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*** RIBONUCLEASE 06-OCT-99 1QMT ***elNémo ID: 2502041040431983891Job options:ID = 2502041040431983891 JOBID = RIBONUCLEASE 06-OCT-99 1QMT USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER RIBONUCLEASE 06-OCT-99 1QMT TITLE RECOMBINANT HUMAN EOSINOPHIL CATIONIC PROTEIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: EOSINOPHIL CATIONIC PROTEIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: RIBONUCLEASE 3, RNASE 3; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 TISSUE: BLOOD; SOURCE 6 CELL: EOSINOPHIL; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) KEYWDS EOSINOPHIL, RIBONUCLEASE, CYTOTOXICITY EXPDTA X-RAY DIFFRACTION AUTHOR E.BOIX,D.D.LEONIDAS,K.R.ACHARYA REVDAT 4 20-NOV-24 1QMT 1 REMARK REVDAT 3 01-MAY-24 1QMT 1 REMARK REVDAT 2 24-FEB-09 1QMT 1 VERSN REVDAT 1 04-FEB-00 1QMT 0 JRNL AUTH E.BOIX,D.D.LEONIDAS,Z.NIKOLOVSKI,M.V.NOGUES,C.M.CUCHILLO, JRNL AUTH 2 K.R.ACHARYA JRNL TITL THE CRYSTAL STRUCTURE OF EOSINOPHIL CATIONIC PROTEIN AT 2.4 JRNL TITL 2 A RESOLUTION JRNL REF BIOCHEMISTRY V. 38 16794 1999 JRNL REFN ISSN 0006-2960 JRNL PMID 10606511 JRNL DOI 10.1021/BI9919145 REMARK 2 REMARK 2 RESOLUTION. 2.40 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.40 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 10000000.000 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0010 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 95.4 REMARK 3 NUMBER OF REFLECTIONS : 6907 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.176 REMARK 3 FREE R VALUE : 0.229 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 8.000 REMARK 3 FREE R VALUE TEST SET COUNT : 552 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 : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.40 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.55 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 74.40 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 810 REMARK 3 BIN R VALUE (WORKING SET) : 0.3180 REMARK 3 BIN FREE R VALUE : 0.2960 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 7.20 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 63 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.037 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1102 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 27 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 41.20 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 38.80 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.00000 REMARK 3 B22 (A**2) : 0.00000 REMARK 3 B33 (A**2) : 0.00000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.27 REMARK 3 ESD FROM SIGMAA (A) : 0.38 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.32 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.34 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.010 REMARK 3 BOND ANGLES (DEGREES) : 1.500 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 28.10 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.780 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) : 2.280 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 3.750 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 4.150 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 6.380 ; 2.500 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 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : PARAM.WATER REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO REMARK 3 TOPOLOGY FILE 2 : TOPOW.WATER REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: BULK SOLVENT MODEL USED REMARK 4 REMARK 4 1QMT COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 06-OCT-99. REMARK 100 THE DEPOSITION ID IS D_1290004188. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 15-MAR-99 REMARK 200 TEMPERATURE (KELVIN) : 293.0 REMARK 200 PH : 8.00 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SRS REMARK 200 BEAMLINE : PX9.5 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.0 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 6916 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.400 REMARK 200 RESOLUTION RANGE LOW (A) : 40.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 95.7 REMARK 200 DATA REDUNDANCY : 4.930 REMARK 200 R MERGE (I) : 0.10700 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 10.7000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.40 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.49 REMARK 200 COMPLETENESS FOR SHELL (%) : 65.0 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.28700 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 3.500 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: X-PLOR 3.851 REMARK 200 STARTING MODEL: EOSINOPHIL DERIVED NEUROTOXIN STRUCTURE AT 1.8 REMARK 200 ANGSTROMS (COORDINATES NOT SUBMITTED) WAS PROVIDED BY S.MOSIMANN REMARK 200 AND M.N.G.JAMES AND USED FOR MOLECULAR REPLACEMENT. REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 53.20 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.30 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PH 8.00 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 63 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z REMARK 290 3555 -X+Y,-X,Z REMARK 290 4555 -X,-Y,Z+1/2 REMARK 290 5555 Y,-X+Y,Z+1/2 REMARK 290 6555 X-Y,X,Z+1/2 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 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 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 15.64050 REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 15.64050 REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 15.64050 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 300 REMARK: BIOLOGICAL_UNIT: MONOMER REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PQS REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A 17 113.87 -167.54 REMARK 500 GLN A 58 142.48 -38.64 REMARK 500 ASN A 65 75.85 -155.60 REMARK 500 ALA A 90 -103.02 -129.04 REMARK 500 ASN A 92 128.00 -29.56 REMARK 500 ILE A 93 38.75 -73.45 REMARK 500 ASN A 95 64.86 -115.33 REMARK 500 REMARK 500 REMARK: NULL REMARK 999 REMARK 999 SEQUENCE REMARK 999 SEQUENCE FOR 1QMT PDB CORRESPONDS TO RECOMBINANT HUMAN REMARK 999 ECP. IT INCLUDES THE COMPLETE NATIVE PROTEIN AND AN REMARK 999 ADDITIONAL MET AT THE N-TERMINAL. THE NATIVE ECP REMARK 999 (RESIDUES 1 -133) CORRESPONDS TO RESIDUES 28-160 OF THE ECP REMARK 999 PRECURSOR (SWS P12724). REMARK 999 RESIDUES 1-27 OF P12724 ARE THE SIGNAL PEPTIDE. DBREF 1QMT A 1 133 UNP P12724 ECP_HUMAN 28 160 SEQADV 1QMT MET A 0 UNP P12724 CLONING ARTIFACT SEQRES 1 A 134 MET ARG PRO PRO GLN PHE THR ARG ALA GLN TRP PHE ALA SEQRES 2 A 134 ILE GLN HIS ILE SER LEU ASN PRO PRO ARG CYS THR ILE SEQRES 3 A 134 ALA MET ARG ALA ILE ASN ASN TYR ARG TRP ARG CYS LYS SEQRES 4 A 134 ASN GLN ASN THR PHE LEU ARG THR THR PHE ALA ASN VAL SEQRES 5 A 134 VAL ASN VAL CYS GLY ASN GLN SER ILE ARG CYS PRO HIS SEQRES 6 A 134 ASN ARG THR LEU ASN ASN CYS HIS ARG SER ARG PHE ARG SEQRES 7 A 134 VAL PRO LEU LEU HIS CYS ASP LEU ILE ASN PRO GLY ALA SEQRES 8 A 134 GLN ASN ILE SER ASN CYS ARG TYR ALA ASP ARG PRO GLY SEQRES 9 A 134 ARG ARG PHE TYR VAL VAL ALA CYS ASP ASN ARG ASP PRO SEQRES 10 A 134 ARG ASP SER PRO ARG TYR PRO VAL VAL PRO VAL HIS LEU SEQRES 11 A 134 ASP THR THR ILE FORMUL 2 HOH *27(H2 O) HELIX 1 1 THR A 6 ILE A 16 1 11 HELIX 2 2 ARG A 22 MET A 27 1 6 HELIX 3 3 MET A 27 ASN A 32 1 6 HELIX 4 4 THR A 47 GLY A 56 1 10 HELIX 5 5 PRO A 63 ASN A 65 5 3 SHEET 1 A 3 GLN A 40 LEU A 44 0 SHEET 2 A 3 VAL A 78 LEU A 85 -1 N CYS A 83 O ASN A 41 SHEET 3 A 3 TYR A 98 ARG A 105 -1 N ARG A 105 O VAL A 78 SHEET 1 B 3 CYS A 71 ARG A 73 0 SHEET 2 B 3 TYR A 107 ALA A 110 -1 N VAL A 109 O HIS A 72 SHEET 3 B 3 HIS A 128 THR A 132 -1 N THR A 131 O VAL A 108 SHEET 1 C 2 CYS A 111 ASN A 113 0 SHEET 2 C 2 VAL A 124 PRO A 126 -1 N VAL A 125 O ASP A 112 SSBOND 1 CYS A 23 CYS A 83 1555 1555 2.02 SSBOND 2 CYS A 37 CYS A 96 1555 1555 2.00 SSBOND 3 CYS A 55 CYS A 111 1555 1555 2.03 SSBOND 4 CYS A 62 CYS A 71 1555 1555 2.02 CRYST1 100.159 100.159 31.281 90.00 90.00 120.00 P 63 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 0.009984 0.005764 0.000000 0.00000 SCALE2 0.000000 0.011529 0.000000 0.00000 SCALE3 0.000000 0.000000 0.031968 0.00000 ATOM 1 N MET A 0 48.735 0.342 0.884 1.00 55.23 N ATOM 2 CA MET A 0 49.607 -0.870 0.846 1.00 57.07 C ATOM 3 C MET A 0 50.655 -0.718 -0.245 1.00 56.01 C ATOM 4 O MET A 0 50.333 -0.560 -1.425 1.00 58.20 O ATOM 5 CB MET A 0 48.770 -2.124 0.590 1.00 57.99 C ATOM 6 CG MET A 0 48.564 -2.986 1.822 1.00 62.04 C ATOM 7 SD MET A 0 49.846 -4.239 1.967 1.00 73.23 S ATOM 8 CE MET A 0 49.159 -5.667 0.975 1.00 63.95 C ATOM 9 N ARG A 1 51.919 -0.769 0.149 1.00 53.47 N ATOM 10 CA ARG A 1 52.987 -0.610 -0.815 1.00 51.30 C ATOM 11 C ARG A 1 53.046 -1.740 -1.824 1.00 49.96 C ATOM 12 O ARG A 1 53.077 -2.916 -1.447 