HEADER ENDONUCLEASE 10-DEC-98 1YVS TITLE TRIMERIC DOMAIN SWAPPED BARNASE COMPND MOL_ID: 1; COMPND 2 MOLECULE: BARNASE; COMPND 3 CHAIN: NULL; COMPND 4 EC: 3.1.27.-; COMPND 5 ENGINEERED: YES; COMPND 6 BIOLOGICAL_UNIT: TRIMER SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; SOURCE 3 EXPRESSION_SYSTEM: ESCHERICHIA COLI KEYWDS ENDONUCLEASE, RIBONUCLEASE, DOMAIN SWAPPED, TRIMER EXPDTA X-RAY DIFFRACTION AUTHOR I.ZEGERS,L.WYNS REVDAT 2 30-MAR-99 1YVSA 1 HET COMPND REMARK FORMUL REVDAT 2 2 1 JRNL KEYWDS HEADER HETSYN REVDAT 2 3 1 HETNAM REVDAT 1 02-FEB-99 1YVS 0 JRNL AUTH I.ZEGERS,J.DESWARTE,L.WYNS JRNL TITL TRIMERIC DOMAIN-SWAPPED BARNASE JRNL REF PROC.NAT.ACAD.SCI.USA V. 96 818 1999 JRNL REFN ASTM PNASA6 US ISSN 0027-8424 0040 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.2 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) : 2.2 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 15.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.0 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 98.7 REMARK 3 NUMBER OF REFLECTIONS : 7960 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) : 0.187 REMARK 3 FREE R VALUE : 0.244 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10 REMARK 3 FREE R VALUE TEST SET COUNT : 625 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 : 8 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.2 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.3 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 96.5 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 786 REMARK 3 BIN R VALUE (WORKING SET) : 0.238 REMARK 3 BIN FREE R VALUE : 0.308 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 7.4 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 78 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 : 862 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 10 REMARK 3 SOLVENT ATOMS : 135 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 30 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 29.61 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) : 0.011 REMARK 3 BOND ANGLES (DEGREES) : 1.502 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 24.491 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.229 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: INITIAL POSITIONAL AND B-FACTOR REMARK 3 REFINEMENT WAS CARRIED OUT WITH X-PLOR (BRUNGER, 1992) REMARK 3 FOR DATA IN THE RESOLUTION RANGE 7.0 - 1.5 ANGSTROMS. AT REMARK 3 R-VALUES OF R=0.174 FOR |F| GREATER THAN 3 SIGMA(F), THE REMARK 3 REFINEMENT WAS CONTINUED WITH THE PROGRAM SHELXL-93. THE REMARK 3 FREE R VALUE WAS MONITORED IN THE FIRST STEPS OF REMARK 3 REFINEMENT. THE MODEL WAS FINALLY REFINED USING ALL REMARK 3 DATA. REMARK 4 REMARK 4 1YVS COMPLIES WITH FORMAT V. 2.3, 09-JULY-1998 REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : AUG-1996 REMARK 200 TEMPERATURE (KELVIN) : 287 REMARK 200 PH : 4.5 REMARK 200 NUMBER OF CRYSTALS USED : 3 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SRS REMARK 200 BEAMLINE : PX7.2 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.488 REMARK 200 MONOCHROMATOR : SI (III) REMARK 200 OPTICS : MIRROR REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : CCP4 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 7408 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.2 REMARK 200 RESOLUTION RANGE LOW (A) : 19.9 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NONE REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98 REMARK 200 DATA REDUNDANCY : 22 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.069 REMARK 200 FOR THE DATA SET : 17 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.17 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.23 REMARK 200 COMPLETENESS FOR SHELL (%) : 95 REMARK 200 DATA REDUNDANCY IN SHELL : 1.9 REMARK 200 R MERGE FOR SHELL (I) : 0.128 REMARK 200 R SYM FOR SHELL (I) : 0.158 REMARK 200 FOR SHELL : 4.7 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REMARK 200 REPLACEMENT REMARK 200 SOFTWARE USED: AMORE REMARK 200 STARTING MODEL: PDB ENTRY 1BRN REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 45.0 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.24 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PEG REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: H 3 2 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 Y-X,-X,Z REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z REMARK 290 6555 -X,Y-X,-Z REMARK 290 7555 2/3+X,1/3+Y,1/3+Z REMARK 290 8555 2/3-Y,1/3+X-Y,1/3+Z REMARK 290 9555 2/3+Y-X,1/3-X,1/3+Z REMARK 290 10555 2/3+Y,1/3+X,1/3-Z REMARK 290 11555 2/3+X-Y,1/3-Y,1/3-Z REMARK 290 12555 2/3-X,1/3+Y-X,1/3-Z REMARK 290 13555 1/3+X,2/3+Y,2/3+Z REMARK 290 14555 1/3-Y,2/3+X-Y,2/3+Z REMARK 290 15555 1/3+Y-X,2/3-X,2/3+Z REMARK 290 16555 1/3+Y,2/3+X,2/3-Z REMARK 290 17555 1/3+X-Y,2/3-Y,2/3-Z REMARK 290 18555 1/3-X,2/3+Y-X,2/3-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 -0.499970 -0.866056 0.000000 0.00000 REMARK 290 SMTRY2 2 0.865995 -0.500030 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 -0.500030 0.866056 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.865995 -0.499970 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -0.499970 0.866091 0.000000 0.00000 REMARK 290 SMTRY2 4 0.865995 0.499970 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 -0.000070 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 0.00000 REMARK 290 SMTRY1 6 -0.500030 -0.866021 0.000000 0.00000 REMARK 290 SMTRY2 6 -0.865995 0.500030 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 7 1.000000 0.000000 0.000000 35.04171 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 20.23022 REMARK 290 SMTRY3 7 0.000000 0.000000 1.000000 54.18292 REMARK 290 SMTRY1 8 -0.499970 -0.866056 0.000000 35.04171 REMARK 290 SMTRY2 8 0.865995 -0.500030 0.000000 20.23022 REMARK 290 SMTRY3 8 0.000000 0.000000 1.000000 54.18292 REMARK 290 SMTRY1 9 -0.500030 0.866056 0.000000 35.04171 REMARK 290 SMTRY2 9 -0.865995 -0.499970 0.000000 20.23022 REMARK 290 SMTRY3 9 0.000000 0.000000 1.000000 54.18292 REMARK 290 SMTRY1 10 -0.499970 0.866091 0.000000 35.04171 REMARK 290 SMTRY2 10 0.865995 0.499970 0.000000 20.23022 REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 54.18292 REMARK 290 SMTRY1 11 1.000000 -0.000070 0.000000 35.04171 REMARK 290 SMTRY2 11 0.000000 -1.000000 0.000000 20.23022 REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 54.18292 REMARK 290 SMTRY1 12 -0.500030 -0.866021 0.000000 35.04171 REMARK 290 SMTRY2 12 -0.865995 0.500030 0.000000 20.23022 REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 54.18292 REMARK 290 SMTRY1 13 1.000000 0.000000 0.000000 0.00142 REMARK 290 SMTRY2 13 0.000000 1.000000 0.000000 40.46044 REMARK 290 SMTRY3 13 0.000000 0.000000 1.000000 108.36584 REMARK 290 SMTRY1 14 -0.499970 -0.866056 0.000000 0.00142 REMARK 290 SMTRY2 14 0.865995 -0.500030 0.000000 40.46044 REMARK 290 SMTRY3 14 0.000000 0.000000 1.000000 108.36584 REMARK 290 SMTRY1 15 -0.500030 0.866056 0.000000 0.00142 REMARK 290 SMTRY2 15 -0.865995 -0.499970 0.000000 40.46044 REMARK 290 SMTRY3 15 0.000000 0.000000 1.000000 108.36584 REMARK 290 SMTRY1 16 -0.499970 0.866091 0.000000 0.00142 REMARK 290 SMTRY2 16 0.865995 0.499970 0.000000 40.46044 REMARK 290 SMTRY3 16 0.000000 0.000000 -1.000000 108.36584 REMARK 290 SMTRY1 17 1.000000 -0.000070 0.000000 0.00142 REMARK 290 SMTRY2 17 0.000000 -1.000000 0.000000 40.46044 REMARK 290 SMTRY3 17 0.000000 0.000000 -1.000000 108.36584 REMARK 290 SMTRY1 18 -0.500030 -0.866021 0.000000 0.00142 REMARK 290 SMTRY2 18 -0.865995 0.500030 0.000000 40.46044 REMARK 290 SMTRY3 18 0.000000 0.000000 -1.000000 108.36584 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE REMARK 300 TRIMER FORMED BY CRYSTALLOGRAPHIC THREE-FOLD SYMMETRY REMARK 350 REMARK 350 GENERATING THE BIOMOLECULE 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 