM 220 OD2 ASP 29 14.737 42.728 10.656 1.00 42.81 O ATOM 221 N VAL 30 14.582 39.637 12.585 1.00 21.63 N ATOM 222 CA VAL 30 15.797 38.872 12.837 1.00 23.16 C ATOM 223 C VAL 30 16.462 38.465 11.522 1.00 22.91 C ATOM 224 O VAL 30 15.785 38.235 10.517 1.00 24.29 O ATOM 225 CB VAL 30 15.491 37.605 13.720 1.00 23.30 C ATOM 226 CG1 VAL 30 14.492 36.684 13.026 1.00 22.45 C ATOM 227 CG2 VAL 30 16.777 36.855 14.057 1.00 24.18 C ATOM 228 N ASN 31 17.792 38.458 11.510 1.00 23.34 N ATOM 229 CA ASN 31 18.536 38.060 10.320 1.00 24.22 C ATOM 230 C ASN 31 19.408 36.887 10.653 1.00 19.77 C ATOM 231 O ASN 31 20.006 36.854 11.721 1.00 17.02 O ATOM 232 CB ASN 31 19.412 39.196 9.806 1.00 29.22 C ATOM 233 CG ASN 31 18.610 40.260 9.113 1.00 36.80 C ATOM 234 OD1 ASN 31 18.436 41.360 9.642 1.00 41.39 O ATOM 235 ND2 ASN 31 18.070 39.928 7.938 1.00 39.72 N ATOM 236 N THR 32 19.410 35.894 9.771 1.00 20.06 N ATOM 237 CA THR 32 20.239 34.716 9.965 1.00 21.31 C ATOM 238 C THR 32 21.473 34.879 9.075 1.00 20.07 C ATOM 239 O THR 32 21.364 35.144 7.875 1.00 20.19 O ATOM 240 CB THR 32 19.477 33.396 9.671 1.00 22.30 C ATOM 241 OG1 THR 32 19.109 33.336 8.289 1.00 28.02 O ATOM 242 CG2 THR 32 18.219 33.302 10.539 1.00 22.07 C ATOM 243 N ILE 33 22.641 34.748 9.686 1.00 19.24 N ATOM 244 CA ILE 33 23.922 34.927 9.018 1.00 18.65 C ATOM 245 C ILE 33 24.817 33.696 9.160 1.00 17.63 C ATOM 246 O ILE 33 25.011 33.176 10.268 1.00 16.54 O ATOM 247 CB ILE 33 24.689 36.102 9.675 1.00 19.07 C ATOM 248 CG1 ILE 33 23.791 37.329 9.790 1.00 23.31 C ATOM 249 CG2 ILE 33 25.909 36.448 8.890 1.00 21.10 C ATOM 250 CD1 ILE 33 24.020 38.107 11.069 1.00 24.79 C ATOM 251 N ASN 34 25.371 33.243 8.038 1.00 17.30 N ATOM 252 CA ASN 34 26.304 32.121 8.054 1.00 18.02 C ATOM 253 C ASN 34 27.582 32.715 8.678 1.00 16.41 C ATOM 254 O ASN 34 27.934 33.863 8.397 1.00 16.03 O ATOM 255 CB ASN 34 26.589 31.639 6.627 1.00 18.69 C ATOM 256 CG ASN 34 27.318 30.312 6.597 1.00 23.12 C ATOM 257 OD1 ASN 34 28.530 30.252 6.810 1.00 24.68 O ATOM 258 ND2 ASN 34 26.584 29.235 6.332 1.00 25.61 N ATOM 259 N VAL 35 28.269 31.959 9.521 1.00 14.73 N ATOM 260 CA VAL 35 29.479 32.460 10.160 1.00 15.90 C ATOM 261 C VAL 35 30.517 33.046 9.181 1.00 19.81 C ATOM 262 O VAL 35 31.224 33.998 9.530 1.00 21.27 O ATOM 263 CB VAL 35 30.131 31.385 11.056 1.00 13.35 C ATOM 264 CG1 VAL 35 30.658 30.253 10.222 1.00 10.99 C ATOM 265 CG2 VAL 35 31.215 31.991 11.912 1.00 13.24 C ATOM 266 N SER 36 30.564 32.544 7.948 1.00 20.28 N ATOM 267 CA SER 36 31.530 33.055 6.976 1.00 25.05 C ATOM 268 C SER 36 31.224 34.476 6.461 1.00 26.49 C ATOM 269 O SER 36 32.116 35.169 5.954 1.00 27.13 O ATOM 270 CB SER 36 31.677 32.090 5.794 1.00 24.47 C ATOM 271 OG SER 36 30.485 31.988 5.039 1.00 27.33 O ATOM 272 N ASP 37 29.975 34.908 6.611 1.00 26.96 N ATOM 273 CA ASP 37 29.552 36.225 6.148 1.00 27.26 C ATOM 274 C ASP 37 29.291 37.201 7.292 1.00 26.81 C ATOM 275 O ASP 37 28.734 38.274 7.068 1.00 29.25 O ATOM 276 CB ASP 37 28.274 36.094 5.310 1.00 28.53 C ATOM 277 CG ASP 37 28.438 35.173 4.113 1.00 30.98 C ATOM 278 OD1 ASP 37 29.483 35.245 3.430 1.00 34.71 O ATOM 279 OD2 ASP 37 27.505 34.386 3.837 1.00 35.33 O ATOM 280 N VAL 38 29.683 36.835 8.509 1.00 25.76 N ATOM 281 CA VAL 38 29.440 37.679 9.673 1.00 25.61 C ATOM 282 C VAL 38 30.398 38.870 9.792 1.00 27.56 C ATOM 283 O VAL 38 31.555 38.812 9.371 1.00 27.73 O ATOM 284 CB VAL 38 29.461 36.842 11.002 1.00 24.01 C ATOM 285 CG1 VAL 38 30.884 36.453 11.380 1.00 23.11 C ATOM 286 CG2 VAL 38 28.798 37.604 12.128 1.00 23.31 C ATOM 287 N ASN 39 29.881 39.969 10.320 1.00 28.81 N ATOM 288 CA ASN 39 30.676 41.161 10.540 1.00 31.39 C ATOM 289 C ASN 39 30.737 41.293 12.054 1.00 30.83 C ATOM 290 O ASN 39 29.746 41.653 12.691 1.00 30.21 O ATOM 291 CB ASN 39 29.998 42.386 9.925 1.00 35.30 C ATOM 292 CG ASN 39 30.777 43.666 10.175 1.00 39.39 C ATOM 293 OD1 ASN 39 30.564 44.355 11.176 1.00 41.23 O ATOM 294 ND2 ASN 39 31.707 43.973 9.282 1.00 41.89 N ATOM 295 N ILE 40 31.884 40.951 12.631 1.00 31.96 N ATOM 296 CA ILE 40 32.068 41.005 14.083 1.00 33.14 C ATOM 297 C ILE 40 31.647 42.342 14.698 1.00 33.47 C ATOM 298 O ILE 40 30.900 42.366 15.679 1.00 32.98 O ATOM 299 CB ILE 40 33.542 40.686 14.477 1.00 33.26 C ATOM 300 CG1 ILE 40 33.952 39.333 13.902 1.00 34.05 C ATOM 301 CG2 ILE 40 33.719 40.658 16.000 1.00 32.50 C ATOM 302 CD1 ILE 40 33.146 38.183 14.433 1.00 35.86 C ATOM 303 N ASP 41 32.091 43.443 14.092 1.00 34.50 N ATOM 304 CA ASP 41 31.788 44.794 14.578 1.00 35.66 C ATOM 305 C ASP 41 30.298 45.017 14.830 1.00 35.32 C ATOM 306 O ASP 41 29.888 45.421 15.925 1.00 34.99 O ATOM 307 CB ASP 41 32.304 45.841 13.586 0.00 35.23 C ATOM 308 CG ASP 41 33.789 45.701 13.306 0.00 35.20 C ATOM 309 OD1 ASP 41 34.159 44.848 12.472 0.00 35.10 O ATOM 310 OD2 ASP 41 34.585 46.445 13.916 0.00 35.10 O ATOM 311 N GLU 42 29.491 44.738 13.814 1.00 36.40 N ATOM 312 CA GLU 42 28.051 44.912 13.909 1.00 38.21 C ATOM 313 C GLU 42 27.419 43.913 14.867 1.00 36.86 C ATOM 314 O GLU 42 26.569 44.281 15.681 1.00 38.19 O ATOM 315 CB GLU 42 27.417 44.821 12.520 1.00 43.00 C ATOM 316 CG GLU 42 27.866 45.961 11.600 1.00 52.17 C ATOM 317 CD GLU 42 27.225 45.945 10.211 1.00 57.28 C ATOM 318 OE1 GLU 42 26.452 45.005 9.896 1.00 60.10 O ATOM 319 OE2 GLU 42 27.504 46.890 9.431 1.00 60.63 O ATOM 320 N LEU 43 27.872 42.666 14.809 1.00 34.07 N ATOM 321 CA LEU 43 27.348 41.619 15.677 1.00 32.13 C ATOM 322 C LEU 43 27.479 41.992 17.154 1.00 30.74 C ATOM 323 O LEU 43 26.560 41.758 17.938 1.00 29.96 O ATOM 324 CB LEU 43 28.073 40.295 15.402 1.00 32.30 C ATOM 325 CG LEU 43 27.745 39.103 16.304 1.00 32.20 C ATOM 326 CD1 LEU 43 26.297 38.673 16.109 1.00 32.82 C ATOM 327 CD2 LEU 43 28.689 37.962 15.994 1.00 30.75 C ATOM 328 N LEU 44 28.591 42.624 17.517 1.00 30.42 N ATOM 329 CA LEU 44 28.832 43.009 18.906 1.00 32.53 C ATOM 330 C LEU 44 27.922 44.105 19.468 1.00 34.01 C ATOM 331 O LEU 44 27.965 44.393 20.662 1.00 34.68 O ATOM 332 CB LEU 44 30.307 43.371 19.116 1.00 32.14 C ATOM 333 CG LEU 44 31.325 42.242 18.916 1.00 33.39 C ATOM 334 CD1 LEU 44 32.718 42.802 19.023 1.00 34.30 C ATOM 335 CD2 LEU 44 31.122 41.124 19.935 1.00 34.14 C ATOM 336 N ASN 45 27.110 44.725 18.618 1.00 36.01 N ATOM 337 CA ASN 45 26.183 45.764 19.084 1.00 39.14 C ATOM 338 C ASN 45 24.843 45.171 19.541 1.00 38.15 C ATOM 339 O ASN 45 24.012 45.860 20.147 1.00 37.78 O ATOM 340 CB ASN 45 25.948 46.820 17.994 1.00 43.66 C ATOM 341 CG ASN 45 26.982 47.945 18.034 1.00 49.66 C ATOM 342 OD1 ASN 45 26.741 49.006 18.627 1.00 52.88 O ATOM 343 ND2 ASN 45 28.144 47.714 17.416 1.00 50.97 N ATOM 344 N GLU 46 24.661 43.879 19.270 1.00 36.22 N ATOM 345 CA GLU 46 23.442 43.148 19.612 1.00 33.81 C ATOM 346 C GLU 46 23.270 42.884 21.099 1.00 