Browse entries in the PDBbind-CN Database
HEADER HYDROLASE INHIBITOR/HYDROLASE 31-OCT-06 2NQD TITLE CRYSTAL STRUCTURE OF CYSTEINE PROTEASE INHIBITOR, CHAGASIN, IN COMPLEX TITLE 2 WITH HUMAN CATHEPSIN L CAVEAT 2NQD NAG C 1 HAS WRONG CHIRALITY AT ATOM C1 COMPND MOL_ID: 1; COMPND 2 MOLECULE: CHAGASIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: CYSTEINE PROTEASE INHIBITOR; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: CATHEPSIN L; COMPND 8 CHAIN: B; COMPND 9 FRAGMENT: RESIDUES 1-220; COMPND 10 SYNONYM: CYSTEINE PROTEASE, MAJOR EXCRETED PROTEIN, MEP; COMPND 11 EC: 3.4.22.15; COMPND 12 ENGINEERED: YES; COMPND 13 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; SOURCE 3 ORGANISM_TAXID: 5693; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PGEX-6P-1; SOURCE 9 MOL_ID: 2; SOURCE 10 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 11 ORGANISM_COMMON: HUMAN; SOURCE 12 ORGANISM_TAXID: 9606; SOURCE 13 EXPRESSION_SYSTEM: PICHIA PASTORIS; SOURCE 14 EXPRESSION_SYSTEM_TAXID: 4922; SOURCE 15 EXPRESSION_SYSTEM_STRAIN: GS115; SOURCE 16 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 17 EXPRESSION_SYSTEM_PLASMID: PPIC9 KEYWDS CHAGASIN-CATHEPSIN L COMPLEX, THREE PRONG INHIBITION MODE, HYDROLASE KEYWDS 2 INHIBITOR-HYDROLASE COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR I.REDZYNIA,G.BUJACZ,A.LJUNGGREN,M.JASKOLSKI,M.ABRAHAMSON REVDAT 5 29-JUL-20 2NQD 1 CAVEAT COMPND REMARK HET REVDAT 5 2 1 HETNAM FORMUL LINK SITE REVDAT 5 3 1 ATOM REVDAT 4 18-OCT-17 2NQD 1 REMARK REVDAT 3 13-JUL-11 2NQD 1 VERSN REVDAT 2 24-FEB-09 2NQD 1 VERSN REVDAT 1 24-JUL-07 2NQD 0 JRNL AUTH A.LJUNGGREN,I.REDZYNIA,M.ALVAREZ-FERNANDEZ,M.ABRAHAMSON, JRNL AUTH 2 J.S.MORT,J.C.KRUPA,M.JASKOLSKI,G.BUJACZ JRNL TITL CRYSTAL STRUCTURE OF THE PARASITE PROTEASE INHIBITOR JRNL TITL 2 CHAGASIN IN COMPLEX WITH A HOST TARGET CYSTEINE PROTEASE JRNL REF J.MOL.BIOL. V. 371 137 2007 JRNL REFN ISSN 0022-2836 JRNL PMID 17561110 JRNL DOI 10.1016/J.JMB.2007.05.005 REMARK 2 REMARK 2 RESOLUTION. 1.75 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, REMARK 3 : NICHOLLS,WINN,LONG,VAGIN REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.75 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 40.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.1 REMARK 3 NUMBER OF REFLECTIONS : 37513 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 + TEST SET) : 0.150 REMARK 3 R VALUE (WORKING SET) : 0.148 REMARK 3 FREE R VALUE : 0.188 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1891 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.75 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.79 REMARK 3 REFLECTION IN BIN (WORKING SET) : 2089 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 78.40 REMARK 3 BIN R VALUE (WORKING SET) : 0.2150 REMARK 3 BIN FREE R VALUE SET COUNT : 103 REMARK 3 BIN FREE R VALUE : 0.2870 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2548 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 30 REMARK 3 SOLVENT ATOMS : 564 REMARK 3 REMARK 3 B VALUES. REMARK 3 B VALUE TYPE : LIKELY RESIDUAL REMARK 3 FROM WILSON PLOT (A**2) : 18.98 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.46 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.02000 REMARK 3 B22 (A**2) : -0.02000 REMARK 3 B33 (A**2) : 0.05000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.01000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.100 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.101 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.065 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 3.729 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.968 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.949 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2769 ; 0.015 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3766 ; 1.410 ; 1.949 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 332 ; 5.942 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 138 ;38.238 ;25.072 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 452 ;13.825 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 10 ;17.014 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 399 ; 0.111 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2146 ; 0.006 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 1299 ; 0.204 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 1860 ; 0.304 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 472 ; 0.167 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): 5 ; 0.111 ; 0.200 REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 50 ; 0.245 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 37 ; 0.182 ; 0.200 REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1662 ; 0.800 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 2694 ; 1.391 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1159 ; 2.159 ; 3.