APPLY THE FOLLOWING TO CHAINS: NULL REMARK 350 BIOMT1 1 -0.500030 0.866056 0.000000 0.00000 REMARK 350 BIOMT2 1 -0.865995 -0.499970 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 -0.499970 -0.866056 0.000000 0.00000 REMARK 350 BIOMT2 2 0.865995 -0.500030 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 S SO4 111 REMARK 375 O HOH 157 REMARK 375 REMARK 375 REMARK: NULL REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 ALA 1 REMARK 465 GLN 2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O2 SO4 111 O3 SO4 111 3555 0.13 REMARK 500 O4 SO4 111 O2 SO4 111 3555 0.16 REMARK 500 O1 SO4 111 O1 SO4 111 3555 0.18 REMARK 500 O3 SO4 111 O4 SO4 111 3555 0.18 REMARK 500 O4 SO4 111 S SO4 111 3555 1.39 REMARK 500 O1 SO4 111 S SO4 111 3555 1.47 REMARK 500 O3 SO4 111 S SO4 111 3555 1.50 REMARK 500 O2 SO4 111 S SO4 111 3555 1.56 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 THE FOLLOWING SOLVENT MOLECULES LIE FARTHER THAN EXPECTED REMARK 525 FROM THE PROTEIN OR NUCLEIC ACID MOLECULE AND MAY BE REMARK 525 ASSOCIATED WITH A SYMMETRY RELATED MOLECULE (M=MODEL REMARK 525 NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 0 HOH 127 DISTANCE = 5.63 ANGSTROMS REMARK 525 0 HOH 138 DISTANCE = 5.65 ANGSTROMS REMARK 525 0 HOH 180 DISTANCE = 5.89 ANGSTROMS REMARK 525 0 HOH 187 DISTANCE = 5.54 ANGSTROMS REMARK 525 0 HOH 197 DISTANCE = 5.26 ANGSTROMS REMARK 525 0 HOH 213 DISTANCE = 6.99 ANGSTROMS REMARK 860 REMARK 860 CORRECTION AFTER RELEASE REMARK 860 DATE: 30-MAR-99 REMARK 860 MODID: 1YVSA REMARK 860 MODIFIED BY: PDB REMARK 860 DESCRIPTION: CONVERTED FROM LAYER 1 OR NDB TO LAYER 2 REMARK 999 REMARK 999 SEQUENCE REMARK 999 NO ELECTRON DENSITY WAS OBSERVED FOR THE FIRST 2 RESIDUES. REMARK 999 1YVS SWS P00648 1 - 49 NOT IN ATOMS LIST DBREF 1YVS 3 110 SWS P00648 RNBR_BACAM 50 157 SEQRES 1 110 ALA GLN VAL ILE ASN THR PHE ASP GLY VAL ALA ASP TYR SEQRES 2 110 LEU GLN THR TYR HIS LYS LEU PRO ASP ASN TYR ILE THR SEQRES 3 110 LYS SER GLU ALA GLN ALA LEU GLY TRP VAL ALA SER LYS SEQRES 4 110 GLY ASN LEU ALA ASP VAL ALA PRO GLY LYS SER ILE GLY SEQRES 5 110 GLY ASP ILE PHE SER ASN ARG GLU GLY LYS LEU PRO GLY SEQRES 6 110 LYS SER GLY ARG THR TRP ARG GLU ALA ASP ILE ASN TYR SEQRES 7 110 THR SER GLY PHE ARG ASN SER ASP ARG ILE LEU TYR SER SEQRES 8 110 SER ASP TRP LEU ILE TYR LYS THR THR ASP HIS TYR GLN SEQRES 9 110 THR PHE THR LYS ILE ARG HET SO4 111 5 HET SO4 112 5 HETNAM SO4 SULFATE ION FORMUL 2 SO4 2(O4 S1 2-) FORMUL 3 HOH *102(H2 O1) HELIX 1 1 PHE 7 TYR 17 1 11 HELIX 2 2 LYS 27 ALA 32 1 6 HELIX 3 3 LEU 42 VAL 45 1 4 SHEET 1 A 4 ILE 96 THR 99 0 SHEET 2 A 4 ARG 87 SER 91 -1 N LEU 89 O TYR 97 SHEET 3 A 4 TRP 71 ASP 75 -1 N ALA 74 O ILE 88 SHEET 4 A 4 GLY 52 PHE 56 -1 N PHE 56 O TRP 71 CRYST1 70.080 70.080 162.550 90.00 90.00 120.00 H 3 2 18 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 0.014269 0.008238 0.000000 0.00000 SCALE2 0.000000 0.016477 0.000000 0.00000 SCALE3 0.000000 0.000000 0.006152 0.00000 MTRIX1 1 -0.500030 0.866056 0.000000 0.00000 MTRIX2 1 -0.865995 -0.499970 0.000000 0.00000 MTRIX3 1 0.000000 0.000000 1.000000 0.00000 MTRIX1 2 -0.499970 -0.866056 0.000000 0.00000 MTRIX2 2 0.865995 -0.500030 0.000000 0.00000 MTRIX3 2 0.000000 0.000000 1.000000 0.00000 ATOM 1 N VAL 3 -19.675 -0.999 59.554 1.00 41.23 N ATOM 2 CA VAL 3 -20.796 -0.699 58.609 1.00 43.29 C ATOM 3 C VAL 3 -20.696 0.740 58.059 1.00 39.15 C ATOM 4 O VAL 3 -20.125 0.931 56.989 1.00 39.41 O ATOM 5 CB VAL 3 -22.226 -1.048 59.230 1.00 47.89 C ATOM 6 CG1 VAL 3 -22.535 -0.206 60.480 1.00 50.47 C ATOM 7 CG2 VAL 3 -23.331 -0.900 58.185 1.00 49.38 C ATOM 8 N ILE 4 -21.203 1.743 58.782 1.00 34.11 N ATOM 9 CA ILE 4 -21.142 3.143 58.333 1.00 28.75 C ATOM 10 C ILE 4 -20.064 3.903 59.112 1.00 27.28 C ATOM 11 O ILE 4 -20.234 4.162 60.307 1.00 27.40 O ATOM 12 CB ILE 4 -22.484 3.902 58.578 1.00 28.92 C ATOM 13 CG1 ILE 4 -23.689 3.125 58.032 1.00 28.15 C ATOM 14 CG2 ILE 4 -22.439 5.263 57.889 1.00 27.02 C ATOM 15 CD1 ILE 4 -23.649 2.911 56.545 1.00 36.70 C ATOM 16 N ASN 5 -18.978 4.294 58.443 1.00 25.33 N ATOM 17 CA ASN 5 -17.913 5.035 59.129 1.00 26.11 C ATOM 18 C ASN 5 -17.190 6.146 58.334 1.00 24.27 C ATOM 19 O ASN 5 -16.083 6.560 58.699 1.00 23.17 O ATOM 20 CB ASN 5 -16.896 4.065 59.750 1.00 26.85 C ATOM 21 CG ASN 5 -15.971 3.449 58.729 1.00 28.76 C ATOM 22 OD1 ASN 5 -16.309 3.347 57.547 1.00 27.53 O ATOM 23 ND2 ASN 5 -14.785 3.046 59.175 1.00 27.46 N ATOM 24 N THR 6 -17.816 6.637 57.265 1.00 21.79 N ATOM 25 CA THR 6 -17.226 7.709 56.460 1.00 21.46 C ATOM 26 C THR 6 -17.823 9.036 56.887 1.00 21.10 C ATOM 27 O THR 6 -18.880 9.066 57.515 1.00 20.84 O ATOM 28 CB THR 6 -17.501 7.517 54.963 1.00 21.04 C ATOM 29 OG1 THR 6 -18.909 7.395 54.753 1.00 21.52 O ATOM 30 CG2 THR 6 -16.807 6.278 54.453 1.00 23.06 C ATOM 31 N PHE 7 -17.167 10.132 56.526 1.00 20.98 N ATOM 32 CA PHE 7 -17.655 11.462 56.883 1.00 21.07 C ATOM 33 C PHE 7 -19.074 11.728 56.391 1.00 23.13 C ATOM 34 O PHE 7 -19.943 12.141 57.173 1.00 20.89 O ATOM 35 CB PHE 7 -16.712 12.539 56.354 1.00 22.01 C ATOM 36 CG PHE 7 -15.509 12.772 57.224 1.00 18.76 C ATOM 37 CD1 PHE 7 -15.656 13.308 58.500 1.00 21.86 C ATOM 38 CD2 PHE 7 -14.231 12.470 56.768 1.00 19.58 C ATOM 39 CE1 PHE 7 -14.540 13.543 59.311 1.00 22.44 C ATOM 40 CE2 PHE 7 -13.105 12.701 57.573 1.00 18.76 C ATOM 41 CZ PHE 7 -13.258 13.235 58.840 1.00 19.78 C ATOM 42 N ASP 8 -19.319 11.444 55.114 1.00 21.20 N ATOM 43 CA ASP 8 -20.641 11.653 54.530 1.00 21.01 C ATOM 44 C ASP 8 -21.654 10.590 54.937 1.00 19.41 C ATOM 45 O ASP 8 -22.839 10.886 55.059 1.00 22.52 O ATOM 46 CB ASP 8 -20.562 11.786 52.997 1.00 20.57 C ATOM 47 CG ASP 8 -19.854 13.063 52.558 1.00 26.05 C ATOM 48 OD1 ASP 8 -20.330 14.169 52.909 1.00 26.60 O ATOM 49 OD2 ASP 8 -18.820 12.961 51.858 1.00 26.04 O ATOM 50 N GLY 9 -21.205 9.353 55.124 1.00 16.54 N ATOM 51 CA GLY 9 -22.122 8.306 55.537 1.00 15.20 C ATOM 52 C GLY 9 -22.642 8.561 56.946 1.00 17.27 C ATOM 53 O GLY 9 -23.829 8.412 57.229 1.00 18.07 O ATOM 54 N VAL 10 -21.748 8.970 57.837 1.00 15.90 N ATOM 55 CA VAL 10 -22.132 9.230 59.210 1.00 16.51 C ATOM 56 C VAL 10 -22.972 10.508 59.332 1.00 18.20 C ATOM 57 O VAL 10 -23.999 10.510 60.015 1.00 16.31 O ATOM 58 CB VAL 10 -20.894 9.246 60.146 1.00 15.59 C ATOM 59 CG1 VAL 10 -21.304 9.628 61.583 1.00 11.80 C ATOM 60 CG2 VAL 10 -20.245 7.871 60.136 1.00 12.19 C ATOM 61 N ALA 11 -22.570 11.567 58.624 1.00 19.47 N ATOM 62 CA ALA 11 -23.306 12.839 58.636 1.00 19.25 C ATOM 63 C ALA 11 -24.750 12.666 58.167 1.00 19.71 C ATOM 64 O ALA 11 -25.657 13.228 58.768 1.00 21.30 O ATOM 65 CB ALA 11 -22.588 13.884 57.778 1.00 19.85 C ATOM 66 N ASP 12 -24.969 11.882 57.115 1.00 20.31 N ATOM 67 CA ASP 12 -26.323 11.659 56.614 1.00 24.89 C ATOM 68 C ASP 12 -27.157 10.836 57.590 1.00 25.90 C ATOM 69 O ASP 12 -28.349 11.095 57.754 1.00 28.92 O ATOM 70 CB ASP 12 -26.322 10.970 55.238 1.00 28.54 C ATOM 71 CG ASP 12 -25.666 11.818 54.141 1.00 32.81 C ATOM 72 OD1 ASP 12 -25.741 13.070 54.200 1.00 34.17 O ATOM 73 OD2 ASP 12 -25.077 11.221 53.216 1.00 31.34 O ATOM 74 N TYR 13 -26.540 9.829 58.206 1.00 23.72 N ATOM 75 CA TYR 13 -27.226 8.981 59.178 1.00 20.85 C ATOM 76 C TYR 13 -27.651 9.820 60.401 1.00 20.32 C ATOM 77 O TYR 13 -28.767 9.688 60.898 1.00 21.70 O ATOM 78 CB TYR 13 -26.315 7.826 59.609 1.00 19.41 C ATOM 79 CG TYR 13 -27.043 6.743 60.372 1.00 20.64 C ATOM 80 CD1 TYR 13 -27.333 6.895 61.725 1.00 19.72 C ATOM 81 CD2 TYR 13 -27.483 5.583 59.728 1.00 21.13 C ATOM 82 CE1 TYR 13 -28.052 5.928 62.415 1.00 21.63 C ATOM 83 CE2 TYR 13 -28.199 4.609 60.415 1.00 21.21 C ATOM 84 CZ TYR 13 -28.480 4.792 61.758 1.00 20.81 C ATOM 85 OH TYR 13 -29.203 3.850 62.456 1.00 25.77 O ATOM 86 N LEU 14 -26.765 10.703 60.857 1.00 20.14 N ATOM 87 CA LEU 14 -27.058 11.573 61.989 1.00 21.14 C ATOM 88 C LEU 14 -28.237 12.499 61.693 1.00 25.30 C ATOM 89 O LEU 14 -29.077 12.727 62.557 1.00 25.99 O ATOM 90 