32.77 C ATOM 347 O GLU 46 24.233 42.612 21.812 1.00 32.54 O ATOM 348 CB GLU 46 23.402 41.817 18.854 1.00 33.17 C ATOM 349 CG GLU 46 23.146 41.947 17.367 1.00 31.59 C ATOM 350 CD GLU 46 21.759 42.473 17.055 1.00 30.91 C ATOM 351 OE1 GLU 46 20.830 42.269 17.872 1.00 31.41 O ATOM 352 OE2 GLU 46 21.599 43.087 15.983 1.00 33.36 O ATOM 353 N ASP 47 22.026 42.908 21.562 1.00 33.24 N ATOM 354 CA ASP 47 21.769 42.664 22.970 1.00 33.21 C ATOM 355 C ASP 47 21.968 41.179 23.290 1.00 29.77 C ATOM 356 O ASP 47 22.564 40.826 24.313 1.00 28.10 O ATOM 357 CB ASP 47 20.354 43.121 23.347 1.00 40.80 C ATOM 358 CG ASP 47 20.203 43.382 24.852 1.00 48.78 C ATOM 359 OD1 ASP 47 20.861 44.327 25.364 1.00 52.55 O ATOM 360 OD2 ASP 47 19.441 42.641 25.526 1.00 52.35 O ATOM 361 N ILE 48 21.480 40.320 22.397 1.00 26.33 N ATOM 362 CA ILE 48 21.589 38.874 22.566 1.00 22.35 C ATOM 363 C ILE 48 22.285 38.262 21.360 1.00 20.55 C ATOM 364 O ILE 48 21.982 38.619 20.219 1.00 18.73 O ATOM 365 CB ILE 48 20.202 38.214 22.667 1.00 23.09 C ATOM 366 CG1 ILE 48 19.389 38.856 23.788 1.00 24.47 C ATOM 367 CG2 ILE 48 20.354 36.719 22.927 1.00 21.48 C ATOM 368 CD1 ILE 48 17.965 38.349 23.869 1.00 27.42 C ATOM 369 N LEU 49 23.234 37.366 21.614 1.00 19.00 N ATOM 370 CA LEU 49 23.944 36.679 20.534 1.00 19.05 C ATOM 371 C LEU 49 23.344 35.278 20.437 1.00 15.47 C ATOM 372 O LEU 49 23.322 34.547 21.429 1.00 15.78 O ATOM 373 CB LEU 49 25.445 36.562 20.845 1.00 22.28 C ATOM 374 CG LEU 49 26.257 37.844 21.055 1.00 24.45 C ATOM 375 CD1 LEU 49 27.705 37.496 21.346 1.00 25.68 C ATOM 376 CD2 LEU 49 26.157 38.716 19.828 1.00 24.76 C ATOM 377 N ILE 50 22.782 34.942 19.279 1.00 13.54 N ATOM 378 CA ILE 50 22.188 33.615 19.071 1.00 12.40 C ATOM 379 C ILE 50 23.172 32.857 18.168 1.00 10.38 C ATOM 380 O ILE 50 23.329 33.185 16.990 1.00 9.71 O ATOM 381 CB ILE 50 20.783 33.719 18.426 1.00 12.12 C ATOM 382 CG1 ILE 50 19.907 34.691 19.245 1.00 14.04 C ATOM 383 CG2 ILE 50 20.134 32.323 18.363 1.00 11.50 C ATOM 384 CD1 ILE 50 18.671 35.224 18.505 1.00 12.24 C ATOM 385 N LEU 51 23.847 31.866 18.746 1.00 9.21 N ATOM 386 CA LEU 51 24.886 31.120 18.039 1.00 10.07 C ATOM 387 C LEU 51 24.625 29.626 17.918 1.00 7.44 C ATOM 388 O LEU 51 24.339 28.954 18.916 1.00 9.56 O ATOM 389 CB LEU 51 26.229 31.327 18.752 1.00 9.37 C ATOM 390 CG LEU 51 26.590 32.743 19.203 1.00 12.30 C ATOM 391 CD1 LEU 51 27.838 32.698 20.072 1.00 13.14 C ATOM 392 CD2 LEU 51 26.772 33.650 18.004 1.00 12.38 C ATOM 393 N GLY 52 24.813 29.106 16.711 1.00 8.66 N ATOM 394 CA GLY 52 24.599 27.701 16.462 1.00 7.29 C ATOM 395 C GLY 52 25.675 27.039 15.635 1.00 9.11 C ATOM 396 O GLY 52 26.237 27.628 14.703 1.00 9.27 O ATOM 397 N CYS 53 25.972 25.797 15.989 1.00 8.20 N ATOM 398 CA CYS 53 26.970 25.003 15.285 1.00 8.64 C ATOM 399 C CYS 53 26.750 23.540 15.633 1.00 8.31 C ATOM 400 O CYS 53 26.513 23.200 16.792 1.00 8.02 O ATOM 401 CB CYS 53 28.391 25.403 15.713 1.00 9.04 C ATOM 402 SG CYS 53 29.745 24.573 14.812 1.00 10.79 S ATOM 403 N SER 54 26.844 22.681 14.628 1.00 7.98 N ATOM 404 CA SER 54 26.691 21.247 14.828 1.00 7.93 C ATOM 405 C SER 54 27.906 20.647 15.533 1.00 9.09 C ATOM 406 O SER 54 28.971 21.278 15.608 1.00 10.20 O ATOM 407 CB SER 54 26.518 20.566 13.474 1.00 7.75 C ATOM 408 OG SER 54 27.478 21.045 12.559 1.00 10.34 O ATOM 409 N ALA 55 27.740 19.437 16.061 1.00 7.54 N ATOM 410 CA ALA 55 28.829 18.729 16.724 1.00 7.99 C ATOM 411 C ALA 55 29.773 18.238 15.615 1.00 9.07 C ATOM 412 O ALA 55 29.343 17.580 14.662 1.00 7.36 O ATOM 413 CB ALA 55 28.285 17.569 17.538 1.00 7.77 C ATOM 414 N MET 56 31.036 18.651 15.699 1.00 8.60 N ATOM 415 CA MET 56 32.039 18.280 14.705 1.00 8.99 C ATOM 416 C MET 56 33.269 17.610 15.326 1.00 9.00 C ATOM 417 O MET 56 33.356 17.477 16.547 1.00 9.87 O ATOM 418 CB MET 56 32.439 19.503 13.885 1.00 7.97 C ATOM 419 CG MET 56 31.358 19.961 12.935 1.00 9.78 C ATOM 420 SD MET 56 30.974 18.744 11.664 1.00 15.24 S ATOM 421 CE MET 56 32.264 18.979 10.594 1.00 13.84 C ATOM 422 N GLY 57 34.196 17.161 14.477 1.00 10.46 N ATOM 423 CA GLY 57 35.391 16.481 14.947 1.00 11.66 C ATOM 424 C GLY 57 35.005 15.441 15.979 1.00 13.14 C ATOM 425 O GLY 57 34.094 14.644 15.770 1.00 13.20 O ATOM 426 N ASP 58 35.703 15.433 17.103 1.00 15.25 N ATOM 427 CA ASP 58 35.357 14.519 18.166 1.00 17.28 C ATOM 428 C ASP 58 34.777 15.396 19.276 1.00 15.45 C ATOM 429 O ASP 58 35.495 15.831 20.181 1.00 16.46 O ATOM 430 CB ASP 58 36.584 13.729 18.648 1.00 22.41 C ATOM 431 CG ASP 58 36.232 12.657 19.698 1.00 28.32 C ATOM 432 OD1 ASP 58 35.037 12.287 19.852 1.00 26.51 O ATOM 433 OD2 ASP 58 37.172 12.179 20.380 1.00 34.01 O ATOM 434 N GLU 59 33.491 15.719 19.137 1.00 12.85 N ATOM 435 CA GLU 59 32.748 16.543 20.098 1.00 11.29 C ATOM 436 C GLU 59 33.317 17.944 20.296 1.00 10.67 C ATOM 437 O GLU 59 33.513 18.384 21.427 1.00 11.98 O ATOM 438 CB GLU 59 32.593 15.852 21.468 1.00 11.92 C ATOM 439 CG GLU 59 31.738 14.577 21.490 1.00 13.76 C ATOM 440 CD GLU 59 30.269 14.771 21.098 1.00 11.99 C ATOM 441 OE1 GLU 59 29.718 15.875 21.246 1.00 14.62 O ATOM 442 OE2 GLU 59 29.643 13.790 20.666 1.00 14.02 O ATOM 443 N VAL 60 33.547 18.650 19.195 1.00 11.17 N ATOM 444 CA VAL 60 34.065 20.015 19.246 1.00 11.31 C ATOM 445 C VAL 60 33.300 20.906 18.266 1.00 10.90 C ATOM 446 O VAL 60 32.516 20.416 17.447 1.00 12.09 O ATOM 447 CB VAL 60 35.579 20.073 18.873 1.00 10.07 C ATOM 448 CG1 VAL 60 36.422 19.353 19.939 1.00 10.13 C ATOM 449 CG2 VAL 60 35.814 19.479 17.496 1.00 10.27 C ATOM 450 N LEU 61 33.520 22.213 18.355 1.00 11.39 N ATOM 451 CA LEU 61 32.896 23.156 17.430 1.00 11.06 C ATOM 452 C LEU 61 33.640 23.012 16.116 1.00 11.16 C ATOM 453 O LEU 61 34.808 22.629 16.111 1.00 12.72 O ATOM 454 CB LEU 61 33.067 24.584 17.933 1.00 10.49 C ATOM 455 CG LEU 61 32.369 24.934 19.244 1.00 12.28 C ATOM 456 CD1 LEU 61 32.799 26.337 19.688 1.00 13.39 C ATOM 457 CD2 LEU 61 30.865 24.872 19.050 1.00 12.57 C ATOM 458 N GLU 62 32.979 23.316 15.006 1.00 11.39 N ATOM 459 CA GLU 62 33.606 23.222 13.697 1.00 11.65 C ATOM 460 C GLU 62 34.906 24.038 13.748 1.00 16.25 C ATOM 461 O GLU 62 34.932 25.214 14.142 1.00 13.11 O ATOM 462 CB GLU 62 32.632 23.684 12.612 1.00 10.55 C ATOM 463 CG GLU 62 33.089 23.403 11.205 1.00 10.49 C ATOM 464 CD GLU 62 34.097 24.411 10.708 1.00 13.51 C ATOM 465 OE1 GLU 62 34.059 25.577 11.148 1.00 13.40 O ATOM 466 OE2 GLU 62 34.928 24.036 9.860 1.00 16.88 O ATOM 467 N GLU 63 35.984 23.377 13.354 1.00 17.57 N ATOM 468 CA GLU 63 37.338 23.914 13.429 1.00 20.89 C ATOM 469 C GLU 63 37.885 24.975 12.488 1.00 18.86 C ATOM 470 O GLU 63 38.690 25.805 12.916 1.00 18.97 O ATOM 471 CB GLU 63 38.314 22.735 13.487 1.00 24.96 C ATOM 472 CG GLU 63 38.076 21.849 14.712 1.00 36.35 C ATOM 473 CD GLU 63 38.712 20.465 