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*** PMVK A133V ***elNémo ID: 2307261521081387594Job options:ID = 2307261521081387594 JOBID = PMVK A133V 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 PMVK A133V HEADER TRANSFERASE 07-MAR-08 3CH4 TITLE THE CRYSTAL STRUCTURE OF HUMAN PHOSPHOMAVELONATE KINASE AT TITLE 2 1.8 A RESOLUTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: PHOSPHOMEVALONATE KINASE; COMPND 3 CHAIN: B; COMPND 4 SYNONYM: PMKASE; COMPND 5 EC: 2.7.4.2; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: ROSETTA (DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET-22B(+) KEYWDS PARALLEL BETA-SHEET WITH THE STRAND ORDER 23145, WALKER A KEYWDS 2 MOTIF, CHOLESTEROL BIOSYNTHESIS, KINASE, LIPID SYNTHESIS, KEYWDS 3 PEROXISOME, STEROID BIOSYNTHESIS, STEROL BIOSYNTHESIS, KEYWDS 4 TRANSFERASE EXPDTA X-RAY DIFFRACTION AUTHOR D.-C.LIANG,Q.CHANG,X.-X.YAN,S.-Y.GU REVDAT 3 24-FEB-09 3CH4 1 VERSN REVDAT 2 26-AUG-08 3CH4 1 JRNL REMARK REVDAT 1 29-JUL-08 3CH4 0 JRNL AUTH Q.CHANG,X.-X.YAN,S.-Y.GU,J.-F.LIU,D.-C.LIANG JRNL TITL CRYSTAL STRUCTURE OF HUMAN PHOSPHOMAVELONATE JRNL TITL 2 KINASE AT 1.8 A RESOLUTION JRNL REF PROTEINS V. 73 254 2008 JRNL REFN ISSN 0887-3585 JRNL PMID 18618710 JRNL DOI 10.1002/PROT.22151 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.76 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.76 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 3.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 16987 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) : 0.199 REMARK 3 FREE R VALUE : 0.221 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : 1698 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.76 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.80 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 98.00 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.1990 REMARK 3 BIN FREE R VALUE : 0.2210 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : 1698 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.010 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1515 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 10 REMARK 3 SOLVENT ATOMS : 164 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 17.00 REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL 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) : 0.005 REMARK 3 BOND ANGLES (DEGREES) : 1.52 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 23.18 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.85 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 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : 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 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 3CH4 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 12-MAR-08. REMARK 100 THE RCSB ID CODE IS RCSB046769. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 29-NOV-07 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.6 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : GRAPHITE REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MAR SCANNER 345 MM PLATE REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 16987 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.760 REMARK 200 RESOLUTION RANGE LOW (A) : 8.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.4 REMARK 200 DATA REDUNDANCY : 9.800 REMARK 200 R MERGE (I) : 0.05500 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 16.9000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.76 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.80 REMARK 200 COMPLETENESS FOR SHELL (%) : 98.2 REMARK 200 DATA REDUNDANCY IN SHELL : 9.00 REMARK 200 R MERGE FOR SHELL (I) : 0.44200 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 5.400 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD REMARK 200 SOFTWARE USED: SHARP REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 34.77 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.89 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 15-20% (V/V) PENTAERYTHRITOL REMARK 280 ETHOXYLATE (15/4 EO/OH), 15% (V/V) MPD, 0.1M HEPES, PH 7.6, REMARK 280 VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 288K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z REMARK 290 4555 -X+1/2,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 46.57000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 16.31250 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 46.57000 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 16.31250 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 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 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 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: B 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 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 ARG B 61 REMARK 465 LEU B 62 REMARK 465 LEU B 63 REMARK 465 ASP B 64 REMARK 465 THR B 65 REMARK 465 SER B 66 REMARK 465 THR B 67 REMARK 465 LEU B 194 REMARK 465 HIS B 195 REMARK 465 HIS B 196 REMARK 465 HIS B 197 REMARK 465 HIS B 198 REMARK 465 HIS B 199 REMARK 465 HIS B 200 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 PHE B 59 N - CA - C ANGL. DEV. = 20.8 DEGREES REMARK 500 LYS B 69 CB - CA - C ANGL. DEV. = -13.0 DEGREES REMARK 500 ALA B 71 N - CA - C ANGL. DEV. = -17.7 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 GLU B 54 10.39 -68.83 REMARK 500 LEU B 57 -155.70 -121.02 REMARK 500 ASN B 58 114.06 174.40 REMARK 500 PHE B 59 -166.29 68.30 REMARK 500 LYS B 69 3.90 87.37 REMARK 500 GLU B 70 34.42 -157.82 REMARK 500 VAL B 149 -63.65 -129.22 REMARK 500 ASP B 163 41.85 -83.04 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 201 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 202 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MPD B 203 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MPD B 204 DBREF 3CH4 B 1 192 UNP Q15126 PMVK_HUMAN 1 192 SEQADV 3CH4 GLY B -1 UNP Q15126 EXPRESSION TAG SEQADV 3CH4 SER B 0 UNP Q15126 EXPRESSION TAG SEQADV 3CH4 LYS B 193 UNP Q15126 EXPRESSION TAG SEQADV 3CH4 LEU B 194 UNP Q15126 EXPRESSION TAG SEQADV 3CH4 HIS B 195 UNP Q15126 EXPRESSION TAG SEQADV 3CH4 HIS B 196 UNP Q15126 EXPRESSION TAG SEQADV 3CH4 HIS B 197 UNP Q15126 EXPRESSION TAG SEQADV 3CH4 HIS B 198 UNP Q15126 EXPRESSION TAG SEQADV 3CH4 HIS B 199 UNP Q15126 EXPRESSION TAG SEQADV 3CH4 HIS B 200 UNP Q15126 EXPRESSION TAG SEQRES 1 B 202 GLY SER MET ALA PRO LEU GLY GLY ALA PRO ARG LEU VAL SEQRES 2 B 202 LEU LEU PHE SER GLY LYS ARG LYS SER GLY LYS ASP PHE SEQRES 3 B 202 VAL THR GLU ALA LEU GLN SER ARG LEU GLY ALA ASP VAL SEQRES 4 B 202 CYS ALA VAL LEU ARG LEU SER GLY PRO LEU LYS GLU GLN SEQRES 5 B 202 TYR ALA GLN GLU HIS GLY LEU ASN PHE GLN ARG LEU LEU SEQRES 6 B 202 ASP THR SER THR TYR LYS GLU ALA PHE ARG LYS ASP MET SEQRES 7 B 202 ILE ARG TRP GLY GLU GLU LYS ARG GLN ALA ASP PRO GLY SEQRES 8 B 202 PHE PHE CYS ARG LYS ILE VAL GLU GLY ILE SER GLN PRO SEQRES 9 B 202 ILE TRP LEU VAL SER ASP THR ARG ARG VAL SER ASP ILE SEQRES 10 B 202 GLN TRP PHE ARG GLU ALA TYR GLY ALA VAL THR GLN THR SEQRES 11 B 202 VAL ARG VAL VAL ALA LEU GLU GLN SER ARG GLN GLN ARG SEQRES 12 B 202 GLY TRP VAL PHE THR PRO GLY VAL ASP ASP ALA GLU SER SEQRES 13 B 202 GLU CYS GLY LEU ASP ASN PHE GLY ASP PHE ASP TRP VAL SEQRES 14 B 202 ILE GLU ASN HIS GLY VAL GLU GLN ARG LEU GLU GLU GLN SEQRES 15 B 202 LEU GLU ASN LEU ILE GLU PHE ILE ARG SER ARG LEU LYS SEQRES 16 B 202 LEU HIS HIS HIS HIS HIS HIS HET SO4 B 201 5 HET SO4 B 202 5 HET MPD B 203 8 HET MPD B 204 8 HETNAM SO4 SULFATE ION HETNAM MPD (4S)-2-METHYL-2,4-PENTANEDIOL FORMUL 2 SO4 2(O4 S 2-) FORMUL 4 MPD 2(C6 H14 O2) FORMUL 6 HOH *148(H2 O) HELIX 1 1 GLY B 21 GLY B 34 1 14 HELIX 2 2 LEU B 43 GLU B 54 1 12 HELIX 3 3 ALA B 71 ASP B 87 1 17 HELIX 4 4 PHE B 91 VAL B 96 1 6 HELIX 5 5 ARG B 111 GLY B 123 1 13 HELIX 6 6 LEU B 134 ARG B 141 1 8 HELIX 7 7 ALA B 152 GLY B 157 1 6 HELIX 8 8 VAL B 173 SER B 190 1 18 SHEET 1 1 1 LEU B 10 GLY B 16 0 SHEET 2 2 1 CYS B 38 LEU B 41 0 SHEET 3 3 1 ILE B 103 VAL B 106 0 SHEET 4 4 1 THR B 126 VAL B 133 0 SHEET 5 5 1 TRP B 166 ASN B 170 0 SITE 1 AC1 12 LYS B 19 SER B 20 GLY B 21 LYS B 22 SITE 2 AC1 12 ASP B 23 PHE B 24 ARG B 141 GLU B 169 SITE 3 AC1 12 HIS B 171 HOH B 207 HOH B 229 HOH B 247 SITE 1 AC2 9 LYS B 19 ARG B 141 HIS B 171 ARG B 176 SITE 2 AC2 9 GLN B 180 HOH B 253 HOH B 285 HOH B 326 SITE 3 AC2 9 HOH B 330 SITE 1 AC3 5 ASN B 170 GLY B 172 GLU B 174 HOH B 236 SITE 2 AC3 5 HOH B 252 SITE 1 AC4 6 GLN B 140 GLY B 142 TRP B 166 ILE B 168 SITE 2 AC4 6 ASN B 183 HOH B 285 CRYST1 93.140 32.625 61.786 90.00 111.01 90.00 C 1 2 1 4 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 0.010737 0.000000 0.004124 0.00000 SCALE2 0.000000 0.030651 0.000000 0.00000 SCALE3 0.000000 0.000000 0.017338 0.00000 ATOM 1 N GLY B -1 24.374 -3.301 -5.309 1.00 35.17 N ATOM 2 CA GLY B -1 25.743 -3.566 -5.869 1.00 35.65 C ATOM 3 C GLY B -1 26.726 -2.846 -4.980 1.00 33.54 C ATOM 4 O GLY B -1 27.235 -3.417 -4.017 1.00 34.71 O ATOM 5 N SER B 0 27.017 -1.597 -5.323 1.00 32.35 N ATOM 6 CA SER B 0 27.873 -0.767 -4.485 1.00 29.35 C ATOM 7 C SER B 0 26.766 -0.170 -3.628 1.00 25.34 C ATOM 8 O SER B 0 26.080 0.759 -4.044 1.00 23.02 O ATOM 9 CB SER B 0 28.557 0.323 -5.302 1.00 30.14 C ATOM 10 OG SER B 0 29.227 1.226 -4.438 1.00 34.80 O ATOM 11 N MET B 1 26.583 -0.734 -2.442 1.00 23.06 N ATOM 12 CA MET B 1 25.501 -0.338 -1.545 1.00 19.11 C ATOM 13 C MET B 1 25.396 1.094 -1.045 1.00 18.39 C ATOM 14 O MET B 1 24.298 1.648 -1.014 1.00 15.71 O ATOM 15 CB MET B 1 25.476 -1.299 -0.360 1.00 18.30 C ATOM 16 CG MET B 1 25.303 -2.740 -0.801 1.00 19.30 C ATOM 17 SD MET B 1 25.209 -3.906 0.555 1.00 18.11 S ATOM 18 CE MET B 1 23.609 -3.446 1.280 1.00 19.06 C ATOM 19 N ALA B 2 26.515 1.690 -0.642 1.00 16.59 N ATOM 20 CA ALA B 2 26.496 3.059 -0.136 1.00 17.18 C ATOM 21 C ALA B 2 27.704 3.832 -0.649 1.00 18.20 C ATOM 22 O ALA B 2 28.670 4.042 0.079 1.00 17.87 O ATOM 23 CB ALA B 2 26.497 3.046 1.384 1.00 18.47 C ATOM 24 N PRO B 3 27.654 4.288 -1.910 1.00 20.21 N ATOM 25 CA PRO B 3 28.763 5.039 -2.514 1.00 21.56 C ATOM 26 C PRO B 3 29.210 6.322 -1.807 1.00 21.33 C ATOM 27 O PRO B 3 30.389 6.665 -1.841 1.00 22.21 O ATOM 28 CB PRO B 3 28.263 5.303 -3.934 1.00 21.58 C ATOM 29 CG PRO B 3 26.779 5.370 -3.764 1.00 21.96 C ATOM 30 CD PRO B 3 26.515 4.205 -2.841 1.00 20.78 C ATOM 31 N LEU B 4 28.286 7.029 -1.165 1.00 20.94 N ATOM 32 CA LEU B 4 28.632 8.280 -0.489 1.00 19.32 C ATOM 33 C LEU B 4 28.952 8.113 0.996 1.00 19.84 C ATOM 34 O LEU B 4 29.250 9.090 1.681 1.00 18.36 O ATOM 35 CB LEU B 4 27.484 9.283 -0.636 1.00 19.93 C ATOM 36 CG LEU B 4 27.016 9.660 -2.045 1.00 19.38 C ATOM 37 CD1 LEU B 4 25.720 10.451 -1.942 1.00 18.61 C ATOM 38 CD2 LEU B 4 28.092 10.466 -2.758 1.00 17.82 C ATOM 39 N GLY B 5 28.892 6.883 1.493 1.00 20.03 N ATOM 40 CA GLY B 5 29.155 6.658 2.904 1.00 22.95 C ATOM 41 C GLY B 5 30.617 6.572 3.295 1.00 25.72 C ATOM 42 O GLY B 5 31.449 6.090 2.529 1.00 26.45 O ATOM 43 N GLY B 6 30.936 7.056 4.491 1.00 26.64 N ATOM 44 CA GLY B 6 32.308 6.984 4.958 1.00 26.56 C ATOM 45 C GLY B 6 32.508 5.581 5.493 1.00 26.16 C ATOM 46 O GLY B 6 31.805 4.655 5.086 1.00 28.68 O ATOM 47 N ALA B 7 33.461 5.395 6.394 1.00 23.25 N ATOM 48 CA ALA B 7 33.650 4.074 6.956 1.00 22.67 C ATOM 49 C ALA B 7 33.897 4.206 8.452 1.00 20.55 C ATOM 50 O ALA B 7 35.020 4.335 8.934 1.00 19.98 O ATOM 51 CB ALA B 7 34.772 3.336 6.252 1.00 24.47 C ATOM 52 N PRO B 8 32.802 4.189 9.209 1.00 16.67 N ATOM 53 CA PRO B 8 32.726 4.303 10.662 1.00 15.49 C ATOM 54 C PRO B 8 33.409 3.152 11.382 1.00 14.55 C ATOM 55 O PRO B 8 33.637 2.088 10.804 1.00 14.32 O ATOM 56 CB PRO B 8 31.226 4.315 10.907 1.00 13.71 C ATOM 57 CG PRO B 8 30.745 3.347 9.883 1.00 14.92 C ATOM 58 CD PRO B 8 31.495 3.801 8.651 1.00 17.07 C ATOM 59 N ARG B 9 33.736 3.377 12.648 1.00 14.83 N ATOM 60 CA ARG B 9 34.364 2.352 13.466 1.00 15.86 C ATOM 61 C ARG B 9 33.251 1.576 14.155 1.00 13.78 C ATOM 62 O ARG B 9 33.442 0.443 14.584 1.00 10.49 O ATOM 63 CB ARG B 9 35.283 2.991 14.511 1.00 19.87 C ATOM 64 CG ARG B 9 36.502 3.689 13.907 1.00 25.32 C ATOM 65 CD ARG B 9 37.270 4.482 14.954 1.00 31.77 C ATOM 66 NE ARG B 9 38.039 3.635 15.860 1.00 37.08 N ATOM 67 CZ ARG B 9 39.337 3.375 15.723 1.00 38.37 C ATOM 68 NH1 ARG B 9 40.021 3.898 14.713 1.00 40.41 N ATOM 69 NH2 ARG B 9 39.952 2.593 16.599 1.00 38.47 N ATOM 70 N LEU B 10 32.077 2.196 14.235 1.00 12.91 N ATOM 71 CA LEU B 10 30.924 1.575 14.876 1.00 11.44 C ATOM 72 C LEU B 10 29.621 2.214 14.407 1.00 11.46 C ATOM 73 O LEU B 10 29.505 3.436 14.347 1.00 11.57 O ATOM 74 CB LEU B 10 31.025 1.721 16.400 1.00 12.38 C ATOM 75 CG LEU B 10 29.815 1.223 17.201 1.00 10.85 C ATOM 76 CD1 LEU B 10 29.691 -0.280 17.041 1.00 11.46 C ATOM 77 CD2 LEU B 10 29.974 1.591 18.671 1.00 12.31 C ATOM 78 N VAL B 11 28.646 