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 1071 ; 3.429 ; 4.500 REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 2 REMARK 3 REMARK 3 TLS GROUP : 1 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 1 B 220 REMARK 3 ORIGIN FOR THE GROUP (A): 11.1416 -0.5274 11.3592 REMARK 3 T TENSOR REMARK 3 T11: -0.0175 T22: -0.0341 REMARK 3 T33: -0.0253 T12: 0.0094 REMARK 3 T13: 0.0072 T23: 0.0034 REMARK 3 L TENSOR REMARK 3 L11: 0.7080 L22: 0.4409 REMARK 3 L33: 0.7923 L12: -0.0184 REMARK 3 L13: 0.2345 L23: -0.1679 REMARK 3 S TENSOR REMARK 3 S11: 0.0245 S12: -0.0111 S13: -0.0336 REMARK 3 S21: 0.0035 S22: -0.0481 S23: -0.0253 REMARK 3 S31: 0.0647 S32: 0.0876 S33: 0.0236 REMARK 3 REMARK 3 TLS GROUP : 2 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 2 A 110 REMARK 3 ORIGIN FOR THE GROUP (A): -17.5994 9.7735 17.0279 REMARK 3 T TENSOR REMARK 3 T11: -0.0323 T22: -0.0207 REMARK 3 T33: -0.0154 T12: 0.0029 REMARK 3 T13: 0.0002 T23: -0.0102 REMARK 3 L TENSOR REMARK 3 L11: 2.4558 L22: 0.3292 REMARK 3 L33: 0.4045 L12: -0.6717 REMARK 3 L13: 0.0436 L23: -0.1095 REMARK 3 S TENSOR REMARK 3 S11: -0.1270 S12: -0.0359 S13: 0.1011 REMARK 3 S21: 0.0148 S22: 0.0826 S23: 0.0352 REMARK 3 S31: -0.0275 S32: -0.0742 S33: 0.0444 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : BABINET MODEL WITH MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.40 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2NQD COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 09-NOV-06. REMARK 100 THE DEPOSITION ID IS D_1000040174. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 18-OCT-05 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 5.6 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : EMBL/DESY, HAMBURG REMARK 200 BEAMLINE : X13 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.8078 REMARK 200 MONOCHROMATOR : SI [111], HORIZONTALLY FOCUSSING REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MAR CCD 165 MM REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 37521 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.740 REMARK 200 RESOLUTION RANGE LOW (A) : 63.250 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.9 REMARK 200 DATA REDUNDANCY : 3.600 REMARK 200 R MERGE (I) : 0.06100 REMARK 200 R SYM (I) : NULL REMARK 200
FOR THE DATA SET : 12.1000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.74 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.81 REMARK 200 COMPLETENESS FOR SHELL (%) : 92.5 REMARK 200 DATA REDUNDANCY IN SHELL : 3.00 REMARK 200 R MERGE FOR SHELL (I) : 0.39900 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200
FOR SHELL : 3.300 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: PDB ENTRY 2NNR, 1CS8 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 52.50 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.59 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 20% ISO-PROPANOL, 20% PEG 4000, 0.1M REMARK 280 NA CITRATE PH 5.6, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE REMARK 280 291K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y+1/2,-Z REMARK 290 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 25.03150 REMARK 290 SMTRY3 2 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 2540 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 14940 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -25.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ALA B 1 153.20 -47.18 REMARK 500 ALA B 1 170.76 111.47 REMARK 500 TYR B 89 71.49 -152.42 REMARK 500 LYS B 147 -52.43 -122.40 REMARK 500 SER B 177 64.72 -158.90 REMARK 500 ASP B 178 -62.50 -165.19 REMARK 500 ASN B 179 77.56 -116.03 REMARK 500 ALA B 214 54.53 -151.75 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 NA A 565 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 SER A 62 O REMARK 620 2 HOH A 585 O 80.8 REMARK 620 3 HOH A 655 O 89.4 100.7 REMARK 620 4 HOH B1087 O 89.0 99.3 159.5 REMARK 620 5 HOH B1090 O 168.2 89.2 98.8 86.4 REMARK 620 N 1 2 3 4 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2H7W RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF CHAGASIN FROM TRYPANOSOMA CRUZI REMARK 900 RELATED ID: 2NNR RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF CHAGASIN, CYSTEINE PROTEASE INHIBITOR FROM REMARK 900 TRYPANOSOMA CRUZI REMARK 900 RELATED ID: 1ICF RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF MHC CLASS II ASSOCIATED P41 II FRAGMENT IN REMARK 900 COMPLEX WITH CATHEPSIN L REMARK 900 RELATED ID: 1CS8 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF PROCATHEPSIN L DBREF 2NQD A 2 110 UNP Q966X9 CHAG_TRYCR 2 110 DBREF 2NQD B 1P 220 UNP P07711 CATL_HUMAN 113 333 SEQADV 2NQD ALA B 25 UNP P07711 CYS 138 ENGINEERED SEQRES 1 A 109 SER HIS LYS VAL THR LYS ALA HIS ASN GLY ALA THR LEU SEQRES 2 A 109 THR VAL ALA VAL GLY GLU LEU VAL GLU ILE GLN LEU PRO SEQRES 3 A 109 SER ASN PRO THR THR GLY PHE ALA TRP TYR PHE GLU GLY SEQRES 4 A 109 GLY THR LYS GLU SER PRO ASN GLU SER MET PHE THR VAL SEQRES 5 A 109 GLU ASN LYS TYR PHE PRO PRO ASP SER LYS LEU LEU GLY SEQRES 6 A 109 ALA GLY GLY THR GLU HIS PHE HIS VAL THR VAL LYS ALA SEQRES 7 A 109 ALA GLY THR HIS ALA VAL ASN LEU THR TYR MET ARG PRO SEQRES 8 A 109 TRP THR GLY PRO SER HIS ASP SER GLU ARG PHE THR VAL SEQRES 9 A 109 TYR LEU LYS ALA ASN SEQRES 1 B 221 GLU ALA PRO ARG SER VAL ASP TRP ARG GLU LYS GLY TYR SEQRES 2 B 221 VAL THR PRO VAL LYS ASN GLN GLY GLN CYS GLY SER ALA SEQRES 3 B 221 TRP ALA PHE SER ALA THR GLY ALA LEU GLU GLY GLN MET SEQRES 4 B 221 PHE ARG LYS THR GLY ARG LEU ILE SER LEU SER GLU GLN SEQRES 5 B 221 ASN LEU VAL ASP CYS SER GLY PRO GLN GLY ASN GLU GLY SEQRES 6 B 221 CYS ASN GLY GLY LEU MET ASP TYR ALA PHE GLN TYR VAL SEQRES 7 B 221 GLN ASP ASN GLY GLY LEU ASP SER GLU GLU SER TYR PRO SEQRES 8 B 221 TYR GLU ALA THR GLU GLU SER CYS LYS TYR ASN PRO LYS SEQRES 9 B 221 TYR SER VAL ALA ASN ASP THR GLY PHE VAL ASP ILE PRO SEQRES 10 B 221 LYS GLN GLU LYS ALA LEU MET LYS ALA VAL ALA THR VAL SEQRES 11 B 221 GLY PRO ILE SER VAL ALA ILE ASP ALA GLY HIS GLU SER SEQRES 12 B 221 PHE LEU PHE TYR LYS GLU GLY ILE TYR PHE GLU PRO ASP SEQRES 13 B 221 CYS SER SER GLU ASP MET ASP HIS GLY VAL LEU VAL VAL SEQRES 14 B 221 GLY TYR GLY PHE GLU SER THR GLU SER ASP ASN ASN LYS SEQRES 15 B 221 TYR TRP LEU VAL LYS ASN SER TRP