14.614 1.00 43.16 C ATOM 474 OE1 GLU 63 38.210 19.633 13.811 1.00 45.79 O ATOM 475 OE2 GLU 63 39.686 20.202 15.370 1.00 45.91 O ATOM 476 N SER 64 37.473 24.974 11.228 1.00 17.48 N ATOM 477 CA SER 64 38.023 25.934 10.278 1.00 18.08 C ATOM 478 C SER 64 37.380 27.316 10.230 1.00 17.91 C ATOM 479 O SER 64 38.027 28.281 9.831 1.00 17.06 O ATOM 480 CB SER 64 38.066 25.332 8.870 1.00 19.15 C ATOM 481 OG SER 64 36.772 25.278 8.292 1.00 21.42 O ATOM 482 N GLU 65 36.121 27.409 10.647 1.00 16.71 N ATOM 483 CA GLU 65 35.397 28.666 10.612 1.00 15.08 C ATOM 484 C GLU 65 34.718 29.083 11.896 1.00 12.73 C ATOM 485 O GLU 65 34.905 30.201 12.352 1.00 13.90 O ATOM 486 CB GLU 65 34.360 28.644 9.492 1.00 16.98 C ATOM 487 CG GLU 65 34.955 28.530 8.097 1.00 26.66 C ATOM 488 CD GLU 65 33.900 28.503 7.007 1.00 32.19 C ATOM 489 OE1 GLU 65 33.400 29.587 6.650 1.00 37.22 O ATOM 490 OE2 GLU 65 33.577 27.401 6.505 1.00 37.25 O ATOM 491 N PHE 66 33.943 28.194 12.497 1.00 11.79 N ATOM 492 CA PHE 66 33.212 28.558 13.700 1.00 10.34 C ATOM 493 C PHE 66 34.080 28.771 14.931 1.00 10.43 C ATOM 494 O PHE 66 33.912 29.755 15.650 1.00 11.55 O ATOM 495 CB PHE 66 32.096 27.549 13.975 1.00 9.33 C ATOM 496 CG PHE 66 31.028 28.085 14.868 1.00 9.13 C ATOM 497 CD1 PHE 66 29.995 28.852 14.345 1.00 10.28 C ATOM 498 CD2 PHE 66 31.075 27.864 16.241 1.00 8.46 C ATOM 499 CE1 PHE 66 29.024 29.397 15.179 1.00 10.84 C ATOM 500 CE2 PHE 66 30.101 28.406 17.093 1.00 8.77 C ATOM 501 CZ PHE 66 29.075 29.174 16.553 1.00 9.93 C ATOM 502 N GLU 67 35.019 27.861 15.162 1.00 12.84 N ATOM 503 CA GLU 67 35.935 27.937 16.311 1.00 14.85 C ATOM 504 C GLU 67 36.736 29.243 16.331 1.00 13.31 C ATOM 505 O GLU 67 36.725 29.957 17.329 1.00 13.56 O ATOM 506 CB GLU 67 36.862 26.708 16.316 1.00 18.60 C ATOM 507 CG GLU 67 38.066 26.749 17.258 1.00 23.85 C ATOM 508 CD GLU 67 37.699 26.591 18.713 1.00 26.48 C ATOM 509 OE1 GLU 67 36.747 25.850 19.018 1.00 30.96 O ATOM 510 OE2 GLU 67 38.376 27.199 19.566 1.00 31.45 O ATOM 511 N PRO 68 37.401 29.598 15.213 1.00 14.28 N ATOM 512 CA PRO 68 38.189 30.844 15.153 1.00 14.93 C ATOM 513 C PRO 68 37.314 32.072 15.433 1.00 14.68 C ATOM 514 O PRO 68 37.768 33.044 16.034 1.00 15.60 O ATOM 515 CB PRO 68 38.709 30.856 13.719 1.00 14.28 C ATOM 516 CG PRO 68 38.802 29.414 13.379 1.00 16.51 C ATOM 517 CD PRO 68 37.533 28.841 13.957 1.00 12.87 C ATOM 518 N PHE 69 36.073 32.028 14.960 1.00 13.54 N ATOM 519 CA PHE 69 35.113 33.100 15.187 1.00 13.09 C ATOM 520 C PHE 69 34.826 33.244 16.693 1.00 12.38 C ATOM 521 O PHE 69 34.798 34.355 17.219 1.00 12.63 O ATOM 522 CB PHE 69 33.831 32.805 14.392 1.00 14.21 C ATOM 523 CG PHE 69 32.591 33.485 14.935 1.00 16.85 C ATOM 524 CD1 PHE 69 32.390 34.853 14.766 1.00 16.90 C ATOM 525 CD2 PHE 69 31.620 32.747 15.613 1.00 18.02 C ATOM 526 CE1 PHE 69 31.243 35.472 15.265 1.00 18.52 C ATOM 527 CE2 PHE 69 30.476 33.360 16.112 1.00 18.40 C ATOM 528 CZ PHE 69 30.289 34.725 15.936 1.00 17.24 C ATOM 529 N ILE 70 34.629 32.129 17.393 1.00 12.15 N ATOM 530 CA ILE 70 34.369 32.172 18.829 1.00 12.27 C ATOM 531 C ILE 70 35.560 32.768 19.583 1.00 14.69 C ATOM 532 O ILE 70 35.385 33.553 20.513 1.00 15.29 O ATOM 533 CB ILE 70 34.035 30.776 19.366 1.00 9.97 C ATOM 534 CG1 ILE 70 32.675 30.344 18.816 1.00 11.58 C ATOM 535 CG2 ILE 70 34.003 30.769 20.888 1.00 9.40 C ATOM 536 CD1 ILE 70 31.529 31.284 19.191 1.00 11.36 C ATOM 537 N GLU 71 36.766 32.406 19.159 1.00 15.99 N ATOM 538 CA GLU 71 38.006 32.908 19.765 1.00 18.75 C ATOM 539 C GLU 71 38.128 34.413 19.533 1.00 16.41 C ATOM 540 O GLU 71 38.546 35.153 20.418 1.00 17.11 O ATOM 541 CB GLU 71 39.219 32.233 19.121 1.00 22.18 C ATOM 542 CG GLU 71 39.176 30.734 19.152 1.00 31.82 C ATOM 543 CD GLU 71 40.092 30.135 20.196 1.00 38.53 C ATOM 544 OE1 GLU 71 40.219 30.716 21.310 1.00 39.87 O ATOM 545 OE2 GLU 71 40.681 29.070 19.885 1.00 39.41 O ATOM 546 N GLU 72 37.796 34.838 18.319 1.00 15.84 N ATOM 547 CA GLU 72 37.843 36.236 17.919 1.00 18.57 C ATOM 548 C GLU 72 37.014 37.127 18.830 1.00 17.81 C ATOM 549 O GLU 72 37.514 38.115 19.359 1.00 20.11 O ATOM 550 CB GLU 72 37.314 36.355 16.505 1.00 23.27 C ATOM 551 CG GLU 72 38.355 36.712 15.505 1.00 33.80 C ATOM 552 CD GLU 72 38.427 38.200 15.295 1.00 38.25 C ATOM 553 OE1 GLU 72 38.924 38.909 16.203 1.00 42.69 O ATOM 554 OE2 GLU 72 37.968 38.656 14.224 1.00 39.86 O ATOM 555 N ILE 73 35.753 36.758 19.033 1.00 16.55 N ATOM 556 CA ILE 73 34.844 37.531 19.876 1.00 15.51 C ATOM 557 C ILE 73 34.956 37.284 21.375 1.00 14.72 C ATOM 558 O ILE 73 34.417 38.053 22.158 1.00 16.30 O ATOM 559 CB ILE 73 33.377 37.289 19.479 1.00 15.84 C ATOM 560 CG1 ILE 73 32.968 35.853 19.800 1.00 17.04 C ATOM 561 CG2 ILE 73 33.175 37.569 18.006 1.00 17.10 C ATOM 562 CD1 ILE 73 31.524 35.562 19.513 1.00 21.38 C ATOM 563 N SER 74 35.672 36.240 21.778 1.00 14.69 N ATOM 564 CA SER 74 35.807 35.870 23.188 1.00 16.03 C ATOM 565 C SER 74 36.181 36.975 24.181 1.00 18.10 C ATOM 566 O SER 74 35.723 36.974 25.325 1.00 17.69 O ATOM 567 CB SER 74 36.797 34.714 23.334 1.00 14.85 C ATOM 568 OG SER 74 38.118 35.114 23.003 1.00 15.72 O ATOM 569 N THR 75 37.032 37.896 23.748 1.00 20.79 N ATOM 570 CA THR 75 37.494 38.992 24.603 1.00 23.28 C ATOM 571 C THR 75 36.575 40.206 24.642 1.00 23.59 C ATOM 572 O THR 75 36.752 41.090 25.478 1.00 24.29 O ATOM 573 CB THR 75 38.882 39.488 24.149 1.00 22.47 C ATOM 574 OG1 THR 75 38.863 39.717 22.732 1.00 23.11 O ATOM 575 CG2 THR 75 39.951 38.461 24.483 1.00 25.54 C ATOM 576 N LYS 76 35.580 40.230 23.764 1.00 25.08 N ATOM 577 CA LYS 76 34.674 41.367 23.659 1.00 24.95 C ATOM 578 C LYS 76 33.216 41.082 24.027 1.00 24.53 C ATOM 579 O LYS 76 32.355 41.927 23.795 1.00 26.38 O ATOM 580 CB LYS 76 34.710 41.882 22.218 1.00 25.24 C ATOM 581 CG LYS 76 36.087 41.935 21.585 1.00 28.26 C ATOM 582 CD LYS 76 35.957 41.929 20.069 1.00 34.55 C ATOM 583 CE LYS 76 37.303 41.865 19.364 1.00 37.33 C ATOM 584 NZ LYS 76 38.176 43.010 19.763 1.00 43.16 N ATOM 585 N ILE 77 32.935 39.943 24.649 1.00 22.92 N ATOM 586 CA ILE 77 31.547 39.600 24.940 1.00 21.80 C ATOM 587 C ILE 77 31.157 39.451 26.405 1.00 21.42 C ATOM 588 O ILE 77 30.057 38.983 26.716 1.00 22.17 O ATOM 589 CB ILE 77 31.133 38.321 24.166 1.00 20.23 C ATOM 590 CG1 ILE 77 32.106 37.179 24.480 1.00 21.63 C ATOM 591 CG2 ILE 77 31.077 38.603 22.679 1.00 16.08 C ATOM 592 CD1 ILE 77 31.770 35.863 23.798 1.00 23.34 C ATOM 593 N SER 78 32.039 39.854 27.309 1.00 20.01 N ATOM 594 CA SER 78 31.750 39.753 28.731 1.00 21.73 C ATOM 595 C SER 78 30.465 40.532 29.049 1.00 22.11 C ATOM 596 O SER 78 30.271 41.643 28.549 1.00 23.74 O ATOM 597 CB SER 78 32.922 40.306 29.537 1.00 20.90 C ATOM 598 OG SER 78 32.732 40.049 30.911 1.00 25.28 O ATOM 599 N GLY 79 29.578 39.934 29.840 