1.00 51.05 O ATOM 13 CB ARG A 1 54.334 -0.503 -0.106 1.00 50.53 C ATOM 14 CG ARG A 1 55.434 -0.066 -1.050 1.00 52.28 C ATOM 15 CD ARG A 1 56.763 -0.658 -0.684 1.00 54.57 C ATOM 16 NE ARG A 1 56.742 -1.307 0.623 1.00 57.94 N ATOM 17 CZ ARG A 1 57.078 -2.578 0.829 1.00 60.63 C ATOM 18 NH1 ARG A 1 57.460 -3.352 -0.189 1.00 60.18 N ATOM 19 NH2 ARG A 1 57.028 -3.078 2.057 1.00 61.47 N ATOM 20 N PRO A 2 53.045 -1.405 -3.127 1.00 48.95 N ATOM 21 CA PRO A 2 53.115 -2.470 -4.128 1.00 47.49 C ATOM 22 C PRO A 2 54.397 -3.257 -3.875 1.00 45.95 C ATOM 23 O PRO A 2 55.473 -2.672 -3.701 1.00 45.47 O ATOM 24 CB PRO A 2 53.132 -1.730 -5.465 1.00 46.42 C ATOM 25 CG PRO A 2 53.448 -0.321 -5.138 1.00 50.80 C ATOM 26 CD PRO A 2 52.974 -0.071 -3.744 1.00 51.58 C ATOM 27 N PRO A 3 54.286 -4.595 -3.816 1.00 44.75 N ATOM 28 CA PRO A 3 55.372 -5.561 -3.579 1.00 42.67 C ATOM 29 C PRO A 3 56.672 -5.392 -4.381 1.00 40.56 C ATOM 30 O PRO A 3 57.764 -5.578 -3.836 1.00 41.65 O ATOM 31 CB PRO A 3 54.707 -6.922 -3.839 1.00 43.22 C ATOM 32 CG PRO A 3 53.380 -6.615 -4.495 1.00 41.07 C ATOM 33 CD PRO A 3 52.989 -5.273 -3.984 1.00 43.13 C ATOM 34 N GLN A 4 56.558 -5.034 -5.659 1.00 37.77 N ATOM 35 CA GLN A 4 57.722 -4.866 -6.515 1.00 37.81 C ATOM 36 C GLN A 4 58.616 -3.677 -6.195 1.00 38.44 C ATOM 37 O GLN A 4 59.712 -3.574 -6.747 1.00 39.18 O ATOM 38 CB GLN A 4 57.294 -4.766 -7.973 1.00 39.37 C ATOM 39 CG GLN A 4 56.500 -3.537 -8.286 1.00 41.71 C ATOM 40 CD GLN A 4 55.026 -3.763 -8.080 1.00 48.60 C ATOM 41 OE1 GLN A 4 54.617 -4.396 -7.107 1.00 52.56 O ATOM 42 NE2 GLN A 4 54.210 -3.250 -8.998 1.00 49.51 N ATOM 43 N PHE A 5 58.152 -2.773 -5.332 1.00 36.10 N ATOM 44 CA PHE A 5 58.933 -1.591 -4.955 1.00 33.16 C ATOM 45 C PHE A 5 59.403 -1.720 -3.524 1.00 32.43 C ATOM 46 O PHE A 5 58.635 -2.158 -2.666 1.00 31.63 O ATOM 47 CB PHE A 5 58.096 -0.311 -5.053 1.00 34.48 C ATOM 48 CG PHE A 5 57.612 0.008 -6.443 1.00 35.94 C ATOM 49 CD1 PHE A 5 58.478 -0.039 -7.529 1.00 36.31 C ATOM 50 CD2 PHE A 5 56.277 0.348 -6.663 1.00 37.41 C ATOM 51 CE1 PHE A 5 58.023 0.243 -8.812 1.00 36.70 C ATOM 52 CE2 PHE A 5 55.813 0.633 -7.942 1.00 36.68 C ATOM 53 CZ PHE A 5 56.685 0.580 -9.017 1.00 38.78 C ATOM 54 N THR A 6 60.660 -1.353 -3.265 1.00 30.43 N ATOM 55 CA THR A 6 61.188 -1.407 -1.905 1.00 29.40 C ATOM 56 C THR A 6 60.588 -0.216 -1.143 1.00 29.75 C ATOM 57 O THR A 6 59.982 0.666 -1.750 1.00 30.85 O ATOM 58 CB THR A 6 62.720 -1.317 -1.893 1.00 29.37 C ATOM 59 OG1 THR A 6 63.129 0.040 -2.078 1.00 31.02 O ATOM 60 CG2 THR A 6 63.307 -2.157 -3.003 1.00 32.33 C ATOM 61 N ARG A 7 60.729 -0.186 0.178 1.00 30.57 N ATOM 62 CA ARG A 7 60.178 0.926 0.949 1.00 29.85 C ATOM 63 C ARG A 7 60.802 2.271 0.515 1.00 29.89 C ATOM 64 O ARG A 7 60.124 3.294 0.478 1.00 33.58 O ATOM 65 CB ARG A 7 60.405 0.694 2.447 1.00 28.84 C ATOM 66 CG ARG A 7 59.401 -0.269 3.101 1.00 32.38 C ATOM 67 CD ARG A 7 59.493 -0.269 4.649 1.00 33.06 C ATOM 68 NE ARG A 7 60.847 -0.585 5.119 1.00 35.59 N ATOM 69 CZ ARG A 7 61.281 -0.438 6.373 1.00 35.10 C ATOM 70 NH1 ARG A 7 60.487 0.023 7.327 1.00 33.43 N ATOM 71 NH2 ARG A 7 62.529 -0.754 6.676 1.00 36.95 N ATOM 72 N ALA A 8 62.088 2.266 0.175 1.00 28.20 N ATOM 73 CA ALA A 8 62.776 3.472 -0.248 1.00 24.05 C ATOM 74 C ALA A 8 62.312 3.950 -1.610 1.00 27.02 C ATOM 75 O ALA A 8 62.201 5.147 -1.827 1.00 29.16 O ATOM 76 CB ALA A 8 64.253 3.237 -0.280 1.00 23.15 C ATOM 77 N GLN A 9 62.046 3.035 -2.536 1.00 25.83 N ATOM 78 CA GLN A 9 61.606 3.453 -3.864 1.00 26.33 C ATOM 79 C GLN A 9 60.191 3.988 -3.820 1.00 26.44 C ATOM 80 O GLN A 9 59.867 4.941 -4.516 1.00 27.20 O ATOM 81 CB GLN A 9 61.655 2.298 -4.858 1.00 29.83 C ATOM 82 CG GLN A 9 63.054 1.766 -5.158 1.00 41.24 C ATOM 83 CD GLN A 9 63.042 0.352 -5.760 1.00 46.49 C ATOM 84 OE1 GLN A 9 61.988 -0.188 -6.122 1.00 48.56 O ATOM 85 NE2 GLN A 9 64.222 -0.247 -5.869 1.00 48.89 N ATOM 86 N TRP A 10 59.340 3.357 -3.017 1.00 26.07 N ATOM 87 CA TRP A 10 57.955 3.788 -2.889 1.00 23.02 C ATOM 88 C TRP A 10 57.978 5.192 -2.263 1.00 24.62 C ATOM 89 O TRP A 10 57.178 6.072 -2.612 1.00 27.99 O ATOM 90 CB TRP A 10 57.181 2.800 -2.011 1.00 20.91 C ATOM 91 CG TRP A 10 55.675 3.012 -2.016 1.00 26.47 C ATOM 92 CD1 TRP A 10 54.859 3.114 -0.918 1.00 24.17 C ATOM 93 CD2 TRP A 10 54.819 3.185 -3.164 1.00 25.35 C ATOM 94 NE1 TRP A 10 53.558 3.341 -1.309 1.00 27.14 N ATOM 95 CE2 TRP A 10 53.503 3.390 -2.678 1.00 26.80 C ATOM 96 CE3 TRP A 10 55.035 3.187 -4.551 1.00 26.66 C ATOM 97 CZ2 TRP A 10 52.409 3.597 -3.530 1.00 22.77 C ATOM 98 CZ3 TRP A 10 53.942 3.391 -5.399 1.00 25.87 C ATOM 99 CH2 TRP A 10 52.648 3.595 -4.882 1.00 24.40 C ATOM 100 N PHE A 11 58.910 5.403 -1.343 1.00 23.42 N ATOM 101 CA PHE A 11 59.064 6.696 -0.695 1.00 21.24 C ATOM 102 C PHE A 11 59.395 7.765 -1.733 1.00 19.89 C ATOM 103 O PHE A 11 58.771 8.814 -1.769 1.00 20.99 O ATOM 104 CB PHE A 11 60.179 6.635 0.356 1.00 23.35 C ATOM 105 CG PHE A 11 60.514 7.969 0.953 1.00 23.76 C ATOM 106 CD1 PHE A 11 59.717 8.514 1.960 1.00 21.90 C ATOM 107 CD2 PHE A 11 61.593 8.706 0.476 1.00 23.20 C ATOM 108 CE1 PHE A 11 59.984 9.761 2.472 1.00 17.34 C ATOM 109 CE2 PHE A 11 61.868 9.972 0.990 1.00 21.98 C ATOM 110 CZ PHE A 11 61.064 10.496 1.986 1.00 19.98 C ATOM 111 N ALA A 12 60.379 7.496 -2.579 1.00 21.96 N ATOM 112 CA ALA A 12 60.782 8.450 -3.609 1.00 23.92 C ATOM 113 C ALA A 12 59.679 8.730 -4.644 1.00 26.53 C ATOM 114 O ALA A 12 59.538 9.863 -5.118 1.00 29.62 O ATOM 115 CB ALA A 12 62.036 7.946 -4.315 1.00 21.80 C ATOM 116 N ILE A 13 58.905 7.700 -4.992 1.00 24.89 N ATOM 117 CA ILE A 13 57.828 7.828 -5.974 1.00 23.44 C ATOM 118 C ILE A 13 56.720 8.726 -5.440 1.00 24.86 C ATOM 119 O ILE A 13 56.141 9.531 -6.168 1.00 24.35 O ATOM 120 CB ILE A 13 57.215 6.446 -6.312 1.00 24.88 C ATOM 121 CG1 ILE A 13 58.227 5.622 -7.111 1.00 23.45 C ATOM 122 CG2 ILE A 13 55.879 6.617 -7.082 1.00 21.87 C ATOM 123 CD1 ILE A 13 57.826 4.174 -7.293 1.00 21.24 C ATOM 124 N GLN A 14 56.428 8.569 -4.157 1.00 24.19 N ATOM 125 CA GLN A 14 55.399 9.349 -3.516 1.00 21.91 C ATOM 126 C GLN A 14 55.845 10.746 -3.092 1.00 22.76 C ATOM 127 O GLN A 14 55.075 11.695 -3.224 1.00 28.19 O ATOM 128 CB GLN A 14 54.912 8.622 -2.271 1.00 19.03 C ATOM 129 CG GLN A 14 53.994 7.497 -2.515 1.00 16.99 C ATOM 130 CD GLN A 14 53.287 7.105 -1.245 1.00 24.97 C ATOM 131 OE1 GLN A 14 52.085 7.331 -1.079 1.00 26.96 O ATOM 132 NE2 GLN A 14 54.035 6.523 -0.327 1.00 24.01 N ATOM 133 N HIS A 15 57.078 10.891 -2.610 1.00 17.96 N ATOM 134 CA HIS A 15 57.499 12.182 -2.085 1.00 19.77 C ATOM 135 C HIS A 15 58.683 12.953 -2.625 1.00 23.97 C ATOM 136 O HIS A 15 58.933 14.050 -2.135 1.00 28.39 O ATOM 137 CB HIS A 15 57.705 12.069 -0.574 1.00 17.98 C ATOM 138 CG HIS A 15 56.602 11.354 0.131 1.00 19.05 C ATOM 139 ND1 HIS A 15 55.317 11.847 0.193 1.00 23.51 N ATOM 140 CD2 HIS A 15 56.574 10.152 0.753 1.00 20.71 C ATOM 141 CE1 HIS A 15 54.542 10.979 0.819 1.00 19.25 C ATOM 142 NE2 HIS A 15 55.281 9.942 1.171 1.00 20.63 N ATOM 143 N ILE A 16 59.420 12.433 -3.600 1.00 24.00 N ATOM 144 CA ILE A 16 60.576 13.182 -4.088 1.00 22.25 C ATOM 145 C ILE A 16 60.414 13.668 -5.496 1.00 22.61 C ATOM 146 O ILE A 16 60.226 12.872 -6.391 1.00 23.43 O ATOM 147 CB ILE A 16 61.863 12.343 -4.091 1.00 26.41 C ATOM 148 CG1 ILE A 16 62.093 11.708 -2.716 1.00 23.49 C ATOM 149 CG2 ILE A 16 63.036 13.223 -4.528 1.00 22.58 C ATOM 150 CD1 ILE A 16 62.730 12.627 -1.731 1.00 28.73 C ATOM 151 N SER A 17 60.506 14.974 -5.699 1.00 24.84 N ATOM 152 CA SER A 17 60.394 15.529 -7.045 1.00 27.58 C ATOM 153 C SER A 17 60.834 16.980 -7.046 1.00 26.99 C ATOM 154 O SER A 17 60.204 17.832 -6.436 1.00 28.49 O ATOM 155 CB SER A 17 58.955 15.415 -7.585 1.00 29.00 C ATOM 156 OG SER A 17 58.909 15.661 -8.995 1.00 27.79 O ATOM 157 N LEU A 18 61.932 17.240 -7.733 1.00 26.15 N ATOM 158 CA LEU A 18 62.500 18.566 -7.842 1.00 27.45 C ATOM 159 C LEU A 18 61.577 19.474 -8.631 1.00 30.50 C ATOM 160 O LEU A 18 61.280 20.610 -8.221 1.00 31.73 O ATOM 161 CB LEU A 18 63.829 18.477 -8.571 1.00 29.24 C ATOM 162 CG LEU A 18 65.039 19.181 -7.987 1.00 32.18 C ATOM 163 CD1 LEU A 18 65.140 18.943 -6.485 1.00 28.04 C ATOM 164 CD2 LEU A 18 66.265 18.651 -8.721 1.00 33.32 C ATOM 165 N ASN A 19 61.149 18.980 -9.788 1.00 30.92 N ATOM 166 CA ASN A 19 60.260 19.745 -10.657 1.00 33.12 C ATOM 167 C ASN A 19 59.028 18.921 -10.972 1.00 33.42 C ATOM 168 O ASN A 19 58.897 18.314 -12.043 1.00 35.70 O ATOM 169 CB ASN A 19 61.000 20.153 -11.927 1.00 31.53 C ATOM 170 CG ASN A 19 62.140 21.099 -11.634 1.00 34.14 C ATOM 171 OD1 ASN A 19 61.926 22.232 -11.177 1.00 35.58 O ATOM 172 ND2 ASN A 19 63.364 20.637 -11.869 1.00 31.83 N ATOM 173 N PRO A 20 58.089 18.909 -10.027 1.00 30.44 N ATOM 174 CA PRO A 20 56.860 18.157 -10.176 1.00 29.02 C ATOM 175 C PRO A 20 55.928 18.696 -11.229 1.00 29.22 C ATOM 176 O PRO A 20 55.910 19.891 -11.499 