CB LEU 14 -25.835 12.413 62.356 1.00 18.09 C ATOM 91 CG LEU 14 -24.696 11.753 63.135 1.00 21.01 C ATOM 92 CD1 LEU 14 -23.494 12.692 63.157 1.00 18.58 C ATOM 93 CD2 LEU 14 -25.139 11.408 64.556 1.00 20.08 C ATOM 94 N GLN 15 -28.313 13.015 60.469 1.00 27.49 N ATOM 95 CA GLN 15 -29.397 13.918 60.087 1.00 31.28 C ATOM 96 C GLN 15 -30.754 13.253 59.975 1.00 29.94 C ATOM 97 O GLN 15 -31.794 13.849 60.264 1.00 33.25 O ATOM 98 CB GLN 15 -29.064 14.616 58.775 1.00 34.85 C ATOM 99 CG GLN 15 -28.442 15.958 59.016 1.00 40.36 C ATOM 100 CD GLN 15 -28.117 16.719 57.744 1.00 46.78 C ATOM 101 OE1 GLN 15 -27.980 16.146 56.644 1.00 46.33 O ATOM 102 NE2 GLN 15 -27.981 18.033 57.892 1.00 49.03 N ATOM 103 N THR 16 -30.724 12.007 59.547 1.00 28.92 N ATOM 104 CA THR 16 -31.915 11.222 59.366 1.00 28.79 C ATOM 105 C THR 16 -32.409 10.551 60.641 1.00 29.35 C ATOM 106 O THR 16 -33.599 10.610 60.950 1.00 31.52 O ATOM 107 CB THR 16 -31.659 10.159 58.291 1.00 29.34 C ATOM 108 OG1 THR 16 -31.303 10.815 57.071 1.00 30.70 O ATOM 109 CG2 THR 16 -32.873 9.309 58.076 1.00 28.38 C ATOM 110 N TYR 17 -31.508 9.919 61.387 1.00 27.40 N ATOM 111 CA TYR 17 -31.915 9.204 62.589 1.00 26.09 C ATOM 112 C TYR 17 -31.637 9.884 63.912 1.00 24.57 C ATOM 113 O TYR 17 -32.126 9.449 64.939 1.00 24.97 O ATOM 114 CB TYR 17 -31.325 7.792 62.581 1.00 26.26 C ATOM 115 CG TYR 17 -31.808 6.952 61.424 1.00 31.22 C ATOM 116 CD1 TYR 17 -33.022 6.268 61.493 1.00 34.31 C ATOM 117 CD2 TYR 17 -31.073 6.867 60.244 1.00 34.12 C ATOM 118 CE1 TYR 17 -33.496 5.511 60.415 1.00 36.11 C ATOM 119 CE2 TYR 17 -31.534 6.112 59.157 1.00 37.68 C ATOM 120 CZ TYR 17 -32.751 5.443 59.248 1.00 38.66 C ATOM 121 OH TYR 17 -33.223 4.719 58.173 1.00 43.85 O ATOM 122 N HIS 18 -30.854 10.951 63.885 1.00 26.77 N ATOM 123 CA HIS 18 -30.492 11.692 65.088 1.00 29.10 C ATOM 124 C HIS 18 -29.745 10.859 66.126 1.00 30.87 C ATOM 125 O HIS 18 -29.937 11.013 67.334 1.00 32.48 O ATOM 126 CB HIS 18 -31.709 12.385 65.702 1.00 30.08 C ATOM 127 CG HIS 18 -32.272 13.462 64.842 1.00 32.48 C ATOM 128 ND1 HIS 18 -33.592 13.853 64.893 1.00 35.24 N ATOM 129 CD2 HIS 18 -31.693 14.234 63.881 1.00 34.28 C ATOM 130 CE1 HIS 18 -33.803 14.813 64.012 1.00 36.99 C ATOM 131 NE2 HIS 18 -32.668 15.061 63.387 1.00 36.16 N ATOM 132 N LYS 19 -28.933 9.931 65.636 1.00 28.78 N ATOM 133 CA LYS 19 -28.111 9.104 66.501 1.00 28.47 C ATOM 134 C LYS 19 -27.087 8.407 65.634 1.00 25.04 C ATOM 135 O LYS 19 -27.240 8.350 64.414 1.00 24.17 O ATOM 136 CB LYS 19 -28.942 8.132 67.361 1.00 30.72 C ATOM 137 CG LYS 19 -29.509 6.916 66.680 1.00 39.74 C ATOM 138 CD LYS 19 -30.378 6.111 67.677 1.00 46.89 C ATOM 139 CE LYS 19 -29.626 5.722 68.964 1.00 54.78 C ATOM 140 NZ LYS 19 -29.827 4.304 69.472 1.00 56.96 N ATOM 141 N LEU 20 -25.983 8.003 66.247 1.00 20.92 N ATOM 142 CA LEU 20 -24.925 7.325 65.524 1.00 19.60 C ATOM 143 C LEU 20 -25.352 5.922 65.119 1.00 20.63 C ATOM 144 O LEU 20 -26.250 5.333 65.723 1.00 18.46 O ATOM 145 CB LEU 20 -23.664 7.234 66.379 1.00 16.76 C ATOM 146 CG LEU 20 -22.874 8.513 66.641 1.00 16.08 C ATOM 147 CD1 LEU 20 -21.855 8.232 67.710 1.00 16.64 C ATOM 148 CD2 LEU 20 -22.196 8.994 65.373 1.00 14.94 C ATOM 149 N PRO 21 -24.742 5.387 64.050 1.00 21.06 N ATOM 150 CA PRO 21 -25.041 4.047 63.556 1.00 20.05 C ATOM 151 C PRO 21 -24.714 3.019 64.649 1.00 22.36 C ATOM 152 O PRO 21 -23.980 3.313 65.593 1.00 22.83 O ATOM 153 CB PRO 21 -24.080 3.909 62.370 1.00 22.00 C ATOM 154 CG PRO 21 -23.932 5.299 61.879 1.00 21.28 C ATOM 155 CD PRO 21 -23.805 6.086 63.145 1.00 19.65 C ATOM 156 N ASP 22 -25.222 1.802 64.498 1.00 20.00 N ATOM 157 CA ASP 22 -25.008 0.731 65.461 1.00 20.00 C ATOM 158 C ASP 22 -23.552 0.235 65.618 1.00 20.00 C ATOM 159 O ASP 22 -23.277 -0.568 66.498 1.00 20.00 O ATOM 160 CB ASP 22 -25.884 -0.495 65.073 1.00 20.00 C ATOM 161 CG ASP 22 -27.387 -0.223 65.156 1.00 20.00 C ATOM 162 OD1 ASP 22 -27.836 0.667 65.973 1.00 20.00 O ATOM 163 OD2 ASP 22 -28.204 -0.887 64.412 1.00 20.00 O ATOM 164 N ASN 23 -22.631 0.708 64.771 1.00 24.47 N ATOM 165 CA ASN 23 -21.216 0.296 64.878 1.00 23.92 C ATOM 166 C ASN 23 -20.375 1.166 65.835 1.00 22.48 C ATOM 167 O ASN 23 -19.169 0.937 65.989 1.00 25.05 O ATOM 168 CB ASN 23 -20.541 0.199 63.492 1.00 23.97 C ATOM 169 CG ASN 23 -20.555 1.519 62.717 1.00 23.17 C ATOM 170 OD1 ASN 23 -21.618 2.039 62.396 1.00 27.97 O ATOM 171 ND2 ASN 23 -19.382 2.043 62.393 1.00 23.44 N ATOM 172 N TYR 24 -21.013 2.142 66.481 1.00 19.04 N ATOM 173 CA TYR 24 -20.357 3.044 67.422 1.00 17.72 C ATOM 174 C TYR 24 -20.657 2.745 68.877 1.00 19.80 C ATOM 175 O TYR 24 -21.793 2.426 69.225 1.00 18.41 O ATOM 176 CB TYR 24 -20.775 4.491 67.157 1.00 15.50 C ATOM 177 CG TYR 24 -20.086 5.085 65.962 1.00 16.97 C ATOM 178 CD1 TYR 24 -18.816 5.641 66.083 1.00 13.91 C ATOM 179 CD2 TYR 24 -20.675 5.043 64.698 1.00 16.75 C ATOM 180 CE1 TYR 24 -18.145 6.131 64.983 1.00 12.91 C ATOM 181 CE2 TYR 24 -20.009 5.540 63.581 1.00 16.09 C ATOM 182 CZ TYR 24 -18.745 6.085 63.731 1.00 15.72 C ATOM 183 OH TYR 24 -18.086 6.604 62.638 1.00 15.73 O ATOM 184 N ILE 25 -19.636 2.870 69.726 1.00 20.51 N ATOM 185 CA ILE 25 -19.779 2.670 71.175 1.00 18.66 C ATOM 186 C ILE 25 -18.964 3.762 71.857 1.00 18.15 C ATOM 187 O ILE 25 -17.934 4.184 71.325 1.00 19.00 O ATOM 188 CB ILE 25 -19.265 1.278 71.659 1.00 20.51 C ATOM 189 CG1 ILE 25 -17.826 1.037 71.209 1.00 18.57 C ATOM 190 CG2 ILE 25 -20.174 0.162 71.159 1.00 21.48 C ATOM 191 CD1 ILE 25 -17.256 -0.260 71.743 1.00 21.71 C ATOM 192 N THR 26 -19.436 4.243 73.004 1.00 14.54 N ATOM 193 CA THR 26 -18.733 5.280 73.743 1.00 14.44 C ATOM 194 C THR 26 -17.437 4.747 74.375 1.00 16.44 C ATOM 195 O THR 26 -17.184 3.538 74.386 1.00 14.54 O ATOM 196 CB THR 26 -19.622 5.855 74.845 1.00 15.72 C ATOM 197 OG1 THR 26 -19.898 4.828 75.800 1.00 17.42 O ATOM 198 CG2 THR 26 -20.939 6.352 74.261 1.00 18.16 C ATOM 199 N LYS 27 -16.613 5.656 74.889 1.00 18.75 N ATOM 200 CA LYS 27 -15.360 5.270 75.530 1.00 21.91 C ATOM 201 C LYS 27 -15.634 4.379 76.739 1.00 22.67 C ATOM 202 O LYS 27 -14.954 3.372 76.932 1.00 23.46 O ATOM 203 CB LYS 27 -14.550 6.505 75.933 1.00 23.61 C ATOM 204 CG LYS 27 -13.364 6.776 74.999 1.00 28.14 C ATOM 205 CD LYS 27 -12.722 8.137 75.206 1.00 31.36 C ATOM 206 CE LYS 27 -13.531 9.223 74.530 1.00 37.06 C ATOM 207 NZ LYS 27 -12.910 10.573 74.673 1.00 42.76 N ATOM 208 N SER 28 -16.685 4.698 77.490 1.00 19.65 N ATOM 209 CA SER 28 -17.060 3.903 78.659 1.00 22.33 C ATOM 210 C SER 28 -17.386 2.471 78.286 1.00 20.03 C ATOM 211 O SER 28 -16.920 1.528 78.925 1.00 23.05 O ATOM 212 CB SER 28 -18.287 4.497 79.339 1.00 22.07 C ATOM 213 OG SER 28 -17.945 5.699 79.988 1.00 30.86 O ATOM 214 N GLU 29 -18.226 2.318 77.269 1.00 18.94 N ATOM 215 CA GLU 29 -18.623 1.005 76.803 1.00 18.42 C ATOM 216 C GLU 29 -17.433 0.182 76.334 1.00 16.33 C ATOM 217 O GLU 29 -17.363 -1.011 76.597 1.00 18.16 O ATOM 218 CB GLU 29 -19.608 1.131 75.646 1.00 21.81 C ATOM 219 CG GLU 29 -20.948 1.713 75.981 1.00 26.56 C ATOM 220 CD GLU 29 -21.798 1.806 74.728 1.00 30.67 C ATOM 221 OE1 GLU 29 -21.630 2.789 73.983 1.00 32.70 O ATOM 222 OE2 GLU 29 -22.618 0.890 74.484 1.00 37.54 O ATOM 223 N ALA 30 -16.513 0.824 75.620 1.00 16.01 N ATOM 224 CA ALA 30 -15.312 0.167 75.108 1.00 16.86 C ATOM 225 C ALA 30 -14.470 -0.319 76.294 1.00 17.04 C ATOM 226 O ALA 30 -13.966 -1.445 76.296 1.00 14.59 O ATOM 227 CB ALA 30 -14.511 1.147 74.247 1.00 13.11 C ATOM 228 N GLN 31 -14.344 0.547 77.301 1.00 16.85 N ATOM 229 CA GLN 31 -13.583 0.248 78.513 1.00 18.92 C ATOM 230 C GLN 31 -14.210 -0.893 79.317 1.00 21.34 C ATOM 231 O GLN 31 -13.501 -1.757 79.829 1.00 18.20 O ATOM 232 CB GLN 31 -13.440 1.511 79.362 1.00 19.79 C ATOM 233 CG GLN 31 -12.421 2.478 78.777 1.00 20.10 C ATOM 234 CD GLN 31 -12.454 3.833 79.415 1.00 22.18 C ATOM 235 OE1 GLN 31 -11.772 4.744 78.965 1.00 26.32 O ATOM 236 NE2 GLN 31 -13.244 3.984 80.466 1.00 23.38 N ATOM 237 N ALA 32 -15.541 -0.906 79.382 