1.00 21.52 N ATOM 600 CA GLY 79 28.329 40.591 30.192 1.00 23.35 C ATOM 601 C GLY 79 27.199 40.416 29.177 1.00 24.74 C ATOM 602 O GLY 79 26.050 40.771 29.465 1.00 25.63 O ATOM 603 N LYS 80 27.507 39.879 27.997 1.00 22.78 N ATOM 604 CA LYS 80 26.489 39.670 26.978 1.00 22.65 C ATOM 605 C LYS 80 25.644 38.408 27.163 1.00 21.30 C ATOM 606 O LYS 80 26.077 37.418 27.764 1.00 20.23 O ATOM 607 CB LYS 80 27.086 39.716 25.573 1.00 23.03 C ATOM 608 CG LYS 80 27.265 41.119 25.078 1.00 28.26 C ATOM 609 CD LYS 80 27.486 41.165 23.588 1.00 33.74 C ATOM 610 CE LYS 80 27.083 42.525 23.021 1.00 35.79 C ATOM 611 NZ LYS 80 27.775 43.682 23.669 1.00 40.18 N ATOM 612 N LYS 81 24.403 38.491 26.697 1.00 21.39 N ATOM 613 CA LYS 81 23.463 37.385 26.774 1.00 22.23 C ATOM 614 C LYS 81 23.642 36.547 25.508 1.00 19.02 C ATOM 615 O LYS 81 23.817 37.094 24.410 1.00 20.26 O ATOM 616 CB LYS 81 22.022 37.912 26.888 1.00 23.65 C ATOM 617 CG LYS 81 21.770 38.801 28.115 1.00 29.78 C ATOM 618 CD LYS 81 20.286 39.154 28.269 1.00 35.56 C ATOM 619 CE LYS 81 20.015 40.098 29.451 1.00 38.76 C ATOM 620 NZ LYS 81 20.423 41.517 29.175 1.00 42.43 N ATOM 621 N VAL 82 23.647 35.229 25.665 1.00 17.26 N ATOM 622 CA VAL 82 23.812 34.341 24.525 1.00 16.29 C ATOM 623 C VAL 82 22.841 33.173 24.609 1.00 13.39 C ATOM 624 O VAL 82 22.443 32.758 25.696 1.00 13.94 O ATOM 625 CB VAL 82 25.283 33.776 24.406 1.00 17.46 C ATOM 626 CG1 VAL 82 26.292 34.908 24.174 1.00 19.73 C ATOM 627 CG2 VAL 82 25.661 33.002 25.645 1.00 17.19 C ATOM 628 N ALA 83 22.421 32.691 23.449 1.00 11.54 N ATOM 629 CA ALA 83 21.530 31.543 23.354 1.00 11.15 C ATOM 630 C ALA 83 22.269 30.640 22.379 1.00 9.78 C ATOM 631 O ALA 83 22.725 31.105 21.331 1.00 11.92 O ATOM 632 CB ALA 83 20.165 31.953 22.803 1.00 11.94 C ATOM 633 N LEU 84 22.397 29.365 22.727 1.00 9.56 N ATOM 634 CA LEU 84 23.155 28.414 21.924 1.00 8.78 C ATOM 635 C LEU 84 22.296 27.279 21.395 1.00 8.90 C ATOM 636 O LEU 84 21.393 26.795 22.094 1.00 8.13 O ATOM 637 CB LEU 84 24.282 27.829 22.779 1.00 9.44 C ATOM 638 CG LEU 84 25.170 28.824 23.537 1.00 10.21 C ATOM 639 CD1 LEU 84 26.096 28.092 24.477 1.00 14.18 C ATOM 640 CD2 LEU 84 25.956 29.663 22.561 1.00 11.20 C ATOM 641 N PHE 85 22.612 26.822 20.186 1.00 8.42 N ATOM 642 CA PHE 85 21.873 25.726 19.566 1.00 7.49 C ATOM 643 C PHE 85 22.732 24.949 18.588 1.00 8.42 C ATOM 644 O PHE 85 23.838 25.372 18.232 1.00 7.68 O ATOM 645 CB PHE 85 20.606 26.232 18.843 1.00 5.50 C ATOM 646 CG PHE 85 20.875 27.031 17.592 1.00 6.51 C ATOM 647 CD1 PHE 85 21.159 28.397 17.660 1.00 6.31 C ATOM 648 CD2 PHE 85 20.796 26.432 16.333 1.00 6.28 C ATOM 649 CE1 PHE 85 21.355 29.150 16.486 1.00 7.76 C ATOM 650 CE2 PHE 85 20.991 27.176 15.154 1.00 7.52 C ATOM 651 CZ PHE 85 21.271 28.541 15.233 1.00 9.01 C ATOM 652 N GLY 86 22.212 23.813 18.136 1.00 8.81 N ATOM 653 CA GLY 86 22.938 23.021 17.164 1.00 9.04 C ATOM 654 C GLY 86 22.456 21.594 17.009 1.00 8.60 C ATOM 655 O GLY 86 21.838 21.022 17.911 1.00 9.12 O ATOM 656 N SER 87 22.742 21.030 15.842 1.00 11.12 N ATOM 657 CA SER 87 22.371 19.656 15.528 1.00 11.71 C ATOM 658 C SER 87 23.544 18.722 15.859 1.00 11.50 C ATOM 659 O SER 87 24.709 19.128 15.811 1.00 11.18 O ATOM 660 CB SER 87 22.018 19.536 14.042 1.00 10.25 C ATOM 661 OG SER 87 21.571 18.224 13.742 1.00 9.13 O ATOM 662 N TYR 88 23.242 17.477 16.201 1.00 11.28 N ATOM 663 CA TYR 88 24.288 16.508 16.502 1.00 11.23 C ATOM 664 C TYR 88 23.892 15.138 15.939 1.00 12.26 C ATOM 665 O TYR 88 22.780 14.959 15.434 1.00 11.02 O ATOM 666 CB TYR 88 24.596 16.454 17.999 1.00 9.48 C ATOM 667 CG TYR 88 23.485 15.896 18.842 1.00 12.99 C ATOM 668 CD1 TYR 88 22.394 16.688 19.198 1.00 10.54 C ATOM 669 CD2 TYR 88 23.527 14.577 19.294 1.00 12.28 C ATOM 670 CE1 TYR 88 21.369 16.183 19.988 1.00 14.06 C ATOM 671 CE2 TYR 88 22.506 14.057 20.084 1.00 15.11 C ATOM 672 CZ TYR 88 21.429 14.865 20.429 1.00 15.29 C ATOM 673 OH TYR 88 20.407 14.365 21.205 1.00 16.93 O ATOM 674 N GLY 89 24.816 14.191 15.977 1.00 13.65 N ATOM 675 CA GLY 89 24.541 12.886 15.411 1.00 16.03 C ATOM 676 C GLY 89 24.509 11.734 16.386 1.00 18.13 C ATOM 677 O GLY 89 23.452 11.402 16.910 1.00 20.68 O ATOM 678 N TRP 90 25.676 11.175 16.684 1.00 17.37 N ATOM 679 CA TRP 90 25.773 10.012 17.567 1.00 16.10 C ATOM 680 C TRP 90 26.052 10.247 19.045 1.00 16.76 C ATOM 681 O TRP 90 25.892 9.337 19.854 1.00 16.77 O ATOM 682 CB TRP 90 26.822 9.057 17.013 1.00 14.53 C ATOM 683 CG TRP 90 28.155 9.720 16.763 1.00 14.03 C ATOM 684 CD1 TRP 90 29.151 9.935 17.673 1.00 13.35 C ATOM 685 CD2 TRP 90 28.631 10.234 15.519 1.00 11.72 C ATOM 686 NE1 TRP 90 30.217 10.547 17.068 1.00 12.66 N ATOM 687 CE2 TRP 90 29.929 10.739 15.745 1.00 11.78 C ATOM 688 CE3 TRP 90 28.092 10.310 14.227 1.00 11.07 C ATOM 689 CZ2 TRP 90 30.703 11.310 14.726 1.00 11.67 C ATOM 690 CZ3 TRP 90 28.862 10.878 13.215 1.00 11.17 C ATOM 691 CH2 TRP 90 30.154 11.368 13.474 1.00 11.40 C ATOM 692 N GLY 91 26.514 11.441 19.393 1.00 16.98 N ATOM 693 CA GLY 91 26.838 11.723 20.777 1.00 15.28 C ATOM 694 C GLY 91 25.631 12.060 21.620 1.00 16.56 C ATOM 695 O GLY 91 24.489 11.858 21.200 1.00 17.56 O ATOM 696 N ASP 92 25.885 12.560 22.822 1.00 16.48 N ATOM 697 CA ASP 92 24.818 12.959 23.724 1.00 19.24 C ATOM 698 C ASP 92 24.897 14.427 24.157 1.00 17.20 C ATOM 699 O ASP 92 24.414 14.798 25.233 1.00 18.67 O ATOM 700 CB ASP 92 24.685 12.000 24.932 1.00 23.39 C ATOM 701 CG ASP 92 25.880 12.030 25.880 1.00 26.99 C ATOM 702 OD1 ASP 92 26.654 13.012 25.889 1.00 28.83 O ATOM 703 OD2 ASP 92 26.024 11.050 26.652 1.00 31.88 O ATOM 704 N GLY 93 25.515 15.254 23.317 1.00 14.98 N ATOM 705 CA GLY 93 25.600 16.673 23.609 1.00 12.98 C ATOM 706 C GLY 93 26.848 17.197 24.276 1.00 12.21 C ATOM 707 O GLY 93 26.875 18.353 24.692 1.00 12.45 O ATOM 708 N LYS 94 27.897 16.384 24.341 1.00 11.67 N ATOM 709 CA LYS 94 29.151 16.811 24.965 1.00 11.94 C ATOM 710 C LYS 94 29.694 18.127 24.388 1.00 10.73 C ATOM 711 O LYS 94 30.089 19.006 25.146 1.00 12.18 O ATOM 712 CB LYS 94 30.199 15.710 24.833 1.00 12.30 C ATOM 713 CG LYS 94 31.616 16.100 25.253 1.00 16.84 C ATOM 714 CD LYS 94 31.725 16.410 26.716 1.00 21.40 C ATOM 715 CE LYS 94 33.192 16.491 27.138 1.00 24.42 C ATOM 716 NZ LYS 94 33.286 17.116 28.498 1.00 25.24 N ATOM 717 N TRP 95 29.688 18.280 23.065 1.00 9.51 N ATOM 718 CA TRP 95 30.203 19.510 22.462 1.00 7.96 C ATOM 719 C TRP 95 29.426 20.734 22.942 1.00 8.96 C ATOM 720 O TRP 95 30.014 21.794 23.133 1.00 9.24 O ATOM 721 CB TRP 95 30.226 19.426 20.930 1.00 6.72 C ATOM 722 CG TRP 95 29.091 20.132 20.216 1.00 7.98 C ATOM 723 CD1 TRP 95 29.192 21.248 19.432 1.00 9.33 C ATOM 724 CD2 TRP 95 27.709 19.742 20.178 1.00 8.64 C ATOM 725 NE1 TRP 95 27.967 21.566 18.900 1.00 9.53 N ATOM 726 CE2 TRP 95 27.039 