1.00 32.52 O ATOM 177 CB PRO A 20 56.223 18.240 -8.784 1.00 27.79 C ATOM 178 CG PRO A 20 57.290 18.762 -7.883 1.00 28.46 C ATOM 179 CD PRO A 20 58.119 19.629 -8.746 1.00 25.81 C ATOM 180 N PRO A 21 55.187 17.798 -11.889 1.00 30.66 N ATOM 181 CA PRO A 21 54.222 18.219 -12.905 1.00 28.79 C ATOM 182 C PRO A 21 52.978 18.564 -12.076 1.00 30.30 C ATOM 183 O PRO A 21 53.012 18.495 -10.842 1.00 27.98 O ATOM 184 CB PRO A 21 53.996 16.960 -13.739 1.00 27.96 C ATOM 185 CG PRO A 21 54.296 15.822 -12.807 1.00 28.43 C ATOM 186 CD PRO A 21 55.271 16.327 -11.769 1.00 29.48 C ATOM 187 N ARG A 22 51.890 18.931 -12.737 1.00 30.58 N ATOM 188 CA ARG A 22 50.658 19.234 -12.030 1.00 34.37 C ATOM 189 C ARG A 22 50.273 18.024 -11.170 1.00 33.31 C ATOM 190 O ARG A 22 50.457 16.867 -11.560 1.00 32.95 O ATOM 191 CB ARG A 22 49.546 19.531 -13.033 1.00 40.72 C ATOM 192 CG ARG A 22 49.133 20.991 -13.100 1.00 51.34 C ATOM 193 CD ARG A 22 48.035 21.152 -14.130 1.00 62.10 C ATOM 194 NE ARG A 22 48.344 20.415 -15.360 1.00 69.63 N ATOM 195 CZ ARG A 22 47.633 19.394 -15.842 1.00 74.22 C ATOM 196 NH1 ARG A 22 46.544 18.952 -15.209 1.00 71.84 N ATOM 197 NH2 ARG A 22 48.011 18.821 -16.981 1.00 75.03 N ATOM 198 N CYS A 23 49.728 18.294 -9.997 1.00 32.18 N ATOM 199 CA CYS A 23 49.341 17.230 -9.084 1.00 27.84 C ATOM 200 C CYS A 23 48.467 16.193 -9.725 1.00 26.19 C ATOM 201 O CYS A 23 48.642 15.009 -9.493 1.00 27.80 O ATOM 202 CB CYS A 23 48.596 17.811 -7.905 1.00 26.69 C ATOM 203 SG CYS A 23 49.710 18.555 -6.709 1.00 24.19 S ATOM 204 N THR A 24 47.510 16.645 -10.524 1.00 27.34 N ATOM 205 CA THR A 24 46.591 15.730 -11.165 1.00 23.95 C ATOM 206 C THR A 24 47.335 14.714 -12.002 1.00 24.84 C ATOM 207 O THR A 24 46.922 13.568 -12.090 1.00 27.56 O ATOM 208 CB THR A 24 45.595 16.478 -12.021 1.00 22.02 C ATOM 209 OG1 THR A 24 44.636 17.113 -11.168 1.00 25.79 O ATOM 210 CG2 THR A 24 44.860 15.522 -12.923 1.00 21.65 C ATOM 211 N ILE A 25 48.446 15.132 -12.592 1.00 25.13 N ATOM 212 CA ILE A 25 49.259 14.252 -13.405 1.00 21.83 C ATOM 213 C ILE A 25 50.186 13.407 -12.532 1.00 26.47 C ATOM 214 O ILE A 25 50.254 12.188 -12.678 1.00 30.14 O ATOM 215 CB ILE A 25 50.095 15.067 -14.374 1.00 23.09 C ATOM 216 CG1 ILE A 25 49.202 15.601 -15.474 1.00 27.88 C ATOM 217 CG2 ILE A 25 51.166 14.224 -15.006 1.00 17.46 C ATOM 218 CD1 ILE A 25 49.958 16.418 -16.474 1.00 37.72 C ATOM 219 N ALA A 26 50.902 14.056 -11.623 1.00 27.12 N ATOM 220 CA ALA A 26 51.835 13.366 -10.728 1.00 27.14 C ATOM 221 C ALA A 26 51.209 12.213 -9.914 1.00 28.86 C ATOM 222 O ALA A 26 51.794 11.127 -9.765 1.00 28.97 O ATOM 223 CB ALA A 26 52.475 14.391 -9.769 1.00 20.12 C ATOM 224 N MET A 27 50.018 12.460 -9.388 1.00 29.80 N ATOM 225 CA MET A 27 49.327 11.488 -8.563 1.00 30.25 C ATOM 226 C MET A 27 48.816 10.253 -9.286 1.00 29.89 C ATOM 227 O MET A 27 48.502 9.254 -8.644 1.00 30.89 O ATOM 228 CB MET A 27 48.167 12.176 -7.843 1.00 27.38 C ATOM 229 CG MET A 27 48.613 13.282 -6.902 1.00 23.62 C ATOM 230 SD MET A 27 49.613 12.624 -5.577 1.00 23.62 S ATOM 231 CE MET A 27 48.435 11.569 -4.773 1.00 20.94 C ATOM 232 N ARG A 28 48.735 10.308 -10.608 1.00 30.42 N ATOM 233 CA ARG A 28 48.227 9.176 -11.364 1.00 35.21 C ATOM 234 C ARG A 28 48.939 7.874 -11.019 1.00 35.82 C ATOM 235 O ARG A 28 48.304 6.892 -10.627 1.00 36.40 O ATOM 236 CB ARG A 28 48.348 9.449 -12.861 1.00 43.64 C ATOM 237 CG ARG A 28 47.003 9.577 -13.556 1.00 53.56 C ATOM 238 CD ARG A 28 47.135 10.149 -14.964 1.00 63.33 C ATOM 239 NE ARG A 28 46.442 11.433 -15.142 1.00 71.90 N ATOM 240 CZ ARG A 28 45.180 11.695 -14.781 1.00 75.73 C ATOM 241 NH1 ARG A 28 44.420 10.766 -14.202 1.00 78.60 N ATOM 242 NH2 ARG A 28 44.662 12.896 -15.024 1.00 75.05 N ATOM 243 N ALA A 29 50.259 7.879 -11.158 1.00 33.08 N ATOM 244 CA ALA A 29 51.078 6.706 -10.880 1.00 32.07 C ATOM 245 C ALA A 29 50.964 6.166 -9.454 1.00 31.28 C ATOM 246 O ALA A 29 51.166 4.981 -9.214 1.00 33.33 O ATOM 247 CB ALA A 29 52.533 7.021 -11.194 1.00 36.39 C ATOM 248 N ILE A 30 50.654 7.027 -8.501 1.00 29.87 N ATOM 249 CA ILE A 30 50.527 6.586 -7.122 1.00 29.01 C ATOM 250 C ILE A 30 49.178 5.923 -6.855 1.00 27.47 C ATOM 251 O ILE A 30 49.102 4.891 -6.199 1.00 25.33 O ATOM 252 CB ILE A 30 50.683 7.773 -6.151 1.00 29.64 C ATOM 253 CG1 ILE A 30 52.123 8.305 -6.205 1.00 28.36 C ATOM 254 CG2 ILE A 30 50.276 7.356 -4.744 1.00 25.61 C ATOM 255 CD1 ILE A 30 52.288 9.729 -5.644 1.00 27.75 C ATOM 256 N ASN A 31 48.112 6.534 -7.360 1.00 30.33 N ATOM 257 CA ASN A 31 46.759 6.020 -7.159 1.00 29.40 C ATOM 258 C ASN A 31 46.537 4.737 -7.913 1.00 31.67 C ATOM 259 O ASN A 31 45.605 3.981 -7.630 1.00 30.92 O ATOM 260 CB ASN A 31 45.740 7.045 -7.619 1.00 26.14 C ATOM 261 CG ASN A 31 45.596 8.183 -6.647 1.00 28.87 C ATOM 262 OD1 ASN A 31 45.676 7.995 -5.427 1.00 29.29 O ATOM 263 ND2 ASN A 31 45.383 9.375 -7.175 1.00 27.77 N ATOM 264 N ASN A 32 47.397 4.495 -8.890 1.00 33.90 N ATOM 265 CA ASN A 32 47.277 3.295 -9.687 1.00 34.74 C ATOM 266 C ASN A 32 47.332 2.059 -8.794 1.00 33.59 C ATOM 267 O ASN A 32 46.706 1.045 -9.095 1.00 33.68 O ATOM 268 CB ASN A 32 48.385 3.250 -10.732 1.00 36.56 C ATOM 269 CG ASN A 32 48.273 2.048 -11.621 1.00 40.09 C ATOM 270 OD1 ASN A 32 48.881 1.020 -11.356 1.00 36.44 O ATOM 271 ND2 ASN A 32 47.482 2.164 -12.686 1.00 47.03 N ATOM 272 N TYR A 33 48.060 2.158 -7.686 1.00 31.46 N ATOM 273 CA TYR A 33 48.195 1.046 -6.756 1.00 31.26 C ATOM 274 C TYR A 33 47.307 1.211 -5.541 1.00 33.48 C ATOM 275 O TYR A 33 47.564 0.618 -4.491 1.00 38.51 O ATOM 276 CB TYR A 33 49.638 0.917 -6.298 1.00 26.75 C ATOM 277 CG TYR A 33 50.588 0.784 -7.444 1.00 30.74 C ATOM 278 CD1 TYR A 33 50.902 -0.469 -7.962 1.00 28.55 C ATOM 279 CD2 TYR A 33 51.155 1.915 -8.041 1.00 29.96 C ATOM 280 CE1 TYR A 33 51.765 -0.601 -9.056 1.00 33.60 C ATOM 281 CE2 TYR A 33 52.020 1.801 -9.137 1.00 32.87 C ATOM 282 CZ TYR A 33 52.324 0.539 -9.640 1.00 37.34 C ATOM 283 OH TYR A 33 53.197 0.402 -10.707 1.00 43.37 O ATOM 284 N ARG A 34 46.260 2.009 -5.663 1.00 29.35 N ATOM 285 CA ARG A 34 45.395 2.207 -4.522 1.00 28.52 C ATOM 286 C ARG A 34 43.991 1.831 -4.905 1.00 29.51 C ATOM 287 O ARG A 34 43.660 1.789 -6.091 1.00 30.13 O ATOM 288 CB ARG A 34 45.399 3.671 -4.090 1.00 30.48 C ATOM 289 CG ARG A 34 46.722 4.222 -3.601 1.00 29.12 C ATOM 290 CD ARG A 34 46.497 5.622 -3.046 1.00 30.01 C ATOM 291 NE ARG A 34 46.723 5.683 -1.606 1.00 33.71 N ATOM 292 CZ ARG A 34 45.758 5.802 -0.703 1.00 34.00 C ATOM 293 NH1 ARG A 34 44.489 5.872 -1.081 1.00 37.59 N ATOM 294 NH2 ARG A 34 46.060 5.872 0.583 1.00 40.67 N ATOM 295 N TRP A 35 43.167 1.567 -3.895 1.00 29.95 N ATOM 296 CA TRP A 35 41.768 1.235 -4.114 1.00 31.95 C ATOM 297 C TRP A 35 41.002 2.546 -4.309 1.00 32.38 C ATOM 298 O TRP A 35 40.166 2.667 -5.199 1.00 33.79 O ATOM 299 CB TRP A 35 41.210 0.484 -2.910 1.00 28.89 C ATOM 300 CG TRP A 35 39.814 -0.036 -3.129 1.00 35.33 C ATOM 301 CD1 TRP A 35 38.679 0.339 -2.451 1.00 35.59 C ATOM 302 CD2 TRP A 35 39.413 -1.087 -4.033 1.00 37.31 C ATOM 303 NE1 TRP A 35 37.606 -0.417 -2.871 1.00 39.12 N ATOM 304 CE2 TRP A 35 38.026 -1.300 -3.837 1.00 38.35 C ATOM 305 CE3 TRP A 35 40.091 -1.870 -4.986 1.00 34.01 C ATOM 306 CZ2 TRP A 35 37.301 -2.274 -4.562 1.00 36.72 C ATOM 307 CZ3 TRP A 35 39.369 -2.836 -5.704 1.00 33.50 C ATOM 308 CH2 TRP A 35 37.989 -3.027 -5.484 1.00 36.58 C ATOM 309 N ARG A 36 41.306 3.521 -3.458 1.00 33.68 N ATOM 310 CA ARG A 36 40.682 4.838 -3.501 1.00 34.27 C ATOM 311 C ARG A 36 41.755 5.922 -3.599 1.00 31.57 C ATOM 312 O ARG A 36 42.867 5.756 -3.118 1.00 34.43 O ATOM 313 CB ARG A 36 39.841 5.053 -2.244 1.00 36.69 C ATOM 314 CG ARG A 36 38.573 4.210 -2.209 1.00 42.56 C ATOM 315 CD ARG A 36 37.641 4.572 -3.371 1.00 45.95 C ATOM 316 NE ARG A 36 36.453 3.715 -3.434 1.00 46.18 N ATOM 317 CZ ARG A 36 36.333 2.650 -4.225 1.00 44.47 C ATOM 318 NH1 ARG A 36 37.335 2.292 -5.027 1.00 39.19 N ATOM 319 NH2 ARG A 36 35.212 1.943 -4.207 1.00 39.30 N ATOM 320 N CYS A 37 41.412 7.035 -4.225 1.00 31.77 N ATOM 321 CA CYS A 37 42.340 8.141 -4.401 1.00 28.09 C ATOM 322 C CYS A 37 42.867 8.768 -3.129 1.00 28.95 C ATOM 323 O CYS A 37 42.111 9.036 -2.185 1.00 31.57 O ATOM 324 CB CYS A 37 41.679 9.200 -5.243 1.00 29.17 C ATOM 325 SG CYS A 37 41.947 8.810 -6.983 1.00 36.89 S ATOM 326 N LYS A 38 44.172 9.018 -3.111 1.00 26.45 N ATOM 327 CA LYS A 38 44.809 9.614 -1.945 1.00 26.34 C ATOM 328 C LYS A 38 44.332 11.057 -1.674 1.00 28.76 C ATOM 329 O LYS A 38 44.398 11.955 -2.527 1.00 27.76 O ATOM 330 CB LYS A 38 46.332 9.567 -2.105 1.00 24.17 C ATOM 331 CG LYS A 38 47.075 9.212 -0.834 1.00 23.01 C ATOM 332 CD LYS A 38 48.539 9.538 -0.965 1.00 25.40 C ATOM 333 CE LYS A 38 49.203 9.582 0.405 1.00 33.06 C ATOM 334 NZ LYS A 38 50.693 9.620 0.326 1.00 34.03 N ATOM 335 N ASN A 39 43.842 11.250 -0.462 1.00 28.18 N ATOM 336 CA ASN A 39 43.333 12.526 -0.004 1.00 28.73 C ATOM 