1.00 19.09 N ATOM 238 CA ALA 32 -16.275 -1.953 80.079 1.00 20.04 C ATOM 239 C ALA 32 -15.945 -3.296 79.432 1.00 21.14 C ATOM 240 O ALA 32 -15.932 -4.341 80.099 1.00 20.88 O ATOM 241 CB ALA 32 -17.782 -1.687 79.991 1.00 15.10 C ATOM 242 N LEU 33 -15.662 -3.253 78.131 1.00 19.18 N ATOM 243 CA LEU 33 -15.329 -4.454 77.373 1.00 20.88 C ATOM 244 C LEU 33 -13.871 -4.892 77.465 1.00 19.91 C ATOM 245 O LEU 33 -13.513 -5.946 76.944 1.00 20.76 O ATOM 246 CB LEU 33 -15.730 -4.299 75.900 1.00 20.91 C ATOM 247 CG LEU 33 -17.216 -4.152 75.557 1.00 23.72 C ATOM 248 CD1 LEU 33 -17.389 -4.107 74.033 1.00 22.78 C ATOM 249 CD2 LEU 33 -18.001 -5.310 76.145 1.00 22.26 C ATOM 250 N GLY 34 -13.024 -4.074 78.083 1.00 19.24 N ATOM 251 CA GLY 34 -11.620 -4.435 78.210 1.00 19.88 C ATOM 252 C GLY 34 -10.611 -3.588 77.439 1.00 21.00 C ATOM 253 O GLY 34 -9.402 -3.830 77.541 1.00 22.33 O ATOM 254 N TRP 35 -11.083 -2.611 76.663 1.00 19.90 N ATOM 255 CA TRP 35 -10.195 -1.732 75.894 1.00 17.27 C ATOM 256 C TRP 35 -9.603 -0.627 76.767 1.00 17.26 C ATOM 257 O TRP 35 -10.327 0.048 77.495 1.00 17.63 O ATOM 258 CB TRP 35 -10.966 -1.073 74.741 1.00 17.92 C ATOM 259 CG TRP 35 -10.184 -0.022 73.994 1.00 16.68 C ATOM 260 CD1 TRP 35 -9.213 -0.235 73.053 1.00 15.88 C ATOM 261 CD2 TRP 35 -10.323 1.410 74.096 1.00 19.06 C ATOM 262 NE1 TRP 35 -8.749 0.960 72.562 1.00 14.74 N ATOM 263 CE2 TRP 35 -9.414 1.985 73.182 1.00 18.99 C ATOM 264 CE3 TRP 35 -11.139 2.253 74.870 1.00 17.18 C ATOM 265 CZ2 TRP 35 -9.288 3.375 73.012 1.00 21.83 C ATOM 266 CZ3 TRP 35 -11.010 3.641 74.700 1.00 20.00 C ATOM 267 CH2 TRP 35 -10.092 4.183 73.775 1.00 20.01 C ATOM 268 N VAL 36 -8.288 -0.445 76.688 1.00 15.16 N ATOM 269 CA VAL 36 -7.617 0.613 77.435 1.00 16.97 C ATOM 270 C VAL 36 -6.838 1.398 76.396 1.00 19.21 C ATOM 271 O VAL 36 -5.952 0.845 75.752 1.00 21.38 O ATOM 272 CB VAL 36 -6.627 0.068 78.505 1.00 17.94 C ATOM 273 CG1 VAL 36 -5.990 1.224 79.254 1.00 16.73 C ATOM 274 CG2 VAL 36 -7.343 -0.851 79.486 1.00 17.27 C ATOM 275 N ALA 37 -7.193 2.669 76.210 1.00 20.32 N ATOM 276 CA ALA 37 -6.523 3.522 75.226 1.00 23.93 C ATOM 277 C ALA 37 -5.009 3.509 75.410 1.00 24.37 C ATOM 278 O ALA 37 -4.503 3.681 76.523 1.00 25.99 O ATOM 279 CB ALA 37 -7.044 4.960 75.313 1.00 21.38 C ATOM 280 N SER 38 -4.285 3.262 74.327 1.00 23.31 N ATOM 281 CA SER 38 -2.834 3.246 74.394 1.00 21.20 C ATOM 282 C SER 38 -2.296 4.674 74.417 1.00 22.36 C ATOM 283 O SER 38 -2.926 5.601 73.885 1.00 19.83 O ATOM 284 CB SER 38 -2.256 2.495 73.195 1.00 22.96 C ATOM 285 OG SER 38 -0.843 2.595 73.158 1.00 19.84 O ATOM 286 N LYS 39 -1.160 4.844 75.092 1.00 21.28 N ATOM 287 CA LYS 39 -0.486 6.124 75.178 1.00 21.53 C ATOM 288 C LYS 39 0.843 6.040 74.429 1.00 22.90 C ATOM 289 O LYS 39 1.662 6.965 74.497 1.00 22.53 O ATOM 290 CB LYS 39 -0.275 6.501 76.634 1.00 23.03 C ATOM 291 CG LYS 39 -1.483 7.208 77.219 1.00 32.01 C ATOM 292 CD LYS 39 -1.569 7.093 78.745 1.00 38.66 C ATOM 293 CE LYS 39 -0.483 7.898 79.449 1.00 45.47 C ATOM 294 NZ LYS 39 -0.621 7.806 80.933 1.00 46.34 N ATOM 295 N GLY 40 1.003 4.959 73.655 1.00 19.97 N ATOM 296 CA GLY 40 2.218 4.716 72.900 1.00 16.37 C ATOM 297 C GLY 40 2.373 5.335 71.517 1.00 18.15 C ATOM 298 O GLY 40 3.417 5.158 70.888 1.00 18.29 O ATOM 299 N ASN 41 1.359 6.040 71.026 1.00 17.22 N ATOM 300 CA ASN 41 1.432 6.675 69.709 1.00 17.64 C ATOM 301 C ASN 41 1.851 8.141 69.907 1.00 18.85 C ATOM 302 O ASN 41 1.038 8.971 70.318 1.00 17.49 O ATOM 303 CB ASN 41 0.063 6.586 69.021 1.00 18.25 C ATOM 304 CG ASN 41 0.080 7.098 67.597 1.00 22.41 C ATOM 305 OD1 ASN 41 1.111 7.568 67.121 1.00 26.95 O ATOM 306 ND2 ASN 41 -1.050 7.012 66.910 1.00 17.81 N ATOM 307 N LEU 42 3.116 8.451 69.623 1.00 18.19 N ATOM 308 CA LEU 42 3.641 9.808 69.787 1.00 17.38 C ATOM 309 C LEU 42 2.838 10.883 69.049 1.00 20.25 C ATOM 310 O LEU 42 2.735 12.010 69.529 1.00 21.70 O ATOM 311 CB LEU 42 5.112 9.871 69.369 1.00 16.26 C ATOM 312 CG LEU 42 5.781 11.226 69.599 1.00 14.12 C ATOM 313 CD1 LEU 42 5.786 11.546 71.079 1.00 12.23 C ATOM 314 CD2 LEU 42 7.194 11.207 69.053 1.00 14.45 C ATOM 315 N ALA 43 2.242 10.521 67.913 1.00 22.07 N ATOM 316 CA ALA 43 1.434 11.454 67.116 1.00 27.29 C ATOM 317 C ALA 43 0.237 12.046 67.858 1.00 28.13 C ATOM 318 O ALA 43 -0.225 13.135 67.518 1.00 32.45 O ATOM 319 CB ALA 43 0.954 10.785 65.835 1.00 28.91 C ATOM 320 N ASP 44 -0.286 11.323 68.846 1.00 27.01 N ATOM 321 CA ASP 44 -1.428 11.800 69.614 1.00 25.64 C ATOM 322 C ASP 44 -1.129 12.991 70.494 1.00 26.71 C ATOM 323 O ASP 44 -1.956 13.894 70.617 1.00 28.93 O ATOM 324 CB ASP 44 -1.992 10.692 70.494 1.00 27.64 C ATOM 325 CG ASP 44 -2.858 9.729 69.731 1.00 29.54 C ATOM 326 OD1 ASP 44 -3.385 10.105 68.661 1.00 32.40 O ATOM 327 OD2 ASP 44 -3.019 8.594 70.219 1.00 30.96 O ATOM 328 N VAL 45 0.042 12.983 71.122 1.00 26.47 N ATOM 329 CA VAL 45 0.423 14.060 72.024 1.00 25.97 C ATOM 330 C VAL 45 1.358 15.085 71.399 1.00 26.91 C ATOM 331 O VAL 45 1.420 16.236 71.835 1.00 29.25 O ATOM 332 CB VAL 45 1.053 13.490 73.311 1.00 27.92 C ATOM 333 CG1 VAL 45 0.037 12.625 74.044 1.00 29.41 C ATOM 334 CG2 VAL 45 2.266 12.662 72.979 1.00 25.46 C ATOM 335 N ALA 46 2.038 14.688 70.331 1.00 25.06 N ATOM 336 CA ALA 46 2.975 15.583 69.668 1.00 22.60 C ATOM 337 C ALA 46 3.064 15.316 68.165 1.00 22.71 C ATOM 338 O ALA 46 4.030 14.727 67.684 1.00 22.98 O ATOM 339 CB ALA 46 4.340 15.446 70.313 1.00 19.37 C ATOM 340 N PRO 47 2.058 15.775 67.404 1.00 23.39 N ATOM 341 CA PRO 47 1.990 15.601 65.947 1.00 21.98 C ATOM 342 C PRO 47 3.216 16.177 65.251 1.00 23.35 C ATOM 343 O PRO 47 3.719 17.227 65.641 1.00 23.73 O ATOM 344 CB PRO 47 0.747 16.407 65.568 1.00 24.85 C ATOM 345 CG PRO 47 -0.090 16.357 66.790 1.00 25.64 C ATOM 346 CD PRO 47 0.909 16.548 67.896 1.00 22.19 C ATOM 347 N GLY 48 3.697 15.467 64.233 1.00 22.99 N ATOM 348 CA GLY 48 4.846 15.908 63.463 1.00 21.29 C ATOM 349 C GLY 48 6.205 15.762 64.115 1.00 22.92 C ATOM 350 O GLY 48 7.222 16.087 63.507 1.00 26.15 O ATOM 351 N LYS 49 6.239 15.243 65.336 1.00 21.97 N ATOM 352 CA LYS 49 7.497 15.082 66.051 1.00 20.26 C ATOM 353 C LYS 49 8.029 13.657 66.035 1.00 18.82 C ATOM 354 O LYS 49 7.302 12.706 65.765 1.00 17.62 O ATOM 355 CB LYS 49 7.334 15.540 67.503 1.00 24.06 C ATOM 356 CG LYS 49 6.770 16.939 67.644 1.00 29.35 C ATOM 357 CD LYS 49 7.858 18.002 67.572 1.00 35.29 C ATOM 358 CE LYS 49 7.262 19.389 67.688 1.00 39.31 C ATOM 359 NZ LYS 49 6.263 19.453 68.808 1.00 48.00 N ATOM 360 N SER 50 9.308 13.527 66.370 1.00 15.35 N ATOM 361 CA SER 50 9.979 12.242 66.431 1.00 15.22 C ATOM 362 C SER 50 10.856 12.234 67.679 1.00 13.82 C ATOM 363 O SER 50 11.257 13.282 68.156 1.00 14.37 O ATOM 364 CB SER 50 10.874 12.044 65.196 1.00 11.76 C ATOM 365 OG SER 50 10.103 11.908 64.017 1.00 15.64 O ATOM 366 N ILE 51 11.137 11.044 68.202 1.00 14.45 N ATOM 367 CA ILE 51 12.000 10.878 69.364 1.00 15.32 C ATOM 368 C ILE 51 13.463 10.976 68.895 1.00 16.63 C ATOM 369 O ILE 51 13.845 10.351 67.900 1.00 16.74 O ATOM 370 CB ILE 51 11.786 9.488 70.026 1.00 15.27 C ATOM 371 CG1 ILE 51 10.370 9.365 70.599 1.00 20.33 C ATOM 372 CG2 ILE 51 12.807 9.266 71.126 1.00 19.80 C ATOM 373 CD1 ILE 51 10.074 10.291 71.765 1.00 19.09 C ATOM 374 N GLY 52 14.279 11.754 69.600 1.00 14.46 N ATOM 375 CA GLY 52 15.672 11.875 69.219 1.00 12.80 C ATOM 376 C GLY 52 16.470 12.752 70.161 1.00 19.00 C ATOM 377 O GLY 52 15.903 13.630 70.825 1.00 18.16 O ATOM 378 N GLY 53 17.773 12.482 70.271 1.00 18.90 N ATOM 379 CA GLY 53 18.633 13.276 71.135 1.00 21.26 C ATOM 380 C GLY 53 19.149 12.579 72.381 1.00 22.70 C ATOM 381 O GLY 53 19.969 13.126 73.125 1.00 26.57 O ATOM 382 N ASP 54 18.662 11.374 72.622 1.00 21.46 N ATOM 383 CA ASP 54 19.080 10.618 73.787 1.00 24.07 C ATOM 384 C ASP 54 20.423 9.926 73.617 1.00 26.75 C ATOM 385 O ASP 54 20.877 9.684 72.497 1.00 27.90 O ATOM 386 CB ASP 54 17.996 9.612 74.156 1.00 21.57 C ATOM 387 CG ASP 54 16.772 10.287 74.720 1.00 20.23 C ATOM 388 