20.659 19.342 1.00 8.98 C ATOM 727 CE3 TRP 95 26.972 18.701 20.765 1.00 9.42 C ATOM 728 CZ2 TRP 95 25.669 20.571 19.075 1.00 8.37 C ATOM 729 CZ3 TRP 95 25.615 18.613 20.499 1.00 9.14 C ATOM 730 CH2 TRP 95 24.975 19.542 19.663 1.00 10.74 C ATOM 731 N MET 96 28.127 20.577 23.187 1.00 9.39 N ATOM 732 CA MET 96 27.306 21.693 23.642 1.00 9.28 C ATOM 733 C MET 96 27.514 21.995 25.132 1.00 10.21 C ATOM 734 O MET 96 27.490 23.159 25.540 1.00 10.35 O ATOM 735 CB MET 96 25.839 21.448 23.319 1.00 8.65 C ATOM 736 CG MET 96 24.931 22.640 23.610 1.00 10.91 C ATOM 737 SD MET 96 25.437 24.169 22.772 1.00 11.68 S ATOM 738 CE MET 96 24.892 23.846 21.115 1.00 12.37 C ATOM 739 N ARG 97 27.730 20.965 25.945 1.00 8.23 N ATOM 740 CA ARG 97 27.998 21.180 27.365 1.00 10.38 C ATOM 741 C ARG 97 29.283 21.998 27.464 1.00 9.85 C ATOM 742 O ARG 97 29.378 22.929 28.266 1.00 10.66 O ATOM 743 CB ARG 97 28.167 19.851 28.120 1.00 12.35 C ATOM 744 CG ARG 97 26.857 19.098 28.383 1.00 13.98 C ATOM 745 CD ARG 97 27.013 17.943 29.414 1.00 14.43 C ATOM 746 NE ARG 97 27.800 16.810 28.925 1.00 16.05 N ATOM 747 CZ ARG 97 27.371 15.942 28.014 1.00 16.86 C ATOM 748 NH1 ARG 97 26.159 16.075 27.486 1.00 18.81 N ATOM 749 NH2 ARG 97 28.144 14.931 27.633 1.00 18.00 N ATOM 750 N ASP 98 30.256 21.665 26.620 1.00 9.28 N ATOM 751 CA ASP 98 31.530 22.373 26.584 1.00 10.92 C ATOM 752 C ASP 98 31.390 23.804 26.052 1.00 9.51 C ATOM 753 O ASP 98 32.007 24.717 26.594 1.00 9.65 O ATOM 754 CB ASP 98 32.557 21.604 25.744 1.00 11.00 C ATOM 755 CG ASP 98 33.121 20.379 26.461 1.00 13.60 C ATOM 756 OD1 ASP 98 33.010 20.281 27.703 1.00 12.72 O ATOM 757 OD2 ASP 98 33.692 19.516 25.760 1.00 16.34 O ATOM 758 N PHE 99 30.592 23.988 24.999 1.00 8.84 N ATOM 759 CA PHE 99 30.336 25.305 24.386 1.00 8.18 C ATOM 760 C PHE 99 29.679 26.225 25.443 1.00 9.40 C ATOM 761 O PHE 99 30.084 27.373 25.620 1.00 8.92 O ATOM 762 CB PHE 99 29.407 25.113 23.178 1.00 10.03 C ATOM 763 CG PHE 99 29.241 26.327 22.299 1.00 10.00 C ATOM 764 CD1 PHE 99 30.089 27.424 22.395 1.00 11.15 C ATOM 765 CD2 PHE 99 28.248 26.336 21.323 1.00 9.07 C ATOM 766 CE1 PHE 99 29.944 28.510 21.519 1.00 11.14 C ATOM 767 CE2 PHE 99 28.099 27.417 20.446 1.00 8.56 C ATOM 768 CZ PHE 99 28.942 28.496 20.542 1.00 8.89 C ATOM 769 N GLU 100 28.685 25.707 26.161 1.00 9.61 N ATOM 770 CA GLU 100 28.015 26.476 27.204 1.00 9.54 C ATOM 771 C GLU 100 28.999 26.848 28.331 1.00 11.06 C ATOM 772 O GLU 100 29.012 27.989 28.806 1.00 12.04 O ATOM 773 CB GLU 100 26.821 25.693 27.774 1.00 12.81 C ATOM 774 CG GLU 100 26.069 26.448 28.867 1.00 17.15 C ATOM 775 CD GLU 100 24.964 25.636 29.526 1.00 23.38 C ATOM 776 OE1 GLU 100 25.030 24.388 29.509 1.00 27.31 O ATOM 777 OE2 GLU 100 24.038 26.256 30.091 1.00 27.14 O ATOM 778 N GLU 101 29.788 25.882 28.792 1.00 9.43 N ATOM 779 CA GLU 101 30.766 26.161 29.836 1.00 10.87 C ATOM 780 C GLU 101 31.741 27.254 29.367 1.00 9.25 C ATOM 781 O GLU 101 32.102 28.159 30.118 1.00 10.11 O ATOM 782 CB GLU 101 31.552 24.897 30.167 1.00 8.84 C ATOM 783 CG GLU 101 32.631 25.154 31.184 1.00 10.71 C ATOM 784 CD GLU 101 33.690 24.090 31.233 1.00 11.63 C ATOM 785 OE1 GLU 101 33.396 22.909 30.959 1.00 13.43 O ATOM 786 OE2 GLU 101 34.837 24.451 31.564 1.00 15.42 O ATOM 787 N ARG 102 32.164 27.152 28.113 1.00 9.47 N ATOM 788 CA ARG 102 33.094 28.103 27.524 1.00 10.25 C ATOM 789 C ARG 102 32.526 29.523 27.487 1.00 11.22 C ATOM 790 O ARG 102 33.181 30.466 27.934 1.00 9.15 O ATOM 791 CB ARG 102 33.481 27.668 26.103 1.00 9.99 C ATOM 792 CG ARG 102 34.677 28.434 25.574 1.00 15.06 C ATOM 793 CD ARG 102 34.643 28.622 24.076 1.00 19.65 C ATOM 794 NE ARG 102 35.017 27.435 23.328 1.00 21.09 N ATOM 795 CZ ARG 102 35.979 27.389 22.408 1.00 18.78 C ATOM 796 NH1 ARG 102 36.703 28.459 22.106 1.00 16.24 N ATOM 797 NH2 ARG 102 36.167 26.272 21.733 1.00 17.95 N ATOM 798 N MET 103 31.306 29.679 26.975 1.00 9.86 N ATOM 799 CA MET 103 30.691 31.000 26.886 1.00 10.17 C ATOM 800 C MET 103 30.506 31.604 28.268 1.00 11.11 C ATOM 801 O MET 103 30.695 32.802 28.476 1.00 10.99 O ATOM 802 CB MET 103 29.371 30.934 26.123 1.00 11.75 C ATOM 803 CG MET 103 29.531 30.525 24.659 1.00 10.70 C ATOM 804 SD MET 103 30.804 31.425 23.750 1.00 16.14 S ATOM 805 CE MET 103 29.864 32.801 23.201 1.00 13.97 C ATOM 806 N ASN 104 30.172 30.758 29.226 1.00 11.75 N ATOM 807 CA ASN 104 30.008 31.192 30.593 1.00 14.94 C ATOM 808 C ASN 104 31.342 31.684 31.131 1.00 15.54 C ATOM 809 O ASN 104 31.401 32.697 31.836 1.00 14.61 O ATOM 810 CB ASN 104 29.538 30.038 31.445 1.00 18.84 C ATOM 811 CG ASN 104 28.410 30.425 32.312 1.00 25.60 C ATOM 812 OD1 ASN 104 28.600 30.842 33.456 1.00 30.46 O ATOM 813 ND2 ASN 104 27.209 30.343 31.766 1.00 29.13 N ATOM 814 N GLY 105 32.406 30.959 30.783 1.00 14.93 N ATOM 815 CA GLY 105 33.755 31.304 31.208 1.00 14.41 C ATOM 816 C GLY 105 34.250 32.626 30.648 1.00 15.29 C ATOM 817 O GLY 105 35.150 33.244 31.221 1.00 16.27 O ATOM 818 N TYR 106 33.690 33.052 29.515 1.00 14.74 N ATOM 819 CA TYR 106 34.041 34.333 28.893 1.00 15.03 C ATOM 820 C TYR 106 33.253 35.493 29.522 1.00 14.87 C ATOM 821 O TYR 106 33.420 36.652 29.130 1.00 17.85 O ATOM 822 CB TYR 106 33.755 34.310 27.391 1.00 13.81 C ATOM 823 CG TYR 106 34.637 33.393 26.582 1.00 12.19 C ATOM 824 CD1 TYR 106 35.919 33.034 27.015 1.00 12.33 C ATOM 825 CD2 TYR 106 34.186 32.889 25.371 1.00 13.28 C ATOM 826 CE1 TYR 106 36.726 32.185 26.244 1.00 10.85 C ATOM 827 CE2 TYR 106 34.973 32.052 24.599 1.00 11.84 C ATOM 828 CZ TYR 106 36.237 31.703 25.039 1.00 11.74 C ATOM 829 OH TYR 106 36.978 30.871 24.248 1.00 12.84 O ATOM 830 N GLY 107 32.384 35.180 30.473 1.00 13.49 N ATOM 831 CA GLY 107 31.595 36.208 31.122 1.00 15.88 C ATOM 832 C GLY 107 30.198 36.414 30.554 1.00 17.69 C ATOM 833 O GLY 107 29.516 37.347 30.962 1.00 19.01 O ATOM 834 N CYS 108 29.773 35.573 29.610 1.00 17.41 N ATOM 835 CA CYS 108 28.432 35.676 29.026 1.00 18.38 C ATOM 836 C CYS 108 27.389 35.057 29.944 1.00 19.03 C ATOM 837 O CYS 108 27.694 34.181 30.767 1.00 20.48 O ATOM 838 CB CYS 108 28.343 34.915 27.701 1.00 15.02 C ATOM 839 SG CYS 108 29.541 35.371 26.503 1.00 19.04 S ATOM 840 N VAL 109 26.149 35.499 29.795 1.00 20.82 N ATOM 841 CA VAL 109 25.071 34.926 30.574 1.00 22.23 C ATOM 842 C VAL 109 24.243 34.110 29.575 1.00 22.46 C ATOM 843 O VAL 109 23.804 34.626 28.543 1.00 21.37 O ATOM 844 CB VAL 109 24.265 36.021 31.349 1.00 25.32 C ATOM 845 CG1 VAL 109 24.029 37.229 30.480 1.00 27.35 C ATOM 846 CG2 VAL 109 22.951 35.462 31.896 1.00 24.70 C ATOM 847 N VAL 110 24.219 32.796 29.788 1.00 23.95 N ATOM 848 CA VAL 110 23.478 31.866 28.927 1.00 24.93 C ATOM 849 C VAL 110 22.022 31.920 29.383 1.00 24.96 C ATOM 850 O VAL 110 21.650 31.347 30.414 1.00 25.07 O ATOM 851 CB VAL 110 