337 C ASN A 39 44.314 13.679 -0.144 1.00 27.59 C ATOM 338 O ASN A 39 43.977 14.775 -0.591 1.00 25.40 O ATOM 339 CB ASN A 39 42.961 12.391 1.453 1.00 32.46 C ATOM 340 CG ASN A 39 41.706 13.089 1.769 1.00 45.08 C ATOM 341 OD1 ASN A 39 41.620 13.797 2.774 1.00 55.08 O ATOM 342 ND2 ASN A 39 40.697 12.912 0.911 1.00 49.95 N ATOM 343 N GLN A 40 45.542 13.430 0.259 1.00 25.52 N ATOM 344 CA GLN A 40 46.525 14.467 0.211 1.00 25.38 C ATOM 345 C GLN A 40 47.907 13.850 0.124 1.00 24.78 C ATOM 346 O GLN A 40 48.183 12.815 0.729 1.00 24.42 O ATOM 347 CB GLN A 40 46.368 15.323 1.464 1.00 27.45 C ATOM 348 CG GLN A 40 47.625 15.539 2.248 1.00 43.11 C ATOM 349 CD GLN A 40 48.027 16.992 2.229 1.00 51.72 C ATOM 350 OE1 GLN A 40 47.478 17.811 2.979 1.00 55.19 O ATOM 351 NE2 GLN A 40 48.977 17.331 1.360 1.00 51.11 N ATOM 352 N ASN A 41 48.771 14.479 -0.654 1.00 23.97 N ATOM 353 CA ASN A 41 50.127 13.995 -0.798 1.00 24.88 C ATOM 354 C ASN A 41 51.067 15.180 -0.886 1.00 24.57 C ATOM 355 O ASN A 41 50.719 16.214 -1.471 1.00 25.09 O ATOM 356 CB ASN A 41 50.277 13.125 -2.061 1.00 26.62 C ATOM 357 CG ASN A 41 51.569 12.312 -2.056 1.00 25.46 C ATOM 358 OD1 ASN A 41 51.751 11.423 -1.218 1.00 27.07 O ATOM 359 ND2 ASN A 41 52.475 12.625 -2.977 1.00 19.06 N ATOM 360 N THR A 42 52.260 15.021 -0.311 1.00 22.32 N ATOM 361 CA THR A 42 53.270 16.066 -0.336 1.00 21.97 C ATOM 362 C THR A 42 54.561 15.659 -1.041 1.00 21.22 C ATOM 363 O THR A 42 55.162 14.633 -0.727 1.00 21.14 O ATOM 364 CB THR A 42 53.649 16.521 1.094 1.00 20.84 C ATOM 365 OG1 THR A 42 52.480 16.992 1.774 1.00 24.11 O ATOM 366 CG2 THR A 42 54.683 17.654 1.037 1.00 21.67 C ATOM 367 N PHE A 43 54.981 16.468 -2.005 1.00 21.34 N ATOM 368 CA PHE A 43 56.241 16.229 -2.688 1.00 21.84 C ATOM 369 C PHE A 43 57.264 17.206 -2.117 1.00 24.18 C ATOM 370 O PHE A 43 56.969 18.386 -1.927 1.00 26.41 O ATOM 371 CB PHE A 43 56.120 16.471 -4.182 1.00 20.00 C ATOM 372 CG PHE A 43 55.345 15.414 -4.898 1.00 25.48 C ATOM 373 CD1 PHE A 43 55.953 14.202 -5.243 1.00 24.31 C ATOM 374 CD2 PHE A 43 54.007 15.625 -5.237 1.00 23.18 C ATOM 375 CE1 PHE A 43 55.249 13.214 -5.918 1.00 19.94 C ATOM 376 CE2 PHE A 43 53.292 14.651 -5.910 1.00 26.33 C ATOM 377 CZ PHE A 43 53.918 13.432 -6.255 1.00 25.13 C ATOM 378 N LEU A 44 58.450 16.700 -1.806 1.00 23.84 N ATOM 379 CA LEU A 44 59.527 17.531 -1.302 1.00 20.53 C ATOM 380 C LEU A 44 60.338 17.851 -2.543 1.00 20.24 C ATOM 381 O LEU A 44 60.748 16.965 -3.281 1.00 20.37 O ATOM 382 CB LEU A 44 60.382 16.762 -0.294 1.00 20.25 C ATOM 383 CG LEU A 44 59.600 16.068 0.823 1.00 21.47 C ATOM 384 CD1 LEU A 44 60.465 15.002 1.415 1.00 25.47 C ATOM 385 CD2 LEU A 44 59.193 17.064 1.903 1.00 18.45 C ATOM 386 N ARG A 45 60.537 19.131 -2.799 1.00 24.44 N ATOM 387 CA ARG A 45 61.292 19.531 -3.962 1.00 24.47 C ATOM 388 C ARG A 45 62.775 19.514 -3.611 1.00 26.70 C ATOM 389 O ARG A 45 63.393 20.543 -3.328 1.00 27.93 O ATOM 390 CB ARG A 45 60.806 20.901 -4.436 1.00 18.34 C ATOM 391 CG ARG A 45 59.309 20.888 -4.702 1.00 16.68 C ATOM 392 CD ARG A 45 58.851 22.085 -5.485 1.00 19.62 C ATOM 393 NE ARG A 45 59.552 22.196 -6.755 1.00 26.09 N ATOM 394 CZ ARG A 45 59.344 23.175 -7.632 1.00 24.70 C ATOM 395 NH1 ARG A 45 58.456 24.114 -7.361 1.00 23.14 N ATOM 396 NH2 ARG A 45 60.023 23.215 -8.776 1.00 23.35 N ATOM 397 N THR A 46 63.321 18.302 -3.599 1.00 26.78 N ATOM 398 CA THR A 46 64.722 18.071 -3.309 1.00 26.83 C ATOM 399 C THR A 46 65.163 16.818 -4.082 1.00 30.54 C ATOM 400 O THR A 46 64.453 16.350 -4.980 1.00 32.26 O ATOM 401 CB THR A 46 64.946 17.909 -1.790 1.00 26.17 C ATOM 402 OG1 THR A 46 66.341 17.737 -1.530 1.00 30.77 O ATOM 403 CG2 THR A 46 64.183 16.720 -1.241 1.00 27.43 C ATOM 404 N THR A 47 66.336 16.285 -3.761 1.00 33.58 N ATOM 405 CA THR A 47 66.840 15.087 -4.444 1.00 32.88 C ATOM 406 C THR A 47 66.862 13.943 -3.450 1.00 31.96 C ATOM 407 O THR A 47 66.898 14.180 -2.237 1.00 31.59 O ATOM 408 CB THR A 47 68.286 15.284 -4.941 1.00 31.44 C ATOM 409 OG1 THR A 47 69.144 15.505 -3.813 1.00 33.99 O ATOM 410 CG2 THR A 47 68.376 16.467 -5.866 1.00 28.24 C ATOM 411 N PHE A 48 66.846 12.710 -3.949 1.00 31.62 N ATOM 412 CA PHE A 48 66.900 11.564 -3.052 1.00 34.46 C ATOM 413 C PHE A 48 68.202 11.640 -2.242 1.00 35.57 C ATOM 414 O PHE A 48 68.200 11.474 -1.024 1.00 36.93 O ATOM 415 CB PHE A 48 66.850 10.253 -3.839 1.00 35.52 C ATOM 416 CG PHE A 48 66.828 9.018 -2.964 1.00 39.64 C ATOM 417 CD1 PHE A 48 65.622 8.498 -2.496 1.00 39.34 C ATOM 418 CD2 PHE A 48 68.012 8.383 -2.596 1.00 39.20 C ATOM 419 CE1 PHE A 48 65.596 7.368 -1.678 1.00 38.31 C ATOM 420 CE2 PHE A 48 67.992 7.249 -1.774 1.00 39.29 C ATOM 421 CZ PHE A 48 66.783 6.744 -1.317 1.00 37.42 C ATOM 422 N ALA A 49 69.311 11.912 -2.918 1.00 36.76 N ATOM 423 CA ALA A 49 70.602 12.016 -2.241 1.00 38.73 C ATOM 424 C ALA A 49 70.543 12.935 -1.020 1.00 37.55 C ATOM 425 O ALA A 49 71.100 12.626 0.033 1.00 36.74 O ATOM 426 CB ALA A 49 71.647 12.522 -3.216 1.00 40.52 C ATOM 427 N ASN A 50 69.861 14.065 -1.169 1.00 40.52 N ATOM 428 CA ASN A 50 69.735 15.041 -0.083 1.00 42.12 C ATOM 429 C ASN A 50 68.937 14.556 1.128 1.00 39.53 C ATOM 430 O ASN A 50 69.174 15.005 2.254 1.00 37.67 O ATOM 431 CB ASN A 50 69.107 16.338 -0.607 1.00 45.72 C ATOM 432 CG ASN A 50 70.145 17.394 -0.945 1.00 47.40 C ATOM 433 OD1 ASN A 50 70.109 17.988 -2.024 1.00 47.20 O ATOM 434 ND2 ASN A 50 71.078 17.633 -0.020 1.00 48.53 N ATOM 435 N VAL A 51 67.980 13.660 0.908 1.00 38.57 N ATOM 436 CA VAL A 51 67.181 13.143 2.022 1.00 35.36 C ATOM 437 C VAL A 51 68.005 12.082 2.777 1.00 34.66 C ATOM 438 O VAL A 51 67.919 11.961 4.002 1.00 30.95 O ATOM 439 CB VAL A 51 65.824 12.541 1.523 1.00 33.00 C ATOM 440 CG1 VAL A 51 64.999 12.077 2.703 1.00 21.57 C ATOM 441 CG2 VAL A 51 65.047 13.584 0.713 1.00 26.82 C ATOM 442 N VAL A 52 68.817 11.331 2.038 1.00 32.10 N ATOM 443 CA VAL A 52 69.659 10.318 2.642 1.00 31.85 C ATOM 444 C VAL A 52 70.617 11.003 3.616 1.00 35.69 C ATOM 445 O VAL A 52 71.055 10.394 4.587 1.00 38.44 O ATOM 446 CB VAL A 52 70.472 9.572 1.574 1.00 34.96 C ATOM 447 CG1 VAL A 52 71.590 8.794 2.231 1.00 34.92 C ATOM 448 CG2 VAL A 52 69.558 8.639 0.760 1.00 31.74 C ATOM 449 N ASN A 53 70.940 12.271 3.368 1.00 38.38 N ATOM 450 CA ASN A 53 71.839 13.003 4.267 1.00 43.20 C ATOM 451 C ASN A 53 71.135 13.291 5.575 1.00 43.00 C ATOM 452 O ASN A 53 71.727 13.198 6.650 1.00 44.77 O ATOM 453 CB ASN A 53 72.281 14.333 3.654 1.00 49.98 C ATOM 454 CG ASN A 53 73.333 14.157 2.578 1.00 60.40 C ATOM 455 OD1 ASN A 53 74.031 13.132 2.527 1.00 64.07 O ATOM 456 ND2 ASN A 53 73.453 15.155 1.701 1.00 62.90 N ATOM 457 N VAL A 54 69.867 13.671 5.474 1.00 41.87 N ATOM 458 CA VAL A 54 69.062 13.962 6.653 1.00 37.21 C ATOM 459 C VAL A 54 69.098 12.714 7.523 1.00 37.12 C ATOM 460 O VAL A 54 69.232 12.789 8.739 1.00 36.26 O ATOM 461 CB VAL A 54 67.603 14.265 6.251 1.00 35.28 C ATOM 462 CG1 VAL A 54 66.784 14.662 7.476 1.00 32.35 C ATOM 463 CG2 VAL A 54 67.585 15.358 5.200 1.00 31.52 C ATOM 464 N CYS A 55 68.989 11.563 6.869 1.00 36.08 N ATOM 465 CA CYS A 55 69.003 10.273 7.542 1.00 38.16 C ATOM 466 C CYS A 55 70.247 10.115 8.403 1.00 40.77 C ATOM 467 O CYS A 55 70.214 9.503 9.469 1.00 40.98 O ATOM 468 CB CYS A 55 68.960 9.149 6.502 1.00 35.00 C ATOM 469 SG CYS A 55 67.320 8.860 5.762 1.00 33.61 S ATOM 470 N GLY A 56 71.348 10.687 7.942 1.00 44.31 N ATOM 471 CA GLY A 56 72.589 10.564 8.675 1.00 46.78 C ATOM 472 C GLY A 56 72.777 11.411 9.917 1.00 47.95 C ATOM 473 O GLY A 56 73.766 11.236 10.628 1.00 51.41 O ATOM 474 N ASN A 57 71.863 12.320 10.215 1.00 47.62 N ATOM 475 CA ASN A 57 72.095 13.123 11.394 1.00 49.57 C ATOM 476 C ASN A 57 71.387 12.686 12.653 1.00 49.27 C ATOM 477 O ASN A 57 70.903 11.567 12.762 1.00 51.26 O ATOM 478 CB ASN A 57 71.808 14.599 11.108 1.00 53.93 C ATOM 479 CG ASN A 57 70.360 14.871 10.818 1.00 57.10 C ATOM 480 OD1 ASN A 57 70.042 15.728 9.992 1.00 61.58 O ATOM 481 ND2 ASN A 57 69.467 14.161 11.498 1.00 56.49 N ATOM 482 N GLN A 58 71.364 13.587 13.619 1.00 50.21 N ATOM 483 CA GLN A 58 70.743 13.336 14.897 1.00 52.80 C ATOM 484 C GLN A 58 69.468 12.541 14.723 1.00 52.20 C ATOM 485 O GLN A 58 68.731 12.737 13.769 1.00 56.20 O ATOM 486 CB GLN A 58 70.440 14.666 15.588 1.00 59.53 C ATOM 487 CG GLN A 58 71.100 14.815 16.940 1.00 66.64 C ATOM 488 CD GLN A 58 70.677 13.719 17.888 1.00 71.20 C ATOM 489 OE1 GLN A 58 69.602 13.793 18.490 1.00 75.98 O ATOM 490 NE2 GLN A 58 71.511 12.685 18.021 1.00 70.80 N ATOM 491 N SER A 59 69.221 11.632 15.651 1.00 49.53 N ATOM 492 CA SER A 59 68.031 10.811 15.620 1.00 45.10 C ATOM 493 C SER A 59 67.002 11.428 16.571 1.00 44.34 C ATOM 494 O SER A 59 67.366 11.984 17.605 1.00 46.83 O ATOM 495 CB SER A 59 68.388 9.401 16.082 1.00 45.48 C ATOM 496 OG SER A 59 67.635 8.425 15.388 1.00 51.35 O ATOM 497 N ILE A 60 65.723 11.360 16.218 1.00 40.06 N ATOM 498 