1.378 14.073 1.00 10.55 N ATOM 79 CA VAL B 11 27.343 1.861 13.649 1.00 10.72 C ATOM 80 C VAL B 11 26.309 1.219 14.562 1.00 10.33 C ATOM 81 O VAL B 11 26.126 0.001 14.529 1.00 10.84 O ATOM 82 CB VAL B 11 27.028 1.463 12.196 1.00 13.20 C ATOM 83 CG1 VAL B 11 25.626 1.924 11.827 1.00 13.96 C ATOM 84 CG2 VAL B 11 28.049 2.079 11.255 1.00 11.84 C ATOM 85 N LEU B 12 25.657 2.039 15.385 1.00 10.82 N ATOM 86 CA LEU B 12 24.633 1.562 16.307 1.00 11.84 C ATOM 87 C LEU B 12 23.257 1.784 15.693 1.00 9.09 C ATOM 88 O LEU B 12 22.889 2.915 15.379 1.00 10.45 O ATOM 89 CB LEU B 12 24.730 2.308 17.642 1.00 14.45 C ATOM 90 CG LEU B 12 25.987 1.994 18.460 1.00 17.40 C ATOM 91 CD1 LEU B 12 26.011 2.829 19.732 1.00 18.75 C ATOM 92 CD2 LEU B 12 26.009 0.510 18.789 1.00 18.11 C ATOM 93 N LEU B 13 22.514 0.697 15.510 1.00 10.03 N ATOM 94 CA LEU B 13 21.181 0.764 14.922 1.00 10.13 C ATOM 95 C LEU B 13 20.135 0.672 16.013 1.00 8.90 C ATOM 96 O LEU B 13 19.849 -0.413 16.513 1.00 10.26 O ATOM 97 CB LEU B 13 20.981 -0.383 13.936 1.00 11.53 C ATOM 98 CG LEU B 13 22.028 -0.479 12.823 1.00 13.47 C ATOM 99 CD1 LEU B 13 21.737 -1.701 11.976 1.00 14.48 C ATOM 100 CD2 LEU B 13 22.010 0.788 11.968 1.00 13.05 C ATOM 101 N PHE B 14 19.562 1.816 16.366 1.00 9.17 N ATOM 102 CA PHE B 14 18.545 1.885 17.404 1.00 9.96 C ATOM 103 C PHE B 14 17.139 1.740 16.853 1.00 9.04 C ATOM 104 O PHE B 14 16.860 2.106 15.715 1.00 7.55 O ATOM 105 CB PHE B 14 18.647 3.221 18.144 1.00 9.34 C ATOM 106 CG PHE B 14 19.700 3.242 19.207 1.00 14.08 C ATOM 107 CD1 PHE B 14 19.395 2.857 20.510 1.00 12.21 C ATOM 108 CD2 PHE B 14 21.006 3.621 18.905 1.00 16.57 C ATOM 109 CE1 PHE B 14 20.378 2.850 21.497 1.00 15.76 C ATOM 110 CE2 PHE B 14 21.996 3.614 19.890 1.00 14.83 C ATOM 111 CZ PHE B 14 21.678 3.229 21.183 1.00 13.97 C ATOM 112 N SER B 15 16.255 1.197 17.679 1.00 9.11 N ATOM 113 CA SER B 15 14.859 1.041 17.314 1.00 9.90 C ATOM 114 C SER B 15 14.105 0.933 18.629 1.00 10.95 C ATOM 115 O SER B 15 14.702 0.641 19.672 1.00 9.49 O ATOM 116 CB SER B 15 14.632 -0.218 16.472 1.00 8.58 C ATOM 117 OG SER B 15 14.896 -1.402 17.206 1.00 10.20 O ATOM 118 N GLY B 16 12.801 1.191 18.578 1.00 11.98 N ATOM 119 CA GLY B 16 11.988 1.111 19.777 1.00 10.49 C ATOM 120 C GLY B 16 10.636 1.759 19.560 1.00 10.38 C ATOM 121 O GLY B 16 10.520 2.737 18.821 1.00 8.64 O ATOM 122 N LYS B 17 9.608 1.202 20.188 1.00 10.33 N ATOM 123 CA LYS B 17 8.260 1.741 20.070 1.00 9.97 C ATOM 124 C LYS B 17 8.189 3.127 20.704 1.00 9.77 C ATOM 125 O LYS B 17 8.989 3.460 21.582 1.00 10.23 O ATOM 126 CB LYS B 17 7.262 0.802 20.749 1.00 9.55 C ATOM 127 CG LYS B 17 7.093 -0.535 20.039 1.00 9.85 C ATOM 128 CD LYS B 17 6.159 -1.458 20.808 1.00 10.84 C ATOM 129 CE LYS B 17 5.956 -2.784 20.082 1.00 10.80 C ATOM 130 NZ LYS B 17 5.248 -2.592 18.774 1.00 12.26 N ATOM 131 N ARG B 18 7.222 3.924 20.264 1.00 8.04 N ATOM 132 CA ARG B 18 7.055 5.280 20.772 1.00 9.50 C ATOM 133 C ARG B 18 6.857 5.331 22.286 1.00 9.39 C ATOM 134 O ARG B 18 6.407 4.362 22.895 1.00 8.89 O ATOM 135 CB ARG B 18 5.872 5.957 20.068 1.00 10.53 C ATOM 136 CG ARG B 18 4.503 5.391 20.416 1.00 11.73 C ATOM 137 CD ARG B 18 3.440 5.837 19.410 1.00 14.97 C ATOM 138 NE ARG B 18 2.082 5.475 19.830 1.00 14.44 N ATOM 139 CZ ARG B 18 1.287 6.253 20.561 1.00 17.79 C ATOM 140 NH1 ARG B 18 1.702 7.451 20.960 1.00 17.99 N ATOM 141 NH2 ARG B 18 0.071 5.835 20.896 1.00 17.66 N ATOM 142 N LYS B 19 7.210 6.470 22.876 1.00 9.57 N ATOM 143 CA LYS B 19 7.076 6.705 24.310 1.00 11.37 C ATOM 144 C LYS B 19 7.799 5.678 25.182 1.00 12.70 C ATOM 145 O LYS B 19 7.345 5.360 26.284 1.00 12.11 O ATOM 146 CB LYS B 19 5.590 6.767 24.685 1.00 13.10 C ATOM 147 CG LYS B 19 4.857 7.986 24.114 1.00 15.92 C ATOM 148 CD LYS B 19 3.375 7.962 24.472 1.00 18.66 C ATOM 149 CE LYS B 19 2.625 9.173 23.932 1.00 18.94 C ATOM 150 NZ LYS B 19 3.033 10.431 24.603 1.00 23.77 N ATOM 151 N SER B 20 8.939 5.184 24.705 1.00 9.85 N ATOM 152 CA SER B 20 9.698 4.188 25.455 1.00 9.35 C ATOM 153 C SER B 20 11.046 4.716 25.962 1.00 9.84 C ATOM 154 O SER B 20 11.772 4.016 26.665 1.00 9.08 O ATOM 155 CB SER B 20 9.915 2.944 24.591 1.00 8.83 C ATOM 156 OG SER B 20 8.675 2.391 24.170 1.00 11.28 O ATOM 157 N GLY B 21 11.374 5.953 25.606 1.00 10.20 N ATOM 158 CA GLY B 21 12.627 6.539 26.051 1.00 9.78 C ATOM 159 C GLY B 21 13.781 6.417 25.072 1.00 8.99 C ATOM 160 O GLY B 21 14.936 6.641 25.438 1.00 8.64 O ATOM 161 N LYS B 22 13.483 6.069 23.826 1.00 10.06 N ATOM 162 CA LYS B 22 14.537 5.922 22.829 1.00 11.47 C ATOM 163 C LYS B 22 15.297 7.222 22.567 1.00 11.36 C ATOM 164 O LYS B 22 16.528 7.212 22.491 1.00 11.30 O ATOM 165 CB LYS B 22 13.961 5.382 21.520 1.00 10.89 C ATOM 166 CG LYS B 22 15.016 5.065 20.463 1.00 12.84 C ATOM 167 CD LYS B 22 14.421 4.305 19.281 1.00 13.20 C ATOM 168 CE LYS B 22 13.418 5.148 18.509 1.00 17.59 C ATOM 169 NZ LYS B 22 14.037 6.383 17.960 1.00 15.02 N ATOM 170 N ASP B 23 14.579 8.336 22.426 1.00 11.67 N ATOM 171 CA ASP B 23 15.230 9.630 22.186 1.00 12.56 C ATOM 172 C ASP B 23 16.092 10.026 23.379 1.00 12.36 C ATOM 173 O ASP B 23 17.146 10.645 23.223 1.00 11.40 O ATOM 174 CB ASP B 23 14.200 10.738 21.936 1.00 16.41 C ATOM 175 CG ASP B 23 13.551 10.640 20.573 1.00 20.55 C ATOM 176 OD1 ASP B 23 14.084 9.916 19.706 1.00 20.91 O ATOM 177 OD2 ASP B 23 12.511 11.303 20.367 1.00 22.84 O ATOM 178 N PHE B 24 15.630 9.684 24.576 1.00 9.57 N ATOM 179 CA PHE B 24 16.384 9.991 25.783 1.00 10.35 C ATOM 180 C PHE B 24 17.734 9.283 25.680 1.00 9.75 C ATOM 181 O PHE B 24 18.783 9.863 25.967 1.00 9.97 O ATOM 182 CB PHE B 24 15.627 9.483 27.015 1.00 12.15 C ATOM 183 CG PHE B 24 16.230 9.919 28.326 1.00 11.34 C ATOM 184 CD1 PHE B 24 15.829 11.111 28.931 1.00 12.91 C ATOM 185 CD2 PHE B 24 17.191 9.140 28.956 1.00 12.75 C ATOM 186 CE1 PHE B 24 16.379 11.515 30.149 1.00 13.85 C ATOM 187 CE2 PHE B 24 17.750 9.534 30.174 1.00 13.48 C ATOM 188 CZ PHE B 24 17.345 10.719 30.771 1.00 13.62 C ATOM 189 N VAL B 25 17.702 8.022 25.265 1.00 9.48 N ATOM 190 CA VAL B 25 18.926 7.236 25.135 1.00 10.55 C ATOM 191 C VAL B 25 19.879 7.758 24.055 1.00 9.89 C ATOM 192 O VAL B 25 21.064 7.969 24.316 1.00 9.73 O ATOM 193 CB VAL B 25 18.607 5.758 24.834 1.00 10.39 C ATOM 194 CG1 VAL B 25 19.897 4.986 24.544 1.00 13.01 C ATOM 195 CG2 VAL B 25 17.888 5.133 26.027 1.00 11.91 C ATOM 196 N THR B 26 19.368 7.968 22.849 1.00 9.95 N ATOM 197 CA THR B 26 20.223 8.438 21.767 1.00 10.62 C ATOM 198 C THR B 26 20.817 9.825 22.011 1.00 12.15 C ATOM 199 O THR B 26 21.991 10.059 21.712 1.00 10.63 O ATOM 200 CB THR B 26 19.482 8.400 20.399 1.00 9.16 C ATOM 201 OG1 THR B 26 18.316 9.230 20.438 1.00 11.22 O ATOM 202 CG2 THR B 26 19.069 6.976 20.072 1.00 11.49 C ATOM 203 N GLU B 27 20.035 10.746 22.570 1.00 10.36 N ATOM 204 CA GLU B 27 20.576 12.074 22.829 1.00 12.02 C ATOM 205 C GLU B 27 21.605 12.065 23.960 1.00 11.50 C ATOM 206 O GLU B 27 22.553 12.852 23.948 1.00 13.45 O ATOM 207 CB GLU B 27 19.456 13.073 23.131 1.00 13.60 C ATOM 208 CG GLU B 27 18.632 13.420 21.903 1.00 16.70 C ATOM 209 CD GLU B 27 18.103 14.841 21.934 1.00 19.55 C ATOM 210 OE1 GLU B 27 18.409 15.575 22.901 1.00 19.16 O ATOM 211 OE2 GLU B 27 17.382 15.221 20.987 1.00 21.84 O ATOM 212 N ALA B 28 21.426 11.175 24.931 1.00 10.59 N ATOM 213 CA ALA B 28 22.370 11.078 26.037 1.00 11.65 C ATOM 214 C ALA B 28 23.716 10.584 25.502 1.00 12.67 C ATOM 215 O ALA B 28 24.775 11.084 25.890 1.00 12.27 O ATOM 216 CB ALA B 28 21.849 10.116 27.092 1.00 11.37 C ATOM 217 N LEU B 29 23.666 9.603 24.605 1.00 12.47 N ATOM 218 CA LEU B 29 24.880 9.043 24.021 1.00 14.32 C ATOM 219 C LEU B 29 25.645 10.085 23.215 1.00 15.98 C ATOM 220 O LEU B 29 26.861 10.219 23.364 1.00 16.20 O ATOM 221 CB LEU B 29 24.546 7.841 23.127 1.00 14.37 C ATOM 222 CG LEU B 29 23.959 6.594 23.801 1.00 16.18 C ATOM 223 CD1 LEU B 29 23.671 5.537 22.741 1.00 15.58 C ATOM 224 CD2 LEU B 29 24.920 6.051 24.855 1.00 15.29 C ATOM 225 N GLN B 30 24.945 10.830 22.365 1.00 17.05 N ATOM 226 CA GLN B 30 25.628 11.844 21.568 1.00 19.32 C ATOM 227 C GLN B 30 26.215 12.925 22.473 1.00 20.50 C ATOM 228 O GLN B 30 27.326 13.410 22.238 1.00 20.63 O ATOM 229 CB GLN B 30 24.677 12.475 20.547 1.00 19.03 C ATOM 230 CG GLN B 30 25.376 13.464 19.612 1.00 22.08 C ATOM 231 CD GLN B 30 24.488 13.945 18.485 1.00 23.35 C ATOM 232 OE1 GLN B 30 23.394 14.454 18.716 1.00 24.82 O ATOM 233 NE2 GLN B 30 24.960 13.786 17.249 1.00 23.83 N ATOM 234 N SER B 31 25.474 13.298 23.513 1.00 20.23 N ATOM 235 CA SER B 31 25.945 14.316 24.448 1.00 21.86 C ATOM 236 C SER B 31 27.264 13.921 25.099 1.00 21.52 C ATOM 237 O SER B 31 28.216 14.703 25.112 1.00 23.22 O ATOM 238 CB SER B 31 24.907 14.559 25.546 1.00 22.52 C ATOM 239 OG SER B 31 23.724 15.136 25.022 1.00 28.58 O ATOM 240 N ARG B 32 27.311 12.707 25.638 1.00 22.01 N ATOM 241 CA ARG B 32 28.497 12.196 26.320 1.00 22.95 C ATOM 242 C ARG B 32 29.700 12.038 25.395 1.00 24.06 C ATOM 243 O ARG B 32 30.837 12.280 25.801 1.00 23.69 O ATOM 244 CB ARG B 32 28.202 10.833 26.965 1.00 23.52 C ATOM 245 CG ARG B 32 26.956 10.766 27.852 1.00 26.92 C ATOM 246 CD ARG B 32 27.103 11.562 29.139 1.00 27.20 C ATOM 247 NE ARG B 32 25.843 11.650 29.878 1.00 28.15 N ATOM 248 CZ ARG B 32 25.344 10.700 30.667 1.00 28.34 C ATOM 249 NH1 ARG B 32 25.991 9.557 30.849 1.00 27.96 N ATOM 250 NH2 ARG B 32 24.184 10.897 31.281 1.00 26.72 N ATOM 251 N LEU B 33 29.450 11.627 24.155 1.00 22.86 N ATOM 252 CA LEU B 33 30.529 11.406 23.195 1.00 23.31 C ATOM 253 C LEU B 33 30.993 12.663 22.464 1.00 22.99 C ATOM 254 O LEU B 33 32.181 12.804 22.156 1.00 24.01 O ATOM 255 CB LEU B 33 30.099 10.346 22.175 1.00 22.79 C ATOM 256 CG LEU B 33 29.792 8.951 22.729 1.00 22.98 C ATOM 257 CD1 LEU B 33 29.020 8.142 21.695 1.00 22.01 C ATOM 258 CD2 LEU B 33 31.089 8.248 23.119 1.00 23.39 C ATOM 259 N GLY B 34 30.062 13.569 22.184 1.00 22.17 N ATOM 260 CA GLY B 34 30.411 14.784 21.471 1.00 22.96 C ATOM 261 C GLY B 34 29.996 14.651 20.020 1.00 23.39 C ATOM 262 O GLY B 34 30.142 13.583 19.429 1.00 22.75 O ATOM 263 N ALA B 35 29.482 15.732 19.442 1.00 26.22 N ATOM 264 CA ALA B 35 29.025 15.725 18.055 1.00 27.34 C ATOM 265 C ALA B 35 30.106 15.363 17.042 1.00 28.31 C ATOM 266 O ALA B 35 29.799 14.829 15.975 1.00 29.84 O ATOM 267 CB ALA B 35 28.423 17.076 17.704 1.00 29.33 C ATOM 268 N ASP B 36 31.364 15.654 17.362 1.00 28.63 N ATOM 269 CA ASP B 36 32.460 15.345 16.448 1.00 27.94 C ATOM 270 C ASP B 36 32.862 13.874 16.512 1.00 25.24 C ATOM 271 O ASP B 36 33.514 13.357 15.606 1.00 22.98 O ATOM 272 CB ASP B 36 33.676 16.229 16.747 1.00 32.19 C ATOM 273 CG ASP B 36 34.273 15.969 18.118 1.00 35.55 C ATOM 274 OD1 ASP B 36 35.308 16.593 18.436 1.00 36.87 O ATOM 275 OD2 ASP B 36 33.712 15.150 18.877 1.00 39.06 O ATOM 276 N VAL B 37 32.473 13.202 17.587 1.00 21.63 N ATOM 277 CA VAL B 37 32.783 11.789 17.746 1.00 18.99 C ATOM 278 C VAL B 37 31.593 10.949 17.290 1.00 17.65 C ATOM 279 O VAL B 37 31.753 9.951 16.589 1.00 13.95 O ATOM 280 CB VAL B 37 33.077 11.438 19.224 1.00 19.45 C ATOM 281 CG1 VAL B 37 33.166 9.923 19.394 1.00 20.78 C ATOM 282 CG2 VAL B 37 34.370 12.101 19.669 1.00 21.89 C ATOM 283 N CYS B 38 30.401 11.380 17.686 1.00 17.74 N ATOM 284 CA CYS B 38 29.175 10.658 17.376 1.00 17.61 C ATOM 285 C CYS B 38 28.167 11.460 16.564 1.00 18.58 C ATOM 286 O CYS B 38 27.878 12.617 16.872 1.00 21.82 O ATOM 287 CB CYS B 38 28.534 10.198 18.686 1.00 19.38 C ATOM 288 SG CYS B 38 27.014 9.278 18.509 1.00 19.97 S ATOM 289 N ALA B 39 27.634 10.834 15.520 1.00 18.14 N ATOM 290 CA ALA B 39 26.642 11.470 14.665 1.00 17.76 C ATOM 291 C ALA B 39 25.323 10.720 14.811 1.00 15.73 C ATOM 292 O ALA B 39 25.308 9.492 14.880 1.00 15.30 O ATOM 293 CB ALA B 39 27.098 11.434 13.211 1.00 18.69 C ATOM 294 N VAL B 40 24.221 11.457 14.874 1.00 14.67 N ATOM 295 CA VAL B 40 22.907 10.831 14.982 1.00 14.85 C ATOM 296 C VAL B 40 22.259 10.949 13.613 1.00 12.30 C ATOM 297 O VAL B 40 22.081 12.056 13.096 1.00 13.14 O ATOM 298 CB VAL B 40 22.022 11.527 16.034 1.00 15.04 C ATOM 299 CG1 VAL B 40 20.613 10.959 15.987 1.00 17.22 C ATOM 300 CG2 VAL B 40 22.616 11.322 17.419 1.00 18.38 C ATOM 301 N LEU B 41 21.925 9.804 13.030 1.00 11.54 N ATOM 302 CA LEU B 41 21.321 9.748 11.705 1.00 12.46 C ATOM 303 C LEU B 41 19.868 9.301 11.812 1.00 12.29 C ATOM 304 O LEU B 41 19.556 8.353 12.531 1.00 11.88 O ATOM 305 CB LEU B 41 22.100 8.771 10.822 1.00 12.16 C ATOM 306 CG LEU B 41 23.627 8.920 10.826 1.00 15.95 C ATOM 307 CD1 LEU B 41 24.230 7.963 9.803 1.00 13.70 C ATOM 308 CD2 LEU B 41 24.012 10.364 10.510 1.00 15.13 C ATOM 309 N ARG B 42 18.986 9.995 11.099 1.00 11.36 N ATOM 310 CA ARG B 42 17.560 9.680 11.124 1.00 12.27 C ATOM 311 C ARG B 42 17.010 9.345 9.749 1.00 9.54 C ATOM 312 O ARG B 42 17.037 10.177 8.844 1.00 9.09 O ATOM 313 CB ARG B 42 16.768 10.860 11.701 1.00 15.20 C ATOM 314 CG ARG B 42 16.889 11.036 13.208 1.00 21.06 C ATOM 315 CD ARG B 42 16.209 12.321 