24.069 30.424 29.013 1.00 25.51 C ATOM 852 CG1 VAL 110 23.293 29.472 28.114 1.00 24.22 C ATOM 853 CG2 VAL 110 25.538 30.441 28.590 1.00 24.82 C ATOM 854 N VAL 111 21.222 32.647 28.607 1.00 25.56 N ATOM 855 CA VAL 111 19.818 32.890 28.917 1.00 26.73 C ATOM 856 C VAL 111 18.865 31.705 28.987 1.00 28.32 C ATOM 857 O VAL 111 17.995 31.656 29.861 1.00 32.12 O ATOM 858 CB VAL 111 19.232 34.015 28.017 1.00 25.28 C ATOM 859 CG1 VAL 111 19.947 35.314 28.304 1.00 26.17 C ATOM 860 CG2 VAL 111 19.346 33.668 26.528 1.00 24.31 C ATOM 861 N GLU 112 19.019 30.753 28.081 1.00 27.60 N ATOM 862 CA GLU 112 18.153 29.582 28.056 1.00 27.87 C ATOM 863 C GLU 112 19.030 28.353 27.950 1.00 25.86 C ATOM 864 O GLU 112 20.216 28.461 27.645 1.00 26.20 O ATOM 865 CB GLU 112 17.223 29.625 26.828 1.00 30.12 C ATOM 866 CG GLU 112 16.038 30.572 26.936 1.00 35.03 C ATOM 867 CD GLU 112 15.035 30.159 28.016 1.00 39.03 C ATOM 868 OE1 GLU 112 15.010 28.966 28.408 1.00 41.38 O ATOM 869 OE2 GLU 112 14.267 31.034 28.475 1.00 40.81 O ATOM 870 N THR 113 18.437 27.190 28.183 1.00 23.06 N ATOM 871 CA THR 113 19.139 25.916 28.067 1.00 22.30 C ATOM 872 C THR 113 19.433 25.750 26.564 1.00 17.80 C ATOM 873 O THR 113 18.585 26.080 25.729 1.00 17.37 O ATOM 874 CB THR 113 18.232 24.765 28.584 1.00 24.80 C ATOM 875 OG1 THR 113 17.841 25.046 29.937 1.00 29.52 O ATOM 876 CG2 THR 113 18.964 23.422 28.554 1.00 28.75 C ATOM 877 N PRO 114 20.665 25.343 26.200 1.00 15.23 N ATOM 878 CA PRO 114 20.997 25.171 24.777 1.00 13.02 C ATOM 879 C PRO 114 20.037 24.216 24.094 1.00 12.23 C ATOM 880 O PRO 114 19.656 23.209 24.671 1.00 14.19 O ATOM 881 CB PRO 114 22.403 24.583 24.823 1.00 11.92 C ATOM 882 CG PRO 114 22.996 25.217 26.044 1.00 13.70 C ATOM 883 CD PRO 114 21.855 25.134 27.051 1.00 12.66 C ATOM 884 N LEU 115 19.633 24.532 22.876 1.00 10.58 N ATOM 885 CA LEU 115 18.727 23.667 22.151 1.00 10.66 C ATOM 886 C LEU 115 19.534 22.761 21.236 1.00 10.41 C ATOM 887 O LEU 115 20.241 23.237 20.357 1.00 10.62 O ATOM 888 CB LEU 115 17.743 24.499 21.315 1.00 11.67 C ATOM 889 CG LEU 115 16.789 23.703 20.410 1.00 12.18 C ATOM 890 CD1 LEU 115 15.770 22.976 21.262 1.00 13.28 C ATOM 891 CD2 LEU 115 16.102 24.614 19.417 1.00 10.38 C ATOM 892 N ILE 116 19.461 21.457 21.463 1.00 10.31 N ATOM 893 CA ILE 116 20.173 20.519 20.605 1.00 10.08 C ATOM 894 C ILE 116 19.170 19.535 20.050 1.00 8.94 C ATOM 895 O ILE 116 18.287 19.072 20.764 1.00 9.65 O ATOM 896 CB ILE 116 21.310 19.778 21.335 1.00 11.56 C ATOM 897 CG1 ILE 116 20.756 18.960 22.497 1.00 14.19 C ATOM 898 CG2 ILE 116 22.349 20.776 21.830 1.00 13.29 C ATOM 899 CD1 ILE 116 21.807 18.171 23.244 1.00 13.79 C ATOM 900 N VAL 117 19.287 19.244 18.765 1.00 9.78 N ATOM 901 CA VAL 117 18.372 18.332 18.088 1.00 11.74 C ATOM 902 C VAL 117 19.208 17.326 17.322 1.00 13.06 C ATOM 903 O VAL 117 20.209 17.700 16.709 1.00 13.35 O ATOM 904 CB VAL 117 17.459 19.113 17.090 1.00 11.01 C ATOM 905 CG1 VAL 117 16.659 18.161 16.217 1.00 11.38 C ATOM 906 CG2 VAL 117 16.526 20.045 17.868 1.00 12.83 C ATOM 907 N GLN 118 18.821 16.055 17.373 1.00 13.87 N ATOM 908 CA GLN 118 19.569 15.025 16.660 1.00 15.67 C ATOM 909 C GLN 118 19.202 15.008 15.180 1.00 15.72 C ATOM 910 O GLN 118 18.024 14.901 14.823 1.00 16.20 O ATOM 911 CB GLN 118 19.320 13.650 17.276 1.00 19.44 C ATOM 912 CG GLN 118 20.195 12.562 16.693 1.00 25.36 C ATOM 913 CD GLN 118 19.847 11.186 17.219 1.00 31.41 C ATOM 914 OE1 GLN 118 20.436 10.714 18.187 1.00 34.89 O ATOM 915 NE2 GLN 118 18.877 10.539 16.587 1.00 35.13 N ATOM 916 N ASN 119 20.219 15.126 14.331 1.00 15.78 N ATOM 917 CA ASN 119 20.058 15.126 12.879 1.00 16.49 C ATOM 918 C ASN 119 19.158 16.278 12.425 1.00 16.44 C ATOM 919 O ASN 119 19.210 17.356 12.995 1.00 14.82 O ATOM 920 CB ASN 119 19.550 13.755 12.405 1.00 17.66 C ATOM 921 CG ASN 119 20.398 12.595 12.958 1.00 21.52 C ATOM 922 OD1 ASN 119 21.598 12.471 12.666 1.00 21.29 O ATOM 923 ND2 ASN 119 19.788 11.778 13.808 1.00 21.19 N ATOM 924 N GLU 120 18.323 16.067 11.417 1.00 18.86 N ATOM 925 CA GLU 120 17.459 17.144 10.939 1.00 24.05 C ATOM 926 C GLU 120 16.255 17.364 11.858 1.00 24.85 C ATOM 927 O GLU 120 15.726 16.407 12.435 1.00 24.29 O ATOM 928 CB GLU 120 16.965 16.838 9.518 1.00 29.80 C ATOM 929 CG GLU 120 16.163 17.980 8.884 1.00 38.21 C ATOM 930 CD GLU 120 15.284 17.543 7.714 1.00 43.24 C ATOM 931 OE1 GLU 120 14.539 16.539 7.856 1.00 47.23 O ATOM 932 OE2 GLU 120 15.318 18.228 6.662 1.00 44.38 O ATOM 933 N PRO 121 15.839 18.628 12.052 1.00 25.17 N ATOM 934 CA PRO 121 14.685 18.912 12.907 1.00 29.39 C ATOM 935 C PRO 121 13.438 18.517 12.112 1.00 33.18 C ATOM 936 O PRO 121 13.120 19.140 11.101 1.00 37.24 O ATOM 937 CB PRO 121 14.736 20.435 13.063 1.00 28.42 C ATOM 938 CG PRO 121 16.129 20.793 12.732 1.00 27.57 C ATOM 939 CD PRO 121 16.471 19.879 11.612 1.00 26.44 C ATOM 940 N ASP 122 12.799 17.422 12.493 1.00 37.74 N ATOM 941 CA ASP 122 11.590 16.971 11.805 1.00 40.95 C ATOM 942 C ASP 122 10.521 17.025 12.871 1.00 40.50 C ATOM 943 O ASP 122 9.628 17.873 12.846 1.00 41.17 O ATOM 944 CB ASP 122 11.763 15.529 11.292 1.00 47.11 C ATOM 945 CG ASP 122 10.530 15.008 10.535 1.00 53.23 C ATOM 946 OD1 ASP 122 9.619 14.423 11.175 1.00 55.64 O ATOM 947 OD2 ASP 122 10.485 15.167 9.291 1.00 57.30 O ATOM 948 N GLU 123 10.693 16.171 13.868 1.00 39.58 N ATOM 949 CA GLU 123 9.767 16.090 14.981 1.00 40.74 C ATOM 950 C GLU 123 9.972 17.295 15.900 1.00 37.17 C ATOM 951 O GLU 123 9.026 17.793 16.519 1.00 38.31 O ATOM 952 CB GLU 123 9.992 14.780 15.757 1.00 45.64 C ATOM 953 CG GLU 123 9.887 13.499 14.904 1.00 52.29 C ATOM 954 CD GLU 123 11.243 12.845 14.613 1.00 55.85 C ATOM 955 OE1 GLU 123 11.944 13.289 13.672 1.00 57.14 O ATOM 956 OE2 GLU 123 11.599 11.874 15.325 1.00 58.76 O ATOM 957 N ALA 124 11.198 17.803 15.930 1.00 32.33 N ATOM 958 CA ALA 124 11.535 18.930 16.786 1.00 27.63 C ATOM 959 C ALA 124 11.295 20.326 16.201 1.00 24.45 C ATOM 960 O ALA 124 11.716 21.314 16.805 1.00 23.24 O ATOM 961 CB ALA 124 12.974 18.795 17.266 1.00 25.34 C ATOM 962 N GLU 125 10.587 20.426 15.073 1.00 20.07 N ATOM 963 CA GLU 125 10.346 21.733 14.468 1.00 19.13 C ATOM 964 C GLU 125 9.700 22.771 15.396 1.00 17.56 C ATOM 965 O GLU 125 10.184 23.912 15.489 1.00 15.14 O ATOM 966 CB GLU 125 9.559 21.611 13.165 1.00 22.59 C ATOM 967 CG GLU 125 10.376 21.003 12.019 1.00 31.02 C ATOM 968 CD GLU 125 9.798 21.283 10.632 1.00 35.27 C ATOM 969 OE1 GLU 125 8.692 21.873 10.547 1.00 37.56 O ATOM 970 OE2 GLU 125 10.462 20.919 9.627 1.00 36.86 O ATOM 971 N GLN 126 8.652 22.376 16.118 1.00 14.21 N ATOM 972 CA GLN 126 7.996 23.318 17.012 1.00 13.16 C ATOM 973 C GLN 126 8.926 23.724 18.130 1.00 12.16 C ATOM 974 O GLN 126 8.907 24.876 18.530 1.00 11.94 O ATOM 975 CB GLN 126 6.682 