OD1 ASP 54 16.887 10.828 75.826 1.00 23.71 O ATOM 389 OD2 ASP 54 15.710 10.309 74.073 1.00 21.24 O ATOM 390 N ILE 55 21.056 9.617 74.747 1.00 27.92 N ATOM 391 CA ILE 55 22.349 8.945 74.784 1.00 26.76 C ATOM 392 C ILE 55 22.251 7.470 74.413 1.00 28.16 C ATOM 393 O ILE 55 21.352 6.757 74.866 1.00 28.35 O ATOM 394 CB ILE 55 22.996 9.040 76.199 1.00 26.46 C ATOM 395 CG1 ILE 55 23.452 10.465 76.465 1.00 28.34 C ATOM 396 CG2 ILE 55 24.207 8.123 76.309 1.00 26.19 C ATOM 397 CD1 ILE 55 24.576 10.892 75.560 1.00 34.62 C ATOM 398 N PHE 56 23.160 7.044 73.540 1.00 28.93 N ATOM 399 CA PHE 56 23.268 5.656 73.131 1.00 30.21 C ATOM 400 C PHE 56 24.530 5.188 73.850 1.00 32.05 C ATOM 401 O PHE 56 25.620 5.716 73.624 1.00 32.82 O ATOM 402 CB PHE 56 23.452 5.535 71.620 1.00 30.52 C ATOM 403 CG PHE 56 23.639 4.123 71.159 1.00 32.69 C ATOM 404 CD1 PHE 56 22.598 3.202 71.267 1.00 31.24 C ATOM 405 CD2 PHE 56 24.860 3.701 70.643 1.00 32.32 C ATOM 406 CE1 PHE 56 22.770 1.882 70.869 1.00 32.03 C ATOM 407 CE2 PHE 56 25.041 2.379 70.242 1.00 35.04 C ATOM 408 CZ PHE 56 23.991 1.469 70.356 1.00 32.95 C ATOM 409 N SER 57 24.385 4.189 74.709 1.00 37.14 N ATOM 410 CA SER 57 25.512 3.695 75.500 1.00 41.13 C ATOM 411 C SER 57 26.675 3.074 74.741 1.00 40.48 C ATOM 412 O SER 57 27.831 3.261 75.122 1.00 39.13 O ATOM 413 CB SER 57 25.014 2.738 76.583 1.00 43.23 C ATOM 414 OG SER 57 24.184 3.425 77.501 1.00 46.33 O ATOM 415 N ASN 58 26.372 2.330 73.682 1.00 41.34 N ATOM 416 CA ASN 58 27.409 1.680 72.875 1.00 46.47 C ATOM 417 C ASN 58 28.165 0.651 73.734 1.00 51.34 C ATOM 418 O ASN 58 29.388 0.513 73.633 1.00 52.29 O ATOM 419 CB ASN 58 28.373 2.736 72.288 1.00 38.69 C ATOM 420 CG ASN 58 29.294 2.174 71.214 1.00 34.80 C ATOM 421 OD1 ASN 58 28.911 1.305 70.439 1.00 31.76 O ATOM 422 ND2 ASN 58 30.516 2.681 71.165 1.00 30.76 N ATOM 423 N ARG 59 27.415 -0.071 74.571 1.00 57.46 N ATOM 424 CA ARG 59 27.970 -1.101 75.458 1.00 61.44 C ATOM 425 C ARG 59 28.577 -2.244 74.630 1.00 60.43 C ATOM 426 O ARG 59 29.570 -2.857 75.034 1.00 60.31 O ATOM 427 CB ARG 59 26.877 -1.644 76.398 1.00 67.13 C ATOM 428 CG ARG 59 26.227 -0.590 77.315 1.00 75.27 C ATOM 429 CD ARG 59 27.058 -0.263 78.568 1.00 81.21 C ATOM 430 NE ARG 59 26.757 -1.169 79.681 1.00 86.30 N ATOM 431 CZ ARG 59 27.659 -1.902 80.335 1.00 88.81 C ATOM 432 NH1 ARG 59 28.947 -1.845 79.997 1.00 88.46 N ATOM 433 NH2 ARG 59 27.270 -2.708 81.321 1.00 87.87 N ATOM 434 N GLU 60 27.984 -2.505 73.465 1.00 59.42 N ATOM 435 CA GLU 60 28.445 -3.551 72.551 1.00 57.98 C ATOM 436 C GLU 60 29.774 -3.170 71.883 1.00 53.52 C ATOM 437 O GLU 60 30.585 -4.034 71.571 1.00 52.56 O ATOM 438 CB GLU 60 27.385 -3.845 71.480 1.00 63.91 C ATOM 439 CG GLU 60 26.080 -4.462 72.003 1.00 72.51 C ATOM 440 CD GLU 60 25.013 -3.428 72.389 1.00 78.78 C ATOM 441 OE1 GLU 60 25.357 -2.272 72.738 1.00 81.20 O ATOM 442 OE2 GLU 60 23.813 -3.784 72.335 1.00 82.72 O ATOM 443 N GLY 61 29.983 -1.876 71.654 1.00 49.27 N ATOM 444 CA GLY 61 31.221 -1.415 71.051 1.00 44.88 C ATOM 445 C GLY 61 31.324 -1.548 69.542 1.00 44.24 C ATOM 446 O GLY 61 32.425 -1.643 68.999 1.00 41.92 O ATOM 447 N LYS 62 30.188 -1.545 68.851 1.00 42.10 N ATOM 448 CA LYS 62 30.215 -1.661 67.398 1.00 40.57 C ATOM 449 C LYS 62 30.517 -0.312 66.767 1.00 37.29 C ATOM 450 O LYS 62 30.833 -0.238 65.583 1.00 38.67 O ATOM 451 CB LYS 62 28.898 -2.221 66.875 1.00 43.92 C ATOM 452 CG LYS 62 28.447 -3.439 67.638 1.00 47.82 C ATOM 453 CD LYS 62 27.310 -4.138 66.946 1.00 52.62 C ATOM 454 CE LYS 62 26.788 -5.261 67.827 1.00 57.29 C ATOM 455 NZ LYS 62 25.797 -6.113 67.120 1.00 60.91 N ATOM 456 N LEU 63 30.388 0.751 67.559 1.00 33.56 N ATOM 457 CA LEU 63 30.674 2.106 67.100 1.00 32.54 C ATOM 458 C LEU 63 32.042 2.476 67.637 1.00 31.07 C ATOM 459 O LEU 63 32.388 2.113 68.750 1.00 33.35 O ATOM 460 CB LEU 63 29.628 3.098 67.620 1.00 29.40 C ATOM 461 CG LEU 63 28.219 3.010 67.040 1.00 27.53 C ATOM 462 CD1 LEU 63 27.339 4.076 67.649 1.00 29.19 C ATOM 463 CD2 LEU 63 28.284 3.192 65.545 1.00 27.91 C ATOM 464 N PRO 64 32.841 3.202 66.850 1.00 31.30 N ATOM 465 CA PRO 64 34.173 3.578 67.335 1.00 31.68 C ATOM 466 C PRO 64 34.160 4.434 68.601 1.00 31.97 C ATOM 467 O PRO 64 33.504 5.472 68.654 1.00 32.14 O ATOM 468 CB PRO 64 34.781 4.312 66.134 1.00 31.81 C ATOM 469 CG PRO 64 33.576 4.804 65.365 1.00 31.92 C ATOM 470 CD PRO 64 32.625 3.653 65.466 1.00 29.65 C ATOM 471 N GLY 65 34.855 3.953 69.632 1.00 32.91 N ATOM 472 CA GLY 65 34.935 4.670 70.891 1.00 32.48 C ATOM 473 C GLY 65 36.180 5.536 70.991 1.00 32.51 C ATOM 474 O GLY 65 37.150 5.348 70.259 1.00 33.06 O ATOM 475 N LYS 66 36.138 6.494 71.906 1.00 33.22 N ATOM 476 CA LYS 66 37.234 7.424 72.150 1.00 35.72 C ATOM 477 C LYS 66 36.946 8.156 73.460 1.00 39.42 C ATOM 478 O LYS 66 35.793 8.242 73.894 1.00 40.65 O ATOM 479 CB LYS 66 37.346 8.449 71.019 1.00 34.62 C ATOM 480 CG LYS 66 38.416 9.478 71.266 1.00 37.39 C ATOM 481 CD LYS 66 38.357 10.663 70.334 1.00 39.08 C ATOM 482 CE LYS 66 39.340 11.712 70.846 1.00 44.99 C ATOM 483 NZ LYS 66 39.824 12.643 69.800 1.00 48.42 N ATOM 484 N SER 67 37.997 8.673 74.092 1.00 42.56 N ATOM 485 CA SER 67 37.856 9.404 75.345 1.00 44.90 C ATOM 486 C SER 67 37.172 10.748 75.144 1.00 44.58 C ATOM 487 O SER 67 37.652 11.605 74.379 1.00 43.47 O ATOM 488 CB SER 67 39.220 9.611 76.013 1.00 48.92 C ATOM 489 OG SER 67 39.713 8.383 76.515 1.00 54.02 O ATOM 490 N GLY 68 36.054 10.924 75.849 1.00 42.38 N ATOM 491 CA GLY 68 35.303 12.160 75.757 1.00 39.71 C ATOM 492 C GLY 68 34.226 12.137 74.688 1.00 38.05 C ATOM 493 O GLY 68 33.449 13.091 74.577 1.00 42.14 O ATOM 494 N ARG 69 34.175 11.067 73.896 1.00 32.80 N ATOM 495 CA ARG 69 33.170 10.965 72.844 1.00 29.67 C ATOM 496 C ARG 69 31.922 10.265 73.338 1.00 27.82 C ATOM 497 O ARG 69 31.991 9.140 73.832 1.00 25.50 O ATOM 498 CB ARG 69 33.711 10.205 71.629 1.00 27.22 C ATOM 499 CG ARG 69 32.626 9.828 70.624 1.00 26.03 C ATOM 500 CD ARG 69 33.154 8.928 69.523 1.00 25.46 C ATOM 501 NE ARG 69 34.128 9.617 68.682 1.00 23.42 N ATOM 502 CZ ARG 69 35.009 9.004 67.901 1.00 23.19 C ATOM 503 NH1 ARG 69 35.043 7.681 67.855 1.00 20.99 N ATOM 504 NH2 ARG 69 35.843 9.717 67.154 1.00 21.65 N ATOM 505 N THR 70 30.783 10.934 73.210 1.00 25.77 N ATOM 506 CA THR 70 29.519 10.325 73.605 1.00 28.45 C ATOM 507 C THR 70 28.690 10.141 72.328 1.00 27.12 C ATOM 508 O THR 70 28.880 10.879 71.360 1.00 28.43 O ATOM 509 CB THR 70 28.751 11.194 74.626 1.00 28.00 C ATOM 510 OG1 THR 70 28.269 12.378 73.991 1.00 32.39 O ATOM 511 CG2 THR 70 29.669 11.593 75.780 1.00 30.47 C ATOM 512 N TRP 71 27.839 9.118 72.296 1.00 24.89 N ATOM 513 CA TRP 71 26.984 8.848 71.139 1.00 23.58 C ATOM 514 C TRP 71 25.509 9.133 71.445 1.00 23.40 C ATOM 515 O TRP 71 25.034 8.912 72.558 1.00 23.58 O ATOM 516 CB TRP 71 27.129 7.388 70.671 1.00 23.74 C ATOM 517 CG TRP 71 28.442 7.066 69.983 1.00 22.96 C ATOM 518 CD1 TRP 71 29.558 6.538 70.564 1.00 22.62 C ATOM 519 CD2 TRP 71 28.755 7.253 68.600 1.00 20.42 C ATOM 520 NE1 TRP 71 30.555 6.387 69.627 1.00 19.55 N ATOM 521 CE2 TRP 71 30.098 6.814 68.416 1.00 20.84 C ATOM 522 CE3 TRP 71 28.051 7.750 67.490 1.00 18.55 C ATOM 523 CZ2 TRP 71 30.731 6.864 67.172 1.00 17.59 C ATOM 524 CZ3 TRP 71 28.681 7.800 66.260 1.00 16.71 C ATOM 525 CH2 TRP 71 30.014 7.358 66.111 1.00 18.19 C ATOM 526 N ARG 72 24.802 9.673 70.460 1.00 21.84 N ATOM 527 CA ARG 72 23.385 9.967 70.607 1.00 20.38 C ATOM 528 C ARG 72 22.639 9.379 69.429 1.00 21.08 C ATOM 529 O ARG 72 23.246 9.043 68.409 1.00 20.29 O ATOM 530 CB ARG 72 23.135 11.470 70.710 1.00 17.32 C ATOM 531 CG ARG 72 23.633 12.055 72.002 1.00 18.61 C ATOM 532 CD ARG 72 23.299 13.506 72.085 1.00 24.75 C ATOM 533 NE ARG 72 24.016 14.146 73.183 1.00 32.35 N ATOM 534 CZ ARG 72 23.596 14.177 74.445 1.00 37.38 C ATOM 535 NH1 ARG 72 22.442 13.596 74.786 1.00 34.79 N ATOM 536 NH2 ARG 72 24.325 14.808 75.364 1.00 37.37 N ATOM 537 N GLU 73 21.328 9.242 69.575 1.00 19.56 N ATOM 