13.663 1.00 24.42 C ATOM 316 NE ARG B 42 17.021 13.500 13.368 1.00 30.81 N ATOM 317 CZ ARG B 42 18.095 13.863 14.066 1.00 31.56 C ATOM 318 NH1 ARG B 42 18.776 14.947 13.724 1.00 33.53 N ATOM 319 NH2 ARG B 42 18.481 13.150 15.114 1.00 34.70 N ATOM 320 N LEU B 43 16.501 8.125 9.604 1.00 9.86 N ATOM 321 CA LEU B 43 15.914 7.667 8.348 1.00 9.96 C ATOM 322 C LEU B 43 14.712 8.539 7.974 1.00 11.22 C ATOM 323 O LEU B 43 14.342 8.645 6.806 1.00 12.81 O ATOM 324 CB LEU B 43 15.491 6.197 8.480 1.00 8.98 C ATOM 325 CG LEU B 43 16.629 5.164 8.524 1.00 9.73 C ATOM 326 CD1 LEU B 43 16.112 3.808 9.023 1.00 9.74 C ATOM 327 CD2 LEU B 43 17.237 5.030 7.129 1.00 9.07 C ATOM 328 N SER B 44 14.113 9.179 8.973 1.00 13.10 N ATOM 329 CA SER B 44 12.965 10.046 8.742 1.00 14.50 C ATOM 330 C SER B 44 13.372 11.312 7.982 1.00 14.55 C ATOM 331 O SER B 44 12.538 11.970 7.363 1.00 14.98 O ATOM 332 CB SER B 44 12.327 10.433 10.079 1.00 15.56 C ATOM 333 OG SER B 44 13.213 11.229 10.847 1.00 18.41 O ATOM 334 N GLY B 45 14.657 11.650 8.038 1.00 13.72 N ATOM 335 CA GLY B 45 15.139 12.832 7.347 1.00 13.87 C ATOM 336 C GLY B 45 14.950 12.702 5.849 1.00 15.03 C ATOM 337 O GLY B 45 14.239 13.505 5.240 1.00 15.72 O ATOM 338 N PRO B 46 15.581 11.700 5.219 1.00 13.46 N ATOM 339 CA PRO B 46 15.447 11.503 3.774 1.00 14.12 C ATOM 340 C PRO B 46 14.015 11.174 3.368 1.00 15.00 C ATOM 341 O PRO B 46 13.609 11.457 2.244 1.00 15.27 O ATOM 342 CB PRO B 46 16.406 10.352 3.489 1.00 14.70 C ATOM 343 CG PRO B 46 17.470 10.547 4.530 1.00 18.20 C ATOM 344 CD PRO B 46 16.652 10.848 5.765 1.00 15.71 C ATOM 345 N LEU B 47 13.257 10.562 4.275 1.00 13.61 N ATOM 346 CA LEU B 47 11.869 10.226 3.977 1.00 14.28 C ATOM 347 C LEU B 47 11.119 11.515 3.671 1.00 15.30 C ATOM 348 O LEU B 47 10.441 11.628 2.652 1.00 15.57 O ATOM 349 CB LEU B 47 11.207 9.526 5.171 1.00 14.74 C ATOM 350 CG LEU B 47 9.708 9.241 5.005 1.00 14.87 C ATOM 351 CD1 LEU B 47 9.490 8.299 3.830 1.00 16.18 C ATOM 352 CD2 LEU B 47 9.155 8.633 6.282 1.00 17.64 C ATOM 353 N LYS B 48 11.258 12.488 4.565 1.00 17.59 N ATOM 354 CA LYS B 48 10.608 13.782 4.407 1.00 19.66 C ATOM 355 C LYS B 48 11.153 14.542 3.203 1.00 20.82 C ATOM 356 O LYS B 48 10.386 15.024 2.369 1.00 20.04 O ATOM 357 CB LYS B 48 10.809 14.627 5.667 1.00 21.61 C ATOM 358 CG LYS B 48 10.063 14.133 6.893 1.00 25.09 C ATOM 359 CD LYS B 48 10.491 14.904 8.132 1.00 28.23 C ATOM 360 CE LYS B 48 10.322 16.404 7.941 1.00 29.62 C ATOM 361 NZ LYS B 48 10.898 17.167 9.082 1.00 33.70 N ATOM 362 N GLU B 49 12.478 14.638 3.109 1.00 21.32 N ATOM 363 CA GLU B 49 13.111 15.362 2.007 1.00 22.64 C ATOM 364 C GLU B 49 12.757 14.801 0.634 1.00 22.37 C ATOM 365 O GLU B 49 12.367 15.544 -0.266 1.00 24.25 O ATOM 366 CB GLU B 49 14.647 15.373 2.154 1.00 23.11 C ATOM 367 CG GLU B 49 15.333 14.043 1.822 1.00 25.65 C ATOM 368 CD GLU B 49 16.821 14.185 1.486 1.00 24.57 C ATOM 369 OE1 GLU B 49 17.487 13.148 1.294 1.00 22.01 O ATOM 370 OE2 GLU B 49 17.320 15.327 1.402 1.00 28.98 O ATOM 371 N GLN B 50 12.897 13.491 0.472 1.00 20.69 N ATOM 372 CA GLN B 50 12.616 12.856 -0.807 1.00 19.98 C ATOM 373 C GLN B 50 11.136 12.855 -1.161 1.00 21.99 C ATOM 374 O GLN B 50 10.776 13.050 -2.324 1.00 20.36 O ATOM 375 CB GLN B 50 13.153 11.426 -0.813 1.00 19.57 C ATOM 376 CG GLN B 50 14.671 11.329 -0.777 1.00 19.98 C ATOM 377 CD GLN B 50 15.318 11.938 -2.005 1.00 21.11 C ATOM 378 OE1 GLN B 50 14.890 11.683 -3.128 1.00 19.86 O ATOM 379 NE2 GLN B 50 16.359 12.739 -1.797 1.00 19.30 N ATOM 380 N TYR B 51 10.283 12.638 -0.165 1.00 20.61 N ATOM 381 CA TYR B 51 8.843 12.621 -0.406 1.00 24.75 C ATOM 382 C TYR B 51 8.445 13.952 -0.998 1.00 27.17 C ATOM 383 O TYR B 51 8.072 14.068 -2.165 1.00 26.11 O ATOM 384 CB TYR B 51 8.065 12.439 0.898 1.00 25.09 C ATOM 385 CG TYR B 51 6.569 12.609 0.722 1.00 26.72 C ATOM 386 CD1 TYR B 51 5.787 11.575 0.212 1.00 26.95 C ATOM 387 CD2 TYR B 51 5.942 13.820 1.027 1.00 29.31 C ATOM 388 CE1 TYR B 51 4.414 11.737 0.008 1.00 27.59 C ATOM 389 CE2 TYR B 51 4.570 13.996 0.825 1.00 31.03 C ATOM 390 CZ TYR B 51 3.815 12.949 0.315 1.00 30.24 C ATOM 391 OH TYR B 51 2.464 13.118 0.115 1.00 30.66 O ATOM 392 N ALA B 52 8.532 14.964 -0.154 1.00 30.29 N ATOM 393 CA ALA B 52 8.177 16.301 -0.542 1.00 33.62 C ATOM 394 C ALA B 52 8.795 16.649 -1.900 1.00 35.34 C ATOM 395 O ALA B 52 8.153 17.300 -2.725 1.00 35.05 O ATOM 396 CB ALA B 52 8.626 17.249 0.539 1.00 33.03 C ATOM 397 N GLN B 53 10.019 16.183 -2.147 1.00 37.26 N ATOM 398 CA GLN B 53 10.711 16.460 -3.407 1.00 38.48 C ATOM 399 C GLN B 53 10.034 15.860 -4.632 1.00 39.94 C ATOM 400 O GLN B 53 9.757 16.566 -5.600 1.00 40.00 O ATOM 401 CB GLN B 53 12.163 15.974 -3.344 1.00 38.77 C ATOM 402 CG GLN B 53 12.920 16.141 -4.653 1.00 38.21 C ATOM 403 CD GLN B 53 14.352 15.657 -4.566 1.00 39.39 C ATOM 404 OE1 GLN B 53 15.178 16.250 -3.871 1.00 40.13 O ATOM 405 NE2 GLN B 53 14.653 14.570 -5.267 1.00 39.21 N ATOM 406 N GLU B 54 9.784 14.556 -4.592 1.00 40.87 N ATOM 407 CA GLU B 54 9.136 13.868 -5.703 1.00 42.20 C ATOM 408 C GLU B 54 7.680 14.289 -5.847 1.00 42.00 C ATOM 409 O GLU B 54 6.927 13.687 -6.610 1.00 42.98 O ATOM 410 CB GLU B 54 9.202 12.354 -5.503 1.00 43.55 C ATOM 411 CG GLU B 54 10.293 11.667 -6.306 1.00 46.17 C ATOM 412 CD GLU B 54 10.251 10.158 -6.161 1.00 47.44 C ATOM 413 OE1 GLU B 54 9.144 9.584 -6.252 1.00 47.55 O ATOM 414 OE2 GLU B 54 11.325 9.546 -5.967 1.00 48.16 O ATOM 415 N HIS B 55 7.296 15.332 -5.119 1.00 41.24 N ATOM 416 CA HIS B 55 5.929 15.836 -5.140 1.00 42.00 C ATOM 417 C HIS B 55 5.888 17.325 -5.419 1.00 42.66 C ATOM 418 O HIS B 55 4.866 17.972 -5.204 1.00 42.99 O ATOM 419 CB HIS B 55 5.266 15.584 -3.787 1.00 40.87 C ATOM 420 CG HIS B 55 4.927 14.150 -3.539 1.00 40.05 C ATOM 421 ND1 HIS B 55 3.672 13.634 -3.773 1.00 40.33 N ATOM 422 CD2 HIS B 55 5.687 13.115 -3.108 1.00 39.31 C ATOM 423 CE1 HIS B 55 3.673 12.342 -3.498 1.00 38.66 C ATOM 424 NE2 HIS B 55 4.883 12.003 -3.093 1.00 38.56 N ATOM 425 N GLY B 56 6.984 17.877 -5.914 1.00 43.76 N ATOM 426 CA GLY B 56 6.997 19.305 -6.132 1.00 45.92 C ATOM 427 C GLY B 56 7.398 19.838 -4.780 1.00 47.08 C ATOM 428 O GLY B 56 6.544 20.162 -3.954 1.00 48.14 O ATOM 429 N LEU B 57 8.700 19.929 -4.545 1.00 48.37 N ATOM 430 CA LEU B 57 9.171 20.363 -3.246 1.00 49.40 C ATOM 431 C LEU B 57 10.043 21.589 -3.121 1.00 50.27 C ATOM 432 O LEU B 57 10.057 22.510 -3.935 1.00 51.11 O ATOM 433 CB LEU B 57 9.916 19.209 -2.565 1.00 49.92 C ATOM 434 CG LEU B 57 10.494 19.400 -1.154 1.00 50.84 C ATOM 435 CD1 LEU B 57 9.364 19.830 -0.233 1.00 50.65 C ATOM 436 CD2 LEU B 57 11.228 18.168 -0.663 1.00 51.31 C ATOM 437 N ASN B 58 10.763 21.519 -2.017 1.00 51.67 N ATOM 438 CA ASN B 58 11.726 22.441 -1.487 1.00 51.97 C ATOM 439 C ASN B 58 12.049 21.808 -0.142 1.00 52.21 C ATOM 440 O ASN B 58 11.149 21.680 0.686 1.00 52.63 O ATOM 441 CB ASN B 58 11.109 23.805 -1.193 1.00 51.92 C ATOM 442 CG ASN B 58 11.124 24.722 -2.380 1.00 52.65 C ATOM 443 OD1 ASN B 58 11.917 24.549 -3.306 1.00 52.31 O ATOM 444 ND2 ASN B 58 10.264 25.732 -2.351 1.00 52.98 N ATOM 445 N PHE B 59 13.283 21.342 0.039 1.00 52.33 N ATOM 446 CA PHE B 59 13.774 20.828 1.324 1.00 52.09 C ATOM 447 C PHE B 59 13.410 19.574 2.131 1.00 52.37 C ATOM 448 O PHE B 59 12.752 18.635 1.673 1.00 53.06 O ATOM 449 CB PHE B 59 13.737 21.996 2.315 1.00 51.31 C ATOM 450 CG PHE B 59 12.351 22.406 2.737 1.00 49.46 C ATOM 451 CD1 PHE B 59 11.915 23.715 2.565 1.00 48.68 C ATOM 452 CD2 PHE B 59 11.474 21.475 3.291 1.00 48.79 C ATOM 453 CE1 PHE B 59 10.627 24.088 2.937 1.00 49.12 C ATOM 454 CE2 PHE B 59 10.185 21.838 3.666 1.00 48.92 C ATOM 455 CZ PHE B 59 9.760 23.151 3.488 1.00 48.76 C ATOM 456 N GLN B 60 13.884 19.645 3.379 1.00 52.06 N ATOM 457 CA GLN B 60 13.758 18.641 4.429 1.00 51.72 C ATOM 458 C GLN B 60 12.359 18.077 4.683 1.00 52.25 C ATOM 459 O GLN B 60 11.516 18.704 5.320 1.00 53.28 O ATOM 460 CB GLN B 60 14.365 19.212 5.734 1.00 51.40 C ATOM 461 CG GLN B 60 13.394 19.855 6.751 1.00 51.77 C ATOM 462 CD GLN B 60 12.874 21.237 6.360 1.00 51.72 C ATOM 463 OE1 GLN B 60 11.950 21.761 6.987 1.00 50.93 O ATOM 464 NE2 GLN B 60 13.476 21.837 5.342 1.00 52.55 N ATOM 465 N TYR B 68 -5.519 16.058 9.549 1.00 49.89 N ATOM 466 CA TYR B 68 -5.286 17.477 9.330 1.00 49.83 C ATOM 467 C TYR B 68 -3.831 17.880 9.554 1.00 49.12 C ATOM 468 O TYR B 68 -3.465 18.320 10.645 1.00 49.42 O ATOM 469 CB TYR B 68 -6.204 18.304 10.236 1.00 51.33 C ATOM 470 CG TYR B 68 -7.296 19.008 9.476 1.00 52.34 C ATOM 471 CD1 TYR B 68 -8.335 18.294 8.874 1.00 53.06 C ATOM 472 CD2 TYR B 68 -7.243 20.385 9.285 1.00 53.11 C ATOM 473 CE1 TYR B 68 -9.286 18.943 8.090 1.00 53.78 C ATOM 474 CE2 TYR B 68 -8.177 21.040 8.509 1.00 53.65 C ATOM 475 CZ TYR B 68 -9.187 20.324 7.912 1.00 54.07 C ATOM 476 OH TYR B 68 -10.042 21.021 7.098 1.00 54.26 O ATOM 477 N LYS B 69 -3.008 17.722 8.520 1.00 48.40 N ATOM 478 CA LYS B 69 -1.594 18.082 8.593 1.00 47.30 C ATOM 479 C LYS B 69 -0.667 16.990 9.120 1.00 46.92 C ATOM 480 O LYS B 69 0.534 17.204 9.292 1.00 46.39 O ATOM 481 CB LYS B 69 -1.356 19.098 9.712 1.00 46.76 C ATOM 482 CG LYS B 69 -0.114 19.952 9.523 1.00 45.32 C ATOM 483 CD LYS B 69 -0.061 21.083 10.537 1.00 44.84 C ATOM 484 CE LYS B 69 1.152 21.972 10.310 1.00 44.86 C ATOM 485 NZ LYS B 69 1.066 22.710 9.020 1.00 44.36 N ATOM 486 N GLU B 70 -1.240 15.819 9.373 1.00 47.08 N ATOM 487 CA GLU B 70 -0.511 14.679 9.918 1.00 47.01 C ATOM 488 C GLU B 70 -1.275 13.394 9.573 1.00 45.73 C ATOM 489 O GLU B 70 -1.344 12.444 10.350 1.00 46.86 O ATOM 490 CB GLU B 70 -0.128 14.721 11.400 1.00 48.37 C ATOM 491 CG GLU B 70 0.198 13.388 12.042 1.00 50.20 C ATOM 492 CD GLU B 70 -0.392 13.294 13.425 1.00 51.16 C ATOM 493 OE1 GLU B 70 -0.508 12.171 13.961 1.00 51.57 O ATOM 494 OE2 GLU B 70 -0.739 14.358 13.979 1.00 52.10 O ATOM 495 N ALA B 71 -1.893 13.408 8.403 1.00 43.88 N ATOM 496 CA ALA B 71 -2.589 12.253 7.855 1.00 41.05 C ATOM 497 C ALA B 71 -1.668 12.158 6.654 1.00 38.66 C ATOM 498 O ALA B 71 -1.637 11.178 5.907 1.00 38.95 O ATOM 499 CB ALA B 71 -3.999 12.619 7.431 1.00 40.74 C ATOM 500 N PHE B 72 -0.916 13.250 6.518 1.00 35.72 N ATOM 501 CA PHE B 72 0.099 13.449 5.501 1.00 32.86 C ATOM 502 C PHE B 72 1.262 12.581 5.945 1.00 29.56 C ATOM 503 O PHE B 72 2.009 12.049 5.126 1.00 26.67 O ATOM 504 CB PHE B 72 0.533 14.913 5.482 1.00 34.50 C ATOM 505 CG PHE B 72 -0.184 15.745 4.463 1.00 37.99 C ATOM 506 CD1 PHE B 72 0.050 15.546 3.108 1.00 38.24 C ATOM 507 CD2 PHE B 72 -1.092 16.726 4.852 1.00 38.48 C ATOM 508 CE1 PHE B 72 -0.607 16.311 2.149 1.00 40.23 C ATOM 509 CE2 PHE B 72 -1.756 17.498 3.901 1.00 38.97 C ATOM 510 CZ PHE B 72 -1.512 17.289 2.547 1.00 40.10 C ATOM 511 N ARG B 73 1.409 12.460 7.261 1.00 27.56 N ATOM 512 CA ARG B 73 2.446 11.626 7.849 1.00 26.66 C ATOM 513 C ARG B 73 2.211 10.219 7.312 1.00 25.33 C ATOM 514 O ARG B 73 3.149 9.509 6.950 1.00 23.83 O ATOM 515 CB ARG B 73 2.326 11.643 9.379 1.00 29.22 C ATOM 516 CG ARG B 73 2.855 10.392 10.077 1.00 32.40 C ATOM 517 CD ARG B 73 2.690 10.487 11.590 1.00 35.42 C ATOM 518 NE ARG B 73 2.737 9.173 12.232 1.00 40.03 N ATOM 519 CZ ARG B 73 1.831 8.216 12.042 1.00 40.93 C ATOM 520 NH1 ARG B 73 0.803 8.422 11.229 1.00 42.46 N ATOM 521 NH2 ARG B 73 1.950 7.051 12.661 1.00 41.34 N ATOM 522 N LYS B 74 0.939 9.832 7.253 1.00 24.61 N ATOM 523 CA LYS B 74 0.552 8.517 6.756 1.00 22.54 C ATOM 524 C LYS B 74 0.847 8.417 5.260 1.00 20.77 C ATOM 525 O LYS B 74 1.259 7.365 4.770 1.00 20.24 O ATOM 526 CB LYS B 74 -0.933 8.289 7.021 1.00 25.24 C ATOM 527 CG LYS B 74 -1.315 8.475 8.479 1.00 28.47 C ATOM 528 CD LYS B 74 -1.541 7.153 9.195 1.00 32.40 C ATOM 529 CE LYS B 74 -2.871 6.524 8.804 1.00 34.87 C ATOM 530 NZ LYS B 74 -3.688 7.417 7.930 1.00 38.11 N ATOM 531 N ASP B 75 0.624 9.508 4.534 1.00 20.10 N ATOM 532 CA ASP B 75 0.904 9.534 3.099 1.00 19.84 C ATOM 533 C ASP B 75 2.388 9.236 2.900 1.00 18.90 C ATOM 534 O ASP B 75 2.771 8.396 2.083 1.00 16.75 O ATOM 535 CB ASP B 75 0.596 10.917 2.517 1.00 22.42 C ATOM 536 CG ASP B 75 -0.887 11.189 2.397 1.00 25.11 C ATOM 537 OD1 ASP B 75 -1.691 10.401 2.929 1.00 27.83 O ATOM 538 OD2 ASP B 75 -1.246 12.205 1.770 1.00 30.17 O ATOM 539 N MET B 76 3.223 9.945 3.651 1.00 18.56 N ATOM 540 CA MET B 76 4.664 9.757 3.568 1.00 17.63 C ATOM 541 C MET B 76 5.064 8.326 3.914 1.00 16.85 C ATOM 542 O MET B 76 5.926 7.738 3.259 1.00 14.63 O ATOM 543 CB MET B 76 5.377 10.737 4.500 1.00 20.79 C ATOM 544 CG MET B 76 5.436 12.156 3.965 1.00 25.36 C ATOM 545 SD MET B 76 6.359 13.281 5.041 1.00 29.95 S ATOM 546 CE MET B 76 7.692 12.198 5.606 1.00 26.31 C ATOM 547 N ILE B 77 4.442 7.762 4.945 1.00 16.15 N ATOM 548 CA ILE B 77 4.757 6.395 5.337 1.00 17.02 C ATOM 549 C ILE B 77 4.407 5.426 4.211 1.00 17.71 C ATOM 550 O ILE B 77 5.207 4.559 3.867 1.00 16.43 O ATOM 551 CB ILE B 77 4.002 5.984 6.627 1.00 17.14 C ATOM 552 CG1 ILE B 77 4.515 6.812 7.809 1.00 17.02 C ATOM 553 CG2 ILE B 77 4.197 4.493 