CA ILE A 60 64.680 11.882 17.094 1.00 36.81 C ATOM 499 C ILE A 60 63.515 10.901 17.078 1.00 33.95 C ATOM 500 O ILE A 60 63.405 10.083 16.173 1.00 34.80 O ATOM 501 CB ILE A 60 64.184 13.316 16.651 1.00 39.13 C ATOM 502 CG1 ILE A 60 63.172 13.210 15.499 1.00 38.94 C ATOM 503 CG2 ILE A 60 65.377 14.184 16.255 1.00 40.66 C ATOM 504 CD1 ILE A 60 63.045 14.460 14.642 1.00 29.51 C ATOM 505 N ARG A 61 62.662 10.956 18.092 1.00 34.39 N ATOM 506 CA ARG A 61 61.500 10.081 18.131 1.00 35.88 C ATOM 507 C ARG A 61 60.581 10.620 17.050 1.00 37.91 C ATOM 508 O ARG A 61 60.528 11.830 16.822 1.00 41.55 O ATOM 509 CB ARG A 61 60.815 10.148 19.494 1.00 35.10 C ATOM 510 CG ARG A 61 61.003 8.893 20.302 1.00 35.97 C ATOM 511 CD ARG A 61 60.774 9.107 21.784 1.00 36.92 C ATOM 512 NE ARG A 61 61.671 8.258 22.567 1.00 43.15 N ATOM 513 CZ ARG A 61 61.637 6.926 22.585 1.00 42.54 C ATOM 514 NH1 ARG A 61 60.748 6.256 21.865 1.00 42.89 N ATOM 515 NH2 ARG A 61 62.514 6.256 23.313 1.00 46.45 N ATOM 516 N CYS A 62 59.874 9.735 16.367 1.00 36.33 N ATOM 517 CA CYS A 62 58.989 10.171 15.300 1.00 35.57 C ATOM 518 C CYS A 62 57.775 10.889 15.861 1.00 37.28 C ATOM 519 O CYS A 62 57.033 10.332 16.662 1.00 39.94 O ATOM 520 CB CYS A 62 58.534 8.974 14.479 1.00 34.10 C ATOM 521 SG CYS A 62 59.838 8.307 13.405 1.00 30.82 S ATOM 522 N PRO A 63 57.562 12.145 15.450 1.00 36.92 N ATOM 523 CA PRO A 63 56.418 12.919 15.932 1.00 35.72 C ATOM 524 C PRO A 63 55.103 12.155 15.902 1.00 39.35 C ATOM 525 O PRO A 63 54.440 12.024 16.930 1.00 43.35 O ATOM 526 CB PRO A 63 56.399 14.127 15.014 1.00 36.94 C ATOM 527 CG PRO A 63 57.841 14.315 14.633 1.00 35.51 C ATOM 528 CD PRO A 63 58.413 12.926 14.533 1.00 37.56 C ATOM 529 N HIS A 64 54.729 11.636 14.735 1.00 40.39 N ATOM 530 CA HIS A 64 53.469 10.902 14.610 1.00 41.43 C ATOM 531 C HIS A 64 53.457 9.473 15.160 1.00 40.27 C ATOM 532 O HIS A 64 52.419 8.818 15.159 1.00 42.39 O ATOM 533 CB HIS A 64 52.991 10.924 13.153 1.00 46.38 C ATOM 534 CG HIS A 64 52.442 12.256 12.726 1.00 55.02 C ATOM 535 ND1 HIS A 64 51.112 12.451 12.409 1.00 55.90 N ATOM 536 CD2 HIS A 64 53.040 13.467 12.593 1.00 56.18 C ATOM 537 CE1 HIS A 64 50.917 13.723 12.100 1.00 57.30 C ATOM 538 NE2 HIS A 64 52.070 14.361 12.204 1.00 54.82 N ATOM 539 N ASN A 65 54.605 8.984 15.621 1.00 40.17 N ATOM 540 CA ASN A 65 54.702 7.650 16.229 1.00 38.49 C ATOM 541 C ASN A 65 55.901 7.626 17.157 1.00 38.09 C ATOM 542 O ASN A 65 56.949 7.052 16.844 1.00 37.48 O ATOM 543 CB ASN A 65 54.854 6.542 15.198 1.00 36.60 C ATOM 544 CG ASN A 65 54.616 5.160 15.809 1.00 38.89 C ATOM 545 OD1 ASN A 65 54.292 4.202 15.111 1.00 43.10 O ATOM 546 ND2 ASN A 65 54.775 5.059 17.124 1.00 33.18 N ATOM 547 N ARG A 66 55.719 8.251 18.310 1.00 37.38 N ATOM 548 CA ARG A 66 56.766 8.382 19.297 1.00 36.15 C ATOM 549 C ARG A 66 57.451 7.097 19.731 1.00 34.59 C ATOM 550 O ARG A 66 58.480 7.157 20.401 1.00 36.86 O ATOM 551 CB ARG A 66 56.217 9.121 20.513 1.00 40.26 C ATOM 552 CG ARG A 66 55.897 10.595 20.247 1.00 42.56 C ATOM 553 CD ARG A 66 55.339 11.262 21.499 1.00 40.42 C ATOM 554 NE ARG A 66 56.256 11.106 22.621 1.00 34.65 N ATOM 555 CZ ARG A 66 57.497 11.582 22.631 1.00 33.89 C ATOM 556 NH1 ARG A 66 57.964 12.245 21.575 1.00 31.54 N ATOM 557 NH2 ARG A 66 58.273 11.381 23.689 1.00 28.29 N ATOM 558 N THR A 67 56.909 5.938 19.372 1.00 34.45 N ATOM 559 CA THR A 67 57.554 4.680 19.769 1.00 31.32 C ATOM 560 C THR A 67 58.766 4.415 18.883 1.00 30.93 C ATOM 561 O THR A 67 59.648 3.647 19.252 1.00 33.89 O ATOM 562 CB THR A 67 56.596 3.455 19.687 1.00 29.29 C ATOM 563 OG1 THR A 67 56.210 3.224 18.329 1.00 31.84 O ATOM 564 CG2 THR A 67 55.353 3.688 20.520 1.00 27.25 C ATOM 565 N LEU A 68 58.816 5.067 17.724 1.00 30.21 N ATOM 566 CA LEU A 68 59.926 4.899 16.794 1.00 29.77 C ATOM 567 C LEU A 68 60.985 5.960 17.055 1.00 30.07 C ATOM 568 O LEU A 68 60.680 7.147 17.091 1.00 30.90 O ATOM 569 CB LEU A 68 59.419 5.012 15.349 1.00 31.09 C ATOM 570 CG LEU A 68 58.998 3.752 14.567 1.00 31.78 C ATOM 571 CD1 LEU A 68 58.825 2.569 15.503 1.00 30.59 C ATOM 572 CD2 LEU A 68 57.695 4.020 13.810 1.00 26.45 C ATOM 573 N ASN A 69 62.231 5.542 17.243 1.00 33.35 N ATOM 574 CA ASN A 69 63.298 6.500 17.502 1.00 35.89 C ATOM 575 C ASN A 69 64.258 6.606 16.326 1.00 36.39 C ATOM 576 O ASN A 69 65.463 6.815 16.497 1.00 38.39 O ATOM 577 CB ASN A 69 64.066 6.116 18.780 1.00 42.03 C ATOM 578 CG ASN A 69 64.949 7.266 19.320 1.00 48.50 C ATOM 579 OD1 ASN A 69 64.657 8.451 19.114 1.00 50.09 O ATOM 580 ND2 ASN A 69 66.031 6.908 20.008 1.00 48.14 N ATOM 581 N ASN A 70 63.734 6.460 15.119 1.00 38.76 N ATOM 582 CA ASN A 70 64.589 6.560 13.942 1.00 40.67 C ATOM 583 C ASN A 70 64.055 7.600 12.976 1.00 38.57 C ATOM 584 O ASN A 70 63.948 7.355 11.777 1.00 38.06 O ATOM 585 CB ASN A 70 64.707 5.206 13.247 1.00 42.34 C ATOM 586 CG ASN A 70 63.571 4.313 13.587 1.00 46.84 C ATOM 587 OD1 ASN A 70 63.716 3.375 14.372 1.00 48.07 O ATOM 588 ND2 ASN A 70 62.406 4.609 13.019 1.00 47.27 N ATOM 589 N CYS A 71 63.715 8.765 13.517 1.00 37.29 N ATOM 590 CA CYS A 71 63.239 9.863 12.704 1.00 34.26 C ATOM 591 C CYS A 71 64.348 10.907 12.577 1.00 34.01 C ATOM 592 O CYS A 71 65.248 10.980 13.411 1.00 34.08 O ATOM 593 CB CYS A 71 61.981 10.460 13.314 1.00 32.83 C ATOM 594 SG CYS A 71 60.511 9.925 12.392 1.00 35.06 S ATOM 595 N HIS A 72 64.290 11.698 11.517 1.00 34.92 N ATOM 596 CA HIS A 72 65.302 12.708 11.274 1.00 35.67 C ATOM 597 C HIS A 72 64.693 13.962 10.655 1.00 36.74 C ATOM 598 O HIS A 72 64.075 13.895 9.600 1.00 37.44 O ATOM 599 CB HIS A 72 66.362 12.134 10.337 1.00 40.07 C ATOM 600 CG HIS A 72 66.974 10.859 10.830 1.00 43.74 C ATOM 601 ND1 HIS A 72 68.135 10.827 11.575 1.00 42.03 N ATOM 602 CD2 HIS A 72 66.574 9.571 10.707 1.00 44.50 C ATOM 603 CE1 HIS A 72 68.422 9.578 11.889 1.00 40.45 C ATOM 604 NE2 HIS A 72 67.491 8.795 11.375 1.00 42.14 N ATOM 605 N ARG A 73 64.860 15.097 11.328 1.00 37.38 N ATOM 606 CA ARG A 73 64.359 16.382 10.849 1.00 37.35 C ATOM 607 C ARG A 73 65.415 17.023 9.963 1.00 38.27 C ATOM 608 O ARG A 73 66.608 16.873 10.214 1.00 37.50 O ATOM 609 CB ARG A 73 64.091 17.321 12.025 1.00 39.13 C ATOM 610 CG ARG A 73 62.685 17.902 12.061 1.00 46.89 C ATOM 611 CD ARG A 73 62.693 19.350 12.478 1.00 49.11 C ATOM 612 NE ARG A 73 63.970 19.982 12.167 1.00 56.39 N ATOM 613 CZ ARG A 73 64.276 21.240 12.475 1.00 59.02 C ATOM 614 NH1 ARG A 73 63.384 21.997 13.106 1.00 59.85 N ATOM 615 NH2 ARG A 73 65.474 21.736 12.161 1.00 58.38 N ATOM 616 N SER A 74 64.986 17.719 8.915 1.00 39.14 N ATOM 617 CA SER A 74 65.927 18.407 8.037 1.00 38.88 C ATOM 618 C SER A 74 66.327 19.681 8.809 1.00 44.24 C ATOM 619 O SER A 74 65.572 20.158 9.671 1.00 44.29 O ATOM 620 CB SER A 74 65.233 18.784 6.741 1.00 34.27 C ATOM 621 OG SER A 74 64.068 19.539 7.029 1.00 28.44 O ATOM 622 N ARG A 75 67.501 20.235 8.534 1.00 45.73 N ATOM 623 CA ARG A 75 67.894 21.440 9.254 1.00 51.80 C ATOM 624 C ARG A 75 67.414 22.645 8.480 1.00 49.74 C ATOM 625 O ARG A 75 67.279 23.742 9.020 1.00 52.30 O ATOM 626 CB ARG A 75 69.406 21.511 9.408 1.00 58.86 C ATOM 627 CG ARG A 75 70.158 21.648 8.096 1.00 69.88 C ATOM 628 CD ARG A 75 71.622 21.283 8.297 1.00 80.21 C ATOM 629 NE ARG A 75 71.784 19.885 8.705 1.00 89.43 N ATOM 630 CZ ARG A 75 71.726 19.448 9.963 1.00 93.66 C ATOM 631 NH1 ARG A 75 71.509 20.301 10.963 1.00 94.50 N ATOM 632 NH2 ARG A 75 71.876 18.151 10.220 1.00 94.04 N ATOM 633 N PHE A 76 67.149 22.415 7.204 1.00 47.28 N ATOM 634 CA PHE A 76 66.692 23.449 6.302 1.00 45.01 C ATOM 635 C PHE A 76 65.210 23.318 5.982 1.00 40.61 C ATOM 636 O PHE A 76 64.688 22.208 5.931 1.00 40.53 O ATOM 637 CB PHE A 76 67.481 23.337 5.007 1.00 51.01 C ATOM 638 CG PHE A 76 68.740 24.136 4.997 1.00 59.55 C ATOM 639 CD1 PHE A 76 69.151 24.827 6.140 1.00 63.48 C ATOM 640 CD2 PHE A 76 69.493 24.243 3.830 1.00 61.68 C ATOM 641 CE1 PHE A 76 70.288 25.619 6.119 1.00 65.86 C ATOM 642 CE2 PHE A 76 70.631 25.030 3.789 1.00 64.84 C ATOM 643 CZ PHE A 76 71.033 25.725 4.937 1.00 68.95 C ATOM 644 N ARG A 77 64.527 24.442 5.784 1.00 34.66 N ATOM 645 CA ARG A 77 63.124 24.393 5.390 1.00 32.36 C ATOM 646 C ARG A 77 63.223 24.196 3.884 1.00 31.13 C ATOM 647 O ARG A 77 63.987 24.895 3.219 1.00 32.03 O ATOM 648 CB ARG A 77 62.415 25.697 5.701 1.00 33.20 C ATOM 649 CG ARG A 77 61.550 25.605 6.928 1.00 37.25 C ATOM 650 CD ARG A 77 61.003 26.953 7.300 1.00 42.43 C ATOM 651 NE ARG A 77 61.920 27.638 8.201 1.00 51.97 N ATOM 652 CZ ARG A 77 61.609 28.016 9.437 1.00 53.54 C ATOM 653 NH1 ARG A 77 60.390 27.771 9.918 1.00 57.19 N ATOM 654 NH2 ARG A 77 62.514 28.631 10.193 1.00 49.69 N ATOM 655 N VAL A 78 62.469 23.247 3.343 1.00 28.14 N ATOM 656 CA VAL A 78 62.552 22.950 1.918 1.00 29.57 C ATOM 657 C VAL A 78 61.282 23.301 1.134 1.00 27.27 C ATOM 658 O VAL A 78 60.173 23.165 1.638 1.00 30.56 O ATOM 659 CB VAL A 78 62.892 21.443 1.718 