GLY GLU GLU TRP GLY SEQRES 16 B 221 MET GLY GLY TYR VAL LYS MET ALA LYS ASP ARG ARG ASN SEQRES 17 B 221 HIS CYS GLY ILE ALA SER ALA ALA SER TYR PRO THR VAL MODRES 2NQD ASN B 108 ASN GLYCOSYLATION SITE HET NAG C 1 14 HET NAG C 2 14 HET NA A 565 1 HET CL B1001 1 HETNAM NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE HETNAM NA SODIUM ION HETNAM CL CHLORIDE ION FORMUL 3 NAG 2(C8 H15 N O6) FORMUL 4 NA NA 1+ FORMUL 5 CL CL 1- FORMUL 6 HOH *564(H2 O) HELIX 1 1 THR A 6 ASN A 10 5 5 HELIX 2 2 ASN A 29 GLY A 33 5 5 HELIX 3 3 ARG B 8 GLY B 11 5 4 HELIX 4 4 SER B 24 GLY B 43 1 20 HELIX 5 5 SER B 49 SER B 57 1 9 HELIX 6 6 GLY B 58 GLY B 61 5 4 HELIX 7 7 GLU B 63 GLY B 67 5 5 HELIX 8 8 LEU B 69 GLY B 81 1 13 HELIX 9 9 ASN B 101 LYS B 103 5 3 HELIX 10 10 GLN B 118 GLY B 130 1 13 HELIX 11 11 HIS B 140 PHE B 145 1 6 HELIX 12 12 ASN B 207 ILE B 211 5 5 SHEET 1 A 4 LYS A 4 VAL A 5 0 SHEET 2 A 4 LEU A 21 SER A 28 1 O GLN A 25 N VAL A 5 SHEET 3 A 4 GLY A 69 VAL A 77 -1 O VAL A 75 N VAL A 22 SHEET 4 A 4 PHE A 51 PHE A 58 -1 N LYS A 56 O HIS A 72 SHEET 1 B 4 THR A 13 THR A 15 0 SHEET 2 B 4 ARG A 102 ALA A 109 1 O LYS A 108 N LEU A 14 SHEET 3 B 4 GLY A 81 MET A 90 -1 N LEU A 87 O PHE A 103 SHEET 4 B 4 ALA A 35 TYR A 37 -1 N ALA A 35 O MET A 90 SHEET 1 C 3 VAL B 5 ASP B 6 0 SHEET 2 C 3 HIS B 163 PHE B 172 -1 O TYR B 170 N VAL B 5 SHEET 3 C 3 ILE B 132 ILE B 136 -1 N ILE B 132 O VAL B 167 SHEET 1 D 5 VAL B 5 ASP B 6 0 SHEET 2 D 5 HIS B 163 PHE B 172 -1 O TYR B 170 N VAL B 5 SHEET 3 D 5 LYS B 181 LYS B 186 -1 O LYS B 186 N LEU B 166 SHEET 4 D 5 TYR B 198 ALA B 202 -1 O MET B 201 N TRP B 183 SHEET 5 D 5 ILE B 150 TYR B 151 1 N TYR B 151 O LYS B 200 SHEET 1 E 2 LEU B 83 ASP B 84 0 SHEET 2 E 2 SER B 105 ALA B 107 -1 O VAL B 106 N LEU B 83 SHEET 1 F 2 PHE B 112 ASP B 114 0 SHEET 2 F 2 SER B 216 PRO B 218 -1 O TYR B 217 N VAL B 113 SSBOND 1 CYS B 22 CYS B 65 1555 1555 2.05 SSBOND 2 CYS B 56 CYS B 98 1555 1555 2.09 SSBOND 3 CYS B 156 CYS B 209 1555 1555 2.02 LINK ND2AASN B 108 C1 NAG C 1 1555 1555 1.47 LINK OD1BASN B 108 C1 NAG C 1 1555 1555 1.72 LINK O4 NAG C 1 C1 NAG C 2 1555 1555 1.44 LINK O SER A 62 NA NA A 565 1555 1555 2.33 LINK NA NA A 565 O HOH A 585 1555 1555 2.27 LINK NA NA A 565 O HOH A 655 1555 1555 2.26 LINK NA NA A 565 O HOH B1087 1555 1555 2.38 LINK NA NA A 565 O HOH B1090 1555 1555 2.30 CRYST1 59.270 50.063 65.008 90.00 103.44 90.00 P 1 21 1 2 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 0.016872 0.000000 0.004032 0.00000 SCALE2 0.000000 0.019975 0.000000 0.00000 SCALE3 0.000000 0.000000 0.015816 0.00000 ATOM 1 N SER A 2 -21.338 25.136 21.341 1.00 41.05 N ATOM 2 CA SER A 2 -22.723 25.113 21.915 1.00 40.75 C ATOM 3 C SER A 2 -23.135 23.729 22.440 1.00 39.90 C ATOM 4 O SER A 2 -23.854 23.642 23.449 1.00 40.21 O ATOM 5 CB SER A 2 -23.762 25.654 20.914 1.00 41.37 C ATOM 6 OG SER A 2 -23.813 24.865 19.729 1.00 43.34 O ATOM 7 N HIS A 3 -22.726 22.669 21.737 1.00 38.00 N ATOM 8 CA HIS A 3 -22.699 21.335 22.326 1.00 36.63 C ATOM 9 C HIS A 3 -21.371 20.631 22.054 1.00 35.24 C ATOM 10 O HIS A 3 -20.988 20.385 20.901 1.00 33.53 O ATOM 11 CB AHIS A 3 -23.851 20.459 21.818 0.50 36.74 C ATOM 12 CB BHIS A 3 -23.904 20.492 21.889 0.50 36.81 C ATOM 13 CG AHIS A 3 -25.026 20.391 22.745 0.50 37.84 C ATOM 14 CG BHIS A 3 -25.193 20.904 22.538 0.50 37.89 C ATOM 15 ND1AHIS A 3 -24.907 20.065 24.081 0.50 37.80 N ATOM 16 ND1BHIS A 3 -26.298 21.308 21.818 0.50 38.02 N ATOM 17 CD2AHIS A 3 -26.349 20.579 22.520 0.50 37.58 C ATOM 18 CD2BHIS A 3 -25.548 20.981 23.844 0.50 38.62 C ATOM 19 CE1AHIS A 3 -26.103 20.073 24.642 0.50 37.80 C ATOM 20 CE1BHIS A 3 -27.279 21.609 22.652 0.50 38.30 C ATOM 21 NE2AHIS A 3 -26.996 20.377 23.716 0.50 38.41 N ATOM 22 NE2BHIS A 3 -26.849 21.423 23.887 0.50 39.06 N ATOM 23 N LYS A 4 -20.655 20.359 23.137 1.00 33.76 N ATOM 24 CA LYS A 4 -19.452 19.548 23.064 1.00 32.26 C ATOM 25 C LYS A 4 -19.692 18.314 23.908 1.00 31.25 C ATOM 26 O LYS A 4 -20.401 18.381 24.934 1.00 30.60 O ATOM 27 CB ALYS A 4 -18.190 20.284 23.512 0.50 32.85 C ATOM 28 CB BLYS A 4 -18.249 20.314 23.627 0.50 32.69 C ATOM 29 CG ALYS A 4 -16.918 19.487 23.189 0.50 33.32 C ATOM 30 CG BLYS A 4 -18.167 21.809 23.272 0.50 31.99 C ATOM 31 CD ALYS A 4 -15.637 20.262 23.447 0.50 34.49 C ATOM 32 CD BLYS A 4 -19.065 22.708 24.154 0.50 33.46 C ATOM 33 CE ALYS A 4 -15.312 20.367 24.937 0.50 35.48 C ATOM 34 CE BLYS A 4 -18.873 22.438 25.643 0.50 32.89 C ATOM 35 NZ ALYS A 4 -15.041 19.033 25.527 0.50 35.24 N ATOM 36 NZ BLYS A 4 -19.646 23.358 26.498 0.50 33.39 N ATOM 37 N VAL A 5 -19.119 17.191 23.470 1.00 28.10 N ATOM 38 CA VAL A 5 -19.258 15.934 24.195 1.00 26.36 C ATOM 39 C VAL A 5 -17.961 15.135 24.092 1.00 24.41 C ATOM 40 O VAL A 5 -17.282 15.149 23.046 1.00 22.35 O ATOM 41 CB VAL A 5 -20.518 15.106 23.766 1.00 26.94 C ATOM 42 CG1 VAL A 5 -21.589 16.001 23.112 1.00 29.19 C ATOM 43 CG2 VAL A 5 -20.204 13.959 22.870 1.00 28.75 C ATOM 44 N THR A 6 -17.616 14.490 25.204 1.00 22.07 N ATOM 45 CA THR A 6 -16.412 13.673 25.307 1.00 21.49 C ATOM 46 C THR A 6 -16.833 12.311 25.858 1.00 21.24 C ATOM 47 O THR A 6 -18.017 12.059 26.052 1.00 20.41 O ATOM 48 CB THR A 6 -15.385 14.299 26.306 1.00 21.81 C ATOM 49 OG1 THR A 6 -15.955 14.308 27.629 1.00 21.06 O ATOM 50 CG2 THR A 6 -15.059 15.731 25.910 1.00 20.80 C ATOM 51 N LYS A 7 -15.856 11.453 26.152 1.00 21.14 N ATOM 52 CA LYS A 7 -16.111 10.159 26.784 1.00 22.47 C ATOM 53 C LYS A 7 -16.892 10.272 28.083 1.00 22.03 C ATOM 54 O LYS A 7 -17.677 9.367 28.414 1.00 21.64 O ATOM 55 CB LYS A 7 -14.779 9.437 27.065 1.00 23.49 C ATOM 56 CG LYS A 7 -14.437 8.348 26.107 1.00 28.38 C ATOM 57 CD LYS A 7 -13.032 7.794 26.456 1.00 33.45 C ATOM 58 CE LYS A 7 -13.091 6.481 27.263 1.00 37.70 C ATOM 59 NZ LYS A 7 -13.048 6.611 28.761 1.00 39.95 N ATOM 60 N ALA A 8 -16.681 11.377 28.814 1.00 21.02 N ATOM 61 CA ALA A 8 -17.378 11.631 30.074 1.00 21.01 C ATOM 62 C ALA A 8 -18.898 11.616 29.887 1.00 20.73 C ATOM 63 O ALA A 8 -19.651 11.420 30.846 1.00 20.85 O ATOM 64 CB ALA A 8 -16.936 12.980 30.684 1.00 20.94 C ATOM 65 N HIS A 9 -19.351 11.824 28.651 1.00 20.14 N ATOM 66 CA HIS A 9 -20.784 11.918 28.373 1.00 19.40 C ATOM 67 C HIS A 9 -21.378 10.701 27.639 1.00 19.89 C ATOM 68 O HIS A 9 -22.477 10.802 27.097 1.00 19.93 O ATOM 69 CB HIS A 9 -21.066 13.228 27.617 1.00 18.94 C ATOM 70 CG HIS A 9 -20.386 14.404 28.247 1.00 17.97 C ATOM 71 ND1 HIS A 9 -19.352 15.088 27.641 1.00 18.75 N ATOM 72 CD2 HIS A 9 -20.520 14.942 29.488 1.00 17.58 C ATOM 73 CE1 HIS A 9 -18.901 16.020 28.464 1.00 17.71 C ATOM 74 NE2 HIS A 9 -19.607 15.964 29.588 1.00 16.79 N ATOM 75 N ASN A 10 -20.655 9.569 27.658 1.00 19.92 N ATOM 76 CA ASN A 10 -21.141 8.286 27.112 1.00 19.60 C ATOM 77 C ASN A 10 -22.547 7.960 27.617 1.00 19.95 C ATOM 78 O ASN A 10 -22.786 7.894 28.837 1.00 20.16 O ATOM 79 CB ASN A 10 -20.158 7.164 27.491 1.00 20.22 C ATOM 80 CG ASN A 10 -20.230 5.946 26.550 1.00 20.70 C ATOM 81 OD1 ASN A 10 -21.086 5.856 25.669 1.00 20.42 O ATOM 82 ND2 ASN A 10 -19.305 5.004 26.745 1.00 25.50 N ATOM 83 N GLY A 11 -23.489 7.808 26.687 1.00 19.18 N ATOM 84 CA GLY A 11 -24.857 7.409 26.993 1.00 19.63 C ATOM 85 C GLY A 11 -25.808 8.566 27.276 1.00 19.24 C ATOM 86 O GLY A 11 -27.001 8.342 27.563 1.00 19.61 O ATOM 87 N ALA A 12 -25.298 9.799 27.193 1.00 18.63 N ATOM 88 CA ALA A 12 -26.111 10.988 27.466 1.00 18.61 C ATOM 89 C ALA A 12 -27.067 11.330 26.327 1.00 19.09 C ATOM 90 O ALA A 12 -26.916 10.799 25.223 1.00 19.10 O ATOM 91 CB ALA A 12 -25.224 12.192 27.797 1.00 18.79 C ATOM 92 N THR A 13 -28.051 12.195 26.604 1.00 18.83 N ATOM 93 CA THR A 13 -28.929 12.764 25.565 1.00 19.27 C ATOM 94 C THR A 13 -28.793 14.272 25.589 1.00 19.97 C ATOM 95 O THR A 13 -28.907 14.906 26.640 1.00 20.18 O ATOM 96 CB THR A 13 -30.415 12.391 25.774 1.00 19.13 C ATOM 97 OG1 THR A 13 -30.544 10.964 25.795 1.00 19.63 O ATOM 98 CG2 THR A 13 -31.333 12.962 24.657 1.00 18.44 C ATOM 99 N LEU A 14 -28.510 14.845 24.430 1.00 19.91 N ATOM 100 CA LEU A 14 -28.502 16.276 24.265 1.00 20.80 C ATOM 101 C LEU A 14 -29.742 16.658 23.486 1.00 21.17 C ATOM 102 O LEU A 14 -30.049 16.055 22.463 1.00 20.19 O ATOM 103 CB LEU A 14 -27.285 16.684 23.450 1.00 21.42 C ATOM 104 CG LEU A 14 -25.953 16.809 24.172 1.00 24.81 C ATOM 105 CD1 LEU A 14 -25.741 15.720 25.210 1.00 28.05 C ATOM 106 CD2 LEU A 14 -24.897 16.748 23.078 1.00 29.70 C ATOM 107 N THR A 15 -30.441 17.678 23.961 1.00 21.29 N ATOM 108 CA THR A 15 -31.524 18.237 23.187 1.00 22.28 C ATOM 109 C THR A 15 -30.958 19.380 22.359 1.00 23.46 C ATOM 110 O THR A 15 -30.300 20.294 22.891 1.00 24.94 O ATOM 111 CB ATHR A 15 -32.671 18.677 24.117 0.50 22.36 C ATOM 112 CB BTHR A 15 -32.621 18.769 24.090 0.50 22.71 C ATOM 113 OG1ATHR A 15 -33.031 17.570 24.956 0.50 21.51 O ATOM 114 OG1BTHR A 15 -32.064 19.771 24.945 0.50 24.01 O ATOM 115 CG2ATHR A 15 -33.896 19.144 23.331 0.50 21.56 C ATOM 116 CG2BTHR A 15 -33.163 17.654 24.942 0.50 22.31 C ATOM 117 N VAL A 16 -31.165 19.296 21.048 1.00 23.78 N ATOM 118 CA VAL A 16 -30.612 20.257 20.096 1.00 24.50 C ATOM 119 C VAL A 16 -31.714 20.747 19.162 1.00 24.66 C ATOM 120 O VAL A 16 -32.779 20.137 19.060 1.00 24.65 O ATOM 121 CB VAL A 16 -29.427 19.653 19.256 1.00 24.72 C ATOM 122 CG1 VAL A 16 -28.322 19.139 20.169 1.00 26.72 C ATOM 123 CG2 VAL A 16 -29.881 18.537 18.352 1.00 24.55 C ATOM 124 N ALA A 17 -31.472 21.864 18.493 1.00 24.74 N ATOM 125 CA ALA A 17 -32.400 22.315 17.471 1.00 25.10 C ATOM 126 C ALA A 17 -31.940 21.722 16.154 1.00 24.44 C ATOM 127 O ALA A 17 -30.775 21.374 15.996 1.00 24.59 O ATOM 128 CB ALA A 17 -32.408 23.846 17.413 1.00 25.60 C ATOM 129 N VAL A 18 -32.861 21.590 15.208 1.00 24.97 N ATOM 130 CA VAL A 18 -32.511 21.201 13.844 1.00 24.93 C ATOM 131 C VAL A 18 -31.506 22.225 13.312 1.00 24.99 C ATOM 132 O VAL A 18 -31.710 23.459 13.465 1.00 24.85 O ATOM 133 CB VAL A 18 -33.780 21.142 12.920 1.00 24.57 C ATOM 134 CG1 VAL A 18 -33.407 20.989 11.439 1.00 25.38 C ATOM 135 CG2 VAL A 18 -34.734 20.018 13.345 1.00 23.96 C ATOM 136 N GLY A 19 -30.435 21.718 12.709 1.00 24.61 N ATOM 137 CA GLY A 19 -29.379 22.551 12.143 1.00 24.82 C ATOM 138 C GLY A 19 -28.246 22.896 13.091 1.00 25.62 C ATOM 139 O GLY A 19 -27.267 23.538 12.688 1.00 25.17 O ATOM 140 N GLU A 20 -28.372 22.479 14.350 1.00 25.40 N ATOM 141 CA GLU A 20 -27.381 22.796 15.372 1.00 25.88 C ATOM 142 C GLU A 20 -26.266 21.763 15.320 1.00 25.95 C ATOM 143 O GLU A 20 -26.541 20.605 15.057 1.00 26.14 O ATOM 144 CB GLU A 20 -28.055 22.783 16.734 1.00 25.97 C ATOM 145 CG GLU A 20 -27.145 22.877 17.905 1.00 28.34 C ATOM 146 CD GLU A 20 -27.892 23.150 19.203 1.00 33.02 C ATOM 147 OE1 GLU A 20 -29.092 23.551 19.148 1.00 29.70 O ATOM 148 OE2 GLU A 20 -27.251 22.967 20.275 1.00 35.07 O ATOM 149 N LEU A 21 -25.025 22.188 15.570 1.00 25.97 N ATOM 150 CA LEU A 21 -23.845 21.313 15.474 1.00 25.84 C ATOM 151 C LEU A 21 -23.449 20.787 16.844 1.00 25.07 C ATOM 152 O LEU A 21 -23.407 21.551 17.819 1.00 25.06 O ATOM 153 CB LEU A 21 -22.658 22.093 14.876 1.00 27.10 C ATOM 154 CG LEU A 21 -21.304 21.389 14.695 1.00 30.70 C ATOM 155 CD1 LEU A 21 -21.398 20.269 13.661 1.00 32.95 C ATOM 156 CD2 LEU A 21 -20.229 22.379 14.280 1.00 33.76 C