538 CA GLU 73 20.512 8.682 68.522 1.00 20.94 C ATOM 539 C GLU 73 19.241 9.463 68.239 1.00 21.83 C ATOM 540 O GLU 73 18.827 10.333 69.017 1.00 20.91 O ATOM 541 CB GLU 73 20.185 7.221 68.835 1.00 27.88 C ATOM 542 CG GLU 73 20.066 6.897 70.330 1.00 37.13 C ATOM 543 CD GLU 73 18.643 6.642 70.787 1.00 43.20 C ATOM 544 OE1 GLU 73 17.721 7.299 70.268 1.00 46.19 O ATOM 545 OE2 GLU 73 18.449 5.781 71.673 1.00 46.70 O ATOM 546 N ALA 74 18.648 9.167 67.089 1.00 19.21 N ATOM 547 CA ALA 74 17.416 9.808 66.675 1.00 18.10 C ATOM 548 C ALA 74 16.664 8.881 65.718 1.00 19.91 C ATOM 549 O ALA 74 17.279 8.192 64.893 1.00 20.84 O ATOM 550 CB ALA 74 17.718 11.148 66.007 1.00 12.66 C ATOM 551 N ASP 75 15.343 8.815 65.893 1.00 18.79 N ATOM 552 CA ASP 75 14.452 8.007 65.052 1.00 16.73 C ATOM 553 C ASP 75 14.384 8.558 63.636 1.00 17.29 C ATOM 554 O ASP 75 14.332 9.768 63.449 1.00 16.13 O ATOM 555 CB ASP 75 13.029 8.043 65.617 1.00 14.37 C ATOM 556 CG ASP 75 12.854 7.173 66.836 1.00 16.74 C ATOM 557 OD1 ASP 75 13.870 6.810 67.462 1.00 19.68 O ATOM 558 OD2 ASP 75 11.692 6.849 67.165 1.00 18.12 O ATOM 559 N ILE 76 14.352 7.675 62.641 1.00 18.06 N ATOM 560 CA ILE 76 14.272 8.097 61.247 1.00 17.39 C ATOM 561 C ILE 76 13.038 7.471 60.607 1.00 17.05 C ATOM 562 O ILE 76 12.636 6.382 60.991 1.00 19.00 O ATOM 563 CB ILE 76 15.550 7.665 60.456 1.00 19.70 C ATOM 564 CG1 ILE 76 16.806 8.309 61.064 1.00 13.43 C ATOM 565 CG2 ILE 76 15.432 8.042 58.969 1.00 11.43 C ATOM 566 CD1 ILE 76 16.852 9.835 60.920 1.00 13.91 C ATOM 567 N ASN 77 12.433 8.173 59.653 1.00 16.95 N ATOM 568 CA ASN 77 11.245 7.702 58.929 1.00 20.78 C ATOM 569 C ASN 77 9.966 7.501 59.756 1.00 22.79 C ATOM 570 O ASN 77 9.043 6.807 59.311 1.00 22.44 O ATOM 571 CB ASN 77 11.546 6.408 58.156 1.00 21.78 C ATOM 572 CG ASN 77 12.672 6.564 57.152 1.00 21.04 C ATOM 573 OD1 ASN 77 12.783 7.596 56.488 1.00 21.81 O ATOM 574 ND2 ASN 77 13.508 5.544 57.035 1.00 19.54 N ATOM 575 N TYR 78 9.910 8.100 60.947 1.00 23.83 N ATOM 576 CA TYR 78 8.730 7.994 61.812 1.00 22.38 C ATOM 577 C TYR 78 7.643 9.000 61.419 1.00 23.32 C ATOM 578 O TYR 78 7.943 10.178 61.197 1.00 23.20 O ATOM 579 CB TYR 78 9.106 8.230 63.277 1.00 20.48 C ATOM 580 CG TYR 78 7.921 8.097 64.203 1.00 20.88 C ATOM 581 CD1 TYR 78 7.406 6.839 64.528 1.00 20.47 C ATOM 582 CD2 TYR 78 7.265 9.229 64.698 1.00 21.53 C ATOM 583 CE1 TYR 78 6.282 6.711 65.331 1.00 21.87 C ATOM 584 CE2 TYR 78 6.134 9.114 65.500 1.00 20.32 C ATOM 585 CZ TYR 78 5.645 7.851 65.805 1.00 20.25 C ATOM 586 OH TYR 78 4.526 7.720 66.587 1.00 18.59 O ATOM 587 N THR 79 6.397 8.523 61.321 1.00 20.13 N ATOM 588 CA THR 79 5.238 9.358 60.991 1.00 19.52 C ATOM 589 C THR 79 4.237 9.245 62.159 1.00 20.60 C ATOM 590 O THR 79 3.920 10.247 62.802 1.00 20.35 O ATOM 591 CB THR 79 4.569 8.865 59.719 1.00 15.92 C ATOM 592 OG1 THR 79 5.097 9.535 58.586 1.00 25.74 O ATOM 593 CG2 THR 79 3.058 9.095 59.726 1.00 35.23 C ATOM 594 N SER 80 3.790 8.029 62.476 1.00 17.94 N ATOM 595 CA SER 80 2.861 7.812 63.597 1.00 20.85 C ATOM 596 C SER 80 2.804 6.332 63.947 1.00 21.08 C ATOM 597 O SER 80 3.302 5.505 63.190 1.00 24.54 O ATOM 598 CB SER 80 1.453 8.312 63.265 1.00 20.91 C ATOM 599 OG SER 80 0.891 7.549 62.226 1.00 27.66 O ATOM 600 N GLY 81 2.208 6.002 65.091 1.00 18.76 N ATOM 601 CA GLY 81 2.121 4.612 65.507 1.00 15.13 C ATOM 602 C GLY 81 3.336 4.159 66.278 1.00 16.83 C ATOM 603 O GLY 81 3.964 4.952 66.996 1.00 18.49 O ATOM 604 N PHE 82 3.658 2.876 66.180 1.00 16.00 N ATOM 605 CA PHE 82 4.815 2.299 66.849 1.00 16.53 C ATOM 606 C PHE 82 6.121 2.848 66.266 1.00 18.73 C ATOM 607 O PHE 82 6.184 3.217 65.092 1.00 18.46 O ATOM 608 CB PHE 82 4.826 0.782 66.674 1.00 17.96 C ATOM 609 CG PHE 82 3.733 0.073 67.422 1.00 16.46 C ATOM 610 CD1 PHE 82 3.724 0.049 68.808 1.00 17.12 C ATOM 611 CD2 PHE 82 2.770 -0.650 66.744 1.00 17.86 C ATOM 612 CE1 PHE 82 2.765 -0.689 69.498 1.00 18.15 C ATOM 613 CE2 PHE 82 1.812 -1.391 67.430 1.00 14.38 C ATOM 614 CZ PHE 82 1.815 -1.411 68.801 1.00 12.59 C ATOM 615 N ARG 83 7.157 2.951 67.100 1.00 17.36 N ATOM 616 CA ARG 83 8.460 3.392 66.617 1.00 17.84 C ATOM 617 C ARG 83 9.055 2.231 65.817 1.00 18.88 C ATOM 618 O ARG 83 8.762 1.061 66.102 1.00 17.71 O ATOM 619 CB ARG 83 9.379 3.768 67.779 1.00 14.49 C ATOM 620 CG ARG 83 8.925 5.027 68.510 1.00 17.15 C ATOM 621 CD ARG 83 9.766 5.277 69.747 1.00 16.46 C ATOM 622 NE ARG 83 11.166 5.576 69.438 1.00 18.24 N ATOM 623 CZ ARG 83 12.196 5.250 70.218 1.00 21.04 C ATOM 624 NH1 ARG 83 11.984 4.604 71.359 1.00 18.10 N ATOM 625 NH2 ARG 83 13.435 5.573 69.859 1.00 14.89 N ATOM 626 N ASN 84 9.847 2.550 64.793 1.00 21.13 N ATOM 627 CA ASN 84 10.488 1.544 63.941 1.00 20.75 C ATOM 628 C ASN 84 11.916 1.199 64.412 1.00 21.62 C ATOM 629 O ASN 84 12.287 1.495 65.557 1.00 18.63 O ATOM 630 CB ASN 84 10.476 2.010 62.473 1.00 20.89 C ATOM 631 CG ASN 84 11.127 3.382 62.276 1.00 19.42 C ATOM 632 OD1 ASN 84 12.092 3.724 62.952 1.00 20.91 O ATOM 633 ND2 ASN 84 10.600 4.168 61.331 1.00 20.91 N ATOM 634 N SER 85 12.698 0.579 63.522 1.00 23.35 N ATOM 635 CA SER 85 14.081 0.165 63.811 1.00 23.57 C ATOM 636 C SER 85 15.150 1.056 63.188 1.00 22.91 C ATOM 637 O SER 85 16.344 0.743 63.281 1.00 25.11 O ATOM 638 CB SER 85 14.326 -1.263 63.320 1.00 24.69 C ATOM 639 OG SER 85 13.390 -2.161 63.861 1.00 34.31 O ATOM 640 N ASP 86 14.722 2.128 62.524 1.00 19.93 N ATOM 641 CA ASP 86 15.633 3.064 61.874 1.00 20.46 C ATOM 642 C ASP 86 16.128 4.131 62.846 1.00 22.77 C ATOM 643 O ASP 86 15.331 4.868 63.443 1.00 22.56 O ATOM 644 CB ASP 86 14.945 3.757 60.696 1.00 18.58 C ATOM 645 CG ASP 86 14.517 2.794 59.612 1.00 22.73 C ATOM 646 OD1 ASP 86 15.146 1.721 59.481 1.00 26.46 O ATOM 647 OD2 ASP 86 13.552 3.112 58.884 1.00 23.04 O ATOM 648 N ARG 87 17.446 4.250 62.959 1.00 20.85 N ATOM 649 CA ARG 87 18.049 5.230 63.846 1.00 20.42 C ATOM 650 C ARG 87 19.308 5.808 63.216 1.00 21.35 C ATOM 651 O ARG 87 19.993 5.137 62.451 1.00 21.17 O ATOM 652 CB ARG 87 18.452 4.574 65.176 1.00 22.20 C ATOM 653 CG ARG 87 17.348 3.857 65.934 1.00 22.66 C ATOM 654 CD ARG 87 16.460 4.829 66.698 1.00 22.05 C ATOM 655 NE ARG 87 15.464 4.103 67.484 1.00 22.52 N ATOM 656 CZ ARG 87 14.350 3.575 66.983 1.00 22.36 C ATOM 657 NH1 ARG 87 14.074 3.703 65.690 1.00 18.09 N ATOM 658 NH2 ARG 87 13.534 2.883 67.770 1.00 19.94 N ATOM 659 N ILE 88 19.596 7.062 63.541 1.00 22.01 N ATOM 660 CA ILE 88 20.804 7.724 63.079 1.00 21.13 C ATOM 661 C ILE 88 21.611 7.951 64.360 1.00 21.20 C ATOM 662 O ILE 88 21.066 8.366 65.388 1.00 22.30 O ATOM 663 CB ILE 88 20.508 9.071 62.393 1.00 22.36 C ATOM 664 CG1 ILE 88 21.750 9.557 61.649 1.00 25.13 C ATOM 665 CG2 ILE 88 20.073 10.110 63.424 1.00 24.33 C ATOM 666 CD1 ILE 88 21.458 10.578 60.578 1.00 25.67 C ATOM 667 N LEU 89 22.884 7.582 64.318 1.00 19.66 N ATOM 668 CA LEU 89 23.772 7.725 65.457 1.00 19.32 C ATOM 669 C LEU 89 24.793 8.798 65.141 1.00 19.28 C ATOM 670 O LEU 89 25.389 8.785 64.067 1.00 20.85 O ATOM 671 CB LEU 89 24.501 6.404 65.729 1.00 18.46 C ATOM 672 CG LEU 89 23.738 5.189 66.273 1.00 22.71 C ATOM 673 CD1 LEU 89 23.319 5.466 67.695 1.00 24.47 C ATOM 674 CD2 LEU 89 22.535 4.823 65.406 1.00 18.60 C ATOM 675 N TYR 90 24.982 9.738 66.060 1.00 18.28 N ATOM 676 CA TYR 90 25.960 10.790 65.858 1.00 19.12 C ATOM 677 C TYR 90 26.762 10.985 67.140 1.00 20.54 C ATOM 678 O TYR 90 26.227 10.881 68.247 1.00 20.97 O ATOM 679 CB TYR 90 25.291 12.099 65.401 1.00 19.60 C ATOM 680 CG TYR 90 24.241 12.640 66.349 1.00 21.29 C ATOM 681 CD1 TYR 90 22.956 12.095 66.380 1.00 19.27 C ATOM 682 CD2 TYR 90 24.528 13.713 67.201 1.00 19.15 C ATOM 683 CE1 TYR 90 21.992 12.583 67.247 1.00 19.45 C ATOM 684 CE2 TYR 90 23.567 14.214 68.076 1.00 19.56 C ATOM 685 CZ TYR 90 22.298 13.648 68.083 1.00 22.06 C ATOM 686 OH TYR 90 21.335 14.116 68.953 1.00 24.65 O ATOM 687 N SER 91 28.058 11.217 66.985 1.00 21.73 N ATOM 688 CA SER 91 28.944 11.401 68.125 1.00 21.99 C ATOM 689 C SER 91 29.149 12.872 