6.899 1.00 16.25 C ATOM 554 CD1 ILE B 77 3.819 6.518 9.120 1.00 18.77 C ATOM 555 N ARG B 78 3.215 5.575 3.636 1.00 17.33 N ATOM 556 CA ARG B 78 2.798 4.703 2.541 1.00 17.00 C ATOM 557 C ARG B 78 3.739 4.857 1.348 1.00 15.99 C ATOM 558 O ARG B 78 4.102 3.875 0.694 1.00 14.41 O ATOM 559 CB ARG B 78 1.364 5.028 2.102 1.00 20.64 C ATOM 560 CG ARG B 78 0.295 4.634 3.113 1.00 24.36 C ATOM 561 CD ARG B 78 -1.103 4.687 2.493 1.00 29.15 C ATOM 562 NE ARG B 78 -1.567 6.052 2.266 1.00 31.18 N ATOM 563 CZ ARG B 78 -2.210 6.783 3.171 1.00 32.28 C ATOM 564 NH1 ARG B 78 -2.476 6.282 4.369 1.00 34.07 N ATOM 565 NH2 ARG B 78 -2.584 8.020 2.880 1.00 32.63 N ATOM 566 N TRP B 79 4.118 6.098 1.065 1.00 14.61 N ATOM 567 CA TRP B 79 5.019 6.392 -0.042 1.00 14.91 C ATOM 568 C TRP B 79 6.386 5.771 0.236 1.00 14.46 C ATOM 569 O TRP B 79 6.979 5.139 -0.637 1.00 15.77 O ATOM 570 CB TRP B 79 5.170 7.905 -0.214 1.00 14.51 C ATOM 571 CG TRP B 79 6.167 8.287 -1.272 1.00 15.94 C ATOM 572 CD1 TRP B 79 5.967 8.307 -2.622 1.00 18.06 C ATOM 573 CD2 TRP B 79 7.535 8.662 -1.062 1.00 16.64 C ATOM 574 NE1 TRP B 79 7.129 8.672 -3.269 1.00 18.90 N ATOM 575 CE2 TRP B 79 8.104 8.896 -2.335 1.00 18.58 C ATOM 576 CE3 TRP B 79 8.334 8.823 0.079 1.00 15.96 C ATOM 577 CZ2 TRP B 79 9.445 9.281 -2.497 1.00 18.96 C ATOM 578 CZ3 TRP B 79 9.665 9.204 -0.083 1.00 17.24 C ATOM 579 CH2 TRP B 79 10.204 9.430 -1.364 1.00 16.72 C ATOM 580 N GLY B 80 6.875 5.957 1.459 1.00 15.12 N ATOM 581 CA GLY B 80 8.171 5.419 1.839 1.00 13.70 C ATOM 582 C GLY B 80 8.217 3.903 1.804 1.00 14.37 C ATOM 583 O GLY B 80 9.242 3.313 1.477 1.00 12.20 O ATOM 584 N GLU B 81 7.106 3.263 2.155 1.00 14.33 N ATOM 585 CA GLU B 81 7.053 1.809 2.141 1.00 14.72 C ATOM 586 C GLU B 81 7.150 1.278 0.711 1.00 16.30 C ATOM 587 O GLU B 81 7.795 0.259 0.461 1.00 16.33 O ATOM 588 CB GLU B 81 5.773 1.324 2.841 1.00 16.82 C ATOM 589 CG GLU B 81 5.918 1.327 4.370 1.00 20.58 C ATOM 590 CD GLU B 81 4.628 1.027 5.121 1.00 24.17 C ATOM 591 OE1 GLU B 81 4.707 0.769 6.342 1.00 24.27 O ATOM 592 OE2 GLU B 81 3.539 1.060 4.510 1.00 26.77 O ATOM 593 N GLU B 82 6.532 1.979 -0.232 1.00 17.04 N ATOM 594 CA GLU B 82 6.576 1.555 -1.630 1.00 19.60 C ATOM 595 C GLU B 82 8.018 1.638 -2.144 1.00 18.19 C ATOM 596 O GLU B 82 8.486 0.752 -2.862 1.00 17.60 O ATOM 597 CB GLU B 82 5.652 2.436 -2.479 1.00 22.04 C ATOM 598 CG GLU B 82 4.743 1.651 -3.410 1.00 29.92 C ATOM 599 CD GLU B 82 3.612 2.495 -3.976 1.00 31.72 C ATOM 600 OE1 GLU B 82 3.898 3.476 -4.693 1.00 33.72 O ATOM 601 OE2 GLU B 82 2.436 2.178 -3.698 1.00 35.26 O ATOM 602 N LYS B 83 8.722 2.699 -1.766 1.00 16.20 N ATOM 603 CA LYS B 83 10.108 2.870 -2.184 1.00 17.18 C ATOM 604 C LYS B 83 10.974 1.795 -1.540 1.00 15.99 C ATOM 605 O LYS B 83 11.777 1.145 -2.203 1.00 14.88 O ATOM 606 CB LYS B 83 10.637 4.246 -1.759 1.00 18.77 C ATOM 607 CG LYS B 83 9.842 5.426 -2.295 1.00 23.26 C ATOM 608 CD LYS B 83 9.922 5.535 -3.812 1.00 24.46 C ATOM 609 CE LYS B 83 11.299 5.974 -4.283 1.00 23.59 C ATOM 610 NZ LYS B 83 11.295 6.241 -5.754 1.00 23.87 N ATOM 611 N ARG B 84 10.784 1.606 -0.237 1.00 15.30 N ATOM 612 CA ARG B 84 11.559 0.645 0.539 1.00 15.41 C ATOM 613 C ARG B 84 11.395 -0.813 0.112 1.00 15.92 C ATOM 614 O ARG B 84 12.349 -1.588 0.168 1.00 15.26 O ATOM 615 CB ARG B 84 11.212 0.792 2.026 1.00 14.78 C ATOM 616 CG ARG B 84 12.131 0.025 2.958 1.00 16.78 C ATOM 617 CD ARG B 84 11.753 0.223 4.428 1.00 18.44 C ATOM 618 NE ARG B 84 11.780 1.625 4.847 1.00 21.64 N ATOM 619 CZ ARG B 84 10.704 2.403 4.944 1.00 23.59 C ATOM 620 NH1 ARG B 84 9.502 1.922 4.651 1.00 21.79 N ATOM 621 NH2 ARG B 84 10.827 3.659 5.349 1.00 24.18 N ATOM 622 N GLN B 85 10.189 -1.191 -0.303 1.00 16.40 N ATOM 623 CA GLN B 85 9.932 -2.563 -0.728 1.00 18.66 C ATOM 624 C GLN B 85 10.717 -2.963 -1.974 1.00 19.46 C ATOM 625 O GLN B 85 11.116 -4.118 -2.128 1.00 19.63 O ATOM 626 CB GLN B 85 8.435 -2.761 -0.973 1.00 22.30 C ATOM 627 CG GLN B 85 7.652 -3.027 0.299 1.00 26.88 C ATOM 628 CD GLN B 85 6.156 -2.932 0.096 1.00 29.20 C ATOM 629 OE1 GLN B 85 5.626 -3.372 -0.924 1.00 32.88 O ATOM 630 NE2 GLN B 85 5.463 -2.365 1.077 1.00 30.03 N ATOM 631 N ALA B 86 10.944 -2.004 -2.860 1.00 19.24 N ATOM 632 CA ALA B 86 11.682 -2.272 -4.088 1.00 18.99 C ATOM 633 C ALA B 86 13.166 -1.949 -3.936 1.00 18.56 C ATOM 634 O ALA B 86 14.007 -2.473 -4.668 1.00 18.61 O ATOM 635 CB ALA B 86 11.094 -1.451 -5.225 1.00 19.57 C ATOM 636 N ASP B 87 13.481 -1.097 -2.967 1.00 15.72 N ATOM 637 CA ASP B 87 14.852 -0.650 -2.736 1.00 15.38 C ATOM 638 C ASP B 87 15.043 -0.426 -1.236 1.00 14.54 C ATOM 639 O ASP B 87 14.950 0.698 -0.752 1.00 13.45 O ATOM 640 CB ASP B 87 15.050 0.653 -3.514 1.00 14.34 C ATOM 641 CG ASP B 87 16.473 1.171 -3.474 1.00 17.89 C ATOM 642 OD1 ASP B 87 17.365 0.498 -2.911 1.00 17.00 O ATOM 643 OD2 ASP B 87 16.687 2.271 -4.026 1.00 15.57 O ATOM 644 N PRO B 88 15.320 -1.504 -0.489 1.00 15.51 N ATOM 645 CA PRO B 88 15.527 -1.477 0.964 1.00 14.66 C ATOM 646 C PRO B 88 16.471 -0.391 1.469 1.00 15.03 C ATOM 647 O PRO B 88 16.271 0.152 2.559 1.00 13.92 O ATOM 648 CB PRO B 88 16.059 -2.876 1.264 1.00 17.79 C ATOM 649 CG PRO B 88 15.407 -3.717 0.212 1.00 19.08 C ATOM 650 CD PRO B 88 15.532 -2.863 -1.021 1.00 16.19 C ATOM 651 N GLY B 89 17.497 -0.075 0.683 1.00 13.25 N ATOM 652 CA GLY B 89 18.454 0.933 1.102 1.00 13.00 C ATOM 653 C GLY B 89 18.178 2.344 0.619 1.00 12.39 C ATOM 654 O GLY B 89 18.998 3.242 0.829 1.00 10.91 O ATOM 655 N PHE B 90 17.022 2.556 -0.006 1.00 10.54 N ATOM 656 CA PHE B 90 16.684 3.875 -0.530 1.00 11.40 C ATOM 657 C PHE B 90 16.922 5.013 0.453 1.00 11.65 C ATOM 658 O PHE B 90 17.470 6.052 0.086 1.00 11.16 O ATOM 659 CB PHE B 90 15.223 3.918 -0.995 1.00 12.69 C ATOM 660 CG PHE B 90 14.851 5.202 -1.686 1.00 12.78 C ATOM 661 CD1 PHE B 90 15.157 5.398 -3.032 1.00 13.91 C ATOM 662 CD2 PHE B 90 14.238 6.234 -0.983 1.00 11.74 C ATOM 663 CE1 PHE B 90 14.857 6.612 -3.664 1.00 14.19 C ATOM 664 CE2 PHE B 90 13.938 7.443 -1.602 1.00 12.95 C ATOM 665 CZ PHE B 90 14.248 7.634 -2.945 1.00 15.37 C ATOM 666 N PHE B 91 16.505 4.831 1.703 1.00 11.59 N ATOM 667 CA PHE B 91 16.691 5.880 2.694 1.00 10.14 C ATOM 668 C PHE B 91 18.000 5.710 3.449 1.00 9.64 C ATOM 669 O PHE B 91 18.623 6.692 3.838 1.00 10.18 O ATOM 670 CB PHE B 91 15.499 5.904 3.658 1.00 10.39 C ATOM 671 CG PHE B 91 14.197 6.195 2.974 1.00 9.05 C ATOM 672 CD1 PHE B 91 13.909 7.479 2.525 1.00 9.21 C ATOM 673 CD2 PHE B 91 13.290 5.172 2.717 1.00 11.07 C ATOM 674 CE1 PHE B 91 12.729 7.744 1.819 1.00 12.01 C ATOM 675 CE2 PHE B 91 12.110 5.424 2.014 1.00 10.47 C ATOM 676 CZ PHE B 91 11.832 6.710 1.565 1.00 11.76 C ATOM 677 N CYS B 92 18.426 4.464 3.636 1.00 11.01 N ATOM 678 CA CYS B 92 19.675 4.196 4.345 1.00 11.00 C ATOM 679 C CYS B 92 20.870 4.864 3.656 1.00 11.68 C ATOM 680 O CYS B 92 21.702 5.480 4.319 1.00 11.03 O ATOM 681 CB CYS B 92 19.919 2.688 4.452 1.00 11.10 C ATOM 682 SG CYS B 92 18.777 1.798 5.538 1.00 11.94 S ATOM 683 N ARG B 93 20.939 4.748 2.330 1.00 12.75 N ATOM 684 CA ARG B 93 22.024 5.345 1.542 1.00 13.05 C ATOM 685 C ARG B 93 22.116 6.852 1.728 1.00 13.78 C ATOM 686 O ARG B 93 23.202 7.436 1.660 1.00 15.05 O ATOM 687 CB ARG B 93 21.826 5.079 0.043 1.00 15.28 C ATOM 688 CG ARG B 93 21.995 3.648 -0.409 1.00 15.98 C ATOM 689 CD ARG B 93 22.121 3.585 -1.932 1.00 14.73 C ATOM 690 NE ARG B 93 20.959 4.140 -2.621 1.00 12.64 N ATOM 691 CZ ARG B 93 19.826 3.475 -2.835 1.00 13.34 C ATOM 692 NH1 ARG B 93 19.701 2.221 -2.421 1.00 11.23 N ATOM 693 NH2 ARG B 93 18.810 4.068 -3.447 1.00 14.11 N ATOM 694 N LYS B 94 20.969 7.481 1.946 1.00 10.87 N ATOM 695 CA LYS B 94 20.905 8.921 2.108 1.00 11.41 C ATOM 696 C LYS B 94 21.331 9.452 3.473 1.00 11.68 C ATOM 697 O LYS B 94 21.836 10.566 3.559 1.00 13.59 O ATOM 698 CB LYS B 94 19.495 9.409 1.748 1.00 11.32 C ATOM 699 CG LYS B 94 19.169 9.201 0.267 1.00 9.83 C ATOM 700 CD LYS B 94 17.719 9.510 -0.074 1.00 10.61 C ATOM 701 CE LYS B 94 17.461 9.307 -1.574 1.00 10.95 C ATOM 702 NZ LYS B 94 17.879 7.958 -2.056 1.00 13.12 N ATOM 703 N ILE B 95 21.157 8.672 4.536 1.00 10.24 N ATOM 704 CA ILE B 95 21.560 9.152 5.855 1.00 12.05 C ATOM 705 C ILE B 95 23.056 8.986 6.132 1.00 12.06 C ATOM 706 O ILE B 95 23.608 9.691 6.968 1.00 12.09 O ATOM 707 CB ILE B 95 20.781 8.451 7.011 1.00 13.28 C ATOM 708 CG1 ILE B 95 21.107 6.960 7.050 1.00 13.29 C ATOM 709 CG2 ILE B 95 19.286 8.671 6.848 1.00 14.67 C ATOM 710 CD1 ILE B 95 20.461 6.237 8.231 1.00 14.60 C ATOM 711 N VAL B 96 23.709 8.064 5.433 1.00 13.37 N ATOM 712 CA VAL B 96 25.135 7.827 5.656 1.00 14.28 C ATOM 713 C VAL B 96 26.056 8.687 4.794 1.00 15.99 C ATOM 714 O VAL B 96 27.276 8.657 4.962 1.00 15.52 O ATOM 715 CB VAL B 96 25.497 6.345 5.411 1.00 13.47 C ATOM 716 CG1 VAL B 96 24.597 5.446 6.247 1.00 14.14 C ATOM 717 CG2 VAL B 96 25.362 6.005 3.937 1.00 15.83 C ATOM 718 N GLU B 97 25.476 9.458 3.881 1.00 15.66 N ATOM 719 CA GLU B 97 26.267 10.293 2.982 1.00 16.71 C ATOM 720 C GLU B 97 26.991 11.442 3.684 1.00 16.41 C ATOM 721 O GLU B 97 26.387 12.223 4.420 1.00 16.49 O ATOM 722 CB GLU B 97 25.365 10.843 1.865 1.00 17.36 C ATOM 723 CG GLU B 97 24.337 11.873 2.326 1.00 20.98 C ATOM 724 CD GLU B 97 24.835 13.303 2.195 1.00 21.49 C ATOM 725 OE1 GLU B 97 24.206 14.213 2.776 1.00 24.39 O ATOM 726 OE2 GLU B 97 25.847 13.524 1.496 1.00 24.57 O ATOM 727 N GLY B 98 28.300 11.527 3.464 1.00 16.23 N ATOM 728 CA GLY B 98 29.082 12.598 4.056 1.00 16.14 C ATOM 729 C GLY B 98 29.173 12.638 5.569 1.00 18.24 C ATOM 730 O GLY B 98 29.328 13.712 6.145 1.00 18.25 O ATOM 731 N ILE B 99 29.077 11.485 6.224 1.00 18.10 N ATOM 732 CA ILE B 99 29.182 11.450 7.681 1.00 17.95 C ATOM 733 C ILE B 99 30.607 11.025 8.012 1.00 18.35 C ATOM 734 O ILE B 99 30.984 9.873 7.804 1.00 20.19 O ATOM 735 CB ILE B 99 28.186 10.447 8.305 1.00 17.37 C ATOM 736 CG1 ILE B 99 26.756 10.794 7.871 1.00 16.28 C ATOM 737 CG2 ILE B 99 28.303 10.475 9.828 1.00 14.94 C ATOM 738 CD1 ILE B 99 26.331 12.210 8.197 1.00 19.17 C ATOM 739 N SER B 100 31.394 11.963 8.524 1.00 17.26 N ATOM 740 CA SER B 100 32.788 11.685 8.846 1.00 19.15 C ATOM 741 C SER B 100 33.067 11.245 10.280 1.00 18.16 C ATOM 742 O SER B 100 34.198 10.887 10.598 1.00 17.83 O ATOM 743 CB SER B 100 33.645 12.907 8.502 1.00 19.56 C ATOM 744 OG SER B 100 33.114 14.085 9.083 1.00 23.60 O ATOM 745 N GLN B 101 32.056 11.266 11.146 1.00 16.18 N ATOM 746 CA GLN B 101 32.265 10.839 12.530 1.00 16.03 C ATOM 747 C GLN B 101 32.519 9.335 12.585 1.00 14.73 C ATOM 748 O GLN B 101 31.969 8.576 11.782 1.00 16.44 O ATOM 749 CB GLN B 101 31.054 11.193 13.409 1.00 15.81 C ATOM 750 CG GLN B 101 30.937 12.678 13.750 1.00 16.97 C ATOM 751 CD GLN B 101 30.085 13.461 12.764 1.00 18.12 C ATOM 752 OE1 GLN B 101 29.920 13.066 11.607 1.00 15.84 O ATOM 753 NE2 GLN B 101 29.545 14.587 13.220 1.00 19.67 N ATOM 754 N PRO B 102 33.366 8.883 13.528 1.00 12.83 N ATOM 755 CA PRO B 102 33.686 7.459 13.677 1.00 11.97 C ATOM 756 C PRO B 102 32.536 6.626 14.249 1.00 10.80 C ATOM 757 O PRO B 102 32.476 5.416 14.030 1.00 11.21 O ATOM 758 CB PRO B 102 34.910 7.474 14.593 1.00 12.83 C ATOM 759 CG PRO B 102 34.671 8.694 15.443 1.00 13.91 C ATOM 760 CD PRO B 102 34.221 9.702 14.408 1.00 12.99 C ATOM 761 N ILE B 103 31.640 7.270 14.990 1.00 10.62 N ATOM 762 CA ILE B 103 30.496 6.564 15.560 1.00 10.89 C ATOM 763 C ILE B 103 29.200 7.064 14.929 1.00 10.11 C ATOM 764 O ILE B 103 28.925 8.263 14.940 1.00 12.25 O ATOM 765 CB ILE B 103 30.361 6.780 17.086 1.00 11.72 C ATOM 766 CG1 ILE B 103 31.661 6.414 17.807 1.00 11.09 C ATOM 767 CG2 ILE B 103 29.209 5.924 17.614 1.00 11.37 C ATOM 768 CD1 ILE B 103 32.067 4.969 17.657 1.00 13.27 C ATOM 769 N TRP B 104 28.410 6.144 14.380 1.00 11.26 N ATOM 770 CA TRP B 104 27.132 6.505 13.773 1.00 12.64 C ATOM 771 C TRP B 104 26.009 5.933 14.618 1.00 12.14 C ATOM 772 O TRP B 104 26.009 4.748 14.939 1.00 11.55 O ATOM 773 CB TRP B 104 26.984 5.922 12.364 1.00 11.82 C ATOM 774 CG TRP B 104 27.930 6.436 11.337 1.00 14.11 C ATOM 775 CD1 TRP B 104 28.910 7.370 11.507 1.00 14.84 C ATOM 776 CD2 TRP B 104 28.007 6.016 9.971 1.00 14.97 C ATOM 777 NE1 TRP B 104 29.595 7.557 10.329 1.00 15.14 N ATOM 778 CE2 TRP B 104 29.059 6.738 9.367 1.00 15.39 C ATOM 779 CE3 TRP B 104 27.285 5.096 9.193 1.00 15.05 C ATOM 780 CZ2 TRP B 104 29.414 6.571 8.025 1.00 15.90 C ATOM 781 CZ3 TRP B 104 27.635 4.927 7.860 1.00 15.52 C ATOM 782 CH2 TRP B 104 28.692 5.665 7.288 1.00 14.48 C ATOM 783 N LEU B 105 25.050 6.777 14.977 1.00 12.15 N ATOM 784 CA LEU B 105 23.908 6.324 15.756 1.00 13.10 C ATOM 785 C LEU B 105 22.651 6.508 14.919 1.00 9.76 C ATOM 786 O LEU B 105 22.150 7.619 14.802 1.00 9.83 O ATOM 787 CB LEU B 105 23.774 7.138 17.048 1.00 16.57 C ATOM 788 CG LEU B 105 24.274 6.541 18.364 1.00 23.01 C ATOM 789 CD1 LEU B 105 25.747 6.201 18.267 1.00 23.93 C ATOM 790 CD2 LEU B 105 24.020 7.534 19.491 1.00 23.00 C ATOM 791 N VAL B 106 22.164 5.432 14.308 1.00 