ATOM 157 N VAL A 22 -23.145 19.493 16.916 1.00 22.69 N ATOM 158 CA VAL A 22 -22.645 18.884 18.139 1.00 21.39 C ATOM 159 C VAL A 22 -21.239 18.380 17.834 1.00 21.19 C ATOM 160 O VAL A 22 -21.027 17.673 16.837 1.00 20.10 O ATOM 161 CB VAL A 22 -23.568 17.731 18.583 1.00 21.11 C ATOM 162 CG1 VAL A 22 -23.011 16.986 19.772 1.00 21.87 C ATOM 163 CG2 VAL A 22 -24.950 18.258 18.911 1.00 21.34 C ATOM 164 N GLU A 23 -20.276 18.768 18.679 1.00 20.55 N ATOM 165 CA GLU A 23 -18.905 18.298 18.508 1.00 21.57 C ATOM 166 C GLU A 23 -18.604 17.148 19.465 1.00 20.94 C ATOM 167 O GLU A 23 -18.734 17.317 20.665 1.00 21.98 O ATOM 168 CB GLU A 23 -17.914 19.439 18.730 1.00 22.57 C ATOM 169 CG GLU A 23 -16.444 18.992 18.531 1.00 26.86 C ATOM 170 CD GLU A 23 -15.450 20.151 18.537 1.00 33.94 C ATOM 171 OE1 GLU A 23 -15.866 21.325 18.757 1.00 38.12 O ATOM 172 OE2 GLU A 23 -14.248 19.880 18.328 1.00 35.65 O ATOM 173 N ILE A 24 -18.207 15.998 18.924 1.00 19.96 N ATOM 174 CA ILE A 24 -17.820 14.835 19.731 1.00 19.96 C ATOM 175 C ILE A 24 -16.304 14.723 19.619 1.00 19.97 C ATOM 176 O ILE A 24 -15.770 14.719 18.504 1.00 20.45 O ATOM 177 CB ILE A 24 -18.475 13.541 19.211 1.00 20.01 C ATOM 178 CG1 ILE A 24 -20.005 13.691 19.221 1.00 20.64 C ATOM 179 CG2 ILE A 24 -18.026 12.314 20.038 1.00 20.29 C ATOM 180 CD1 ILE A 24 -20.767 12.531 18.551 1.00 21.94 C ATOM 181 N GLN A 25 -15.618 14.635 20.753 1.00 18.94 N ATOM 182 CA GLN A 25 -14.159 14.477 20.774 1.00 19.54 C ATOM 183 C GLN A 25 -13.803 13.208 21.556 1.00 18.44 C ATOM 184 O GLN A 25 -14.196 13.064 22.708 1.00 16.91 O ATOM 185 CB AGLN A 25 -13.490 15.710 21.386 0.50 19.85 C ATOM 186 CB BGLN A 25 -13.476 15.691 21.414 0.50 19.90 C ATOM 187 CG AGLN A 25 -13.730 16.997 20.587 0.50 21.62 C ATOM 188 CG BGLN A 25 -12.037 15.416 21.850 0.50 22.30 C ATOM 189 CD AGLN A 25 -13.399 18.262 21.359 0.50 24.46 C ATOM 190 CD BGLN A 25 -11.294 16.625 22.393 0.50 24.38 C ATOM 191 OE1AGLN A 25 -14.284 19.056 21.681 0.50 27.87 O ATOM 192 OE1BGLN A 25 -11.306 17.707 21.792 0.50 24.01 O ATOM 193 NE2AGLN A 25 -12.122 18.463 21.646 0.50 24.69 N ATOM 194 NE2BGLN A 25 -10.607 16.434 23.518 0.50 22.99 N ATOM 195 N LEU A 26 -13.075 12.291 20.922 1.00 16.90 N ATOM 196 CA LEU A 26 -12.707 11.003 21.538 1.00 16.69 C ATOM 197 C LEU A 26 -11.209 10.707 21.371 1.00 16.84 C ATOM 198 O LEU A 26 -10.655 11.000 20.317 1.00 17.26 O ATOM 199 CB LEU A 26 -13.515 9.866 20.888 1.00 17.02 C ATOM 200 CG LEU A 26 -15.057 9.879 21.078 1.00 17.27 C ATOM 201 CD1 LEU A 26 -15.730 8.849 20.213 1.00 16.69 C ATOM 202 CD2 LEU A 26 -15.435 9.667 22.546 1.00 17.66 C ATOM 203 N PRO A 27 -10.540 10.125 22.396 1.00 16.46 N ATOM 204 CA PRO A 27 -9.126 9.726 22.211 1.00 16.70 C ATOM 205 C PRO A 27 -9.043 8.710 21.058 1.00 16.71 C ATOM 206 O PRO A 27 -9.906 7.823 20.957 1.00 16.30 O ATOM 207 CB PRO A 27 -8.776 9.019 23.534 1.00 17.25 C ATOM 208 CG PRO A 27 -9.780 9.535 24.537 1.00 18.16 C ATOM 209 CD PRO A 27 -11.051 9.764 23.737 1.00 17.67 C ATOM 210 N SER A 28 -8.007 8.820 20.216 1.00 15.50 N ATOM 211 CA SER A 28 -7.864 7.948 19.050 1.00 16.08 C ATOM 212 C SER A 28 -6.388 7.918 18.628 1.00 16.31 C ATOM 213 O SER A 28 -5.696 8.947 18.622 1.00 16.08 O ATOM 214 CB SER A 28 -8.763 8.472 17.905 1.00 15.95 C ATOM 215 OG SER A 28 -8.832 7.525 16.862 1.00 17.51 O ATOM 216 N ASN A 29 -5.905 6.727 18.298 1.00 16.24 N ATOM 217 CA ASN A 29 -4.507 6.566 17.967 1.00 16.93 C ATOM 218 C ASN A 29 -4.356 5.703 16.690 1.00 16.18 C ATOM 219 O ASN A 29 -4.239 4.465 16.777 1.00 16.50 O ATOM 220 CB ASN A 29 -3.748 5.958 19.148 1.00 15.93 C ATOM 221 CG ASN A 29 -2.237 6.001 18.937 1.00 18.35 C ATOM 222 OD1 ASN A 29 -1.756 6.118 17.784 1.00 18.40 O ATOM 223 ND2 ASN A 29 -1.485 5.905 20.028 1.00 17.88 N ATOM 224 N PRO A 30 -4.344 6.349 15.505 1.00 15.76 N ATOM 225 CA PRO A 30 -4.315 5.594 14.243 1.00 15.73 C ATOM 226 C PRO A 30 -2.963 4.915 14.085 1.00 16.28 C ATOM 227 O PRO A 30 -2.867 3.972 13.329 1.00 16.46 O ATOM 228 CB PRO A 30 -4.573 6.667 13.168 1.00 16.68 C ATOM 229 CG PRO A 30 -4.071 7.904 13.768 1.00 14.70 C ATOM 230 CD PRO A 30 -4.441 7.799 15.258 1.00 16.24 C ATOM 231 N THR A 31 -1.949 5.337 14.856 1.00 16.01 N ATOM 232 CA THR A 31 -0.642 4.633 14.778 1.00 15.07 C ATOM 233 C THR A 31 -0.694 3.207 15.367 1.00 15.51 C ATOM 234 O THR A 31 0.258 2.405 15.163 1.00 15.31 O ATOM 235 CB THR A 31 0.538 5.428 15.435 1.00 14.28 C ATOM 236 OG1 THR A 31 0.497 5.298 16.868 1.00 16.34 O ATOM 237 CG2 THR A 31 0.524 6.896 15.018 1.00 14.87 C ATOM 238 N THR A 32 -1.785 2.875 16.073 1.00 15.98 N ATOM 239 CA THR A 32 -2.002 1.516 16.576 1.00 15.46 C ATOM 240 C THR A 32 -2.925 0.694 15.645 1.00 14.97 C ATOM 241 O THR A 32 -3.204 -0.489 15.905 1.00 14.58 O ATOM 242 CB THR A 32 -2.654 1.505 17.951 1.00 15.86 C ATOM 243 OG1 THR A 32 -3.978 2.085 17.866 1.00 16.65 O ATOM 244 CG2 THR A 32 -1.802 2.278 18.990 1.00 16.48 C ATOM 245 N GLY A 33 -3.399 1.338 14.588 1.00 13.82 N ATOM 246 CA GLY A 33 -4.328 0.713 13.631 1.00 14.59 C ATOM 247 C GLY A 33 -5.806 0.934 13.968 1.00 13.97 C ATOM 248 O GLY A 33 -6.671 0.592 13.172 1.00 15.97 O ATOM 249 N PHE A 34 -6.098 1.503 15.147 1.00 15.56 N ATOM 250 CA PHE A 34 -7.484 1.658 15.624 1.00 15.63 C ATOM 251 C PHE A 34 -8.051 3.010 15.261 1.00 15.90 C ATOM 252 O PHE A 34 -7.310 3.998 15.190 1.00 16.17 O ATOM 253 CB PHE A 34 -7.574 1.554 17.164 1.00 15.98 C ATOM 254 CG PHE A 34 -7.440 0.153 17.708 1.00 15.48 C ATOM 255 CD1 PHE A 34 -8.556 -0.535 18.190 1.00 17.64 C ATOM 256 CD2 PHE A 34 -6.178 -0.468 17.747 1.00 17.28 C ATOM 257 CE1 PHE A 34 -8.423 -1.812 18.692 1.00 17.24 C ATOM 258 