22.769 17.582 1.00 12.23 C ATOM 976 CG GLN 126 5.810 23.850 18.243 1.00 9.28 C ATOM 977 CD GLN 126 5.393 24.933 17.273 1.00 9.57 C ATOM 978 OE1 GLN 126 5.094 24.661 16.106 1.00 11.56 O ATOM 979 NE2 GLN 126 5.381 26.168 17.738 1.00 10.58 N ATOM 980 N ASP 127 9.728 22.789 18.640 1.00 11.81 N ATOM 981 CA ASP 127 10.681 23.099 19.712 1.00 12.78 C ATOM 982 C ASP 127 11.609 24.221 19.283 1.00 11.45 C ATOM 983 O ASP 127 12.018 25.036 20.109 1.00 11.65 O ATOM 984 CB ASP 127 11.543 21.892 20.057 1.00 16.39 C ATOM 985 CG ASP 127 10.747 20.749 20.639 1.00 24.15 C ATOM 986 OD1 ASP 127 9.771 20.992 21.373 1.00 23.70 O ATOM 987 OD2 ASP 127 11.105 19.588 20.361 1.00 30.27 O ATOM 988 N CYS 128 11.986 24.221 18.005 1.00 10.81 N ATOM 989 CA CYS 128 12.863 25.248 17.454 1.00 10.14 C ATOM 990 C CYS 128 12.139 26.592 17.445 1.00 10.56 C ATOM 991 O CYS 128 12.684 27.602 17.894 1.00 9.69 O ATOM 992 CB CYS 128 13.318 24.870 16.044 1.00 11.78 C ATOM 993 SG CYS 128 14.455 23.451 15.977 1.00 14.70 S ATOM 994 N ILE 129 10.905 26.601 16.959 1.00 10.85 N ATOM 995 CA ILE 129 10.102 27.821 16.937 1.00 10.18 C ATOM 996 C ILE 129 9.913 28.350 18.375 1.00 10.12 C ATOM 997 O ILE 129 10.077 29.549 18.633 1.00 9.85 O ATOM 998 CB ILE 129 8.737 27.560 16.250 1.00 10.21 C ATOM 999 CG1 ILE 129 8.947 27.319 14.759 1.00 11.65 C ATOM 1000 CG2 ILE 129 7.788 28.733 16.448 1.00 9.03 C ATOM 1001 CD1 ILE 129 7.760 26.718 14.087 1.00 14.38 C ATOM 1002 N GLU 130 9.619 27.458 19.319 1.00 9.38 N ATOM 1003 CA GLU 130 9.434 27.854 20.713 1.00 10.38 C ATOM 1004 C GLU 130 10.682 28.453 21.349 1.00 9.52 C ATOM 1005 O GLU 130 10.580 29.328 22.195 1.00 10.75 O ATOM 1006 CB GLU 130 8.937 26.681 21.560 1.00 10.07 C ATOM 1007 CG GLU 130 7.520 26.221 21.191 1.00 13.59 C ATOM 1008 CD GLU 130 6.486 27.348 21.200 1.00 10.53 C ATOM 1009 OE1 GLU 130 6.535 28.188 22.112 1.00 13.69 O ATOM 1010 OE2 GLU 130 5.630 27.397 20.292 1.00 14.75 O ATOM 1011 N PHE 131 11.853 27.961 20.958 1.00 11.26 N ATOM 1012 CA PHE 131 13.129 28.460 21.472 1.00 10.56 C ATOM 1013 C PHE 131 13.267 29.914 20.992 1.00 10.66 C ATOM 1014 O PHE 131 13.640 30.801 21.764 1.00 11.83 O ATOM 1015 CB PHE 131 14.268 27.566 20.948 1.00 9.83 C ATOM 1016 CG PHE 131 15.637 27.925 21.466 1.00 9.71 C ATOM 1017 CD1 PHE 131 15.972 27.728 22.797 1.00 12.38 C ATOM 1018 CD2 PHE 131 16.607 28.412 20.600 1.00 11.23 C ATOM 1019 CE1 PHE 131 17.267 28.010 23.268 1.00 12.11 C ATOM 1020 CE2 PHE 131 17.894 28.694 21.060 1.00 12.48 C ATOM 1021 CZ PHE 131 18.223 28.492 22.394 1.00 10.04 C ATOM 1022 N GLY 132 12.908 30.150 19.731 1.00 10.46 N ATOM 1023 CA GLY 132 12.950 31.485 19.164 1.00 11.65 C ATOM 1024 C GLY 132 12.008 32.403 19.936 1.00 13.41 C ATOM 1025 O GLY 132 12.362 33.544 20.240 1.00 13.94 O ATOM 1026 N LYS 133 10.819 31.904 20.279 1.00 13.53 N ATOM 1027 CA LYS 133 9.838 32.690 21.037 1.00 13.75 C ATOM 1028 C LYS 133 10.323 33.032 22.455 1.00 14.43 C ATOM 1029 O LYS 133 10.057 34.118 22.968 1.00 13.38 O ATOM 1030 CB LYS 133 8.474 31.983 21.066 1.00 12.27 C ATOM 1031 CG LYS 133 7.818 31.932 19.697 1.00 11.30 C ATOM 1032 CD LYS 133 6.356 31.516 19.729 1.00 11.31 C ATOM 1033 CE LYS 133 5.765 31.623 18.330 1.00 9.55 C ATOM 1034 NZ LYS 133 4.289 31.526 18.316 1.00 8.87 N ATOM 1035 N LYS 134 11.035 32.111 23.089 1.00 14.96 N ATOM 1036 CA LYS 134 11.567 32.362 24.420 1.00 16.58 C ATOM 1037 C LYS 134 12.620 33.467 24.364 1.00 16.21 C ATOM 1038 O LYS 134 12.667 34.324 25.241 1.00 17.21 O ATOM 1039 CB LYS 134 12.183 31.084 25.001 1.00 18.11 C ATOM 1040 CG LYS 134 11.162 30.122 25.550 1.00 23.61 C ATOM 1041 CD LYS 134 11.754 28.767 25.867 1.00 26.50 C ATOM 1042 CE LYS 134 10.710 27.865 26.523 1.00 30.37 C ATOM 1043 NZ LYS 134 9.425 27.769 25.734 1.00 30.30 N ATOM 1044 N ILE 135 13.458 33.445 23.329 1.00 16.41 N ATOM 1045 CA ILE 135 14.516 34.437 23.156 1.00 17.52 C ATOM 1046 C ILE 135 13.957 35.833 22.880 1.00 17.16 C ATOM 1047 O ILE 135 14.437 36.814 23.433 1.00 17.53 O ATOM 1048 CB ILE 135 15.492 34.033 22.014 1.00 19.02 C ATOM 1049 CG1 ILE 135 16.249 32.763 22.389 1.00 19.08 C ATOM 1050 CG2 ILE 135 16.492 35.165 21.727 1.00 21.38 C ATOM 1051 CD1 ILE 135 16.907 32.129 21.198 1.00 20.05 C ATOM 1052 N ALA 136 12.926 35.912 22.049 1.00 17.03 N ATOM 1053 CA ALA 136 12.309 37.191 21.714 1.00 19.29 C ATOM 1054 C ALA 136 11.530 37.755 22.900 1.00 22.14 C ATOM 1055 O ALA 136 11.079 38.894 22.865 1.00 24.99 O ATOM 1056 CB ALA 136 11.395 37.028 20.510 1.00 17.74 C ATOM 1057 N ASN 137 11.416 36.963 23.961 1.00 25.35 N ATOM 1058 CA ASN 137 10.679 37.342 25.165 1.00 30.47 C ATOM 1059 C ASN 137 11.595 37.785 26.312 1.00 32.22 C ATOM 1060 O ASN 137 11.131 38.006 27.433 1.00 32.77 O ATOM 1061 CB ASN 137 9.827 36.151 25.623 1.00 31.97 C ATOM 1062 CG ASN 137 8.582 36.573 26.364 1.00 35.96 C ATOM 1063 OD1 ASN 137 7.590 36.969 25.752 1.00 38.52 O ATOM 1064 ND2 ASN 137 8.616 36.478 27.685 1.00 36.88 N ATOM 1065 N ILE 138 12.891 37.889 26.032 1.00 35.58 N ATOM 1066 CA ILE 138 13.884 38.282 27.034 1.00 38.88 C ATOM 1067 C ILE 138 14.224 39.770 26.959 1.00 40.31 C ATOM 1068 O ILE 138 14.189 40.429 28.027 1.00 42.43 O ATOM 1069 CB ILE 138 15.184 37.443 26.890 1.00 37.87 C ATOM 1070 CG1 ILE 138 14.877 35.972 27.145 1.00 38.97 C ATOM 1071 CG2 ILE 138 16.234 37.900 27.886 1.00 39.40 C ATOM 1072 CD1 ILE 138 16.048 35.061 26.925 1.00 41.00 C ATOM 1073 OXT ILE 138 14.529 40.253 25.844 1.00 42.13 O TER 1074 ILE 138 HETATM 1075 N1 FMN 139 27.833 14.219 15.957 1.00 7.98 N HETATM 1076 C2 FMN 139 27.971 13.984 17.267 1.00 8.67 C HETATM 1077 O2 FMN 139 27.030 13.727 17.936 1.00 9.68 O HETATM 1078 N3 FMN 139 29.242 14.045 17.877 1.00 10.69 N HETATM 1079 C4 FMN 139 30.433 14.235 17.197 1.00 11.25 C HETATM 1080 O4 FMN 139 31.540 14.209 17.752 1.00 12.54 O HETATM 1081 C4A FMN 139 30.271 14.462 15.766 1.00 8.89 C HETATM 1082 N5 FMN 139 31.333 14.617 15.036 1.00 7.73 N HETATM 1083 C5A FMN 139 31.193 14.684 13.697 1.00 7.33 C HETATM 1084 C6 FMN 139 32.351 14.741 12.886 1.00 8.10 C HETATM 1085 C7 FMN 139 32.220 14.978 11.558 1.00 9.15 C HETATM 1086 C7M FMN 139 33.421 15.173 10.677 1.00 11.94 C HETATM 1087 C8 FMN 139 30.921 15.047 10.953 1.00 11.04 C HETATM 1088 C8M FMN 139 30.735 15.279 9.466 1.00 11.97 C HETATM 1089 C9 FMN 139 29.793 14.913 11.731 1.00 9.79 C HETATM 1090 C9A FMN 139 29.904 14.752 13.096 1.00 8.71 C HETATM 1091 N10 FMN 139 28.797 14.574 13.905 1.00 7.77 N HETATM 1092 C10 FMN 139 28.905 14.437 15.236 1.00 8.69 C HETATM 1093 C1* FMN 139 27.471 14.521 13.309 1.00 9.91 C HETATM 1094 C2* FMN 139 26.844 15.904 13.078 1.00 9.60 C HETATM 1095 O2* FMN 139 26.876 16.735 14.238 1.00 7.94 O HETATM 1096 C3* FMN 139 25.387 15.730 12.642 1.00 8.66 C HETATM 1097 O3* FMN 139 25.343 14.984 11.424 1.00 8.86 