68.446 1.00 22.63 C ATOM 690 O SER 91 28.796 13.760 67.651 1.00 22.85 O ATOM 691 CB SER 91 30.299 10.748 67.851 1.00 21.02 C ATOM 692 OG SER 91 30.993 11.435 66.826 1.00 21.26 O ATOM 693 N SER 92 29.729 13.119 69.619 1.00 25.06 N ATOM 694 CA SER 92 30.012 14.473 70.078 1.00 26.19 C ATOM 695 C SER 92 30.976 15.168 69.120 1.00 26.66 C ATOM 696 O SER 92 30.935 16.390 68.980 1.00 27.65 O ATOM 697 CB SER 92 30.566 14.459 71.510 1.00 27.10 C ATOM 698 OG SER 92 31.532 13.434 71.692 1.00 31.05 O ATOM 699 N ASP 93 31.830 14.393 68.450 1.00 27.21 N ATOM 700 CA ASP 93 32.765 14.964 67.489 1.00 27.80 C ATOM 701 C ASP 93 32.286 14.843 66.050 1.00 28.98 C ATOM 702 O ASP 93 33.080 14.919 65.116 1.00 32.28 O ATOM 703 CB ASP 93 34.207 14.445 67.662 1.00 28.02 C ATOM 704 CG ASP 93 34.300 12.936 67.700 1.00 27.98 C ATOM 705 OD1 ASP 93 33.314 12.265 68.042 1.00 28.07 O ATOM 706 OD2 ASP 93 35.397 12.410 67.425 1.00 33.20 O ATOM 707 N TRP 94 30.990 14.588 65.886 1.00 28.24 N ATOM 708 CA TRP 94 30.338 14.550 64.573 1.00 26.53 C ATOM 709 C TRP 94 30.516 13.439 63.557 1.00 25.29 C ATOM 710 O TRP 94 30.467 13.693 62.352 1.00 23.52 O ATOM 711 CB TRP 94 30.503 15.917 63.905 1.00 28.92 C ATOM 712 CG TRP 94 30.037 16.964 64.830 1.00 30.35 C ATOM 713 CD1 TRP 94 30.805 17.876 65.494 1.00 29.55 C ATOM 714 CD2 TRP 94 28.723 17.042 65.393 1.00 30.81 C ATOM 715 NE1 TRP 94 30.063 18.495 66.468 1.00 30.66 N ATOM 716 CE2 TRP 94 28.780 18.007 66.432 1.00 30.02 C ATOM 717 CE3 TRP 94 27.509 16.391 65.142 1.00 30.23 C ATOM 718 CZ2 TRP 94 27.671 18.326 67.220 1.00 29.86 C ATOM 719 CZ3 TRP 94 26.410 16.701 65.915 1.00 32.13 C ATOM 720 CH2 TRP 94 26.499 17.666 66.949 1.00 32.90 C ATOM 721 N LEU 95 30.712 12.210 64.013 1.00 23.08 N ATOM 722 CA LEU 95 30.797 11.080 63.080 1.00 23.53 C ATOM 723 C LEU 95 29.329 10.673 62.961 1.00 23.25 C ATOM 724 O LEU 95 28.550 10.898 63.903 1.00 24.71 O ATOM 725 CB LEU 95 31.610 9.939 63.683 1.00 22.90 C ATOM 726 CG LEU 95 33.085 10.164 64.004 1.00 24.37 C ATOM 727 CD1 LEU 95 33.742 8.824 64.342 1.00 20.56 C ATOM 728 CD2 LEU 95 33.785 10.828 62.823 1.00 23.59 C ATOM 729 N ILE 96 28.906 10.162 61.808 1.00 21.65 N ATOM 730 CA ILE 96 27.510 9.762 61.601 1.00 20.06 C ATOM 731 C ILE 96 27.384 8.367 61.047 1.00 21.42 C ATOM 732 O ILE 96 27.956 8.052 59.995 1.00 23.43 O ATOM 733 CB ILE 96 26.818 10.673 60.607 1.00 21.27 C ATOM 734 CG1 ILE 96 27.177 12.093 60.866 1.00 20.30 C ATOM 735 CG2 ILE 96 25.306 10.439 60.651 1.00 19.31 C ATOM 736 CD1 ILE 96 26.672 12.648 62.222 1.00 25.84 C ATOM 737 N TYR 97 26.550 7.578 61.724 1.00 18.83 N ATOM 738 CA TYR 97 26.285 6.203 61.339 1.00 19.00 C ATOM 739 C TYR 97 24.776 6.011 61.262 1.00 21.69 C ATOM 740 O TYR 97 24.011 6.859 61.712 1.00 19.44 O ATOM 741 CB TYR 97 26.902 5.270 62.378 1.00 20.91 C ATOM 742 CG TYR 97 28.411 5.140 62.325 1.00 23.04 C ATOM 743 CD1 TYR 97 29.247 6.199 62.701 1.00 21.93 C ATOM 744 CD2 TYR 97 29.005 3.943 61.900 1.00 25.11 C ATOM 745 CE1 TYR 97 30.642 6.074 62.651 1.00 23.64 C ATOM 746 CE2 TYR 97 30.392 3.802 61.843 1.00 25.48 C ATOM 747 CZ TYR 97 31.203 4.863 62.219 1.00 28.36 C ATOM 748 OH TYR 97 32.567 4.683 62.161 1.00 27.83 O ATOM 749 N LYS 98 24.348 4.921 60.643 1.00 21.16 N ATOM 750 CA LYS 98 22.927 4.625 60.538 1.00 21.28 C ATOM 751 C LYS 98 22.747 3.158 60.871 1.00 22.52 C ATOM 752 O LYS 98 23.691 2.380 60.851 1.00 21.40 O ATOM 753 CB LYS 98 22.396 4.886 59.120 1.00 21.97 C ATOM 754 CG LYS 98 22.765 3.806 58.109 1.00 25.50 C ATOM 755 CD LYS 98 22.235 4.067 56.701 1.00 27.44 C ATOM 756 CE LYS 98 20.881 3.418 56.468 1.00 29.47 C ATOM 757 NZ LYS 98 20.473 3.467 55.039 1.00 31.21 N ATOM 758 N THR 99 21.539 2.812 61.269 1.00 23.92 N ATOM 759 CA THR 99 21.198 1.439 61.553 1.00 24.17 C ATOM 760 C THR 99 19.743 1.309 61.143 1.00 25.61 C ATOM 761 O THR 99 18.972 2.268 61.255 1.00 26.74 O ATOM 762 CB THR 99 21.368 1.074 63.025 1.00 25.17 C ATOM 763 OG1 THR 99 20.984 -0.293 63.207 1.00 27.38 O ATOM 764 CG2 THR 99 20.505 1.956 63.916 1.00 25.81 C ATOM 765 N THR 100 19.399 0.169 60.563 1.00 26.02 N ATOM 766 CA THR 100 18.036 -0.079 60.122 1.00 27.27 C ATOM 767 C THR 100 17.505 -1.333 60.780 1.00 28.11 C ATOM 768 O THR 100 16.388 -1.771 60.492 1.00 29.73 O ATOM 769 CB THR 100 17.962 -0.263 58.602 1.00 29.47 C ATOM 770 OG1 THR 100 18.851 -1.313 58.206 1.00 30.57 O ATOM 771 CG2 THR 100 18.363 1.014 57.888 1.00 29.99 C ATOM 772 N ASP 101 18.310 -1.911 61.663 1.00 28.85 N ATOM 773 CA ASP 101 17.920 -3.122 62.364 1.00 32.40 C ATOM 774 C ASP 101 17.996 -2.993 63.886 1.00 33.32 C ATOM 775 O ASP 101 18.384 -3.926 64.597 1.00 33.24 O ATOM 776 CB ASP 101 18.733 -4.320 61.859 1.00 32.61 C ATOM 777 CG ASP 101 20.237 -4.107 61.962 1.00 36.87 C ATOM 778 OD1 ASP 101 20.685 -3.232 62.741 1.00 36.73 O ATOM 779 OD2 ASP 101 20.979 -4.841 61.271 1.00 37.76 O ATOM 780 N HIS 102 17.658 -1.804 64.371 1.00 34.79 N ATOM 781 CA HIS 102 17.627 -1.538 65.797 1.00 38.18 C ATOM 782 C HIS 102 18.943 -1.847 66.513 1.00 38.18 C ATOM 783 O HIS 102 18.985 -2.641 67.461 1.00 39.66 O ATOM 784 CB HIS 102 16.471 -2.336 66.413 1.00 42.15 C ATOM 785 CG HIS 102 15.927 -1.729 67.677 1.00 48.21 C ATOM 786 ND1 HIS 102 14.707 -2.112 68.197 1.00 52.82 N ATOM 787 CD2 HIS 102 16.436 -0.806 68.504 1.00 51.20 C ATOM 788 CE1 HIS 102 14.499 -1.427 69.317 1.00 55.29 C ATOM 789 NE2 HIS 102 15.523 -0.632 69.526 1.00 52.36 N ATOM 790 N TYR 103 20.017 -1.219 66.042 1.00 37.53 N ATOM 791 CA TYR 103 21.360 -1.347 66.621 1.00 36.26 C ATOM 792 C TYR 103 22.132 -2.658 66.427 1.00 37.56 C ATOM 793 O TYR 103 23.140 -2.877 67.103 1.00 37.86 O ATOM 794 CB TYR 103 21.349 -0.965 68.111 1.00 34.60 C ATOM 795 CG TYR 103 20.599 0.320 68.422 1.00 33.88 C ATOM 796 CD1 TYR 103 21.009 1.543 67.889 1.00 31.66 C ATOM 797 CD2 TYR 103 19.458 0.305 69.228 1.00 30.79 C ATOM 798 CE1 TYR 103 20.305 2.721 68.154 1.00 32.63 C ATOM 799 CE2 TYR 103 18.751 1.473 69.498 1.00 31.32 C ATOM 800 CZ TYR 103 19.176 2.675 68.958 1.00 31.91 C ATOM 801 OH TYR 103 18.487 3.830 69.239 1.00 30.79 O ATOM 802 N GLN 104 21.685 -3.518 65.511 1.00 39.04 N ATOM 803 CA GLN 104 22.399 -4.769 65.254 1.00 40.24 C ATOM 804 C GLN 104 23.655 -4.507 64.415 1.00 37.90 C ATOM 805 O GLN 104 24.739 -4.985 64.736 1.00 38.17 O ATOM 806 CB GLN 104 21.498 -5.788 64.558 1.00 45.76 C ATOM 807 CG GLN 104 20.368 -6.314 65.420 1.00 54.13 C ATOM 808 CD GLN 104 20.870 -6.986 66.685 1.00 59.88 C ATOM 809 OE1 GLN 104 20.277 -6.839 67.761 1.00 62.21 O ATOM 810 NE2 GLN 104 21.975 -7.723 66.568 1.00 62.90 N ATOM 811 N THR 105 23.507 -3.732 63.349 1.00 35.21 N ATOM 812 CA THR 105 24.637 -3.400 62.495 1.00 34.23 C ATOM 813 C THR 105 24.611 -1.912 62.182 1.00 33.31 C ATOM 814 O THR 105 23.552 -1.283 62.226 1.00 32.02 O ATOM 815 CB THR 105 24.619 -4.202 61.174 1.00 37.03 C ATOM 816 OG1 THR 105 23.396 -3.952 60.473 1.00 37.10 O ATOM 817 CG2 THR 105 24.759 -5.705 61.452 1.00 38.44 C ATOM 818 N PHE 106 25.781 -1.357 61.878 1.00 30.61 N ATOM 819 CA PHE 106 25.907 0.062 61.565 1.00 31.01 C ATOM 820 C PHE 106 26.702 0.293 60.273 1.00 31.93 C ATOM 821 O PHE 106 27.582 -0.497 59.917 1.00 34.39 O ATOM 822 CB PHE 106 26.603 0.799 62.727 1.00 29.16 C ATOM 823 CG PHE 106 25.913 0.635 64.060 1.00 28.22 C ATOM 824 CD1 PHE 106 26.217 -0.443 64.889 1.00 25.69 C ATOM 825 CD2 PHE 106 24.945 1.548 64.484 1.00 25.05 C ATOM 826 CE1 PHE 106 25.569 -0.604 66.109 1.00 25.24 C ATOM 827 CE2 PHE 106 24.297 1.389 65.704 1.00 21.94 C ATOM 828 CZ PHE 106 24.606 0.315 66.512 1.00 23.33 C ATOM 829 N THR 107 26.394 1.392 59.591 1.00 28.99 N ATOM 830 CA THR 107 27.066 1.786 58.352 1.00 28.18 C ATOM 831 C THR 107 27.447 3.260 58.505 1.00 26.70 C ATOM 832 O THR 107 26.608 4.067 58.901 1.00 26.68 O ATOM 833 CB THR 107 26.105 1.657 57.145 1.00 28.81 C ATOM 834 OG1 THR 107 25.669 0.299 57.023 1.00 34.17 O ATOM 835 CG2 THR 107 26.787 2.096 55.855 1.00 29.69 C ATOM 836 N LYS 108 28.704 3.612 58.245 1.00 23.33 N ATOM 837 CA LYS 