10.70 N ATOM 792 CA VAL B 106 20.940 5.516 13.514 1.00 10.03 C ATOM 793 C VAL B 106 19.857 5.369 14.561 1.00 10.61 C ATOM 794 O VAL B 106 19.655 4.292 15.111 1.00 10.69 O ATOM 795 CB VAL B 106 20.847 4.381 12.482 1.00 11.68 C ATOM 796 CG1 VAL B 106 19.568 4.528 11.660 1.00 11.11 C ATOM 797 CG2 VAL B 106 22.072 4.417 11.575 1.00 8.65 C ATOM 798 N SER B 107 19.160 6.461 14.833 1.00 12.53 N ATOM 799 CA SER B 107 18.159 6.469 15.889 1.00 12.14 C ATOM 800 C SER B 107 16.789 5.886 15.593 1.00 12.27 C ATOM 801 O SER B 107 16.059 5.558 16.530 1.00 11.57 O ATOM 802 CB SER B 107 17.968 7.897 16.397 1.00 14.85 C ATOM 803 OG SER B 107 17.302 8.688 15.424 1.00 14.29 O ATOM 804 N ASP B 108 16.440 5.725 14.319 1.00 10.42 N ATOM 805 CA ASP B 108 15.101 5.241 14.003 1.00 9.74 C ATOM 806 C ASP B 108 14.897 4.096 13.020 1.00 10.31 C ATOM 807 O ASP B 108 14.050 4.202 12.126 1.00 11.44 O ATOM 808 CB ASP B 108 14.242 6.430 13.562 1.00 12.44 C ATOM 809 CG ASP B 108 14.761 7.087 12.287 1.00 13.88 C ATOM 810 OD1 ASP B 108 15.900 6.779 11.874 1.00 11.91 O ATOM 811 OD2 ASP B 108 14.031 7.918 11.703 1.00 13.41 O ATOM 812 N THR B 109 15.649 3.006 13.153 1.00 8.48 N ATOM 813 CA THR B 109 15.390 1.877 12.263 1.00 9.72 C ATOM 814 C THR B 109 14.031 1.375 12.752 1.00 10.02 C ATOM 815 O THR B 109 13.733 1.448 13.946 1.00 9.78 O ATOM 816 CB THR B 109 16.457 0.761 12.376 1.00 11.48 C ATOM 817 OG1 THR B 109 16.513 0.254 13.715 1.00 11.23 O ATOM 818 CG2 THR B 109 17.815 1.306 11.986 1.00 9.58 C ATOM 819 N ARG B 110 13.202 0.891 11.836 1.00 9.91 N ATOM 820 CA ARG B 110 11.860 0.435 12.195 1.00 10.82 C ATOM 821 C ARG B 110 11.477 -0.900 11.590 1.00 12.42 C ATOM 822 O ARG B 110 10.528 -1.544 12.042 1.00 10.21 O ATOM 823 CB ARG B 110 10.831 1.473 11.747 1.00 12.27 C ATOM 824 CG ARG B 110 10.806 2.757 12.569 1.00 11.85 C ATOM 825 CD ARG B 110 9.919 3.781 11.887 1.00 12.54 C ATOM 826 NE ARG B 110 9.849 5.054 12.601 1.00 12.76 N ATOM 827 CZ ARG B 110 9.121 5.268 13.694 1.00 14.53 C ATOM 828 NH1 ARG B 110 8.390 4.291 14.214 1.00 14.46 N ATOM 829 NH2 ARG B 110 9.114 6.467 14.259 1.00 14.65 N ATOM 830 N ARG B 111 12.214 -1.315 10.567 1.00 11.40 N ATOM 831 CA ARG B 111 11.910 -2.560 9.883 1.00 11.03 C ATOM 832 C ARG B 111 13.112 -3.489 9.798 1.00 10.41 C ATOM 833 O ARG B 111 14.258 -3.056 9.919 1.00 10.74 O ATOM 834 CB ARG B 111 11.371 -2.237 8.484 1.00 13.22 C ATOM 835 CG ARG B 111 10.119 -1.354 8.515 1.00 16.46 C ATOM 836 CD ARG B 111 9.650 -0.956 7.123 1.00 19.04 C ATOM 837 NE ARG B 111 8.370 -0.248 7.162 1.00 20.20 N ATOM 838 CZ ARG B 111 8.199 0.993 7.615 1.00 21.54 C ATOM 839 NH1 ARG B 111 9.227 1.697 8.072 1.00 19.24 N ATOM 840 NH2 ARG B 111 6.984 1.529 7.630 1.00 21.70 N ATOM 841 N VAL B 112 12.848 -4.774 9.600 1.00 9.94 N ATOM 842 CA VAL B 112 13.919 -5.752 9.511 1.00 10.43 C ATOM 843 C VAL B 112 14.858 -5.420 8.350 1.00 11.72 C ATOM 844 O VAL B 112 16.070 -5.608 8.457 1.00 10.94 O ATOM 845 CB VAL B 112 13.358 -7.178 9.336 1.00 11.72 C ATOM 846 CG1 VAL B 112 14.494 -8.166 9.088 1.00 12.78 C ATOM 847 CG2 VAL B 112 12.588 -7.583 10.590 1.00 12.87 C ATOM 848 N SER B 113 14.298 -4.907 7.257 1.00 11.15 N ATOM 849 CA SER B 113 15.108 -4.554 6.097 1.00 11.74 C ATOM 850 C SER B 113 16.158 -3.487 6.418 1.00 11.19 C ATOM 851 O SER B 113 17.231 -3.486 5.816 1.00 10.65 O ATOM 852 CB SER B 113 14.221 -4.095 4.928 1.00 10.83 C ATOM 853 OG SER B 113 13.454 -2.956 5.263 1.00 11.31 O ATOM 854 N ASP B 114 15.860 -2.585 7.356 1.00 8.52 N ATOM 855 CA ASP B 114 16.822 -1.547 7.738 1.00 9.54 C ATOM 856 C ASP B 114 18.030 -2.209 8.387 1.00 10.95 C ATOM 857 O ASP B 114 19.174 -1.833 8.132 1.00 9.17 O ATOM 858 CB ASP B 114 16.234 -0.560 8.760 1.00 10.49 C ATOM 859 CG ASP B 114 15.073 0.243 8.214 1.00 12.04 C ATOM 860 OD1 ASP B 114 15.067 0.564 7.006 1.00 12.08 O ATOM 861 OD2 ASP B 114 14.172 0.573 9.014 1.00 11.55 O ATOM 862 N ILE B 115 17.768 -3.181 9.256 1.00 9.81 N ATOM 863 CA ILE B 115 18.853 -3.874 9.935 1.00 10.81 C ATOM 864 C ILE B 115 19.639 -4.731 8.938 1.00 12.31 C ATOM 865 O ILE B 115 20.874 -4.720 8.929 1.00 12.01 O ATOM 866 CB ILE B 115 18.313 -4.759 11.088 1.00 8.84 C ATOM 867 CG1 ILE B 115 17.736 -3.863 12.191 1.00 9.82 C ATOM 868 CG2 ILE B 115 19.422 -5.659 11.630 1.00 11.23 C ATOM 869 CD1 ILE B 115 17.209 -4.624 13.404 1.00 11.52 C ATOM 870 N GLN B 116 18.924 -5.455 8.086 1.00 12.27 N ATOM 871 CA GLN B 116 19.576 -6.311 7.099 1.00 14.02 C ATOM 872 C GLN B 116 20.454 -5.513 6.141 1.00 13.02 C ATOM 873 O GLN B 116 21.550 -5.951 5.789 1.00 12.90 O ATOM 874 CB GLN B 116 18.533 -7.097 6.305 1.00 14.86 C ATOM 875 CG GLN B 116 17.711 -8.047 7.150 1.00 20.12 C ATOM 876 CD GLN B 116 16.708 -8.830 6.334 1.00 20.60 C ATOM 877 OE1 GLN B 116 15.954 -8.261 5.543 1.00 25.95 O ATOM 878 NE2 GLN B 116 16.685 -10.142 6.526 1.00 23.31 N ATOM 879 N TRP B 117 19.979 -4.344 5.720 1.00 12.15 N ATOM 880 CA TRP B 117 20.764 -3.514 4.807 1.00 11.02 C ATOM 881 C TRP B 117 22.066 -3.063 5.472 1.00 10.80 C ATOM 882 O TRP B 117 23.147 -3.165 4.886 1.00 10.40 O ATOM 883 CB TRP B 117 19.974 -2.276 4.372 1.00 11.03 C ATOM 884 CG TRP B 117 20.684 -1.476 3.304 1.00 10.03 C ATOM 885 CD1 TRP B 117 20.580 -1.645 1.951 1.00 12.03 C ATOM 886 CD2 TRP B 117 21.640 -0.423 3.503 1.00 11.82 C ATOM 887 NE1 TRP B 117 21.415 -0.765 1.296 1.00 11.63 N ATOM 888 CE2 TRP B 117 22.077 -0.005 2.224 1.00 11.36 C ATOM 889 CE3 TRP B 117 22.178 0.202 4.636 1.00 10.26 C ATOM 890 CZ2 TRP B 117 23.021 1.014 2.046 1.00 11.96 C ATOM 891 CZ3 TRP B 117 23.120 1.216 4.461 1.00 10.80 C ATOM 892 CH2 TRP B 117 23.533 1.609 3.171 1.00 12.14 C ATOM 893 N PHE B 118 21.970 -2.554 6.695 1.00 10.56 N ATOM 894 CA PHE B 118 23.164 -2.096 7.395 1.00 10.26 C ATOM 895 C PHE B 118 24.129 -3.230 7.727 1.00 12.20 C ATOM 896 O PHE B 118 25.346 -3.055 7.655 1.00 10.04 O ATOM 897 CB PHE B 118 22.774 -1.336 8.669 1.00 9.10 C ATOM 898 CG PHE B 118 22.650 0.147 8.466 1.00 8.91 C ATOM 899 CD1 PHE B 118 23.787 0.953 8.399 1.00 9.72 C ATOM 900 CD2 PHE B 118 21.401 0.737 8.313 1.00 8.42 C ATOM 901 CE1 PHE B 118 23.674 2.326 8.183 1.00 8.53 C ATOM 902 CE2 PHE B 118 21.277 2.110 8.096 1.00 7.76 C ATOM 903 CZ PHE B 118 22.411 2.906 8.031 1.00 8.21 C ATOM 904 N ARG B 119 23.600 -4.395 8.089 1.00 12.35 N ATOM 905 CA ARG B 119 24.474 -5.521 8.404 1.00 14.84 C ATOM 906 C ARG B 119 25.208 -6.019 7.158 1.00 16.74 C ATOM 907 O ARG B 119 26.331 -6.513 7.245 1.00 15.99 O ATOM 908 CB ARG B 119 23.676 -6.661 9.051 1.00 16.90 C ATOM 909 CG ARG B 119 23.385 -6.411 10.524 1.00 18.06 C ATOM 910 CD ARG B 119 22.659 -7.562 11.199 1.00 18.82 C ATOM 911 NE ARG B 119 22.630 -7.372 12.649 1.00 20.91 N ATOM 912 CZ ARG B 119 21.906 -8.104 13.492 1.00 22.56 C ATOM 913 NH1 ARG B 119 21.139 -9.083 13.035 1.00 21.37 N ATOM 914 NH2 ARG B 119 21.955 -7.858 14.795 1.00 21.89 N ATOM 915 N GLU B 120 24.585 -5.876 5.995 1.00 14.98 N ATOM 916 CA GLU B 120 25.224 -6.323 4.765 1.00 16.22 C ATOM 917 C GLU B 120 26.233 -5.289 4.266 1.00 16.00 C ATOM 918 O GLU B 120 27.323 -5.644 3.811 1.00 18.23 O ATOM 919 CB GLU B 120 24.170 -6.583 3.682 1.00 16.97 C ATOM 920 CG GLU B 120 24.711 -7.285 2.443 1.00 19.50 C ATOM 921 CD GLU B 120 25.104 -8.728 2.715 1.00 19.16 C ATOM 922 OE1 GLU B 120 24.225 -9.521 3.100 1.00 23.30 O ATOM 923 OE2 GLU B 120 26.287 -9.076 2.541 1.00 20.35 O ATOM 924 N ALA B 121 25.879 -4.012 4.372 1.00 14.92 N ATOM 925 CA ALA B 121 26.750 -2.937 3.905 1.00 14.69 C ATOM 926 C ALA B 121 27.934 -2.628 4.821 1.00 17.03 C ATOM 927 O ALA B 121 29.020 -2.297 4.346 1.00 17.17 O ATOM 928 CB ALA B 121 25.932 -1.671 3.681 1.00 15.48 C ATOM 929 N TYR B 122 27.734 -2.741 6.130 1.00 17.45 N ATOM 930 CA TYR B 122 28.804 -2.437 7.073 1.00 19.14 C ATOM 931 C TYR B 122 29.198 -3.605 7.972 1.00 21.91 C ATOM 932 O TYR B 122 30.210 -3.542 8.673 1.00 25.36 O ATOM 933 CB TYR B 122 28.394 -1.223 7.906 1.00 18.59 C ATOM 934 CG TYR B 122 28.286 0.034 7.073 1.00 20.03 C ATOM 935 CD1 TYR B 122 29.417 0.793 6.775 1.00 18.14 C ATOM 936 CD2 TYR B 122 27.061 0.441 6.542 1.00 19.20 C ATOM 937 CE1 TYR B 122 29.330 1.926 5.969 1.00 20.70 C ATOM 938 CE2 TYR B 122 26.964 1.566 5.739 1.00 19.17 C ATOM 939 CZ TYR B 122 28.100 2.304 5.456 1.00 19.08 C ATOM 940 OH TYR B 122 28.004 3.418 4.659 1.00 23.01 O ATOM 941 N GLY B 123 28.400 -4.667 7.926 1.00 21.58 N ATOM 942 CA GLY B 123 28.643 -5.865 8.713 1.00 24.35 C ATOM 943 C GLY B 123 29.537 -5.787 9.936 1.00 25.26 C ATOM 944 O GLY B 123 29.057 -5.690 11.061 1.00 26.36 O ATOM 945 N ALA B 124 30.843 -5.832 9.699 1.00 26.42 N ATOM 946 CA ALA B 124 31.853 -5.806 10.750 1.00 27.08 C ATOM 947 C ALA B 124 31.712 -4.769 11.863 1.00 25.82 C ATOM 948 O ALA B 124 32.129 -5.021 12.994 1.00 29.49 O ATOM 949 CB ALA B 124 33.236 -5.677 10.113 1.00 28.04 C ATOM 950 N VAL B 125 31.135 -3.613 11.566 1.00 21.93 N ATOM 951 CA VAL B 125 31.019 -2.576 12.586 1.00 18.01 C ATOM 952 C VAL B 125 29.603 -2.257 13.046 1.00 16.06 C ATOM 953 O VAL B 125 29.404 -1.299 13.787 1.00 13.15 O ATOM 954 CB VAL B 125 31.667 -1.251 12.111 1.00 17.85 C ATOM 955 CG1 VAL B 125 33.141 -1.475 11.794 1.00 17.92 C ATOM 956 CG2 VAL B 125 30.929 -0.710 10.891 1.00 16.24 C ATOM 957 N THR B 126 28.627 -3.052 12.619 1.00 15.57 N ATOM 958 CA THR B 126 27.237 -2.805 12.998 1.00 16.49 C ATOM 959 C THR B 126 26.807 -3.532 14.273 1.00 16.82 C ATOM 960 O THR B 126 27.153 -4.692 14.484 1.00 16.76 O ATOM 961 CB THR B 126 26.283 -3.204 11.845 1.00 19.56 C ATOM 962 OG1 THR B 126 26.530 -2.360 10.713 1.00 19.87 O ATOM 963 CG2 THR B 126 24.825 -3.059 12.266 1.00 21.25 C ATOM 964 N GLN B 127 26.056 -2.826 15.115 1.00 15.78 N ATOM 965 CA GLN B 127 25.522 -3.362 16.368 1.00 15.47 C ATOM 966 C GLN B 127 24.086 -2.847 16.475 1.00 14.93 C ATOM 967 O GLN B 127 23.848 -1.656 16.302 1.00 15.55 O ATOM 968 CB GLN B 127 26.321 -2.845 17.568 1.00 18.64 C ATOM 969 CG GLN B 127 27.737 -3.385 17.705 1.00 21.12 C ATOM 970 CD GLN B 127 27.774 -4.793 18.262 1.00 22.90 C ATOM 971 OE1 GLN B 127 28.063 -5.749 17.544 1.00 26.24 O ATOM 972 NE2 GLN B 127 27.475 -4.928 19.547 1.00 19.01 N ATOM 973 N THR B 128 23.129 -3.726 16.753 1.00 13.38 N ATOM 974 CA THR B 128 21.743 -3.278 16.871 1.00 11.53 C ATOM 975 C THR B 128 21.341 -3.173 18.335 1.00 10.67 C ATOM 976 O THR B 128 21.660 -4.049 19.137 1.00 9.09 O ATOM 977 CB THR B 128 20.771 -4.237 16.167 1.00 13.95 C ATOM 978 OG1 THR B 128 20.907 -5.553 16.722 1.00 15.13 O ATOM 979 CG2 THR B 128 21.058 -4.275 14.669 1.00 14.72 C ATOM 980 N VAL B 129 20.644 -2.095 18.670 1.00 8.05 N ATOM 981 CA VAL B 129 20.198 -1.872 20.038 1.00 8.13 C ATOM 982 C VAL B 129 18.697 -1.606 20.066 1.00 7.51 C ATOM 983 O VAL B 129 18.206 -0.682 19.428 1.00 8.80 O ATOM 984 CB VAL B 129 20.932 -0.674 20.666 1.00 8.90 C ATOM 985 CG1 VAL B 129 20.603 -0.578 22.156 1.00 9.62 C ATOM 986 CG2 VAL B 129 22.432 -0.829 20.463 1.00 10.99 C ATOM 987 N ARG B 130 17.971 -2.431 20.811 1.00 8.59 N ATOM 988 CA ARG B 130 16.527 -2.277 20.919 1.00 8.79 C ATOM 989 C ARG B 130 16.179 -1.611 22.243 1.00 9.95 C ATOM 990 O ARG B 130 16.709 -1.988 23.283 1.00 9.76 O ATOM 991 CB ARG B 130 15.850 -3.647 20.857 1.00 7.31 C ATOM 992 CG ARG B 130 14.329 -3.611 20.960 1.00 9.23 C ATOM 993 CD ARG B 130 13.714 -2.909 19.756 1.00 9.05 C ATOM 994 NE ARG B 130 12.272 -3.122 19.680 1.00 8.08 N ATOM 995 CZ ARG B 130 11.506 -2.667 18.694 1.00 10.20 C ATOM 996 NH1 ARG B 130 12.050 -1.974 17.703 1.00 8.21 N ATOM 997 NH2 ARG B 130 10.201 -2.897 18.703 1.00 11.18 N ATOM 998 N VAL B 131 15.301 -0.613 22.194 1.00 7.54 N ATOM 999 CA VAL B 131 14.860 0.060 23.404 1.00 8.94 C ATOM 1000 C VAL B 131 13.440 -0.418 23.636 1.00 8.22 C ATOM 1001 O VAL B 131 12.601 -0.351 22.737 1.00 8.48 O ATOM 1002 CB VAL B 131 14.839 1.594 23.247 1.00 10.77 C ATOM 1003 CG1 VAL B 131 14.263 2.243 24.516 1.00 8.53 C ATOM 1004 CG2 VAL B 131 16.256 2.101 22.993 1.00 9.90 C ATOM 1005 N VAL B 132 13.185 -0.938 24.830 1.00 9.25 N ATOM 1006 CA VAL B 132 11.856 -1.413 25.183 1.00 10.62 C ATOM 1007 C VAL B 132 11.535 -0.804 26.541 1.00 9.75 C ATOM 1008 O VAL B 132 12.423 -0.628 27.368 1.00 10.53 O ATOM 1009 CB VAL B 132 11.813 -2.957 25.281 1.00 11.51 C ATOM 1010 CG1 VAL B 132 12.737 -3.443 26.393 1.00 13.78 C ATOM 1011 CG2 VAL B 132 10.387 -3.418 25.530 1.00 14.79 C ATOM 1012 N VAL B 133 10.278 -0.458 26.768 1.00 9.48 N ATOM 1013 CA VAL B 133 9.919 0.132 28.050 1.00 7.28 C ATOM 1014 C VAL B 133 8.802 -0.645 28.707 1.00 7.33 C ATOM 1015 O VAL B 133 7.955 -1.215 28.025 1.00 6.90 O ATOM 1016 CB VAL B 133 9.475 1.575 27.878 1.00 0.00 C ATOM 1017 CG1 VAL B 133 10.623 2.407 27.318 1.00 0.00 C ATOM 1018 CG2 VAL B 133 8.292 1.627 26.916 1.00 0.00 C ATOM 1019 N LEU B 134 8.811 -0.670 30.036 1.00 7.19 N ATOM 1020 CA LEU B 134 7.756 -1.343 30.781 1.00 8.84 C ATOM 1021 C LEU B 134 6.470 -0.620 30.390 1.00 9.43 C ATOM 1022 O LEU B 134 6.458 0.602 30.226 1.00 9.42 O ATOM 1023 CB LEU B 134 8.005 -1.210 32.286 1.00 9.59 C ATOM 1024 CG