O HETATM 1098 C4* FMN 139 24.578 17.043 12.493 1.00 10.20 C HETATM 1099 O4* FMN 139 23.225 16.731 12.166 1.00 12.12 O HETATM 1100 C5* FMN 139 25.129 17.889 11.346 1.00 9.24 C HETATM 1101 O5* FMN 139 24.505 19.170 11.283 1.00 8.85 O HETATM 1102 P FMN 139 24.904 20.143 10.123 1.00 10.16 P HETATM 1103 O1P FMN 139 26.341 20.297 10.091 1.00 10.19 O HETATM 1104 O2P FMN 139 24.251 19.796 8.855 1.00 9.51 O HETATM 1105 O3P FMN 139 24.299 21.418 10.673 1.00 10.03 O HETATM 1106 O HOH 141 23.699 42.174 26.368 0.59 18.51 O HETATM 1107 O HOH 144 29.712 6.530 16.185 0.67 28.22 O HETATM 1108 O HOH 147 36.086 20.715 12.314 1.00 23.42 O HETATM 1109 O HOH 148 35.196 18.476 8.885 0.79 42.50 O HETATM 1110 O HOH 149 30.904 11.154 20.691 1.00 29.10 O HETATM 1111 O HOH 150 35.409 23.212 20.500 0.90 16.49 O HETATM 1112 O HOH 151 20.841 21.109 26.293 0.86 21.14 O HETATM 1113 O HOH 159 9.407 18.835 22.795 1.00 44.66 O HETATM 1114 O HOH 161 34.560 11.915 14.921 1.00 42.11 O HETATM 1115 O HOH 165 23.824 17.780 27.181 0.75 21.50 O HETATM 1116 O HOH 169 17.482 36.804 7.300 1.00 42.39 O HETATM 1117 O HOH 179 19.050 18.711 25.631 1.00 46.04 O HETATM 1118 O HOH 182 32.414 28.261 33.006 1.00 21.70 O HETATM 1119 O HOH 187 13.248 21.885 23.767 0.94 40.02 O HETATM 1120 O HOH 188 5.897 23.239 13.720 0.67 19.05 O HETATM 1121 O HOH 189 4.652 30.000 22.800 0.87 12.54 O HETATM 1122 O HOH 192 33.722 24.656 22.878 1.00 14.52 O HETATM 1123 O HOH 193 8.173 29.128 23.899 1.00 15.14 O HETATM 1124 O HOH 194 14.525 39.753 23.112 0.74 19.28 O HETATM 1125 O HOH 202 25.160 26.730 5.367 0.89 42.39 O HETATM 1126 O HOH 205 39.630 37.735 21.206 1.00 37.95 O HETATM 1127 O HOH 208 37.269 23.167 17.484 1.00 24.96 O HETATM 1128 O HOH 214 18.226 14.083 8.807 1.00 49.49 O HETATM 1129 O HOH 215 15.406 13.614 13.043 0.82 30.62 O HETATM 1130 O HOH 219 40.359 25.799 15.256 0.68 33.08 O HETATM 1131 O HOH 220 17.700 20.495 23.761 0.80 17.23 O HETATM 1132 O HOH 222 34.999 38.256 27.463 0.80 30.46 O HETATM 1133 O HOH 228 8.560 19.833 18.623 1.00 24.94 O HETATM 1134 O HOH 230 34.113 20.343 22.954 1.00 15.08 O HETATM 1135 O HOH 233 28.489 13.274 23.217 0.97 15.34 O HETATM 1136 O HOH 235 32.518 22.427 21.938 1.00 12.14 O HETATM 1137 O HOH 238 40.721 28.587 22.987 0.78 27.83 O HETATM 1138 O HOH 239 12.217 24.677 22.832 0.92 15.86 O HETATM 1139 O HOH 244 20.914 28.654 25.101 1.00 16.20 O HETATM 1140 O HOH 245 28.150 18.450 9.088 1.00 14.53 O HETATM 1141 O HOH 246 26.898 15.260 20.755 1.00 9.73 O HETATM 1142 O HOH 248 27.190 15.860 9.339 1.00 12.20 O HETATM 1143 O HOH 250 39.588 30.442 24.798 0.97 20.34 O HETATM 1144 O HOH 251 29.458 11.981 25.368 0.96 32.67 O HETATM 1145 O HOH 252 4.060 26.665 13.826 0.77 17.90 O HETATM 1146 O HOH 253 22.930 13.811 10.870 1.00 18.58 O HETATM 1147 O HOH 254 29.894 18.601 6.558 1.00 13.71 O HETATM 1148 O HOH 255 34.470 24.470 27.957 1.00 12.37 O HETATM 1149 O HOH 265 16.042 24.934 25.409 0.86 30.59 O HETATM 1150 O HOH 270 11.760 34.254 27.754 0.88 28.77 O HETATM 1151 O HOH 271 16.510 15.309 19.037 0.93 25.13 O HETATM 1152 O HOH 272 35.611 18.841 27.998 0.29 6.39 O HETATM 1153 O HOH 275 24.709 34.421 5.233 1.00 33.60 O HETATM 1154 O HOH 278 32.481 11.653 18.378 0.62 21.41 O HETATM 1155 O HOH 279 20.680 17.076 6.145 0.74 17.96 O HETATM 1156 O HOH 281 22.213 23.596 30.589 0.91 35.21 O HETATM 1157 O HOH 282 34.837 34.824 6.174 0.37 32.01 O HETATM 1158 O HOH 283 40.488 33.804 15.804 0.79 27.21 O HETATM 1159 O HOH 287 32.609 18.131 7.453 0.67 18.14 O HETATM 1160 O HOH 288 21.429 26.164 31.233 1.00 43.10 O HETATM 1161 O HOH 289 13.510 16.084 14.800 0.78 27.16 O HETATM 1162 O HOH 291 35.700 21.366 9.048 0.96 49.76 O HETATM 1163 O HOH 293 18.136 15.948 21.570 0.81 26.24 O HETATM 1164 O HOH 292 7.007 24.089 11.181 0.79 41.64 O HETATM 1165 O HOH 299 35.312 17.876 11.706 0.70 14.17 O HETATM 1166 O HOH 305 35.733 32.428 10.802 0.70 20.99 O HETATM 1167 O HOH 353 18.879 23.720 5.305 0.58 23.99 O HETATM 1168 O HOH 357 22.644 10.269 19.869 0.74 22.03 O HETATM 1169 O HOH 376 29.067 25.088 5.454 0.92 32.11 O HETATM 1170 O HOH 377 27.955 26.929 7.091 0.84 21.73 O HETATM 1171 O HOH 378 37.888 33.478 31.705 0.61 12.90 O HETATM 1172 O HOH 379 20.379 39.453 18.384 0.97 35.33 O HETATM 1173 O HOH 385 30.277 28.431 6.309 0.86 35.31 O HETATM 1174 O HOH 386 38.234 16.621 17.135 1.00 28.89 O HETATM 1175 O HOH 387 31.197 21.275 30.463 1.00 18.94 O HETATM 1176 O HOH 388 35.968 16.609 23.123 0.61 22.59 O HETATM 1177 O HOH 389 31.716 25.672 5.247 1.00 46.75 O HETATM 1178 O HOH 391 26.099 8.551 22.530 1.00 39.70 O HETATM 1179 O HOH 392 23.571 20.426 26.067 1.00 33.32 O HETATM 1180 O HOH 393 27.917 23.178 30.622 0.92 17.41 O HETATM 1181 O HOH 394 25.240 32.261 32.298 0.74 30.66 O HETATM 1182 O HOH 395 3.284 28.838 12.087 1.00 33.62 O HETATM 1183 O HOH 396 12.408 32.014 9.054 0.52 15.18 O HETATM 1184 O HOH 398 13.758 34.321 8.166 0.79 36.40 O HETATM 1185 O HOH 399 37.865 22.250 21.713 0.99 30.05 O HETATM 1186 O HOH 400 24.618 28.136 32.150 1.00 34.18 O HETATM 1187 O HOH 401 32.300 34.301 34.199 1.00 47.06 O HETATM 1188 O HOH 403 15.427 14.838 16.164 1.00 39.85 O HETATM 1189 O HOH 404 18.638 19.497 6.686 1.00 40.12 O HETATM 1190 O HOH 406 24.718 22.327 27.600 0.45 19.87 O HETATM 1191 O HOH 408 6.845 42.366 19.844 0.63 29.20 O HETATM 1192 O HOH 410 16.077 22.208 25.057 0.88 35.48 O HETATM 1193 O HOH 411 28.205 34.004 33.348 1.00 47.23 O HETATM 1194 O HOH 412 27.367 40.769 11.522 0.82 43.86 O HETATM 1195 O HOH 413 23.069 7.202 16.284 0.83 44.13 O HETATM 1196 O HOH 416 17.974 29.001 31.950 0.60 35.09 O HETATM 1197 O HOH 417 36.745 20.750 23.586 1.00 38.69 O HETATM 1198 O HOH 419 39.229 21.866 19.287 1.00 45.31 O HETATM 1199 O HOH 420 16.825 11.630 14.554 0.61 28.83 O HETATM 1200 O HOH 422 16.144 21.268 27.754 0.45 32.60 O HETATM 1201 O HOH 423 41.459 35.331 18.008 0.60 26.53 O HETATM 1202 O HOH 425 31.898 18.978 29.595 1.00 39.21 O HETATM 1203 O HOH 429 30.239 9.455 26.639 0.80 39.02 O CONECT 1075 1076 1092 CONECT 1076 1075 1077 1078 CONECT 1077 1076 CONECT 1078 1076 1079 CONECT 1079 1078 1080 1081 CONECT 1080 1079 CONECT 1081 1079 1082 1092 CONECT 1082 1081 1083 CONECT 1083 1082 1084 1090 CONECT 1084 1083 1085 CONECT 1085 1084 1086 1087 CONECT 1086 1085 CONECT 1087 1085 1088 1089 CONECT 1088 1087 CONECT 1089 1087 1090 CONECT 1090 1083 1089 1091 CONECT 1091 1090 1092 1093 CONECT 1092 1075 1081 1091 CONECT 1093 1091 1094 CONECT 1094 1093 1095 1096 CONECT 1095 1094 CONECT 1096 1094 1097 1098 CONECT 1097 1096 CONECT 1098 1096 1099 1100 CONECT 1099 1098 CONECT 1100 1098 1101 CONECT 1101 1100 1102 CONECT 1102 1101 1103 1104 1105 CONECT 1103 1102 CONECT 1104 1102 CONECT 1105 1102 MASTER 271 0 1 5 5 0 0 6 1202 1 31 11 END