1.00 30.91 C ATOM 660 CG1 VAL A 78 61.746 20.591 2.200 1.00 34.79 C ATOM 661 CG2 VAL A 78 63.168 21.138 0.272 1.00 33.32 C ATOM 662 N PRO A 79 61.433 23.824 -0.091 1.00 24.71 N ATOM 663 CA PRO A 79 60.184 24.125 -0.789 1.00 20.95 C ATOM 664 C PRO A 79 59.450 22.815 -1.012 1.00 23.77 C ATOM 665 O PRO A 79 60.077 21.754 -1.120 1.00 23.12 O ATOM 666 CB PRO A 79 60.638 24.754 -2.112 1.00 18.40 C ATOM 667 CG PRO A 79 62.092 24.434 -2.241 1.00 19.19 C ATOM 668 CD PRO A 79 62.627 24.228 -0.859 1.00 20.99 C ATOM 669 N LEU A 80 58.126 22.870 -1.072 1.00 22.33 N ATOM 670 CA LEU A 80 57.371 21.656 -1.312 1.00 23.34 C ATOM 671 C LEU A 80 56.064 21.919 -2.024 1.00 23.73 C ATOM 672 O LEU A 80 55.607 23.060 -2.113 1.00 26.05 O ATOM 673 CB LEU A 80 57.113 20.903 -0.004 1.00 24.15 C ATOM 674 CG LEU A 80 56.705 21.659 1.249 1.00 23.45 C ATOM 675 CD1 LEU A 80 55.210 21.690 1.330 1.00 28.15 C ATOM 676 CD2 LEU A 80 57.264 20.969 2.450 1.00 23.35 C ATOM 677 N LEU A 81 55.475 20.850 -2.548 1.00 22.58 N ATOM 678 CA LEU A 81 54.213 20.935 -3.264 1.00 20.98 C ATOM 679 C LEU A 81 53.178 19.974 -2.685 1.00 20.41 C ATOM 680 O LEU A 81 53.393 18.760 -2.644 1.00 23.12 O ATOM 681 CB LEU A 81 54.433 20.610 -4.738 1.00 20.12 C ATOM 682 CG LEU A 81 53.142 20.468 -5.523 1.00 20.63 C ATOM 683 CD1 LEU A 81 52.582 21.854 -5.699 1.00 20.91 C ATOM 684 CD2 LEU A 81 53.383 19.805 -6.870 1.00 22.40 C ATOM 685 N HIS A 82 52.060 20.527 -2.230 1.00 21.64 N ATOM 686 CA HIS A 82 50.957 19.737 -1.688 1.00 20.53 C ATOM 687 C HIS A 82 49.908 19.480 -2.775 1.00 20.14 C ATOM 688 O HIS A 82 49.564 20.374 -3.556 1.00 20.29 O ATOM 689 CB HIS A 82 50.274 20.473 -0.540 1.00 20.01 C ATOM 690 CG HIS A 82 51.173 20.761 0.616 1.00 18.79 C ATOM 691 ND1 HIS A 82 51.482 19.818 1.568 1.00 22.09 N ATOM 692 CD2 HIS A 82 51.761 21.910 1.021 1.00 22.50 C ATOM 693 CE1 HIS A 82 52.217 20.372 2.515 1.00 20.46 C ATOM 694 NE2 HIS A 82 52.400 21.642 2.208 1.00 21.20 N ATOM 695 N CYS A 83 49.409 18.251 -2.823 1.00 22.25 N ATOM 696 CA CYS A 83 48.387 17.859 -3.791 1.00 23.54 C ATOM 697 C CYS A 83 47.165 17.527 -2.962 1.00 23.03 C ATOM 698 O CYS A 83 47.181 16.584 -2.176 1.00 23.64 O ATOM 699 CB CYS A 83 48.838 16.631 -4.583 1.00 24.24 C ATOM 700 SG CYS A 83 50.290 16.948 -5.624 1.00 26.64 S ATOM 701 N ASP A 84 46.113 18.315 -3.131 1.00 21.91 N ATOM 702 CA ASP A 84 44.907 18.131 -2.358 1.00 22.41 C ATOM 703 C ASP A 84 43.827 17.592 -3.256 1.00 24.70 C ATOM 704 O ASP A 84 43.576 18.158 -4.319 1.00 24.89 O ATOM 705 CB ASP A 84 44.480 19.470 -1.762 1.00 25.16 C ATOM 706 CG ASP A 84 45.584 20.113 -0.901 1.00 27.29 C ATOM 707 OD1 ASP A 84 46.135 19.404 -0.034 1.00 24.37 O ATOM 708 OD2 ASP A 84 45.894 21.317 -1.089 1.00 26.09 O ATOM 709 N LEU A 85 43.213 16.485 -2.834 1.00 25.41 N ATOM 710 CA LEU A 85 42.129 15.849 -3.584 1.00 26.86 C ATOM 711 C LEU A 85 40.897 16.765 -3.539 1.00 29.04 C ATOM 712 O LEU A 85 40.471 17.210 -2.467 1.00 27.02 O ATOM 713 CB LEU A 85 41.790 14.467 -2.978 1.00 22.95 C ATOM 714 CG LEU A 85 40.749 13.580 -3.685 1.00 23.29 C ATOM 715 CD1 LEU A 85 41.226 13.202 -5.077 1.00 23.38 C ATOM 716 CD2 LEU A 85 40.518 12.328 -2.876 1.00 22.80 C ATOM 717 N ILE A 86 40.336 17.045 -4.709 1.00 34.10 N ATOM 718 CA ILE A 86 39.169 17.908 -4.816 1.00 40.90 C ATOM 719 C ILE A 86 37.843 17.165 -4.601 1.00 47.43 C ATOM 720 O ILE A 86 36.969 17.627 -3.856 1.00 49.61 O ATOM 721 CB ILE A 86 39.123 18.580 -6.191 1.00 37.17 C ATOM 722 CG1 ILE A 86 40.340 19.466 -6.375 1.00 29.93 C ATOM 723 CG2 ILE A 86 37.851 19.382 -6.337 1.00 36.53 C ATOM 724 CD1 ILE A 86 40.640 19.710 -7.818 1.00 35.67 C ATOM 725 N ASN A 87 37.703 16.018 -5.256 1.00 54.42 N ATOM 726 CA ASN A 87 36.482 15.210 -5.172 1.00 65.14 C ATOM 727 C ASN A 87 36.628 14.086 -4.146 1.00 68.62 C ATOM 728 O ASN A 87 36.864 12.931 -4.513 1.00 69.65 O ATOM 729 CB ASN A 87 36.198 14.609 -6.549 1.00 69.26 C ATOM 730 CG ASN A 87 37.477 14.178 -7.278 1.00 71.73 C ATOM 731 OD1 ASN A 87 38.239 15.013 -7.772 1.00 70.00 O ATOM 732 ND2 ASN A 87 37.713 12.868 -7.339 1.00 73.79 N ATOM 733 N PRO A 88 36.452 14.398 -2.852 1.00 72.17 N ATOM 734 CA PRO A 88 36.592 13.365 -1.822 1.00 75.76 C ATOM 735 C PRO A 88 35.342 12.511 -1.682 1.00 79.67 C ATOM 736 O PRO A 88 34.218 13.022 -1.756 1.00 81.65 O ATOM 737 CB PRO A 88 36.887 14.163 -0.556 1.00 72.99 C ATOM 738 CG PRO A 88 36.124 15.430 -0.767 1.00 76.48 C ATOM 739 CD PRO A 88 36.062 15.692 -2.266 1.00 74.22 C ATOM 740 N GLY A 89 35.547 11.212 -1.483 1.00 81.68 N ATOM 741 CA GLY A 89 34.434 10.292 -1.333 1.00 83.93 C ATOM 742 C GLY A 89 33.354 10.539 -2.367 1.00 85.35 C ATOM 743 O GLY A 89 32.183 10.227 -2.138 1.00 86.14 O ATOM 744 N ALA A 90 33.751 11.098 -3.509 1.00 85.68 N ATOM 745 CA ALA A 90 32.812 11.397 -4.581 1.00 86.21 C ATOM 746 C ALA A 90 33.266 10.851 -5.931 1.00 87.04 C ATOM 747 O ALA A 90 33.158 9.650 -6.192 1.00 87.86 O ATOM 748 CB ALA A 90 32.589 12.910 -4.673 1.00 86.61 C ATOM 749 N GLN A 91 33.781 11.742 -6.778 1.00 88.54 N ATOM 750 CA GLN A 91 34.235 11.391 -8.125 1.00 90.02 C ATOM 751 C GLN A 91 35.070 10.112 -8.265 1.00 90.69 C ATOM 752 O GLN A 91 36.076 9.901 -7.557 1.00 89.77 O ATOM 753 CB GLN A 91 34.994 12.572 -8.748 1.00 90.67 C ATOM 754 CG GLN A 91 34.448 13.024 -10.105 1.00 89.26 C ATOM 755 CD GLN A 91 34.205 14.525 -10.182 1.00 88.41 C ATOM 756 OE1 GLN A 91 33.596 15.014 -11.136 1.00 87.62 O ATOM 757 NE2 GLN A 91 34.680 15.264 -9.178 1.00 86.98 N ATOM 758 N ASN A 92 34.625 9.279 -9.208 1.00 88.93 N ATOM 759 CA ASN A 92 35.251 8.002 -9.526 1.00 85.68 C ATOM 760 C ASN A 92 36.744 7.992 -9.265 1.00 83.21 C ATOM 761 O ASN A 92 37.494 8.856 -9.735 1.00 81.23 O ATOM 762 CB ASN A 92 34.989 7.632 -10.988 1.00 85.92 C ATOM 763 CG ASN A 92 34.560 6.190 -11.149 1.00 86.73 C ATOM 764 OD1 ASN A 92 33.410 5.844 -10.878 1.00 88.00 O ATOM 765 ND2 ASN A 92 35.484 5.336 -11.585 1.00 86.69 N ATOM 766 N ILE A 93 37.164 6.986 -8.513 1.00 80.18 N ATOM 767 CA ILE A 93 38.554 6.831 -8.160 1.00 77.79 C ATOM 768 C ILE A 93 39.382 6.348 -9.371 1.00 76.20 C ATOM 769 O ILE A 93 40.317 5.551 -9.266 1.00 73.25 O ATOM 770 CB ILE A 93 38.635 5.925 -6.894 1.00 77.37 C ATOM 771 CG1 ILE A 93 38.959 6.808 -5.670 1.00 73.17 C ATOM 772 CG2 ILE A 93 39.610 4.764 -7.091 1.00 78.51 C ATOM 773 CD1 ILE A 93 38.055 8.031 -5.490 1.00 65.08 C ATOM 774 N SER A 94 39.026 6.892 -10.532 1.00 76.58 N ATOM 775 CA SER A 94 39.699 6.597 -11.793 1.00 78.14 C ATOM 776 C SER A 94 40.110 7.930 -12.438 1.00 78.16 C ATOM 777 O SER A 94 41.191 8.047 -13.030 1.00 80.17 O ATOM 778 CB SER A 94 38.760 5.833 -12.732 1.00 79.48 C ATOM 779 OG SER A 94 37.527 6.523 -12.891 1.00 81.15 O ATOM 780 N ASN A 95 39.235 8.930 -12.315 1.00 73.21 N ATOM 781 CA ASN A 95 39.490 10.261 -12.860 1.00 68.84 C ATOM 782 C ASN A 95 39.587 11.241 -11.692 1.00 63.97 C ATOM 783 O ASN A 95 38.749 12.134 -11.560 1.00 64.24 O ATOM 784 CB ASN A 95 38.348 10.696 -13.787 1.00 72.04 C ATOM 785 CG ASN A 95 38.015 9.655 -14.849 1.00 75.69 C ATOM 786 OD1 ASN A 95 37.110 8.828 -14.670 1.00 76.91 O ATOM 787 ND2 ASN A 95 38.741 9.696 -15.967 1.00 75.26 N ATOM 788 N CYS A 96 40.606 11.067 -10.847 1.00 55.44 N ATOM 789 CA CYS A 96 40.810 11.926 -9.678 1.00 45.63 C ATOM 790 C CYS A 96 41.534 13.203 -9.974 1.00 41.67 C ATOM 791 O CYS A 96 42.582 13.186 -10.610 1.00 39.98 O ATOM 792 CB CYS A 96 41.592 11.197 -8.626 1.00 40.11 C ATOM 793 SG CYS A 96 40.561 9.945 -7.865 1.00 42.59 S ATOM 794 N ARG A 97 40.987 14.307 -9.478 1.00 38.24 N ATOM 795 CA ARG A 97 41.577 15.616 -9.715 1.00 37.97 C ATOM 796 C ARG A 97 42.208 16.211 -8.451 1.00 32.05 C ATOM 797 O ARG A 97 41.711 16.010 -7.339 1.00 28.90 O ATOM 798 CB ARG A 97 40.507 16.551 -10.289 1.00 45.78 C ATOM 799 CG ARG A 97 40.078 16.222 -11.714 1.00 47.68 C ATOM 800 CD ARG A 97 40.115 17.474 -12.565 1.00 60.59 C ATOM 801 NE ARG A 97 40.942 17.313 -13.764 1.00 72.65 N ATOM 802 CZ ARG A 97 42.165 17.826 -13.921 1.00 77.35 C ATOM 803 NH1 ARG A 97 42.727 18.547 -12.944 1.00 73.95 N ATOM 804 NH2 ARG A 97 42.826 17.625 -15.065 1.00 75.30 N ATOM 805 N TYR A 98 43.302 16.945 -8.635 1.00 26.68 N ATOM 806 CA TYR A 98 44.020 17.544 -7.515 1.00 27.24 C ATOM 807 C TYR A 98 44.304 19.017 -7.672 1.00 26.67 C ATOM 808 O TYR A 98 44.532 19.495 -8.785 1.00 29.20 O ATOM 809 CB TYR A 98 45.363 16.846 -7.325 1.00 22.79 C ATOM 810 CG TYR A 98 45.230 15.467 -6.765 1.00 18.84 C ATOM 811 CD1 TYR A 98 44.940 14.386 -7.589 1.00 15.55 C ATOM 812 CD2 TYR A 98 45.362 15.246 -5.402 1.00 19.11 C ATOM 813 CE1 TYR A 98 44.779 13.110 -7.062 1.00 14.30 C ATOM 814 CE2 TYR A 98 45.209 13.983 -4.863 1.00 19.72 C ATOM 815 CZ TYR A 98 44.914 12.916 -5.696 1.00 21.15 C ATOM 816 OH TYR A 98 44.739 11.667 -5.141 1.00 20.00 O ATOM 817 N ALA A 99 44.312 19.721 -6.541 1.00 26.52 N ATOM 818 CA ALA A 99 44.634 21.152 -6.494 1.00 23.62 C ATOM 819 C ALA A 99 46.107 21.222 -6.064 1.00 24.95 C ATOM 820 O ALA A 99 46.541 20.473 -5.187 1.00 25.12 O ATOM 821 CB ALA A 99 43.750 21.870 -5.474 1.00 15.89 C ATOM 822 N ASP A 100 46.881 22.102 -6.691 1.00 27.24 N ATOM 823 CA ASP A 100 48.294 22.243 -6.366 1.00 25.58 C ATOM 824 C ASP A 100 48.466 23.335 -5.329 1.00 27.16 C ATOM 825 O ASP A 100 47.848 24.391 -5.428 1.00 33.10 O ATOM 826 CB ASP A 100 49.067 22.559 -7.635 1.00 25.35 C ATOM 827 CG ASP A 100 48.900 21.486 -8.673 1.00 26.92 C ATOM 828 OD1 ASP A 100 47.783 21.340 -9.207 1.00 36.63 O ATOM 829 OD2 ASP A 100 49.874 20.766 -8.950 1.00 32.70 O ATOM 830 N ARG A 101 49.312 23.098 -4.337 1.00 23.98 N ATOM 831 CA ARG A 101 49.469 24.077 -3.276 1.00 22.91 C ATOM 832 C ARG A 101 50.913 24.190 -2.818 1.00 25.40 C ATOM 833 O ARG A 101 51.419 23.294 -2.155 1.00 27.69 O ATOM 834 CB ARG A 101 48.579 23.634 -2.119 1.00 23.35 C ATOM 835 CG ARG A 101 48.448 24.559 -0.936 1.00 20.52 C ATOM 836 CD ARG A 101 47.366 23.992 -0.024 1.00 14.84 C ATOM 837 NE ARG A 101 47.903 23.743 1.299 1.00 25.42 N ATOM 838 CZ ARG A 101 48.037 22.545 1.852 1.00 22.51 C ATOM 839 NH1 ARG A 101 47.666 21.459 1.192 1.00 28.78 N ATOM 840 NH2 ARG A 101 48.554 22.438 3.072 1.00 29.93 N ATOM 841 N PRO A 102 51.592 25.305 -3.135 1.00 26.35 N ATOM 842 CA PRO A 102 52.991 25.432 -2.700 1.00 25.76 C ATOM 843 C PRO A 102 53.131 25.524 -1.183 1.00 25.87 C ATOM 844 O PRO A 102 52.172 25.826 -0.455 1.00 29.89 O ATOM 845 CB PRO A 102 53.495 26.707 -3.392 1.00 23.87 C ATOM 846 CG PRO A 102 52.419 27.100 -4.352 1.00 28.16 C ATOM 847 CD PRO A 102 51.133 26.502 -3.854 1.00 28.28 C ATOM 848 N GLY A 103 54.335 25.255 -0.704 1.00 23.63 N ATOM 849 CA GLY A 103 54.568 25.324 0.716 1.00 19.36 C ATOM 850 C GLY A 103 56.042 25.275 0.954 1.00 19.47 C ATOM 851 O GLY A 103 56.796 25.029 0.028 1.00 19.18 O ATOM 852 N ARG A 104 56.458 25.533 2.186 1.00 23.20 N ATOM 853 CA ARG A 104 57.869 25.496 2.516 1.00 27.33 C ATOM 854 C ARG A 104 58.106 25.215 3.992 1.00 29.10 C ATOM 855 O ARG A 104 57.859 26.076 4.839 1.00 29.83 O ATOM 856 CB ARG A 104 58.571 26.805 2.141 1.00 24.16 C ATOM 857 CG ARG A 104 59.958 26.875 2.758 1.00 33.65 C ATOM 858 CD ARG A 104 60.859 27.912 2.132 1.00 40.65 C ATOM 859 NE ARG A 104 61.499 28.701 3.180 1.00 49.48 N ATOM 860 CZ ARG A 104 62.807 28.907 3.271 1.00 53.02 C ATOM 861 NH1 ARG A 104 63.632 28.380 2.369 1.00 50.67 N ATOM 862 NH2 ARG A 104 63.284 29.635 4.272 1.00 53.14 N ATOM 863 N ARG A 105 58.587 24.008 4.297 1.00 29.17 N ATOM 864 CA ARG A 105 58.875 23.669 5.674 1.00 31.47 C ATOM 865 C ARG A 105 59.918 22.602 5.881 1.00 31.97 C ATOM 866 O ARG A 105 60.471 22.051 4.926 1.00 34.30 O ATOM 867 CB ARG A 105 57.613 23.252 6.416 1.00 35.98 C ATOM 868 CG ARG A 105 56.528 22.649 5.598 1.00 39.07 C ATOM 869 CD ARG A 105 55.233 22.767 6.378 1.00 46.84 C ATOM 870 NE ARG A 105 55.082 24.114 6.930 1.00 59.52 N ATOM 871 CZ ARG A 105 53.928 24.637 7.346 1.00 66.12 C ATOM 872 NH1 ARG A 105 52.810 23.921 7.279 1.00 70.75 N ATOM 873 NH2 ARG A 105 53.882 25.885 7.809 1.00 65.30 N ATOM 874 N PHE A 106 60.193 22.347 7.158 1.00 28.98 N ATOM 875 CA PHE A 106 61.131 21.323 7.570 1.00 28.51 C ATOM 876 C PHE A 106 60.367 20.026 7.394 1.00 30.14 C ATOM 877 O PHE A 106 59.143 19.990 7.581 1.00 27.26 O ATOM 878 CB PHE A 106 61.447 21.435 9.053 1.00 30.98 C ATOM 879 CG PHE A 106 62.151 22.692 9.446 1.00 32.06 C ATOM 880 CD1 PHE A 106 63.523 22.830 9.244 1.00 33.15 C ATOM 881 CD2 PHE A 106 61.465 23.702 10.098 1.00 32.85 C ATOM 882 CE1 PHE A 106 64.205 23.953 9.692 1.00 30.22 C ATOM 883 CE2 PHE A 106 62.134 24.828 10.551 1.00 33.75 C ATOM 884 CZ PHE A 106 63.511 24.953 10.348 1.00 33.59 C ATOM 885 N TYR A 107 61.065 18.956 7.039 1.00 29.79 N ATOM 886 CA TYR A 107 60.381 17.683 6.920 1.00 28.31 C ATOM 887 C TYR A 107 61.044 16.714 7.872 1.00 27.57 C ATOM 888 O TYR A 107 62.208 16.876 8.224 1.00 25.09 O ATOM 889 CB TYR A 107 60.428 17.145 5.488 1.00 25.79 C ATOM 890 CG TYR A 107 61.809 16.894 4.941 1.00 29.39 C ATOM 891 CD1 TYR A 107 62.465 15.673 5.172 1.00 33.14 C ATOM 892 CD2 TYR A 107 62.446 17.847 4.138 1.00 25.38 C ATOM 893 CE1 TYR A 107 63.726 15.404 4.611 1.00 30.75 C ATOM 894 CE2 TYR A 107 63.696 17.594 3.573 1.00 28.66 C ATOM 895 CZ TYR A 107 64.330 16.370 3.813 1.00 34.06 C ATOM 896 OH TYR A 107 65.561 16.116 3.250 1.00 40.88 O ATOM 897 N VAL A 108 60.280 15.726 8.311 1.00 28.35 N ATOM 898 CA VAL A 108 60.780 14.700 9.206 1.00 26.12 C ATOM 899 C VAL A 108 60.556 13.384 8.478 1.00 23.80 C ATOM 900 O VAL A 108 59.430 13.082 8.090 1.00 26.08 O ATOM 901 CB VAL A 108 59.998 14.693 10.531 1.00 28.92 C ATOM 902 CG1 VAL A 108 60.605 13.681 11.494 1.00 34.77 C ATOM 903 CG2 VAL A 108 60.018 16.086 11.149 1.00 28.94 C ATOM 904 N VAL A 109 61.628 12.633 8.243 1.00 21.27 N ATOM 905 CA VAL A 109 61.520 11.334 7.576 1.00 20.37 C ATOM 906 C VAL A 109 62.010 10.252 8.538 1.00 22.31 C ATOM 907 O VAL A 109 62.777 10.534 9.456 1.00 22.07 O ATOM 908 CB VAL A 109 62.385 11.246 6.273 1.00 20.25 C ATOM 909 CG1 VAL A 109 61.770 12.090 5.169 1.00 13.73 C ATOM 910 CG2 VAL A 109 63.830 11.676 6.554 1.00 18.91 C ATOM 911 N ALA A 110 61.547 9.022 8.347 1.00 22.77 N ATOM 912 CA ALA A 110 61.990 7.903 9.177 1.00 18.67 C ATOM 913 C ALA A 110 62.966 7.149 8.288 1.00 20.36 C ATOM 914 O ALA A 110 62.674 6.909 7.122 1.00 21.38 O ATOM 915 CB ALA A 110 60.817 7.011 9.541 1.00 14.88 C ATOM 916 N CYS A 111 64.129 6.791 8.810 1.00 22.67 N ATOM 917 CA CYS A 111 65.098 6.079 7.987 1.00 27.18 C ATOM 918 C CYS A 111 65.375 4.691 8.521 1.00 26.81 C ATOM 919 O CYS A 111 65.239 4.435 9.718 1.00 26.94 O ATOM 920 CB CYS A 111 66.396 6.883 7.883 1.00 28.38 C ATOM 921 SG CYS A 111 66.120 8.623 7.380 1.00 35.15 S ATOM 922 N ASP A 112 65.761 3.799 7.619 1.00 26.71 N ATOM 923 CA ASP A 112 66.046 2.424 7.985 1.00 30.04 C ATOM 924 C ASP A 112 67.093 1.867 7.049 1.00 32.62 C ATOM 925 O ASP A 112 67.433 2.503 6.051 1.00 34.28 O ATOM 926 CB ASP A 112 64.775 1.587 7.867 1.00 33.05 C ATOM 927 CG ASP A 112 64.770 0.381 8.790 1.00 34.70 C ATOM 928 OD1 ASP A 112 65.702 0.223 9.628 1.00 34.42 O ATOM 929 OD2 ASP A 112 63.807 -0.409 8.671 1.00 36.73 O ATOM 930 N ASN A 113 67.591 0.673 7.367 1.00 34.26 N ATOM 931 CA ASN A 113 68.604 0.006 6.554 1.00 35.13 C ATOM 932 C ASN A 113 68.025 -0.285 5.190 1.00 35.86 C ATOM 933 O ASN A 113 66.855 -0.631 5.089 1.00 38.68 O ATOM 934 CB ASN A 113 69.010 -1.307 7.212 1.00 39.33 C ATOM 935 CG ASN A 113 69.678 -1.102 8.551 1.00 40.22 C ATOM 936 OD1 ASN A 113 70.760 -0.507 8.636 1.00 40.80 O ATOM 937 ND2 ASN A 113 69.040 -1.594 9.609 1.00 42.04 N ATOM 938 N ARG A 114 68.828 -0.157 4.139 1.00 36.99 N ATOM 939 CA ARG A 114 68.334 -0.418 2.789 1.00 39.78 C ATOM 940 C ARG A 114 67.815 -1.845 2.658 1.00 40.28 C ATOM 941 O ARG A 114 68.086 -2.696 3.498 1.00 40.25 O ATOM 942 CB ARG A 114 69.439 -0.190 1.748 1.00 44.05 C ATOM 943 CG ARG A 114 70.864 -0.474 2.248 1.00 50.83 C ATOM 944 CD ARG A 114 71.874 -0.739 1.103 1.00 52.56 C ATOM 945 NE ARG A 114 71.954 -2.157 0.746 1.00 52.35 N ATOM 946 CZ ARG A 114 71.673 -2.633 -0.464 1.00 52.71 C ATOM 947 NH1 ARG A 114 71.300 -1.798 -1.423 1.00 55.36 N ATOM 948 NH2 ARG A 114 71.725 -3.937 -0.711 1.00 50.52 N ATOM 949 N ASP A 115 67.034 -2.085 1.614 1.00 41.84 N ATOM 950 CA ASP A 115 66.505 -3.408 1.331 1.00 44.74 C ATOM 951 C ASP A 115 67.583 -3.957 0.395 1.00 47.07 C ATOM 952 O ASP A 115 68.250 -3.193 -0.312 1.00 46.08 O ATOM 953 CB ASP A 115 65.141 -3.296 0.615 1.00 46.35 C ATOM 954 CG ASP A 115 64.721 -4.584 -0.103 1.00 50.64 C ATOM 955 OD1 ASP A 115 65.479 -5.089 -0.956 1.00 53.76 O ATOM 956 OD2 ASP A 115 63.615 -5.094 0.169 1.00 54.05 O ATOM 957 N PRO A 116 67.783 -5.279 0.390 1.00 48.52 N ATOM 958 CA PRO A 116 68.790 -5.926 -0.465 1.00 47.89 C ATOM 959 C PRO A 116 68.788 -5.441 -1.925 1.00 48.31 C ATOM 960 O PRO A 116 69.853 -5.292 -2.538 1.00 47.79 O ATOM 961 CB PRO A 116 68.437 -7.411 -0.365 1.00 48.83 C ATOM 962 CG PRO A 116 67.040 -7.455 0.302 1.00 48.77 C ATOM 963 CD PRO A 116 67.030 -6.261 1.189 1.00 47.80 C ATOM 964 N ARG A 117 67.591 -5.197 -2.467 1.00 47.69 N ATOM 965 CA ARG A 117 67.418 -4.749 -3.854 1.00 48.28 C ATOM 966 C ARG A 117 67.619 -3.252 -4.101 1.00 48.75 C ATOM 967 O ARG A 117 67.544 -2.789 -5.243 1.00 46.90 O ATOM 968 CB ARG A 117 66.037 -5.153 -4.367 1.00 48.46 C ATOM 969 CG ARG A 117 65.450 -6.348 -3.648 1.00 54.66 C ATOM 970 CD ARG A 117 64.068 -6.706 -4.173 1.00 57.27 C ATOM 971 NE ARG A 117 63.014 -6.046 -3.409 1.00 58.09 N ATOM 972 CZ ARG A 117 61.788 -5.838 -3.873 1.00 59.36 C ATOM 973 NH1 ARG A 117 61.468 -6.248 -5.095 1.00 60.37 N ATOM 974 NH2 ARG A 117 60.881 -5.228 -3.116 1.00 60.82 N ATOM 975 N ASP A 118 67.866 -2.496 -3.036 1.00 48.30 N ATOM 976 CA ASP A 118 68.097 -1.060 -3.165 1.00 49.63 C ATOM 977 C ASP A 118 69.536 -0.882 -3.626 1.00 51.21 C ATOM 978 O ASP A 118 70.320 -1.822 -3.585 1.00 