LEU B 134 9.342 -1.773 32.775 1.00 11.43 C ATOM 1025 CD1 LEU B 134 9.462 -1.603 34.286 1.00 12.72 C ATOM 1026 CD2 LEU B 134 9.443 -3.242 32.400 1.00 13.48 C ATOM 1027 N GLU B 135 5.385 -1.366 30.245 1.00 9.64 N ATOM 1028 CA GLU B 135 4.130 -0.763 29.827 1.00 10.31 C ATOM 1029 C GLU B 135 3.670 0.428 30.665 1.00 10.73 C ATOM 1030 O GLU B 135 3.168 1.412 30.116 1.00 8.82 O ATOM 1031 CB GLU B 135 3.037 -1.832 29.775 1.00 12.65 C ATOM 1032 CG GLU B 135 1.713 -1.336 29.241 1.00 15.25 C ATOM 1033 CD GLU B 135 0.887 -2.447 28.622 1.00 17.49 C ATOM 1034 OE1 GLU B 135 -0.344 -2.278 28.500 1.00 18.78 O ATOM 1035 OE2 GLU B 135 1.472 -3.485 28.243 1.00 18.67 O ATOM 1036 N GLN B 136 3.838 0.354 31.982 1.00 10.41 N ATOM 1037 CA GLN B 136 3.420 1.457 32.841 1.00 11.59 C ATOM 1038 C GLN B 136 4.231 2.731 32.598 1.00 11.36 C ATOM 1039 O GLN B 136 3.727 3.835 32.799 1.00 10.54 O ATOM 1040 CB GLN B 136 3.491 1.040 34.312 1.00 15.04 C ATOM 1041 CG GLN B 136 2.394 0.058 34.705 1.00 20.26 C ATOM 1042 CD GLN B 136 2.459 -0.335 36.167 1.00 23.66 C ATOM 1043 OE1 GLN B 136 3.426 -0.952 36.614 1.00 27.20 O ATOM 1044 NE2 GLN B 136 1.427 0.025 36.922 1.00 27.29 N ATOM 1045 N SER B 137 5.481 2.576 32.159 1.00 9.38 N ATOM 1046 CA SER B 137 6.334 3.721 31.870 1.00 10.88 C ATOM 1047 C SER B 137 5.774 4.432 30.644 1.00 10.01 C ATOM 1048 O SER B 137 5.769 5.661 30.566 1.00 9.34 O ATOM 1049 CB SER B 137 7.774 3.264 31.595 1.00 12.17 C ATOM 1050 OG SER B 137 8.596 4.370 31.247 1.00 17.36 O ATOM 1051 N ARG B 138 5.297 3.654 29.678 1.00 9.91 N ATOM 1052 CA ARG B 138 4.726 4.248 28.479 1.00 9.54 C ATOM 1053 C ARG B 138 3.423 4.951 28.858 1.00 9.08 C ATOM 1054 O ARG B 138 3.124 6.035 28.360 1.00 7.17 O ATOM 1055 CB ARG B 138 4.473 3.170 27.422 1.00 10.06 C ATOM 1056 CG ARG B 138 5.726 2.388 27.029 1.00 8.47 C ATOM 1057 CD ARG B 138 5.421 1.397 25.908 1.00 10.61 C ATOM 1058 NE ARG B 138 5.238 2.076 24.629 1.00 9.97 N ATOM 1059 CZ ARG B 138 4.604 1.559 23.582 1.00 10.18 C ATOM 1060 NH1 ARG B 138 4.068 0.347 23.652 1.00 11.75 N ATOM 1061 NH2 ARG B 138 4.529 2.251 22.452 1.00 10.02 N ATOM 1062 N GLN B 139 2.659 4.336 29.757 1.00 9.55 N ATOM 1063 CA GLN B 139 1.401 4.929 30.201 1.00 10.74 C ATOM 1064 C GLN B 139 1.626 6.271 30.893 1.00 10.51 C ATOM 1065 O GLN B 139 0.848 7.212 30.709 1.00 10.14 O ATOM 1066 CB GLN B 139 0.673 3.990 31.165 1.00 13.42 C ATOM 1067 CG GLN B 139 0.058 2.771 30.519 1.00 20.95 C ATOM 1068 CD GLN B 139 -0.713 1.936 31.521 1.00 22.64 C ATOM 1069 OE1 GLN B 139 -0.147 1.436 32.492 1.00 25.25 O ATOM 1070 NE2 GLN B 139 -2.015 1.788 31.296 1.00 26.12 N ATOM 1071 N GLN B 140 2.688 6.355 31.692 1.00 9.83 N ATOM 1072 CA GLN B 140 3.012 7.591 32.410 1.00 9.78 C ATOM 1073 C GLN B 140 3.272 8.709 31.410 1.00 9.84 C ATOM 1074 O GLN B 140 2.985 9.878 31.681 1.00 8.46 O ATOM 1075 CB GLN B 140 4.264 7.409 33.276 1.00 11.78 C ATOM 1076 CG GLN B 140 4.152 6.376 34.388 1.00 13.66 C ATOM 1077 CD GLN B 140 5.492 6.123 35.058 1.00 16.16 C ATOM 1078 OE1 GLN B 140 6.507 5.956 34.381 1.00 16.10 O ATOM 1079 NE2 GLN B 140 5.502 6.089 36.386 1.00 17.82 N ATOM 1080 N ARG B 141 3.824 8.333 30.256 1.00 9.62 N ATOM 1081 CA ARG B 141 4.141 9.269 29.177 1.00 11.01 C ATOM 1082 C ARG B 141 2.892 9.642 28.385 1.00 14.31 C ATOM 1083 O ARG B 141 2.959 10.423 27.433 1.00 14.19 O ATOM 1084 CB ARG B 141 5.171 8.644 28.222 1.00 12.67 C ATOM 1085 CG ARG B 141 6.581 8.470 28.795 1.00 14.28 C ATOM 1086 CD ARG B 141 7.355 9.784 28.785 1.00 14.58 C ATOM 1087 NE ARG B 141 7.439 10.350 27.439 1.00 13.99 N ATOM 1088 CZ ARG B 141 8.235 9.895 26.473 1.00 13.36 C ATOM 1089 NH1 ARG B 141 9.039 8.860 26.689 1.00 11.93 N ATOM 1090 NH2 ARG B 141 8.214 10.470 25.278 1.00 10.14 N ATOM 1091 N GLY B 142 1.754 9.075 28.773 1.00 13.93 N ATOM 1092 CA GLY B 142 0.515 9.379 28.083 1.00 12.52 C ATOM 1093 C GLY B 142 0.170 8.427 26.954 1.00 13.22 C ATOM 1094 O GLY B 142 -0.711 8.713 26.143 1.00 13.95 O ATOM 1095 N TRP B 143 0.845 7.285 26.905 1.00 12.93 N ATOM 1096 CA TRP B 143 0.585 6.309 25.855 1.00 13.57 C ATOM 1097 C TRP B 143 -0.728 5.551 26.036 1.00 14.52 C ATOM 1098 O TRP B 143 -1.053 5.097 27.132 1.00 14.25 O ATOM 1099 CB TRP B 143 1.723 5.288 25.780 1.00 15.57 C ATOM 1100 CG TRP B 143 1.510 4.257 24.707 1.00 13.89 C ATOM 1101 CD1 TRP B 143 1.735 4.409 23.364 1.00 14.68 C ATOM 1102 CD2 TRP B 143 0.974 2.940 24.877 1.00 15.35 C ATOM 1103 NE1 TRP B 143 1.373 3.266 22.692 1.00 13.57 N ATOM 1104 CE2 TRP B 143 0.903 2.347 23.595 1.00 14.41 C ATOM 1105 CE3 TRP B 143 0.547 2.199 25.988 1.00 17.59 C ATOM 1106 CZ2 TRP B 143 0.418 1.053 23.392 1.00 18.49 C ATOM 1107 CZ3 TRP B 143 0.062 0.905 25.784 1.00 20.57 C ATOM 1108 CH2 TRP B 143 0.006 0.349 24.494 1.00 17.86 C ATOM 1109 N VAL B 144 -1.471 5.417 24.942 1.00 15.38 N ATOM 1110 CA VAL B 144 -2.730 4.678 24.924 1.00 17.64 C ATOM 1111 C VAL B 144 -2.767 3.957 23.579 1.00 15.66 C ATOM 1112 O VAL B 144 -2.546 4.580 22.543 1.00 15.50 O ATOM 1113 CB VAL B 144 -3.956 5.614 25.012 1.00 18.52 C ATOM 1114 CG1 VAL B 144 -5.233 4.785 25.087 1.00 19.86 C ATOM 1115 CG2 VAL B 144 -3.831 6.531 26.222 1.00 16.57 C ATOM 1116 N PHE B 145 -3.031 2.653 23.585 1.00 16.67 N ATOM 1117 CA PHE B 145 -3.070 1.910 22.327 1.00 18.81 C ATOM 1118 C PHE B 145 -3.952 2.654 21.336 1.00 20.64 C ATOM 1119 O PHE B 145 -5.117 2.949 21.623 1.00 20.21 O ATOM 1120 CB PHE B 145 -3.615 0.498 22.527 1.00 20.88 C ATOM 1121 CG PHE B 145 -3.473 -0.368 21.311 1.00 23.09 C ATOM 1122 CD1 PHE B 145 -2.259 -0.979 21.018 1.00 24.13 C ATOM 1123 CD2 PHE B 145 -4.535 -0.530 20.427 1.00 24.98 C ATOM 1124 CE1 PHE B 145 -2.103 -1.739 19.860 1.00 26.09 C ATOM 1125 CE2 PHE B 145 -4.389 -1.287 19.267 1.00 26.41 C ATOM 1126 CZ PHE B 145 -3.171 -1.892 18.983 1.00 26.29 C ATOM 1127 N THR B 146 -3.397 2.945 20.165 1.00 19.74 N ATOM 1128 CA THR B 146 -4.119 3.687 19.144 1.00 20.20 C ATOM 1129 C THR B 146 -4.165 2.972 17.801 1.00 20.94 C ATOM 1130 O THR B 146 -3.148 2.865 17.110 1.00 20.50 O ATOM 1131 CB THR B 146 -3.475 5.071 18.939 1.00 21.03 C ATOM 1132 OG1 THR B 146 -3.458 5.773 20.188 1.00 20.10 O ATOM 1133 CG2 THR B 146 -4.248 5.881 17.912 1.00 23.03 C ATOM 1134 N PRO B 147 -5.349 2.466 17.413 1.00 20.39 N ATOM 1135 CA PRO B 147 -5.500 1.768 16.134 1.00 19.35 C ATOM 1136 C PRO B 147 -5.008 2.668 15.006 1.00 18.51 C ATOM 1137 O PRO B 147 -5.294 3.865 14.994 1.00 18.48 O ATOM 1138 CB PRO B 147 -7.005 1.515 16.058 1.00 20.39 C ATOM 1139 CG PRO B 147 -7.373 1.308 17.496 1.00 21.38 C ATOM 1140 CD PRO B 147 -6.605 2.422 18.186 1.00 21.30 C ATOM 1141 N GLY B 148 -4.261 2.097 14.066 1.00 18.90 N ATOM 1142 CA GLY B 148 -3.747 2.888 12.965 1.00 19.10 C ATOM 1143 C GLY B 148 -2.355 3.428 13.237 1.00 20.13 C ATOM 1144 O GLY B 148 -1.712 3.991 12.350 1.00 22.68 O ATOM 1145 N VAL B 149 -1.894 3.267 14.474 1.00 19.87 N ATOM 1146 CA VAL B 149 -0.568 3.724 14.867 1.00 18.65 C ATOM 1147 C VAL B 149 0.189 2.601 15.561 1.00 18.00 C ATOM 1148 O VAL B 149 1.203 2.125 15.059 1.00 16.34 O ATOM 1149 CB VAL B 149 -0.637 4.940 15.833 1.00 19.27 C ATOM 1150 CG1 VAL B 149 0.757 5.259 16.373 1.00 19.49 C ATOM 1151 CG2 VAL B 149 -1.200 6.155 15.108 1.00 19.71 C ATOM 1152 N ASP B 150 -0.324 2.166 16.708 1.00 15.96 N ATOM 1153 CA ASP B 150 0.329 1.121 17.484 1.00 16.55 C ATOM 1154 C ASP B 150 0.237 -0.277 16.901 1.00 16.20 C ATOM 1155 O ASP B 150 0.880 -1.201 17.398 1.00 15.40 O ATOM 1156 CB ASP B 150 -0.195 1.145 18.920 1.00 17.06 C ATOM 1157 CG ASP B 150 0.146 2.439 19.627 1.00 19.39 C ATOM 1158 OD1 ASP B 150 1.353 2.723 19.781 1.00 17.44 O ATOM 1159 OD2 ASP B 150 -0.784 3.178 20.015 1.00 19.76 O ATOM 1160 N ASP B 151 -0.562 -0.439 15.851 1.00 15.97 N ATOM 1161 CA ASP B 151 -0.669 -1.735 15.196 1.00 17.12 C ATOM 1162 C ASP B 151 -0.170 -1.623 13.755 1.00 17.59 C ATOM 1163 O ASP B 151 -0.330 -2.546 12.956 1.00 18.80 O ATOM 1164 CB ASP B 151 -2.114 -2.258 15.229 1.00 18.78 C ATOM 1165 CG ASP B 151 -3.120 -1.243 14.731 1.00 19.44 C ATOM 1166 OD1 ASP B 151 -2.705 -0.188 14.210 1.00 19.79 O ATOM 1167 OD2 ASP B 151 -4.337 -1.505 14.856 1.00 22.57 O ATOM 1168 N ALA B 152 0.453 -0.490 13.437 1.00 16.72 N ATOM 1169 CA ALA B 152 0.988 -0.253 12.096 1.00 15.54 C ATOM 1170 C ALA B 152 2.436 -0.739 12.006 1.00 15.75 C ATOM 1171 O ALA B 152 3.127 -0.841 13.025 1.00 14.08 O ATOM 1172 CB ALA B 152 0.913 1.222 11.759 1.00 17.97 C ATOM 1173 N GLU B 153 2.898 -1.027 10.790 1.00 14.54 N ATOM 1174 CA GLU B 153 4.264 -1.514 10.597 1.00 15.38 C ATOM 1175 C GLU B 153 5.339 -0.556 11.101 1.00 14.02 C ATOM 1176 O GLU B 153 6.410 -0.988 11.530 1.00 13.61 O ATOM 1177 CB GLU B 153 4.536 -1.828 9.121 1.00 19.00 C ATOM 1178 CG GLU B 153 5.946 -2.383 8.903 1.00 24.58 C ATOM 1179 CD GLU B 153 6.268 -2.691 7.456 1.00 28.54 C ATOM 1180 OE1 GLU B 153 6.209 -1.767 6.619 1.00 29.78 O ATOM 1181 OE2 GLU B 153 6.592 -3.863 7.161 1.00 31.00 O ATOM 1182 N SER B 154 5.067 0.741 11.044 1.00 14.01 N ATOM 1183 CA SER B 154 6.035 1.730 11.505 1.00 15.54 C ATOM 1184 C SER B 154 6.420 1.469 12.968 1.00 15.33 C ATOM 1185 O SER B 154 7.562 1.704 13.376 1.00 12.61 O ATOM 1186 CB SER B 154 5.448 3.138 11.356 1.00 18.03 C ATOM 1187 OG SER B 154 6.439 4.133 11.548 1.00 22.41 O ATOM 1188 N GLU B 155 5.460 0.971 13.746 1.00 12.57 N ATOM 1189 CA GLU B 155 5.677 0.675 15.159 1.00 12.12 C ATOM 1190 C GLU B 155 5.888 -0.802 15.486 1.00 11.77 C ATOM 1191 O GLU B 155 6.451 -1.125 16.532 1.00 12.06 O ATOM 1192 CB GLU B 155 4.493 1.182 15.988 1.00 11.47 C ATOM 1193 CG GLU B 155 4.425 2.687 16.129 1.00 13.23 C ATOM 1194 CD GLU B 155 5.519 3.229 17.024 1.00 12.34 C ATOM 1195 OE1 GLU B 155 5.578 2.813 18.202 1.00 11.47 O ATOM 1196 OE2 GLU B 155 6.314 4.067 16.557 1.00 14.61 O ATOM 1197 N CYS B 156 5.445 -1.694 14.602 1.00 11.74 N ATOM 1198 CA CYS B 156 5.554 -3.133 14.852 1.00 11.86 C ATOM 1199 C CYS B 156 6.502 -3.898 13.931 1.00 11.94 C ATOM 1200 O CYS B 156 6.625 -5.118 14.051 1.00 10.65 O ATOM 1201 CB CYS B 156 4.167 -3.775 14.757 1.00 12.68 C ATOM 1202 SG CYS B 156 2.927 -2.996 15.810 1.00 12.31 S ATOM 1203 N GLY B 157 7.163 -3.189 13.021 1.00 11.72 N ATOM 1204 CA GLY B 157 8.068 -3.837 12.085 1.00 9.26 C ATOM 1205 C GLY B 157 9.165 -4.719 12.662 1.00 10.86 C ATOM 1206 O GLY B 157 9.674 -5.605 11.975 1.00 9.33 O ATOM 1207 N LEU B 158 9.537 -4.490 13.915 1.00 9.55 N ATOM 1208 CA LEU B 158 10.586 -5.291 14.534 1.00 10.43 C ATOM 1209 C LEU B 158 10.083 -6.113 15.716 1.00 11.38 C ATOM 1210 O LEU B 158 10.875 -6.646 16.490 1.00 10.32 O ATOM 1211 CB LEU B 158 11.734 -4.384 14.980 1.00 10.47 C ATOM 1212 CG LEU B 158 12.521 -3.756 13.825 1.00 9.34 C ATOM 1213 CD1 LEU B 158 13.378 -2.594 14.325 1.00 10.92 C ATOM 1214 CD2 LEU B 158 13.378 -4.834 13.180 1.00 8.24 C ATOM 1215 N ASP B 159 8.765 -6.226 15.837 1.00 12.26 N ATOM 1216 CA ASP B 159 8.163 -6.978 16.934 1.00 13.08 C ATOM 1217 C ASP B 159 8.454 -8.471 16.894 1.00 14.83 C ATOM 1218 O ASP B 159 8.450 -9.139 17.931 1.00 13.36 O ATOM 1219 CB ASP B 159 6.652 -6.753 16.950 1.00 12.05 C ATOM 1220 CG ASP B 159 6.281 -5.372 17.440 1.00 13.20 C ATOM 1221 OD1 ASP B 159 7.197 -4.542 17.636 1.00 13.02 O ATOM 1222 OD2 ASP B 159 5.076 -5.113 17.628 1.00 12.01 O ATOM 1223 N ASN B 160 8.708 -8.997 15.701 1.00 15.03 N ATOM 1224 CA ASN B 160 8.996 -10.418 15.559 1.00 17.33 C ATOM 1225 C ASN B 160 10.476 -10.676 15.327 1.00 15.77 C ATOM 1226 O ASN B 160 10.871 -11.759 14.894 1.00 16.64 O ATOM 1227 CB ASN B 160 8.175 -11.010 14.415 1.00 20.80 C ATOM 1228 CG ASN B 160 7.247 -12.102 14.884 1.00 28.14 C ATOM 1229 OD1 ASN B 160 7.693 -13.155 15.338 1.00 31.39 O ATOM 1230 ND2 ASN B 160 5.943 -11.856 14.790 1.00 31.55 N ATOM 1231 N PHE B 161 11.291 -9.670 15.618 1.00 15.19 N ATOM 1232 CA PHE B 161 12.736 -9.773 15.453 1.00 14.79 C ATOM 1233 C PHE B 161 13.366 -9.892 16.839 1.00 15.80 C ATOM 1234 O PHE B 161 13.046 -9.111 17.740 1.00 16.29 O ATOM 1235 CB PHE B 161 13.265 -8.518 14.751 1.00 14.93 C ATOM 1236 CG PHE B 161 14.727 -8.573 14.412 1.00 14.79 C ATOM 1237 CD1 PHE B 161 15.158 -9.169 13.229 1.00 14.54 C ATOM 1238 CD2 PHE B 161 15.673 -8.005 15.261 1.00 14.74 C ATOM 1239 CE1 PHE B 161 16.515 -9.193 12.894 1.00 15.36 C ATOM 1240 CE2 PHE B 161 17.031 -8.023 14.937 1.00 16.95 C ATOM 1241 CZ PHE B 161 17.452 -8.618 13.748 1.00 16.20 C ATOM 1242 N GLY B 162 14.258 -10.861 17.012 1.00 14.94 N ATOM 1243 CA GLY B 162 14.898 -11.029 18.304 1.00 17.40 C ATOM 1244 C GLY B 162 16.417 -11.069 18.272 1.00 17.81 C ATOM 1245 O GLY B 162 17.050 -11.184 19.321 1.00 17.56 O ATOM 1246 N ASP B 163 17.005 -10.964 17.081 1.00 16.82 N ATOM 1247 CA ASP B 163 18.461 -11.013 16.934 1.00 18.77 C ATOM 1248 C ASP B 163 19.186 -9.693 17.184 1.00 16.59 C ATOM 1249 O ASP B 163 20.111 -9.339 16.455 1.00 17.12 O ATOM 1250 CB ASP B 163 18.837 -11.531 15.542 1.00 22.94 C ATOM 1251 CG ASP B 163 18.447 -12.980 15.335 1.00 28.89 C ATOM 1252 OD1 ASP B 163 18.849 -13.824 16.164 1.00 33.00 O ATOM 1253 OD2 ASP B 163 17.747 -13.277 