108 29.131 5.013 58.347 1.00 23.18 C ATOM 838 C LYS 108 28.588 5.713 57.095 1.00 23.60 C ATOM 839 O LYS 108 28.796 5.231 55.984 1.00 23.39 O ATOM 840 CB LYS 108 30.656 5.088 58.416 1.00 22.54 C ATOM 841 CG LYS 108 31.253 6.465 58.692 1.00 19.84 C ATOM 842 CD LYS 108 32.762 6.318 58.972 1.00 20.81 C ATOM 843 CE LYS 108 33.419 7.632 59.305 1.00 22.04 C ATOM 844 NZ LYS 108 33.542 8.489 58.110 1.00 28.71 N ATOM 845 N ILE 109 27.856 6.813 57.273 1.00 23.42 N ATOM 846 CA ILE 109 27.251 7.516 56.135 1.00 22.90 C ATOM 847 C ILE 109 27.737 8.919 55.794 1.00 22.95 C ATOM 848 O ILE 109 27.180 9.568 54.909 1.00 22.62 O ATOM 849 CB ILE 109 25.706 7.549 56.236 1.00 22.31 C ATOM 850 CG1 ILE 109 25.263 8.187 57.559 1.00 22.43 C ATOM 851 CG2 ILE 109 25.138 6.145 56.043 1.00 21.16 C ATOM 852 CD1 ILE 109 23.753 8.378 57.676 1.00 19.84 C ATOM 853 N ARG 110 28.731 9.407 56.530 1.00 23.83 N ATOM 854 CA ARG 110 29.318 10.725 56.273 1.00 25.42 C ATOM 855 C ARG 110 30.824 10.653 56.504 1.00 24.52 C ATOM 856 O ARG 110 31.288 9.702 57.175 1.00 24.90 O ATOM 857 CB ARG 110 28.702 11.823 57.162 1.00 22.58 C ATOM 858 CG ARG 110 27.319 12.294 56.731 1.00 22.40 C ATOM 859 CD ARG 110 27.337 12.837 55.315 1.00 23.92 C ATOM 860 NE ARG 110 26.012 13.250 54.851 1.00 26.24 N ATOM 861 CZ ARG 110 25.099 12.428 54.329 1.00 25.58 C ATOM 862 NH1 ARG 110 25.350 11.131 54.204 1.00 26.68 N ATOM 863 NH2 ARG 110 23.946 12.915 53.883 1.00 26.38 N ATOM 864 OXT ARG 110 31.526 11.555 56.021 1.00 24.93 O TER 865 ARG 110 HETATM 866 S SO4 111 0.033 0.057 75.335 0.33 19.24 S HETATM 867 O1 SO4 111 0.089 0.049 76.798 0.33 17.79 O HETATM 868 O2 SO4 111 0.614 1.328 74.910 0.33 21.96 O HETATM 869 O3 SO4 111 -1.397 -0.025 74.878 0.33 22.18 O HETATM 870 O4 SO4 111 0.829 -1.074 74.812 0.33 22.13 O HETATM 871 S SO4 112 15.409 2.878 71.480 1.00 48.78 S HETATM 872 O1 SO4 112 14.501 3.513 72.456 1.00 54.16 O HETATM 873 O2 SO4 112 15.809 3.866 70.459 1.00 51.14 O HETATM 874 O3 SO4 112 14.706 1.768 70.819 1.00 49.61 O HETATM 875 O4 SO4 112 16.604 2.383 72.192 1.00 49.35 O HETATM 876 O HOH 113 9.601 8.747 66.997 1.00 16.05 O HETATM 877 O HOH 114 10.733 5.325 64.864 1.00 17.12 O HETATM 878 O HOH 115 -5.472 2.853 71.904 1.00 19.01 O HETATM 879 O HOH 116 -14.662 4.945 62.324 1.00 19.64 O HETATM 880 O HOH 117 -16.922 0.955 62.765 1.00 20.47 O HETATM 881 O HOH 118 1.324 3.181 76.467 1.00 21.19 O HETATM 882 O HOH 119 -1.406 7.189 71.902 1.00 21.35 O HETATM 883 O HOH 120 7.627 -0.151 68.406 1.00 22.88 O HETATM 884 O HOH 121 -10.866 1.347 82.178 1.00 23.60 O HETATM 885 O HOH 122 7.032 2.079 70.058 1.00 25.97 O HETATM 886 O HOH 123 -8.062 1.641 69.237 1.00 26.28 O HETATM 887 O HOH 124 -15.513 15.155 54.333 1.00 27.07 O HETATM 888 O HOH 125 -17.858 -7.324 85.046 1.00 27.20 O HETATM 889 O HOH 126 21.416 -1.580 59.611 1.00 28.08 O HETATM 890 O HOH 127 -39.099 10.152 59.850 1.00 28.39 O HETATM 891 O HOH 128 -22.151 5.928 70.774 1.00 29.10 O HETATM 892 O HOH 129 7.390 12.765 61.102 1.00 29.10 O HETATM 893 O HOH 130 15.524 7.951 55.411 1.00 29.13 O HETATM 894 O HOH 131 19.441 10.674 77.200 1.00 29.83 O HETATM 895 O HOH 132 2.053 1.479 64.388 1.00 31.54 O HETATM 896 O HOH 133 30.312 3.365 54.678 1.00 32.07 O HETATM 897 O HOH 134 27.900 7.330 74.497 1.00 32.13 O HETATM 898 O HOH 135 -25.406 7.149 55.723 1.00 32.41 O HETATM 899 O HOH 136 30.713 1.672 57.757 1.00 32.61 O HETATM 900 O HOH 137 20.126 15.725 73.078 1.00 33.00 O HETATM 901 O HOH 138 -14.640 9.684 69.012 1.00 33.63 O HETATM 902 O HOH 139 -9.110 -3.428 81.440 1.00 33.64 O HETATM 903 O HOH 140 26.253 13.092 70.271 1.00 34.43 O HETATM 904 O HOH 141 -17.125 10.804 53.266 1.00 34.60 O HETATM 905 O HOH 142 -33.203 7.053 65.572 1.00 35.91 O HETATM 906 O HOH 143 -8.945 3.874 78.088 1.00 37.21 O HETATM 907 O HOH 144 -25.796 8.154 68.971 1.00 37.34 O HETATM 908 O HOH 145 31.507 4.455 72.879 1.00 37.58 O HETATM 909 O HOH 146 6.180 5.588 61.519 1.00 37.85 O HETATM 910 O HOH 147 7.272 -0.737 64.314 1.00 38.27 O HETATM 911 O HOH 148 24.080 0.351 73.886 1.00 38.37 O HETATM 912 O HOH 149 5.450 12.606 63.235 1.00 38.64 O HETATM 913 O HOH 150 -24.092 3.801 68.474 1.00 38.74 O HETATM 914 O HOH 151 -36.459 2.359 61.503 1.00 40.13 O HETATM 915 O HOH 152 -26.279 16.231 51.735 1.00 41.75 O HETATM 916 O HOH 153 -2.850 14.074 66.622 1.00 41.91 O HETATM 917 O HOH 154 28.477 15.777 74.188 1.00 42.22 O HETATM 918 O HOH 155 16.077 9.676 71.384 1.00 42.35 O HETATM 919 O HOH 156 -18.978 8.121 52.131 1.00 42.98 O HETATM 920 O HOH 157 31.090 13.388 54.183 0.50 43.60 O HETATM 921 O HOH 158 -19.726 -2.320 76.595 1.00 43.63 O HETATM 922 O HOH 159 -28.798 3.687 65.239 1.00 44.29 O HETATM 923 O HOH 160 8.948 3.237 59.386 1.00 44.48 O HETATM 924 O HOH 161 -0.875 4.752 63.523 1.00 44.60 O HETATM 925 O HOH 162 21.848 -1.099 72.295 1.00 45.04 O HETATM 926 O HOH 163 -21.664 3.325 79.792 1.00 45.24 O HETATM 927 O HOH 164 -24.434 8.866 52.633 1.00 45.52 O HETATM 928 O HOH 165 21.748 16.389 70.022 1.00 45.67 O HETATM 929 O HOH 166 -31.839 4.448 64.964 1.00 46.23 O HETATM 930 O HOH 167 27.498 -0.953 70.092 1.00 46.93 O HETATM 931 O HOH 168 21.711 3.316 74.717 1.00 47.16 O HETATM 932 O HOH 169 -13.357 7.085 82.269 1.00 47.64 O HETATM 933 O HOH 170 -12.427 14.619 73.081 1.00 47.65 O HETATM 934 O HOH 171 -20.953 6.177 77.960 1.00 48.71 O HETATM 935 O HOH 172 -26.799 20.828 59.649 1.00 48.83 O HETATM 936 O HOH 173 8.409 19.584 74.202 1.00 49.08 O HETATM 937 O HOH 174 -13.813 3.995 55.944 1.00 49.10 O HETATM 938 O HOH 175 -5.111 5.110 78.805 1.00 49.91 O HETATM 939 O HOH 176 33.294 6.959 72.755 1.00 49.95 O HETATM 940 O HOH 177 24.818 -2.492 69.356 1.00 50.63 O HETATM 941 O HOH 178 -20.402 -0.982 82.555 1.00 50.65 O HETATM 942 O HOH 179 39.846 16.072 70.615 1.00 51.13 O HETATM 943 O HOH 180 -0.660 2.914 84.209 1.00 51.41 O HETATM 944 O HOH 181 10.303 -1.945 65.853 1.00 51.59 O HETATM 945 O HOH 182 0.779 9.428 73.549 1.00 52.30 O HETATM 946 O HOH 183 -28.078 8.929 71.774 1.00 52.44 O HETATM 947 O HOH 184 26.801 15.723 69.320 1.00 52.45 O HETATM 948 O HOH 185 -39.642 0.423 60.374 1.00 52.54 O HETATM 949 O HOH 186 -41.963 -2.942 62.719 1.00 53.48 O HETATM 950 O HOH 187 20.721 21.619 73.564 1.00 53.62 O HETATM 951 O HOH 188 4.712 12.227 66.343 1.00 53.77 O HETATM 952 O HOH 189 -7.367 -6.681 74.219 1.00 53.83 O HETATM 953 O HOH 190 -27.278 12.989 70.586 1.00 53.89 O HETATM 954 O HOH 191 -17.747 -7.149 71.598 1.00 54.35 O HETATM 955 O HOH 192 15.228 -4.966 63.941 1.00 54.51 O HETATM 956 O HOH 193 17.516 18.682 70.127 1.00 54.76 O HETATM 957 O HOH 194 17.575 3.365 54.108 1.00 54.94 O HETATM 958 O HOH 195 23.370 7.549 79.955 1.00 55.35 O HETATM 959 O HOH 196 -7.168 6.621 71.907 1.00 55.36 O HETATM 960 O HOH 197 -12.877 -8.071 83.531 1.00 55.60 O HETATM 961 O HOH 198 27.609 11.256 79.135 1.00 55.81 O HETATM 962 O HOH 199 15.310 2.319 55.865 1.00 55.95 O HETATM 963 O HOH 200 -23.539 3.771 72.488 1.00 56.20 O HETATM 964 O HOH 201 -26.907 1.158 62.337 1.00 56.53 O HETATM 965 O HOH 202 -14.069 -8.283 75.809 1.00 56.65 O HETATM 966 O HOH 203 -27.654 9.014 51.862 1.00 56.85 O HETATM 967 O HOH 204 17.373 -7.142 64.295 1.00 56.92 O HETATM 968 O HOH 205 33.979 0.640 70.238 1.00 57.52 O HETATM 969 O HOH 206 3.468 19.060 68.007 1.00 57.81 O HETATM 970 O HOH 207 -21.835 -9.422 86.203 1.00 58.28 O HETATM 971 O HOH 208 16.115 -5.108 68.622 1.00 58.45 O HETATM 972 O HOH 209 19.392 5.458 52.085 1.00 58.53 O HETATM 973 O HOH 210 -28.462 20.724 57.335 1.00 58.58 O HETATM 974 O HOH 211 -27.333 16.655 48.814 1.00 58.83 O HETATM 975 O HOH 212 -11.378 17.455 73.629 1.00 59.30 O HETATM 976 O HOH 213 31.218 23.930 62.016 1.00 59.35 O HETATM 977 O HOH 214 6.021 19.756 71.794 1.00 59.83 O CONECT 866 867 868 869 870 CONECT 867 866 CONECT 868 866 CONECT 869 866 CONECT 870 866 CONECT 871 872 873 874 875 CONECT 872 871 CONECT 873 871 CONECT 874 871 CONECT 875 871 MASTER 332 0 2 3 4 0 0 6 976 1 10 9 END