53.36 O ATOM 979 CB ASP A 118 67.906 -0.355 -1.810 1.00 45.81 C ATOM 980 CG ASP A 118 66.452 0.005 -1.533 1.00 43.69 C ATOM 981 OD1 ASP A 118 65.758 0.465 -2.466 1.00 41.13 O ATOM 982 OD2 ASP A 118 66.005 -0.176 -0.380 1.00 35.77 O ATOM 983 N SER A 119 69.888 0.315 -4.075 1.00 55.19 N ATOM 984 CA SER A 119 71.261 0.562 -4.492 1.00 55.17 C ATOM 985 C SER A 119 72.125 0.464 -3.238 1.00 54.22 C ATOM 986 O SER A 119 71.825 1.067 -2.202 1.00 53.85 O ATOM 987 CB SER A 119 71.406 1.950 -5.127 1.00 56.70 C ATOM 988 OG SER A 119 72.769 2.331 -5.215 1.00 60.20 O ATOM 989 N PRO A 120 73.214 -0.306 -3.318 1.00 54.82 N ATOM 990 CA PRO A 120 74.124 -0.487 -2.184 1.00 54.18 C ATOM 991 C PRO A 120 74.832 0.808 -1.857 1.00 55.12 C ATOM 992 O PRO A 120 75.484 0.917 -0.820 1.00 54.30 O ATOM 993 CB PRO A 120 75.096 -1.548 -2.672 1.00 54.74 C ATOM 994 CG PRO A 120 75.064 -1.411 -4.167 1.00 55.82 C ATOM 995 CD PRO A 120 73.665 -1.034 -4.517 1.00 53.82 C ATOM 996 N ARG A 121 74.697 1.782 -2.753 1.00 55.26 N ATOM 997 CA ARG A 121 75.323 3.083 -2.578 1.00 55.38 C ATOM 998 C ARG A 121 74.933 3.731 -1.258 1.00 55.92 C ATOM 999 O ARG A 121 75.715 4.500 -0.704 1.00 55.43 O ATOM 1000 CB ARG A 121 74.950 4.007 -3.733 1.00 56.89 C ATOM 1001 CG ARG A 121 75.975 5.100 -4.001 1.00 65.68 C ATOM 1002 CD ARG A 121 75.583 5.976 -5.203 1.00 73.02 C ATOM 1003 NE ARG A 121 74.929 5.209 -6.269 1.00 78.31 N ATOM 1004 CZ ARG A 121 74.256 5.749 -7.286 1.00 77.85 C ATOM 1005 NH1 ARG A 121 74.144 7.068 -7.382 1.00 78.28 N ATOM 1006 NH2 ARG A 121 73.692 4.969 -8.205 1.00 75.87 N ATOM 1007 N TYR A 122 73.728 3.427 -0.759 1.00 56.07 N ATOM 1008 CA TYR A 122 73.242 3.989 0.511 1.00 53.45 C ATOM 1009 C TYR A 122 72.755 2.944 1.512 1.00 51.52 C ATOM 1010 O TYR A 122 71.696 2.334 1.335 1.00 50.80 O ATOM 1011 CB TYR A 122 72.100 4.970 0.273 1.00 54.95 C ATOM 1012 CG TYR A 122 72.327 5.939 -0.852 1.00 55.99 C ATOM 1013 CD1 TYR A 122 73.155 7.053 -0.683 1.00 56.40 C ATOM 1014 CD2 TYR A 122 71.666 5.784 -2.068 1.00 55.96 C ATOM 1015 CE1 TYR A 122 73.311 7.997 -1.698 1.00 57.02 C ATOM 1016 CE2 TYR A 122 71.813 6.718 -3.090 1.00 58.45 C ATOM 1017 CZ TYR A 122 72.633 7.826 -2.897 1.00 59.76 C ATOM 1018 OH TYR A 122 72.743 8.774 -3.892 1.00 62.68 O ATOM 1019 N PRO A 123 73.518 2.745 2.593 1.00 49.19 N ATOM 1020 CA PRO A 123 73.184 1.775 3.642 1.00 47.72 C ATOM 1021 C PRO A 123 71.901 2.144 4.375 1.00 47.59 C ATOM 1022 O PRO A 123 71.109 1.272 4.728 1.00 49.58 O ATOM 1023 CB PRO A 123 74.397 1.808 4.569 1.00 48.93 C ATOM 1024 CG PRO A 123 75.050 3.140 4.307 1.00 48.14 C ATOM 1025 CD PRO A 123 74.775 3.466 2.869 1.00 47.29 C ATOM 1026 N VAL A 124 71.714 3.438 4.621 1.00 46.11 N ATOM 1027 CA VAL A 124 70.514 3.924 5.292 1.00 42.98 C ATOM 1028 C VAL A 124 69.704 4.791 4.329 1.00 41.59 C ATOM 1029 O VAL A 124 70.186 5.803 3.827 1.00 40.59 O ATOM 1030 CB VAL A 124 70.856 4.740 6.544 1.00 42.17 C ATOM 1031 CG1 VAL A 124 69.593 5.326 7.139 1.00 41.09 C ATOM 1032 CG2 VAL A 124 71.531 3.852 7.563 1.00 42.27 C ATOM 1033 N VAL A 125 68.467 4.372 4.080 1.00 40.12 N ATOM 1034 CA VAL A 125 67.571 5.059 3.159 1.00 34.26 C ATOM 1035 C VAL A 125 66.321 5.588 3.854 1.00 31.95 C ATOM 1036 O VAL A 125 65.925 5.084 4.916 1.00 30.05 O ATOM 1037 CB VAL A 125 67.104 4.094 2.039 1.00 35.33 C ATOM 1038 CG1 VAL A 125 68.239 3.807 1.088 1.00 32.12 C ATOM 1039 CG2 VAL A 125 66.603 2.790 2.654 1.00 30.88 C ATOM 1040 N PRO A 126 65.708 6.647 3.285 1.00 30.01 N ATOM 1041 CA PRO A 126 64.481 7.219 3.865 1.00 28.44 C ATOM 1042 C PRO A 126 63.336 6.273 3.495 1.00 25.99 C ATOM 1043 O PRO A 126 63.186 5.909 2.332 1.00 25.61 O ATOM 1044 CB PRO A 126 64.344 8.576 3.172 1.00 25.98 C ATOM 1045 CG PRO A 126 65.025 8.393 1.855 1.00 23.48 C ATOM 1046 CD PRO A 126 66.158 7.401 2.098 1.00 27.23 C ATOM 1047 N VAL A 127 62.538 5.855 4.472 1.00 25.22 N ATOM 1048 CA VAL A 127 61.439 4.945 4.172 1.00 24.47 C ATOM 1049 C VAL A 127 60.038 5.492 4.424 1.00 24.46 C ATOM 1050 O VAL A 127 59.068 4.899 3.976 1.00 24.84 O ATOM 1051 CB VAL A 127 61.577 3.614 4.951 1.00 24.88 C ATOM 1052 CG1 VAL A 127 62.812 2.881 4.477 1.00 23.71 C ATOM 1053 CG2 VAL A 127 61.643 3.879 6.456 1.00 21.02 C ATOM 1054 N HIS A 128 59.925 6.632 5.101 1.00 26.48 N ATOM 1055 CA HIS A 128 58.613 7.191 5.417 1.00 25.62 C ATOM 1056 C HIS A 128 58.651 8.691 5.726 1.00 26.39 C ATOM 1057 O HIS A 128 59.552 9.163 6.423 1.00 26.75 O ATOM 1058 CB HIS A 128 58.049 6.423 6.622 1.00 26.03 C ATOM 1059 CG HIS A 128 56.743 6.942 7.129 1.00 30.63 C ATOM 1060 ND1 HIS A 128 55.570 6.827 6.415 1.00 34.31 N ATOM 1061 CD2 HIS A 128 56.424 7.578 8.281 1.00 33.44 C ATOM 1062 CE1 HIS A 128 54.582 7.373 7.105 1.00 35.85 C ATOM 1063 NE2 HIS A 128 55.073 7.836 8.240 1.00 34.62 N ATOM 1064 N LEU A 129 57.689 9.442 5.194 1.00 23.90 N ATOM 1065 CA LEU A 129 57.618 10.868 5.486 1.00 25.81 C ATOM 1066 C LEU A 129 56.702 10.974 6.693 1.00 27.67 C ATOM 1067 O LEU A 129 55.507 10.700 6.595 1.00 28.31 O ATOM 1068 CB LEU A 129 57.022 11.651 4.321 1.00 21.48 C ATOM 1069 CG LEU A 129 56.851 13.159 4.579 1.00 23.05 C ATOM 1070 CD1 LEU A 129 58.220 13.835 4.780 1.00 19.01 C ATOM 1071 CD2 LEU A 129 56.119 13.801 3.403 1.00 14.32 C ATOM 1072 N ASP A 130 57.251 11.343 7.842 1.00 30.09 N ATOM 1073 CA ASP A 130 56.422 11.438 9.029 1.00 35.04 C ATOM 1074 C ASP A 130 55.589 12.717 9.105 1.00 36.01 C ATOM 1075 O ASP A 130 54.387 12.691 9.367 1.00 37.88 O ATOM 1076 CB ASP A 130 57.274 11.317 10.288 1.00 36.83 C ATOM 1077 CG ASP A 130 56.432 11.327 11.548 1.00 39.30 C ATOM 1078 OD1 ASP A 130 56.100 12.426 12.036 1.00 43.01 O ATOM 1079 OD2 ASP A 130 56.085 10.236 12.038 1.00 39.63 O ATOM 1080 N THR A 131 56.234 13.843 8.876 1.00 39.16 N ATOM 1081 CA THR A 131 55.533 15.107 8.940 1.00 42.73 C ATOM 1082 C THR A 131 56.421 16.233 8.440 1.00 44.60 C ATOM 1083 O THR A 131 57.593 16.034 8.110 1.00 44.30 O ATOM 1084 CB THR A 131 55.094 15.420 10.402 1.00 42.32 C ATOM 1085 OG1 THR A 131 53.886 16.190 10.391 1.00 40.59 O ATOM 1086 CG2 THR A 131 56.188 16.192 11.141 1.00 36.75 C ATOM 1087 N THR A 132 55.839 17.420 8.386 1.00 47.31 N ATOM 1088 CA THR A 132 56.543 18.610 7.961 1.00 47.76 C ATOM 1089 C THR A 132 56.141 19.610 9.030 1.00 50.54 C ATOM 1090 O THR A 132 54.990 19.603 9.474 1.00 50.80 O ATOM 1091 CB THR A 132 56.056 19.056 6.573 1.00 48.30 C ATOM 1092 OG1 THR A 132 54.629 18.938 6.510 1.00 50.28 O ATOM 1093 CG2 THR A 132 56.671 18.172 5.479 1.00 43.96 C ATOM 1094 N ILE A 133 57.085 20.440 9.470 1.00 52.20 N ATOM 1095 CA ILE A 133 56.800 21.426 10.515 1.00 51.05 C ATOM 1096 C ILE A 133 57.053 22.868 10.042 1.00 51.22 C ATOM 1097 O ILE A 133 56.340 23.774 10.521 1.00 53.20 O ATOM 1098 CB ILE A 133 57.627 21.114 11.833 1.00 49.59 C ATOM 1099 CG1 ILE A 133 58.716 22.175 12.061 1.00 54.01 C ATOM 1100 CG2 ILE A 133 58.252 19.712 11.751 1.00 44.97 C ATOM 1101 CD1 ILE A 133 59.703 21.873 13.204 1.00 53.49 C ATOM 1102 OXT ILE A 133 57.952 23.084 9.199 1.00 49.19 O TER 1103 ILE A 133 HETATM 1104 O HOH A2001 56.423 6.252 1.320 1.00 42.58 O HETATM 1105 O HOH A2002 55.528 8.331 3.452 1.00 19.88 O HETATM 1106 O HOH A2003 60.698 13.477 -9.997 1.00 26.50 O HETATM 1107 O HOH A2004 61.939 16.362 -11.019 1.00 54.28 O HETATM 1108 O HOH A2005 59.080 15.603 -12.987 1.00 48.04 O HETATM 1109 O HOH A2006 53.085 22.059 -10.201 1.00 39.18 O HETATM 1110 O HOH A2007 52.273 19.547 -15.707 1.00 48.52 O HETATM 1111 O HOH A2008 43.490 2.589 -1.117 1.00 34.86 O HETATM 1112 O HOH A2009 44.182 9.204 1.487 1.00 40.41 O HETATM 1113 O HOH A2010 46.322 11.343 2.868 1.00 58.66 O HETATM 1114 O HOH A2011 52.098 13.184 2.186 1.00 31.31 O HETATM 1115 O HOH A2012 71.745 16.106 -5.234 1.00 46.71 O HETATM 1116 O HOH A2013 66.210 11.988 -6.570 1.00 40.36 O HETATM 1117 O HOH A2014 69.761 12.174 -5.764 1.00 40.27 O HETATM 1118 O HOH A2015 67.303 14.786 13.425 1.00 36.29 O HETATM 1119 O HOH A2016 67.933 20.055 4.270 1.00 45.38 O HETATM 1120 O HOH A2017 65.513 27.201 6.377 1.00 23.87 O HETATM 1121 O HOH A2018 66.457 24.172 0.429 1.00 47.64 O HETATM 1122 O HOH A2019 56.988 24.550 -4.503 1.00 31.44 O HETATM 1123 O HOH A2020 52.703 24.067 3.826 1.00 27.02 O HETATM 1124 O HOH A2021 58.870 28.561 6.309 1.00 49.46 O HETATM 1125 O HOH A2022 64.375 27.278 0.292 1.00 32.47 O HETATM 1126 O HOH A2023 54.125 26.930 3.747 1.00 37.14 O HETATM 1127 O HOH A2024 63.917 0.199 1.097 1.00 24.12 O HETATM 1128 O HOH A2025 57.643 3.756 1.967 1.00 21.94 O HETATM 1129 O HOH A2026 51.987 14.124 8.434 1.00 54.80 O HETATM 1130 O HOH A2027 58.689 25.431 8.616 1.00 48.71 O CONECT 203 700 CONECT 325 793 CONECT 469 921 CONECT 521 594 CONECT 594 521 CONECT 700 203 CONECT 793 325 CONECT 921 469 MASTER 246 0 0 5 8 0 0 6 1129 1 8 11 END If you find results from this site helpful for your research, please cite one of our papers:
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