14.344 1.00 34.54 O ATOM 1254 N PHE B 164 18.769 -8.967 18.213 1.00 13.91 N ATOM 1255 CA PHE B 164 19.410 -7.706 18.549 1.00 12.62 C ATOM 1256 C PHE B 164 20.723 -8.020 19.251 1.00 10.68 C ATOM 1257 O PHE B 164 20.871 -9.079 19.853 1.00 11.72 O ATOM 1258 CB PHE B 164 18.530 -6.893 19.504 1.00 11.64 C ATOM 1259 CG PHE B 164 17.211 -6.486 18.921 1.00 9.91 C ATOM 1260 CD1 PHE B 164 17.145 -5.519 17.924 1.00 12.05 C ATOM 1261 CD2 PHE B 164 16.031 -7.062 19.379 1.00 12.16 C ATOM 1262 CE1 PHE B 164 15.915 -5.128 17.389 1.00 11.42 C ATOM 1263 CE2 PHE B 164 14.797 -6.680 18.852 1.00 12.55 C ATOM 1264 CZ PHE B 164 14.740 -5.710 17.856 1.00 12.13 C ATOM 1265 N ASP B 165 21.676 -7.103 19.182 1.00 10.38 N ATOM 1266 CA ASP B 165 22.939 -7.322 19.869 1.00 11.64 C ATOM 1267 C ASP B 165 22.735 -6.910 21.318 1.00 11.08 C ATOM 1268 O ASP B 165 23.205 -7.579 22.239 1.00 9.39 O ATOM 1269 CB ASP B 165 24.047 -6.492 19.224 1.00 11.44 C ATOM 1270 CG ASP B 165 24.415 -7.003 17.855 1.00 14.35 C ATOM 1271 OD1 ASP B 165 25.004 -8.107 17.773 1.00 14.96 O ATOM 1272 OD2 ASP B 165 24.103 -6.313 16.864 1.00 10.31 O ATOM 1273 N TRP B 166 22.011 -5.813 21.514 1.00 10.22 N ATOM 1274 CA TRP B 166 21.745 -5.319 22.855 1.00 10.84 C ATOM 1275 C TRP B 166 20.299 -4.865 23.011 1.00 10.55 C ATOM 1276 O TRP B 166 19.657 -4.444 22.048 1.00 11.12 O ATOM 1277 CB TRP B 166 22.670 -4.146 23.187 1.00 11.82 C ATOM 1278 CG TRP B 166 24.120 -4.437 22.946 1.00 14.11 C ATOM 1279 CD1 TRP B 166 24.892 -3.961 21.923 1.00 15.08 C ATOM 1280 CD2 TRP B 166 24.968 -5.288 23.728 1.00 16.43 C ATOM 1281 NE1 TRP B 166 26.168 -4.463 22.021 1.00 16.66 N ATOM 1282 CE2 TRP B 166 26.243 -5.284 23.119 1.00 17.19 C ATOM 1283 CE3 TRP B 166 24.773 -6.062 24.884 1.00 16.46 C ATOM 1284 CZ2 TRP B 166 27.323 -6.017 23.627 1.00 18.14 C ATOM 1285 CZ3 TRP B 166 25.849 -6.794 25.392 1.00 17.15 C ATOM 1286 CH2 TRP B 166 27.107 -6.766 24.760 1.00 17.77 C ATOM 1287 N VAL B 167 19.799 -4.958 24.237 1.00 9.67 N ATOM 1288 CA VAL B 167 18.443 -4.537 24.554 1.00 9.71 C ATOM 1289 C VAL B 167 18.476 -3.686 25.815 1.00 9.60 C ATOM 1290 O VAL B 167 19.002 -4.115 26.846 1.00 8.20 O ATOM 1291 CB VAL B 167 17.509 -5.744 24.820 1.00 11.47 C ATOM 1292 CG1 VAL B 167 16.146 -5.250 25.291 1.00 9.67 C ATOM 1293 CG2 VAL B 167 17.357 -6.579 23.559 1.00 11.18 C ATOM 1294 N ILE B 168 17.931 -2.475 25.721 1.00 8.32 N ATOM 1295 CA ILE B 168 17.863 -1.580 26.865 1.00 10.11 C ATOM 1296 C ILE B 168 16.413 -1.547 27.319 1.00 9.11 C ATOM 1297 O ILE B 168 15.541 -1.080 26.584 1.00 10.74 O ATOM 1298 CB ILE B 168 18.299 -0.145 26.500 1.00 10.58 C ATOM 1299 CG1 ILE B 168 19.782 -0.139 26.126 1.00 13.53 C ATOM 1300 CG2 ILE B 168 18.039 0.798 27.675 1.00 11.58 C ATOM 1301 CD1 ILE B 168 20.304 1.222 25.681 1.00 17.48 C ATOM 1302 N GLU B 169 16.147 -2.068 28.511 1.00 7.73 N ATOM 1303 CA GLU B 169 14.785 -2.054 29.023 1.00 8.52 C ATOM 1304 C GLU B 169 14.634 -0.873 29.970 1.00 9.61 C ATOM 1305 O GLU B 169 15.287 -0.807 31.015 1.00 7.85 O ATOM 1306 CB GLU B 169 14.448 -3.359 29.746 1.00 10.24 C ATOM 1307 CG GLU B 169 13.013 -3.378 30.279 1.00 12.59 C ATOM 1308 CD GLU B 169 12.656 -4.676 30.969 1.00 13.14 C ATOM 1309 OE1 GLU B 169 12.285 -5.646 30.278 1.00 16.70 O ATOM 1310 OE2 GLU B 169 12.757 -4.727 32.207 1.00 13.28 O ATOM 1311 N ASN B 170 13.790 0.073 29.575 1.00 8.61 N ATOM 1312 CA ASN B 170 13.532 1.258 30.375 1.00 8.96 C ATOM 1313 C ASN B 170 12.520 0.903 31.462 1.00 8.69 C ATOM 1314 O ASN B 170 11.385 0.538 31.162 1.00 8.67 O ATOM 1315 CB ASN B 170 12.988 2.369 29.479 1.00 9.14 C ATOM 1316 CG ASN B 170 12.697 3.647 30.238 1.00 11.32 C ATOM 1317 OD1 ASN B 170 13.004 3.766 31.422 1.00 11.11 O ATOM 1318 ND2 ASN B 170 12.104 4.615 29.551 1.00 11.34 N ATOM 1319 N HIS B 171 12.948 1.008 32.719 1.00 10.23 N ATOM 1320 CA HIS B 171 12.107 0.691 33.874 1.00 10.48 C ATOM 1321 C HIS B 171 11.371 1.902 34.442 1.00 12.37 C ATOM 1322 O HIS B 171 10.686 1.786 35.461 1.00 10.97 O ATOM 1323 CB HIS B 171 12.959 0.088 34.993 1.00 11.92 C ATOM 1324 CG HIS B 171 13.672 -1.169 34.605 1.00 14.95 C ATOM 1325 ND1 HIS B 171 13.195 -2.423 34.923 1.00 16.21 N ATOM 1326 CD2 HIS B 171 14.828 -1.366 33.926 1.00 13.49 C ATOM 1327 CE1 HIS B 171 14.029 -3.338 34.458 1.00 14.78 C ATOM 1328 NE2 HIS B 171 15.027 -2.723 33.850 1.00 15.46 N ATOM 1329 N GLY B 172 11.519 3.060 33.804 1.00 11.51 N ATOM 1330 CA GLY B 172 10.851 4.253 34.295 1.00 12.30 C ATOM 1331 C GLY B 172 11.526 4.852 35.522 1.00 13.25 C ATOM 1332 O GLY B 172 10.905 5.598 36.285 1.00 11.33 O ATOM 1333 N VAL B 173 12.801 4.525 35.711 1.00 11.66 N ATOM 1334 CA VAL B 173 13.582 5.030 36.836 1.00 12.71 C ATOM 1335 C VAL B 173 14.854 5.658 36.268 1.00 13.53 C ATOM 1336 O VAL B 173 15.663 4.975 35.651 1.00 14.00 O ATOM 1337 CB VAL B 173 13.967 3.888 37.805 1.00 14.22 C ATOM 1338 CG1 VAL B 173 14.793 4.433 38.958 1.00 14.82 C ATOM 1339 CG2 VAL B 173 12.709 3.212 38.336 1.00 15.40 C ATOM 1340 N GLU B 174 15.025 6.958 36.485 1.00 13.56 N ATOM 1341 CA GLU B 174 16.180 7.672 35.958 1.00 14.48 C ATOM 1342 C GLU B 174 17.544 7.087 36.296 1.00 15.00 C ATOM 1343 O GLU B 174 18.398 6.974 35.417 1.00 12.51 O ATOM 1344 CB GLU B 174 16.109 9.146 36.374 1.00 15.27 C ATOM 1345 CG GLU B 174 15.000 9.891 35.623 1.00 15.13 C ATOM 1346 CD GLU B 174 14.530 11.151 36.320 1.00 18.32 C ATOM 1347 OE1 GLU B 174 15.143 12.224 36.118 1.00 11.94 O ATOM 1348 OE2 GLU B 174 13.536 11.057 37.078 1.00 19.46 O ATOM 1349 N GLN B 175 17.757 6.693 37.547 1.00 13.37 N ATOM 1350 CA GLN B 175 19.061 6.149 37.915 1.00 15.21 C ATOM 1351 C GLN B 175 19.371 4.839 37.196 1.00 15.83 C ATOM 1352 O GLN B 175 20.499 4.614 36.744 1.00 13.56 O ATOM 1353 CB GLN B 175 19.155 5.952 39.431 1.00 17.53 C ATOM 1354 CG GLN B 175 20.524 5.484 39.889 1.00 22.96 C ATOM 1355 CD GLN B 175 20.725 5.634 41.381 1.00 27.23 C ATOM 1356 OE1 GLN B 175 20.686 6.745 41.919 1.00 29.08 O ATOM 1357 NE2 GLN B 175 20.946 4.516 42.061 1.00 31.22 N ATOM 1358 N ARG B 176 18.365 3.978 37.082 1.00 15.74 N ATOM 1359 CA ARG B 176 18.545 2.700 36.411 1.00 16.03 C ATOM 1360 C ARG B 176 18.931 2.883 34.941 1.00 14.78 C ATOM 1361 O ARG B 176 19.789 2.162 34.433 1.00 13.14 O ATOM 1362 CB ARG B 176 17.263 1.870 36.505 1.00 18.48 C ATOM 1363 CG ARG B 176 17.320 0.576 35.713 1.00 23.80 C ATOM 1364 CD ARG B 176 17.525 -0.642 36.596 1.00 28.90 C ATOM 1365 NE ARG B 176 16.311 -1.022 37.313 1.00 30.10 N ATOM 1366 CZ ARG B 176 15.908 -2.278 37.483 1.00 30.37 C ATOM 1367 NH1 ARG B 176 16.616 -3.281 36.984 1.00 32.56 N ATOM 1368 NH2 ARG B 176 14.799 -2.535 38.161 1.00 30.07 N ATOM 1369 N LEU B 177 18.298 3.840 34.262 1.00 12.70 N ATOM 1370 CA LEU B 177 18.594 4.080 32.850 1.00 13.33 C ATOM 1371 C LEU B 177 19.984 4.686 32.676 1.00 14.25 C ATOM 1372 O LEU B 177 20.675 4.405 31.697 1.00 14.28 O ATOM 1373 CB LEU B 177 17.539 5.001 32.230 1.00 14.01 C ATOM 1374 CG LEU B 177 17.609 5.182 30.708 1.00 15.45 C ATOM 1375 CD1 LEU B 177 17.578 3.822 30.022 1.00 16.10 C ATOM 1376 CD2 LEU B 177 16.442 6.038 30.239 1.00 16.39 C ATOM 1377 N GLU B 178 20.391 5.517 33.631 1.00 13.38 N ATOM 1378 CA GLU B 178 21.710 6.144 33.593 1.00 12.46 C ATOM 1379 C GLU B 178 22.792 5.070 33.633 1.00 13.39 C ATOM 1380 O GLU B 178 23.798 5.160 32.927 1.00 12.86 O ATOM 1381 CB GLU B 178 21.869 7.091 34.787 1.00 13.26 C ATOM 1382 CG GLU B 178 23.280 7.643 35.011 1.00 16.22 C ATOM 1383 CD GLU B 178 23.841 8.376 33.805 1.00 18.60 C ATOM 1384 OE1 GLU B 178 23.050 8.983 33.053 1.00 16.56 O ATOM 1385 OE2 GLU B 178 25.080 8.358 33.621 1.00 18.05 O ATOM 1386 N GLU B 179 22.584 4.052 34.464 1.00 13.35 N ATOM 1387 CA GLU B 179 23.545 2.962 34.583 1.00 14.62 C ATOM 1388 C GLU B 179 23.673 2.220 33.256 1.00 14.69 C ATOM 1389 O GLU B 179 24.768 1.835 32.851 1.00 13.85 O ATOM 1390 CB GLU B 179 23.111 1.985 35.677 1.00 18.63 C ATOM 1391 CG GLU B 179 24.135 0.896 35.962 1.00 24.48 C ATOM 1392 CD GLU B 179 23.706 -0.040 37.078 1.00 28.20 C ATOM 1393 OE1 GLU B 179 23.214 0.455 38.119 1.00 29.53 O ATOM 1394 OE2 GLU B 179 23.874 -1.270 36.919 1.00 29.37 O ATOM 1395 N GLN B 180 22.545 2.014 32.586 1.00 13.65 N ATOM 1396 CA GLN B 180 22.536 1.324 31.299 1.00 13.64 C ATOM 1397 C GLN B 180 23.270 2.181 30.268 1.00 13.77 C ATOM 1398 O GLN B 180 24.018 1.666 29.429 1.00 14.41 O ATOM 1399 CB GLN B 180 21.092 1.084 30.844 1.00 15.19 C ATOM 1400 CG GLN B 180 20.295 0.167 31.759 1.00 17.93 C ATOM 1401 CD GLN B 180 18.804 0.193 31.465 1.00 19.52 C ATOM 1402 OE1 GLN B 180 18.191 1.258 31.412 1.00 19.63 O ATOM 1403 NE2 GLN B 180 18.214 -0.983 31.278 1.00 19.92 N ATOM 1404 N LEU B 181 23.053 3.491 30.338 1.00 11.96 N ATOM 1405 CA LEU B 181 23.692 4.423 29.417 1.00 12.53 C ATOM 1406 C LEU B 181 25.199 4.408 29.618 1.00 14.09 C ATOM 1407 O LEU B 181 25.970 4.449 28.657 1.00 14.22 O ATOM 1408 CB LEU B 181 23.150 5.840 29.630 1.00 13.94 C ATOM 1409 CG LEU B 181 21.681 6.043 29.241 1.00 16.45 C ATOM 1410 CD1 LEU B 181 21.250 7.472 29.551 1.00 15.93 C ATOM 1411 CD2 LEU B 181 21.500 5.741 27.759 1.00 20.59 C ATOM 1412 N GLU B 182 25.615 4.347 30.876 1.00 12.59 N ATOM 1413 CA GLU B 182 27.035 4.320 31.190 1.00 13.72 C ATOM 1414 C GLU B 182 27.676 3.040 30.668 1.00 14.39 C ATOM 1415 O GLU B 182 28.823 3.058 30.215 1.00 14.66 O ATOM 1416 CB GLU B 182 27.237 4.462 32.700 1.00 14.09 C ATOM 1417 CG GLU B 182 27.007 5.888 33.190 1.00 16.16 C ATOM 1418 CD GLU B 182 27.052 6.017 34.699 1.00 18.50 C ATOM 1419 OE1 GLU B 182 27.655 5.142 35.357 1.00 21.22 O ATOM 1420 OE2 GLU B 182 26.496 7.005 35.227 1.00 17.98 O ATOM 1421 N ASN B 183 26.947 1.928 30.726 1.00 14.22 N ATOM 1422 CA ASN B 183 27.476 0.665 30.217 1.00 17.55 C ATOM 1423 C ASN B 183 27.681 0.763 28.709 1.00 18.26 C ATOM 1424 O ASN B 183 28.722 0.367 28.181 1.00 18.19 O ATOM 1425 CB ASN B 183 26.516 -0.490 30.495 1.00 21.54 C ATOM 1426 CG ASN B 183 26.555 -0.952 31.928 1.00 24.36 C ATOM 1427 OD1 ASN B 183 27.621 -1.040 32.534 1.00 28.58 O ATOM 1428 ND2 ASN B 183 25.389 -1.276 32.476 1.00 27.39 N ATOM 1429 N LEU B 184 26.680 1.298 28.019 1.00 16.82 N ATOM 1430 CA LEU B 184 26.745 1.435 26.570 1.00 18.08 C ATOM 1431 C LEU B 184 27.851 2.395 26.145 1.00 17.49 C ATOM 1432 O LEU B 184 28.585 2.122 25.192 1.00 15.28 O ATOM 1433 CB LEU B 184 25.389 1.901 26.030 1.00 19.09 C ATOM 1434 CG LEU B 184 25.142 1.762 24.525 1.00 21.30 C ATOM 1435 CD1 LEU B 184 25.548 0.373 24.044 1.00 22.93 C ATOM 1436 CD2 LEU B 184 23.667 2.012 24.246 1.00 21.31 C ATOM 1437 N ILE B 185 27.973 3.513 26.856 1.00 15.01 N ATOM 1438 CA ILE B 185 29.007 4.498 26.552 1.00 16.55 C ATOM 1439 C ILE B 185 30.400 3.865 26.625 1.00 17.12 C ATOM 1440 O ILE B 185 31.251 4.113 25.771 1.00 14.78 O ATOM 1441 CB ILE B 185 28.939 5.703 27.527 1.00 16.36 C ATOM 1442 CG1 ILE B 185 27.843 6.674 27.078 1.00 18.42 C ATOM 1443 CG2 ILE B 185 30.281 6.415 27.595 1.00 17.16 C ATOM 1444 CD1 ILE B 185 28.158 7.414 25.779 1.00 20.15 C ATOM 1445 N GLU B 186 30.641 3.046 27.643 1.00 17.52 N ATOM 1446 CA GLU B 186 31.953 2.419 27.759 1.00 19.34 C ATOM 1447 C GLU B 186 32.172 1.394 26.648 1.00 19.58 C ATOM 1448 O GLU B 186 33.303 1.145 26.237 1.00 17.89 O ATOM 1449 CB GLU B 186 32.128 1.784 29.143 1.00 20.68 C ATOM 1450 CG GLU B 186 32.144 2.812 30.283 1.00 23.47 C ATOM 1451 CD GLU B 186 33.072 3.999 30.016 1.00 23.83 C ATOM 1452 OE1 GLU B 186 32.572 5.138 29.901 1.00 26.27 O ATOM 1453 OE2 GLU B 186 34.300 3.801 29.919 1.00 22.44 O ATOM 1454 N PHE B 187 31.088 0.810 26.149 1.00 18.06 N ATOM 1455 CA PHE B 187 31.194 -0.155 25.060 1.00 18.92 C ATOM 1456 C PHE B 187 31.589 0.618 23.800 1.00 19.14 C ATOM 1457 O PHE B 187 32.492 0.219 23.065 1.00 18.60 O ATOM 1458 CB PHE B 187 29.851 -0.862 24.838 1.00 19.88 C ATOM 1459 CG PHE B 187 29.832 -1.774 23.640 1.00 22.14 C ATOM 1460 CD1 PHE B 187 30.481 -3.005 23.668 1.00 23.04 C ATOM 1461 CD2 PHE B 187 29.166 -1.394 22.476 1.00 22.57 C ATOM 1462 CE1 PHE B 187 30.469 -3.848 22.553 1.00 22.56 C ATOM 1463 CE2 PHE B 187 29.148 -2.225 21.359 1.00 23.88 C ATOM 1464 CZ PHE B 187 29.802 -3.456 21.398 1.00 24.38 C ATOM 1465 N ILE B 188 30.910 1.737 23.565 1.00 17.43 N ATOM 1466 CA ILE B 188 31.188 2.573 22.404 1.00 16.91 C ATOM 1467 C ILE B 188 32.623 3.091 22.430 1.00 18.08 C ATOM 1468 O ILE B 188 33.312 3.091 21.407 1.00 17.07 O ATOM 1469 CB ILE B 188 30.224 3.770 22.352 1.00 18.00 C ATOM 1470 CG1 ILE B 188 28.796 3.266 22.113 1.00 17.26 C ATOM 1471 CG2 ILE B 188 30.657 4.748 21.267 1.00 17.12 C ATOM 1472 CD1 ILE B 188 27.727 4.336 22.277 1.00 15.98 C ATOM 1473 N ARG B 189 33.070 3.528 23.602 1.00 16.87 N ATOM 1474 CA ARG B 189 34.420 4.052 23.748 1.00 18.91 C ATOM 1475 C ARG B 189 35.502 3.034 23.402 1.00 18.77 C ATOM 1476 O ARG B 189 36.569 3.398 22.897 1.00 18.60 O ATOM 1477 CB ARG B 189 34.630 4.572 25.174 1.00 17.08 C ATOM 1478 CG ARG B 189 33.922 5.890 25.456 1.00 19.86 C ATOM 1479 CD ARG B 189 34.092 6.297 26.908 1.00 19.01 C ATOM 1480 NE ARG B 189 35.498 6.447 