CE2 PHE A 34 -6.028 -1.767 18.248 1.00 16.39 C ATOM 259 CZ PHE A 34 -7.150 -2.434 18.710 1.00 18.67 C ATOM 260 N ALA A 35 -9.372 3.069 15.058 1.00 14.89 N ATOM 261 CA ALA A 35 -10.088 4.351 14.969 1.00 14.85 C ATOM 262 C ALA A 35 -11.556 4.133 15.325 1.00 14.66 C ATOM 263 O ALA A 35 -11.968 3.016 15.533 1.00 15.82 O ATOM 264 CB ALA A 35 -9.967 4.943 13.595 1.00 14.80 C ATOM 265 N TRP A 36 -12.339 5.208 15.363 1.00 15.52 N ATOM 266 CA TRP A 36 -13.757 5.114 15.695 1.00 15.09 C ATOM 267 C TRP A 36 -14.627 5.057 14.445 1.00 14.92 C ATOM 268 O TRP A 36 -14.393 5.823 13.489 1.00 14.96 O ATOM 269 CB TRP A 36 -14.168 6.357 16.499 1.00 15.24 C ATOM 270 CG TRP A 36 -13.579 6.422 17.887 1.00 16.28 C ATOM 271 CD1 TRP A 36 -12.430 7.073 18.248 1.00 17.54 C ATOM 272 CD2 TRP A 36 -14.120 5.856 19.083 1.00 16.93 C ATOM 273 NE1 TRP A 36 -12.207 6.942 19.601 1.00 17.71 N ATOM 274 CE2 TRP A 36 -13.225 6.202 20.150 1.00 16.73 C ATOM 275 CE3 TRP A 36 -15.258 5.075 19.367 1.00 15.99 C ATOM 276 CZ2 TRP A 36 -13.429 5.788 21.486 1.00 13.44 C ATOM 277 CZ3 TRP A 36 -15.486 4.672 20.730 1.00 17.23 C ATOM 278 CH2 TRP A 36 -14.553 5.042 21.769 1.00 16.45 C ATOM 279 N TYR A 37 -15.639 4.187 14.459 1.00 15.83 N ATOM 280 CA TYR A 37 -16.506 4.010 13.275 1.00 15.75 C ATOM 281 C TYR A 37 -17.933 3.750 13.661 1.00 16.26 C ATOM 282 O TYR A 37 -18.208 3.129 14.718 1.00 15.91 O ATOM 283 CB TYR A 37 -16.067 2.785 12.451 1.00 15.60 C ATOM 284 CG TYR A 37 -14.647 2.864 11.921 1.00 14.36 C ATOM 285 CD1 TYR A 37 -14.375 3.501 10.711 1.00 14.75 C ATOM 286 CD2 TYR A 37 -13.575 2.324 12.669 1.00 14.54 C ATOM 287 CE1 TYR A 37 -13.060 3.604 10.233 1.00 13.45 C ATOM 288 CE2 TYR A 37 -12.249 2.438 12.203 1.00 15.51 C ATOM 289 CZ TYR A 37 -12.013 3.072 10.995 1.00 15.44 C ATOM 290 OH TYR A 37 -10.725 3.141 10.539 1.00 15.93 O ATOM 291 N PHE A 38 -18.833 4.157 12.767 1.00 16.52 N ATOM 292 CA PHE A 38 -20.217 3.651 12.778 1.00 17.88 C ATOM 293 C PHE A 38 -20.227 2.197 12.305 1.00 18.95 C ATOM 294 O PHE A 38 -19.243 1.711 11.727 1.00 18.05 O ATOM 295 CB PHE A 38 -21.125 4.473 11.863 1.00 17.37 C ATOM 296 CG PHE A 38 -21.298 5.912 12.303 1.00 19.39 C ATOM 297 CD1 PHE A 38 -20.522 6.927 11.740 1.00 18.82 C ATOM 298 CD2 PHE A 38 -22.221 6.236 13.299 1.00 19.78 C ATOM 299 CE1 PHE A 38 -20.674 8.283 12.153 1.00 20.67 C ATOM 300 CE2 PHE A 38 -22.400 7.563 13.724 1.00 18.72 C ATOM 301 CZ PHE A 38 -21.610 8.604 13.144 1.00 19.39 C ATOM 302 N GLU A 39 -21.341 1.504 12.538 1.00 20.94 N ATOM 303 CA GLU A 39 -21.445 0.088 12.129 1.00 22.55 C ATOM 304 C GLU A 39 -21.080 -0.112 10.673 1.00 22.71 C ATOM 305 O GLU A 39 -21.507 0.665 9.811 1.00 22.75 O ATOM 306 CB AGLU A 39 -22.909 -0.327 12.238 0.50 22.85 C ATOM 307 CB BGLU A 39 -22.759 -0.605 12.534 0.50 22.98 C ATOM 308 CG AGLU A 39 -23.362 -0.710 13.615 0.50 26.31 C ATOM 309 CG BGLU A 39 -24.080 0.062 12.195 0.50 24.92 C ATOM 310 CD AGLU A 39 -22.995 -2.131 13.971 0.50 29.50 C ATOM 311 CD BGLU A 39 -25.269 -0.698 12.805 0.50 27.45 C ATOM 312 OE1AGLU A 39 -23.085 -2.479 15.170 0.50 31.26 O ATOM 313 OE1BGLU A 39 -25.053 -1.835 13.285 0.50 28.46 O ATOM 314 OE2AGLU A 39 -22.620 -2.889 13.051 0.50 30.35 O ATOM 315 OE2BGLU A 39 -26.406 -0.162 12.827 0.50 27.05 O ATOM 316 N GLY A 40 -20.312 -1.162 10.409 1.00 23.70 N ATOM 317 CA GLY A 40 -19.801 -1.432 9.062 1.00 24.04 C ATOM 318 C GLY A 40 -18.503 -0.719 8.727 1.00 24.97 C ATOM 319 O GLY A 40 -18.043 -0.795 7.595 1.00 25.94 O ATOM 320 N GLY A 41 -17.911 -0.004 9.686 1.00 24.01 N ATOM 321 CA GLY A 41 -16.570 0.554 9.473 1.00 23.35 C ATOM 322 C GLY A 41 -16.587 1.771 8.584 1.00 23.32 C ATOM 323 O GLY A 41 -15.693 1.957 7.743 1.00 23.07 O ATOM 324 N THR A 42 -17.600 2.607 8.781 1.00 22.73 N ATOM 325 CA THR A 42 -17.745 3.860 8.056 1.00 23.13 C ATOM 326 C THR A 42 -17.676 5.065 9.005 1.00 22.62 C ATOM 327 O THR A 42 -18.014 4.936 10.186 1.00 22.55 O ATOM 328 CB THR A 42 -19.089 3.872 7.252 1.00 23.91 C ATOM 329 OG1 THR A 42 -19.251 5.128 6.588 1.00 27.14 O ATOM 330 CG2 THR A 42 -20.310 3.635 8.182 1.00 22.77 C ATOM 331 N LYS A 43 -17.294 6.230 8.487 1.00 22.32 N ATOM 332 CA LYS A 43 -17.370 7.494 9.263 1.00 22.51 C ATOM 333 C LYS A 43 -18.618 8.302 8.953 1.00 23.22 C ATOM 334 O LYS A 43 -18.869 9.331 9.584 1.00 22.95 O ATOM 335 CB LYS A 43 -16.184 8.412 8.969 1.00 22.51 C ATOM 336 CG LYS A 43 -14.863 7.787 9.115 1.00 20.66 C ATOM 337 CD LYS A 43 -14.454 7.622 10.572 1.00 17.59 C ATOM 338 CE LYS A 43 -12.959 7.280 10.540 1.00 18.53 C ATOM 339 NZ LYS A 43 -12.444 6.873 11.865 1.00 16.33 N ATOM 340 N GLU A 44 -19.390 7.850 7.974 1.00 24.72 N ATOM 341 CA GLU A 44 -20.556 8.590 7.516 1.00 25.13 C ATOM 342 C GLU A 44 -21.811 8.260 8.299 1.00 24.25 C ATOM 343 O GLU A 44 -21.918 7.182 8.884 1.00 23.00 O ATOM 344 CB GLU A 44 -20.772 8.319 6.035 1.00 26.58 C ATOM 345 CG GLU A 44 -19.672 8.922 5.133 1.00 31.59 C ATOM 346 CD GLU A 44 -19.491 10.442 5.320 1.00 40.51 C ATOM 347 OE1 GLU A 44 -20.502 11.180 5.497 1.00 45.17 O ATOM 348 OE2 GLU A 44 -18.328 10.908 5.274 1.00 43.35 O ATOM 349 N SER A 45 -22.752 9.208 8.327 1.00 24.21 N ATOM 350 CA SER A 45 -24.067 9.020 8.934 1.00 24.16 C ATOM 351 C SER A 45 -24.769 7.806 8.331 1.00 24.48 C ATOM 352 O SER A 45 -24.650 7.577 7.123 1.00 23.42 O ATOM 353 CB SER A 45 -24.936 10.263 8.653 1.00 23.96 C ATOM 354 OG SER A 45 -26.281 10.075 9.103 1.00 24.78 O ATOM 355 N PRO A 46 -25.511 7.038 9.153 1.00 25.08 N ATOM 356 CA PRO A 46 -26.396 5.968 8.645 1.00 25.55 C ATOM 357 C PRO A 46 -27.546 6.480 7.787 1.00 25.50 C ATOM 358 O PRO A 46 -28.073 5.735 6.953 1.00 25.56 O ATOM 359 CB PRO A 46 -26.978 5.348 9.929 1.00 26.02 C ATOM 360 CG PRO A 46 -26.839 6.412 10.969 1.00 25.38 C ATOM 361 CD PRO A 46 -25.525 7.083 10.629 1.00 25.81 C ATOM 362 N ASN A 47 -27.960 7.723 8.021 1.00 25.19 N ATOM 363 CA ASN A 47 -29.096 8.318 7.317 1.00 24.24 C ATOM 364 C ASN A 47 -28.767 9.816 7.139 1.00 24.43 C ATOM 365 O ASN A 47 -28.957 10.610 8.060 1.00 22.66 O ATOM 366 CB ASN A 47 -30.423 8.127 8.118 1.00 24.61 C ATOM 367 CG ASN A 47 -30.857 6.632 8.300 1.00 24.03 C ATOM 368 OD1 ASN A 47 -30.701 6.049 9.384 1.00 25.01 O ATOM 369 ND2 ASN A 47 -31.420 6.041 7.258 1.00 19.38 N ATOM 370 N GLU A 48 -28.240 10.195 5.975 1.00 24.44 N ATOM 371 CA GLU A 48 -27.860 11.605 5.690 1.00 24.51 C ATOM 372 C GLU A 48 -28.988 12.638 5.828 1.00 23.34 C ATOM 373 O GLU A 48 -28.736 13.808 6.122 1.00 22.71 O ATOM 374 CB GLU A 48 -27.334 11.738 4.252 1.00 26.04 C ATOM 375 CG GLU A 48 -25.836 11.623 4.003 1.00 29.83 C ATOM 376 CD GLU A 48 -24.983 12.540 4.851 1.00 32.98 C ATOM 377 OE1 GLU A 48 -24.800 13.740 4.515 1.00 34.34 O ATOM 378 OE2 GLU A 48 -24.452 12.027 5.841 1.00 34.47 O ATOM 379 N SER A 49 -30.225 12.229 5.536 1.00 22.24 N ATOM 380 CA SER A 49 -31.374 13.118 5.659 1.00 21.40 C ATOM 381 C SER A 49 -31.764 13.410 7.104 1.00 20.00 C ATOM 382 O SER A 49 -32.480 14.381 7.374 1.00 19.68 O ATOM 383 CB SER A 49 -32.591 12.539 4.928 1.00 21.52 C ATOM 384 OG SER A 49 -32.327 12.432 3.537 1.00 24.96 O ATOM 385 N MET A 50 -31.341 12.535 8.011 1.00 19.05 N ATOM 386 CA MET A 50 -31.611 12.661 9.444 1.00 18.73 C ATOM 387 C MET A 50 -30.525 13.463 10.169 1.00 18.41 C ATOM 388 O MET A 50 -30.827 14.371 10.953 1.00 18.09 O ATOM 389 CB MET A 50 -31.720 11.255 10.058 1.00 19.36 C ATOM 390 CG MET A 50 -33.007 10.485 9.661 1.00 19.36 C ATOM 391 SD MET A 50 -33.258 10.228 7.869 1.00 21.67 S ATOM 392 CE MET A 50 -34.136 8.648 7.908 1.00 19.69 C ATOM 393 N PHE A 51 -29.263 13.091 9.952 1.00 18.16 N ATOM 394 CA PHE A 51 -28.136 13.888 10.435 1.00 18.17 C ATOM 395 C PHE A 51 -26.891 13.694 9.562 1.00 17.98 C ATOM 396 O PHE A 51 -26.735 12.651 8.941 1.00 18.32 O ATOM 397 CB PHE A 51 -27.835 13.631 11.926 1.00 17.70 C ATOM 398 CG PHE A 51 -27.389 12.211 12.267 1.00 17.12 C ATOM 399 CD1 PHE A 51 -26.025 11.864 12.237 1.00 18.12 C ATOM 400 CD2 PHE A 51 -28.311 11.255 12.723 1.00 18.50 C ATOM 401 CE1 PHE A 51 -25.594 10.576 12.596 1.00 19.81 C ATOM 402 CE2 PHE A 51 -27.887 9.943 13.095 1.00 18.92 C ATOM 403 CZ PHE A 51 -26.528 9.615 13.051 1.00 18.74 C ATOM 404 N THR A 52 -26.040 14.721 9.483 1.00 18.14 N ATOM 405 CA THR A 52 -24.799 14.625 8.727 1.00 17.57 C ATOM 406 C THR A 52 -23.625 14.545 9.696 1.00 17.49 C ATOM 407 O THR A 52 -23.709 15.045 10.830 1.00 16.81 O ATOM 408 CB ATHR A 52 -24.563 15.834 7.791 0.50 17.36 C ATOM 409 CB BTHR A 52 -24.616 15.821 7.762 0.50 18.17 C ATOM 410 OG1ATHR A 52 -24.671 17.060 8.528 0.50 13.48 O ATOM 411 OG1BTHR A 52 -25.851 16.091 7.087 0.50 20.56 O ATOM 412 CG2ATHR A 52 -25.549 15.830 6.622 0.50 17.79 C ATOM 413 CG2BTHR A 52 -23.558 15.512 6.709 0.50 19.27 C ATOM 414 N VAL A 53 -22.532 13.940 9.233 1.00 16.78 N ATOM 415 CA VAL A 53 -21.314 13.797 10.040 1.00 17.38 C ATOM 416 C VAL A 53 -20.072 14.235 9.279 1.00 17.92 C ATOM 417 O VAL A 53 -19.892 13.867 8.113 1.00 18.36 O ATOM 418 CB VAL A 53 -21.099 12.328 10.434 1.00 17.18 C ATOM 419 CG1 VAL A 53 -19.854 12.193 11.291 1.00 18.44 C ATOM 420 CG2 VAL A 53 -22.333 11.764 11.176 1.00 20.49 C ATOM 421 N GLU A 54 -19.211 15.020 9.930 1.00 17.59 N ATOM 422 CA GLU A 54 -17.854 15.240 9.437 1.00 18.70 C ATOM 423 C GLU A 54 -16.902 14.651 10.448 1.00 18.70 C ATOM 424 O GLU A 54 -17.204 14.660 11.651 1.00 19.61 O ATOM 425 CB GLU A 54 -17.561 16.725 9.326 1.00 18.86 C ATOM 426 CG GLU A 54 -18.416 17.431 8.293 1.00 23.60 C ATOM 427 CD GLU A 54 -18.913 18.755 8.795 1.00 32.84 C ATOM 428 OE1 GLU A 54 -18.071 19.623 9.147 1.00 34.64 O ATOM 429 OE2 GLU A 54 -20.157 18.929 8.822 1.00 37.44 O ATOM 430 N ASN A 55 -15.763 14.159 9.977 1.00 18.44 N ATOM 431 CA ASN A 55 -14.776 13.507 10.847 1.00 17.97 C ATOM 432 C ASN A 55 -13.383 14.025 10.525 1.00 18.08 C ATOM 433 O ASN A 55 -13.051 14.191 9.353 1.00 17.34 O ATOM 434 CB ASN A 55 -14.877 11.989 10.649 1.00 18.09 C ATOM 435 CG ASN A 55 -13.729 11.220 11.265 1.00 20.38 C ATOM 436 OD1 ASN A 55 -12.831 10.776 10.551 1.00 23.35 O ATOM 437 ND2 ASN A 55 -13.733 11.079 12.591 1.00 18.65 N ATOM 438 N LYS A 56 -12.578 14.262 11.561 1.00 17.99 N ATOM 439 CA LYS A 56 -11.201 14.729 11.401 1.00 19.19 C ATOM 440 C LYS A 56 -10.317 14.219 12.536 1.00 19.24 C ATOM 441 O LYS A 56 -10.753 14.188 13.686 1.00 18.91 O ATOM 442 CB LYS A 56 -11.166 16.271 11.353 1.00 19.41 C ATOM 443 CG LYS A 56 -9.745 16.897 11.239 1.00 22.82 C ATOM 444 CD LYS A 56 -9.788 18.408 10.887 1.00 28.25 C ATOM 445 CE LYS A 56 -9.211 18.686 9.486 1.00 31.79 C ATOM 446 NZ LYS A 56 -7.776 18.294 9.349 1.00 35.87 N ATOM 447 N TYR A 57 -9.097 13.784 12.193 1.00 17.60 N ATOM 448 CA TYR A 57 -8.111 13.345 13.185 1.00 18.25 C ATOM 449 C TYR A 57 -7.168 14.496 13.503 1.00 20.25 C ATOM 450 O TYR A 57 -6.726 15.212 12.580 1.00 18.96 O ATOM 451 CB TYR A 57 -7.312 12.128 12.663 1.00 18.35 C ATOM 452 CG TYR A 57 -6.193 11.743 13.581 1.00 17.10 C ATOM 453 CD1 TYR A 57 -6.460 11.209 14.817 1.00 17.61 C ATOM 454 CD2 TYR A 57 -4.855 11.956 13.211 1.00 17.01 C ATOM 455 CE1 TYR A 57 -5.412 10.896 15.709 1.00 15.87 C ATOM 456 CE2 TYR A 57 -3.817 11.653 14.075 1.00 18.48 C ATOM 457 CZ TYR A 57 -4.117 11.114 15.331 1.00 17.20 C ATOM 458 OH TYR A 57 -3.119 10.768 16.221 1.00 18.25 O ATOM 459 N PHE A 58 -6.843 14.639 14.793 1.00 21.25 