27.269 1.00 21.25 N ATOM 1481 CZ ARG B 189 36.131 7.611 27.359 1.00 20.26 C ATOM 1482 NH1 ARG B 189 35.480 8.742 27.118 1.00 22.97 N ATOM 1483 NH2 ARG B 189 37.415 7.646 27.690 1.00 20.70 N ATOM 1484 N SER B 190 35.231 1.760 23.663 1.00 19.43 N ATOM 1485 CA SER B 190 36.208 0.718 23.370 1.00 22.62 C ATOM 1486 C SER B 190 36.470 0.645 21.866 1.00 24.53 C ATOM 1487 O SER B 190 37.459 0.055 21.431 1.00 23.39 O ATOM 1488 CB SER B 190 35.710 -0.641 23.863 1.00 22.77 C ATOM 1489 OG SER B 190 34.629 -1.103 23.070 1.00 25.17 O ATOM 1490 N ARG B 191 35.576 1.245 21.084 1.00 24.98 N ATOM 1491 CA ARG B 191 35.695 1.255 19.630 1.00 26.12 C ATOM 1492 C ARG B 191 36.426 2.484 19.103 1.00 25.19 C ATOM 1493 O ARG B 191 36.679 2.593 17.902 1.00 24.98 O ATOM 1494 CB ARG B 191 34.308 1.186 18.984 1.00 28.01 C ATOM 1495 CG ARG B 191 33.827 -0.224 18.686 1.00 31.25 C ATOM 1496 CD ARG B 191 33.812 -1.096 19.926 1.00 33.87 C ATOM 1497 NE ARG B 191 33.440 -2.471 19.605 1.00 36.72 N ATOM 1498 CZ ARG B 191 33.419 -3.468 20.484 1.00 37.28 C ATOM 1499 NH1 ARG B 191 33.750 -3.248 21.750 1.00 37.58 N ATOM 1500 NH2 ARG B 191 33.069 -4.686 20.094 1.00 38.23 N ATOM 1501 N LEU B 192 36.762 3.405 19.999 1.00 24.99 N ATOM 1502 CA LEU B 192 37.456 4.627 19.616 1.00 25.26 C ATOM 1503 C LEU B 192 38.935 4.590 19.990 1.00 27.51 C ATOM 1504 O LEU B 192 39.679 5.525 19.687 1.00 27.59 O ATOM 1505 CB LEU B 192 36.787 5.836 20.276 1.00 25.53 C ATOM 1506 CG LEU B 192 35.346 6.110 19.838 1.00 25.06 C ATOM 1507 CD1 LEU B 192 34.738 7.207 20.699 1.00 26.41 C ATOM 1508 CD2 LEU B 192 35.330 6.506 18.369 1.00 26.24 C ATOM 1509 N LYS B 193 39.355 3.512 20.647 1.00 29.04 N ATOM 1510 CA LYS B 193 40.748 3.361 21.055 1.00 31.49 C ATOM 1511 C LYS B 193 41.660 3.204 19.844 1.00 32.97 C ATOM 1512 O LYS B 193 41.244 2.514 18.891 1.00 34.57 O ATOM 1513 CB LYS B 193 40.906 2.140 21.967 1.00 32.87 C ATOM 1514 CG LYS B 193 40.543 2.383 23.427 1.00 33.61 C ATOM 1515 CD LYS B 193 40.904 1.177 24.290 1.00 34.44 C ATOM 1516 CE LYS B 193 39.830 0.102 24.232 1.00 35.95 C ATOM 1517 NZ LYS B 193 40.364 -1.252 24.553 1.00 35.87 N TER 1518 LYS B 193 HETATM 1519 S SO4 B 201 11.042 8.945 23.460 1.00 11.61 S HETATM 1520 O1 SO4 B 201 12.176 9.391 24.286 1.00 11.22 O HETATM 1521 O2 SO4 B 201 11.567 8.203 22.295 1.00 14.75 O HETATM 1522 O3 SO4 B 201 10.161 8.079 24.257 1.00 11.05 O HETATM 1523 O4 SO4 B 201 10.267 10.102 22.982 1.00 13.06 O HETATM 1524 S SO4 B 202 18.663 -3.592 33.714 1.00 30.47 S HETATM 1525 O1 SO4 B 202 20.020 -3.587 33.144 1.00 33.80 O HETATM 1526 O2 SO4 B 202 17.673 -3.589 32.623 1.00 31.79 O HETATM 1527 O3 SO4 B 202 18.486 -4.792 34.549 1.00 32.20 O HETATM 1528 O4 SO4 B 202 18.479 -2.392 34.539 1.00 30.81 O HETATM 1529 C1 MPD B 203 13.652 8.541 30.731 1.00 19.04 C HETATM 1530 C2 MPD B 203 12.680 7.845 31.737 1.00 22.20 C HETATM 1531 O2 MPD B 203 11.638 7.169 31.021 1.00 17.41 O HETATM 1532 CM MPD B 203 13.460 6.844 32.521 1.00 22.29 C HETATM 1533 C3 MPD B 203 12.024 9.022 32.510 1.00 22.14 C HETATM 1534 C4 MPD B 203 10.900 8.788 33.591 1.00 24.74 C HETATM 1535 O4 MPD B 203 10.569 7.344 33.624 1.00 23.42 O HETATM 1536 C5 MPD B 203 11.417 9.087 35.066 1.00 23.03 C HETATM 1537 C1 MPD B 204 22.611 -1.390 27.712 1.00 33.59 C HETATM 1538 C2 MPD B 204 23.595 -2.529 28.018 1.00 34.70 C HETATM 1539 O2 MPD B 204 23.668 -2.730 29.445 1.00 33.24 O HETATM 1540 CM MPD B 204 23.112 -3.795 27.386 1.00 32.19 C HETATM 1541 C3 MPD B 204 24.981 -1.992 27.583 1.00 34.45 C HETATM 1542 C4 MPD B 204 26.269 -2.877 27.762 1.00 36.03 C HETATM 1543 O4 MPD B 204 25.930 -4.063 28.537 1.00 37.64 O HETATM 1544 C5 MPD B 204 26.752 -3.421 26.365 1.00 35.82 C HETATM 1545 O HOH B 205 8.786 -2.827 16.114 1.00 9.52 O HETATM 1546 O HOH B 206 8.562 -0.378 24.216 1.00 9.57 O HETATM 1547 O HOH B 207 10.744 5.631 22.466 1.00 10.20 O HETATM 1548 O HOH B 208 24.893 16.549 1.474 1.00 10.84 O HETATM 1549 O HOH B 209 9.963 -1.207 21.966 1.00 9.39 O HETATM 1550 O HOH B 210 8.886 -0.736 14.098 1.00 10.43 O HETATM 1551 O HOH B 211 8.912 5.118 28.625 1.00 10.64 O HETATM 1552 O HOH B 212 14.301 2.820 5.536 1.00 11.03 O HETATM 1553 O HOH B 213 12.066 1.971 8.285 1.00 13.36 O HETATM 1554 O HOH B 214 15.167 -0.808 4.787 1.00 11.05 O HETATM 1555 O HOH B 215 3.887 -4.588 27.502 1.00 13.09 O HETATM 1556 O HOH B 216 5.478 -2.311 26.957 1.00 13.58 O HETATM 1557 O HOH B 217 16.077 2.634 3.424 1.00 11.61 O HETATM 1558 O HOH B 218 11.216 -7.953 19.509 1.00 18.54 O HETATM 1559 O HOH B 219 12.110 2.528 15.971 1.00 12.55 O HETATM 1560 O HOH B 220 18.880 12.088 27.569 1.00 11.91 O HETATM 1561 O HOH B 221 2.974 -1.056 19.144 1.00 11.34 O HETATM 1562 O HOH B 222 11.470 -5.588 6.513 1.00 17.41 O HETATM 1563 O HOH B 223 17.294 12.056 34.428 1.00 16.74 O HETATM 1564 O HOH B 224 3.709 1.630 19.734 1.00 14.67 O HETATM 1565 O HOH B 225 17.332 -1.774 15.796 1.00 13.58 O HETATM 1566 O HOH B 226 18.499 -3.557 29.590 1.00 20.00 O HETATM 1567 O HOH B 227 10.666 -0.034 16.285 1.00 15.50 O HETATM 1568 O HOH B 228 17.068 18.113 22.948 1.00 21.95 O HETATM 1569 O HOH B 229 8.107 8.733 21.567 1.00 18.32 O HETATM 1570 O HOH B 230 15.949 8.265 19.180 1.00 22.51 O HETATM 1571 O HOH B 231 14.811 3.024 33.947 1.00 18.59 O HETATM 1572 O HOH B 232 7.822 4.309 5.443 1.00 19.31 O HETATM 1573 O HOH B 233 20.677 9.900 32.284 1.00 20.43 O HETATM 1574 O HOH B 234 11.348 5.018 16.009 1.00 23.08 O HETATM 1575 O HOH B 235 28.024 14.756 1.474 1.00 15.74 O HETATM 1576 O HOH B 236 9.801 7.569 29.167 1.00 23.42 O HETATM 1577 O HOH B 237 16.215 1.117 33.104 1.00 17.82 O HETATM 1578 O HOH B 238 7.997 7.303 31.677 1.00 23.89 O HETATM 1579 O HOH B 239 -1.630 6.780 29.348 1.00 17.71 O HETATM 1580 O HOH B 240 2.160 -1.047 21.711 1.00 20.18 O HETATM 1581 O HOH B 241 4.006 9.234 20.043 1.00 20.07 O HETATM 1582 O HOH B 242 -1.210 8.252 0.363 1.00 16.29 O HETATM 1583 O HOH B 243 -0.953 8.146 22.772 1.00 16.34 O HETATM 1584 O HOH B 244 9.781 -5.334 9.277 1.00 19.52 O HETATM 1585 O HOH B 245 28.877 8.322 30.658 1.00 19.88 O HETATM 1586 O HOH B 246 17.426 17.723 20.109 1.00 31.30 O HETATM 1587 O HOH B 247 12.187 7.876 19.280 1.00 26.90 O HETATM 1588 O HOH B 248 15.104 -1.251 -6.841 1.00 28.40 O HETATM 1589 O HOH B 249 3.079 1.783 8.953 1.00 20.76 O HETATM 1590 O HOH B 250 21.887 -8.699 6.004 1.00 23.85 O HETATM 1591 O HOH B 251 8.892 4.501 17.650 1.00 25.64 O HETATM 1592 O HOH B 252 8.830 6.941 35.508 1.00 19.58 O HETATM 1593 O HOH B 253 20.688 -0.677 35.038 1.00 21.64 O HETATM 1594 O HOH B 254 33.536 0.719 8.424 1.00 20.66 O HETATM 1595 O HOH B 255 10.087 11.046 19.799 1.00 32.06 O HETATM 1596 O HOH B 256 31.337 10.236 2.617 1.00 26.58 O HETATM 1597 O HOH B 257 18.519 11.419 19.123 1.00 27.87 O HETATM 1598 O HOH B 258 18.470 9.007 33.540 1.00 29.29 O HETATM 1599 O HOH B 259 0.443 5.087 6.479 1.00 23.14 O HETATM 1600 O HOH B 260 35.169 1.619 30.639 1.00 23.67 O HETATM 1601 O HOH B 261 -3.565 9.228 5.311 1.00 32.96 O HETATM 1602 O HOH B 262 7.421 -1.175 -4.323 1.00 34.16 O HETATM 1603 O HOH B 263 16.196 13.208 19.708 1.00 25.02 O HETATM 1604 O HOH B 264 12.877 10.189 13.130 1.00 25.98 O HETATM 1605 O HOH B 265 17.016 11.477 16.495 1.00 28.22 O HETATM 1606 O HOH B 266 -2.657 3.047 28.061 1.00 20.47 O HETATM 1607 O HOH B 267 9.418 -8.142 13.047 1.00 22.50 O HETATM 1608 O HOH B 268 9.055 -0.998 3.878 1.00 26.96 O HETATM 1609 O HOH B 269 28.274 17.150 24.206 1.00 30.84 O HETATM 1610 O HOH B 270 32.111 7.326 0.107 1.00 35.69 O HETATM 1611 O HOH B 271 19.885 -9.501 10.773 1.00 37.40 O HETATM 1612 O HOH B 272 8.050 4.851 8.570 1.00 12.63 O HETATM 1613 O HOH B 273 6.413 -2.120 24.596 1.00 17.50 O HETATM 1614 O HOH B 274 11.808 7.874 15.779 1.00 25.43 O HETATM 1615 O HOH B 275 10.903 -3.071 4.295 1.00 24.83 O HETATM 1616 O HOH B 276 12.807 5.102 6.492 1.00 25.75 O HETATM 1617 O HOH B 277 1.091 -0.930 8.399 1.00 27.60 O HETATM 1618 O HOH B 278 14.108 13.852 10.699 1.00 31.86 O HETATM 1619 O HOH B 279 30.304 5.316 30.996 1.00 36.96 O HETATM 1620 O HOH B 280 25.881 -8.902 22.414 1.00 27.29 O HETATM 1621 O HOH B 281 14.866 2.975 -5.974 1.00 28.49 O HETATM 1622 O HOH B 282 11.300 7.579 12.059 1.00 31.37 O HETATM 1623 O HOH B 283 -3.768 1.327 26.116 1.00 32.16 O HETATM 1624 O HOH B 284 30.178 -2.117 28.719 1.00 31.19 O HETATM 1625 O HOH B 285 21.081 -3.367 30.784 1.00 33.56 O HETATM 1626 O HOH B 286 35.807 10.779 8.463 1.00 36.84 O HETATM 1627 O HOH B 287 24.349 14.447 14.755 1.00 31.52 O HETATM 1628 O HOH B 288 10.209 -10.517 11.375 1.00 34.85 O HETATM 1629 O HOH B 289 20.341 11.910 9.150 1.00 29.72 O HETATM 1630 O HOH B 290 15.802 16.636 18.178 1.00 46.26 O HETATM 1631 O HOH B 291 0.413 -3.046 23.117 1.00 35.52 O HETATM 1632 O HOH B 292 1.082 3.956 8.875 1.00 29.78 O HETATM 1633 O HOH B 293 3.206 -1.229 26.049 1.00 30.45 O HETATM 1634 O HOH B 294 33.145 9.886 0.474 1.00 40.55 O HETATM 1635 O HOH B 295 12.315 -4.105 1.349 1.00 28.25 O HETATM 1636 O HOH B 296 22.722 11.913 8.057 1.00 42.44 O HETATM 1637 O HOH B 297 0.798 4.839 11.419 1.00 29.07 O HETATM 1638 O HOH B 298 38.560 -1.279 26.804 1.00 35.04 O HETATM 1639 O HOH B 299 3.140 -6.804 16.635 1.00 31.00 O HETATM 1640 O HOH B 300 44.053 1.218 18.749 1.00 34.69 O HETATM 1641 O HOH B 301 25.260 6.512 -0.619 1.00 33.36 O HETATM 1642 O HOH B 302 32.669 8.055 8.945 1.00 33.73 O HETATM 1643 O HOH B 303 12.406 4.632 9.957 1.00 27.67 O HETATM 1644 O HOH B 304 13.638 -0.273 38.820 1.00 38.25 O HETATM 1645 O HOH B 305 26.222 -9.535 19.798 1.00 30.80 O HETATM 1646 O HOH B 306 27.057 15.220 15.529 1.00 29.51 O HETATM 1647 O HOH B 307 2.362 1.584 0.188 1.00 30.19 O HETATM 1648 O HOH B 308 0.413 12.038 24.342 1.00 37.87 O HETATM 1649 O HOH B 309 -3.512 8.797 29.082 1.00 36.85 O HETATM 1650 O HOH B 310 2.544 4.187 13.484 1.00 31.82 O HETATM 1651 O HOH B 311 40.420 -3.593 22.621 1.00 43.98 O HETATM 1652 O HOH B 312 30.534 2.514 1.117 1.00 35.63 O HETATM 1653 O HOH B 313 27.063 -7.914 11.274 1.00 37.41 O HETATM 1654 O HOH B 314 27.852 -7.188 14.165 1.00 37.56 O HETATM 1655 O HOH B 315 19.193 17.579 18.382 1.00 45.44 O HETATM 1656 O HOH B 316 21.480 -10.166 8.714 1.00 37.13 O HETATM 1657 O HOH B 317 31.303 9.825 29.322 1.00 39.00 O HETATM 1658 O HOH B 318 2.325 25.016 7.537 1.00 42.95 O HETATM 1659 O HOH B 319 24.397 -5.738 14.067 1.00 35.69 O HETATM 1660 O HOH B 320 16.374 14.960 9.886 1.00 39.79 O HETATM 1661 O HOH B 321 29.505 14.649 9.351 1.00 40.60 O HETATM 1662 O HOH B 322 13.711 5.495 -6.669 1.00 40.21 O HETATM 1663 O HOH B 323 26.103 -8.870 15.537 1.00 36.34 O HETATM 1664 O HOH B 324 31.092 17.751 24.008 1.00 39.52 O HETATM 1665 O HOH B 325 37.443 -0.055 16.519 1.00 44.36 O HETATM 1666 O HOH B 326 6.121 10.072 20.958 1.00 49.45 O HETATM 1667 O HOH B 327 36.310 12.639 6.857 1.00 46.66 O HETATM 1668 O HOH B 328 -4.576 6.234 13.239 1.00 42.36 O HETATM 1669 O HOH B 329 9.956 -14.260 15.738 1.00 41.65 O HETATM 1670 O HOH B 330 1.941 14.125 24.429 1.00 45.47 O HETATM 1671 O HOH B 331 6.701 -2.032 4.006 1.00 42.61 O HETATM 1672 O HOH B 332 -5.391 -3.476 16.157 1.00 39.32 O HETATM 1673 O HOH B 333 29.119 -7.622 4.793 1.00 36.61 O HETATM 1674 O HOH B 334 13.941 14.574 -7.854 1.00 38.95 O HETATM 1675 O HOH B 335 -6.367 1.483 26.219 1.00 48.04 O HETATM 1676 O HOH B 336 -6.198 6.000 21.506 1.00 40.84 O HETATM 1677 O HOH B 337 18.001 12.748 8.533 1.00 41.53 O HETATM 1678 O HOH B 338 21.365 2.111 38.697 1.00 40.57 O HETATM 1679 O HOH B 339 27.110 -8.799 8.531 1.00 43.24 O HETATM 1680 O HOH B 340 35.773 -0.456 14.611 1.00 36.57 O HETATM 1681 O HOH B 341 3.607 -3.281 23.399 1.00 41.79 O HETATM 1682 O HOH B 342 13.493 -7.479 5.288 1.00 42.13 O HETATM 1683 O HOH B 343 27.360 14.119 10.638 1.00 49.04 O HETATM 1684 O HOH B 344 13.915 -5.343 -5.122 1.00 38.57 O HETATM 1685 O HOH B 345 42.206 0.111 17.136 1.00 47.90 O HETATM 1686 O HOH B 346 -1.890 12.830 22.898 1.00 31.41 O HETATM 1687 O HOH B 347 -6.490 -1.224 13.438 1.00 31.63 O HETATM 1688 O HOH B 348 -7.026 1.655 23.212 1.00 29.15 O HETATM 1689 O HOH B 349 26.890 -11.822 18.696 1.00 32.18 O HETATM 1690 O HOH B 350 -0.859 1.064 35.892 1.00 33.73 O HETATM 1691 O HOH B 351 -0.963 11.371 20.931 1.00 33.76 O HETATM 1692 O HOH B 352 28.578 -7.608 20.239 1.00 34.30 O CONECT 1520 1519 CONECT 1521 1519 CONECT 1522 1519 CONECT 1523 1519 CONECT 1519 1522 1523 1521 1520 CONECT 1525 1524 CONECT 1526 1524 CONECT 1527 1524 CONECT 1528 1524 CONECT 1524 1525 1527 1526 1528 CONECT 1529 1530 CONECT 1530 1529 1531 1533 1532 CONECT 1533 1534 1530 CONECT 1534 1535 1533 1536 CONECT 1536 1534 CONECT 1532 1530 CONECT 1531 1530 CONECT 1535 1534 CONECT 1537 1538 CONECT 1538 1537 1541 1539 1540 CONECT 1541 1542 1538 CONECT 1542 1543 1541 1544 CONECT 1544 1542 CONECT 1540 1538 CONECT 1539 1538 CONECT 1543 1542 END If you find results from this site helpful for your research, please cite one of our papers:
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