N ATOM 460 CA PHE A 58 -5.915 15.645 15.319 1.00 23.14 C ATOM 461 C PHE A 58 -4.694 14.955 15.981 1.00 22.77 C ATOM 462 O PHE A 58 -4.824 14.439 17.102 1.00 21.98 O ATOM 463 CB PHE A 58 -6.641 16.499 16.378 1.00 23.64 C ATOM 464 CG PHE A 58 -7.712 17.431 15.829 1.00 29.56 C ATOM 465 CD1 PHE A 58 -8.895 16.939 15.280 1.00 31.91 C ATOM 466 CD2 PHE A 58 -7.557 18.810 15.934 1.00 34.65 C ATOM 467 CE1 PHE A 58 -9.877 17.800 14.795 1.00 33.81 C ATOM 468 CE2 PHE A 58 -8.544 19.684 15.444 1.00 36.29 C ATOM 469 CZ PHE A 58 -9.702 19.168 14.873 1.00 35.83 C ATOM 470 N PRO A 59 -3.515 14.931 15.304 1.00 22.67 N ATOM 471 CA PRO A 59 -2.308 14.322 15.899 1.00 22.50 C ATOM 472 C PRO A 59 -1.871 15.086 17.159 1.00 21.31 C ATOM 473 O PRO A 59 -2.150 16.279 17.278 1.00 21.40 O ATOM 474 CB APRO A 59 -1.250 14.447 14.793 0.50 23.08 C ATOM 475 CB BPRO A 59 -1.245 14.461 14.797 0.50 23.07 C ATOM 476 CG APRO A 59 -1.757 15.528 13.891 0.50 22.79 C ATOM 477 CG BPRO A 59 -2.014 14.743 13.532 0.50 22.68 C ATOM 478 CD APRO A 59 -3.257 15.455 13.949 0.50 23.27 C ATOM 479 CD BPRO A 59 -3.261 15.461 13.951 0.50 23.26 C ATOM 480 N PRO A 60 -1.224 14.397 18.112 1.00 21.02 N ATOM 481 CA PRO A 60 -0.752 15.099 19.301 1.00 20.25 C ATOM 482 C PRO A 60 0.495 15.953 19.003 1.00 20.12 C ATOM 483 O PRO A 60 1.254 15.664 18.060 1.00 20.80 O ATOM 484 CB PRO A 60 -0.363 13.954 20.239 1.00 19.51 C ATOM 485 CG PRO A 60 0.080 12.872 19.289 1.00 19.14 C ATOM 486 CD PRO A 60 -0.898 12.956 18.158 1.00 19.98 C ATOM 487 N ASP A 61 0.733 16.952 19.835 1.00 20.36 N ATOM 488 CA ASP A 61 1.999 17.671 19.801 1.00 20.64 C ATOM 489 C ASP A 61 3.024 16.915 20.646 1.00 20.67 C ATOM 490 O ASP A 61 2.938 16.861 21.877 1.00 20.47 O ATOM 491 CB AASP A 61 1.744 19.079 20.379 0.50 21.05 C ATOM 492 CB BASP A 61 1.820 19.149 20.139 0.50 21.75 C ATOM 493 CG AASP A 61 3.000 19.949 20.487 0.50 21.79 C ATOM 494 CG BASP A 61 1.255 19.935 18.954 0.50 24.13 C ATOM 495 OD1AASP A 61 2.964 20.883 21.315 0.50 24.55 O ATOM 496 OD1BASP A 61 1.980 20.107 17.941 0.50 26.51 O ATOM 497 OD2AASP A 61 4.001 19.734 19.774 0.50 21.60 O ATOM 498 OD2BASP A 61 0.081 20.363 19.016 0.50 28.16 O ATOM 499 N SER A 62 3.972 16.271 19.963 1.00 19.86 N ATOM 500 CA SER A 62 4.889 15.329 20.622 1.00 18.67 C ATOM 501 C SER A 62 6.160 15.170 19.832 1.00 18.85 C ATOM 502 O SER A 62 6.123 15.134 18.600 1.00 20.12 O ATOM 503 CB SER A 62 4.227 13.950 20.730 1.00 18.73 C ATOM 504 OG SER A 62 5.128 13.057 21.368 1.00 18.93 O ATOM 505 N LYS A 63 7.292 15.011 20.510 1.00 18.31 N ATOM 506 CA LYS A 63 8.519 14.706 19.789 1.00 18.30 C ATOM 507 C LYS A 63 8.645 13.201 19.538 1.00 17.91 C ATOM 508 O LYS A 63 9.588 12.755 18.876 1.00 18.49 O ATOM 509 CB ALYS A 63 9.736 15.177 20.590 0.50 18.51 C ATOM 510 CB BLYS A 63 9.741 15.268 20.510 0.50 18.54 C ATOM 511 CG ALYS A 63 9.921 16.692 20.696 0.50 19.31 C ATOM 512 CG BLYS A 63 10.111 14.520 21.745 0.50 18.97 C ATOM 513 CD ALYS A 63 11.205 16.999 21.460 0.50 21.98 C ATOM 514 CD BLYS A 63 11.413 15.014 22.328 0.50 21.98 C ATOM 515 CE ALYS A 63 12.362 17.366 20.517 0.50 24.80 C ATOM 516 CE BLYS A 63 12.073 13.884 23.071 0.50 18.70 C ATOM 517 NZ ALYS A 63 13.720 17.036 21.057 0.50 26.17 N ATOM 518 NZ BLYS A 63 12.925 14.311 24.198 0.50 22.66 N ATOM 519 N LEU A 64 7.685 12.428 20.054 1.00 17.20 N ATOM 520 CA LEU A 64 7.754 10.959 20.002 1.00 16.06 C ATOM 521 C LEU A 64 6.843 10.398 18.908 1.00 16.16 C ATOM 522 O LEU A 64 5.956 11.085 18.387 1.00 17.07 O ATOM 523 CB LEU A 64 7.326 10.368 21.351 1.00 16.06 C ATOM 524 CG LEU A 64 8.115 10.872 22.577 1.00 15.77 C ATOM 525 CD1 LEU A 64 7.684 10.157 23.853 1.00 16.44 C ATOM 526 CD2 LEU A 64 9.622 10.749 22.388 1.00 12.39 C ATOM 527 N LEU A 65 7.051 9.132 18.567 1.00 15.21 N ATOM 528 CA LEU A 65 6.173 8.455 17.623 1.00 14.11 C ATOM 529 C LEU A 65 5.221 7.530 18.389 1.00 15.15 C ATOM 530 O LEU A 65 5.693 6.695 19.180 1.00 15.56 O ATOM 531 CB LEU A 65 7.030 7.592 16.713 1.00 13.84 C ATOM 532 CG LEU A 65 8.134 8.354 15.969 1.00 14.43 C ATOM 533 CD1 LEU A 65 8.999 7.309 15.292 1.00 15.95 C ATOM 534 CD2 LEU A 65 7.529 9.281 14.923 1.00 13.59 C ATOM 535 N GLY A 66 3.914 7.663 18.128 1.00 16.03 N ATOM 536 CA GLY A 66 2.914 6.753 18.701 1.00 16.02 C ATOM 537 C GLY A 66 2.113 7.274 19.889 1.00 16.66 C ATOM 538 O GLY A 66 1.298 6.536 20.473 1.00 15.63 O ATOM 539 N ALA A 67 2.344 8.529 20.252 1.00 16.17 N ATOM 540 CA ALA A 67 1.473 9.248 21.208 1.00 15.94 C ATOM 541 C ALA A 67 0.017 9.302 20.694 1.00 16.52 C ATOM 542 O ALA A 67 -0.208 9.448 19.491 1.00 17.30 O ATOM 543 CB ALA A 67 2.007 10.646 21.408 1.00 16.18 C ATOM 544 N GLY A 68 -0.964 9.169 21.596 1.00 16.56 N ATOM 545 CA GLY A 68 -2.391 9.227 21.185 1.00 16.89 C ATOM 546 C GLY A 68 -2.854 10.625 20.815 1.00 16.29 C ATOM 547 O GLY A 68 -2.434 11.622 21.431 1.00 16.35 O ATOM 548 N GLY A 69 -3.727 10.706 19.817 1.00 16.40 N ATOM 549 CA GLY A 69 -4.361 11.957 19.446 1.00 16.45 C ATOM 550 C GLY A 69 -5.846 11.921 19.740 1.00 17.32 C ATOM 551 O GLY A 69 -6.290 11.309 20.730 1.00 15.37 O ATOM 552 N THR A 70 -6.623 12.579 18.882 1.00 16.92 N ATOM 553 CA THR A 70 -8.046 12.764 19.160 1.00 17.95 C ATOM 554 C THR A 70 -8.794 12.740 17.819 1.00 17.76 C ATOM 555 O THR A 70 -8.296 13.323 16.845 1.00 17.79 O ATOM 556 CB ATHR A 70 -8.268 14.195 19.751 0.50 17.99 C ATOM 557 CB BTHR A 70 -8.274 14.048 19.990 0.50 18.59 C ATOM 558 OG1ATHR A 70 -7.412 14.397 20.879 0.50 15.58 O ATOM 559 OG1BTHR A 70 -9.541 13.984 20.652 0.50 20.95 O ATOM 560 CG2ATHR A 70 -9.720 14.437 20.160 0.50 18.52 C ATOM 561 CG2BTHR A 70 -8.198 15.263 19.118 0.50 18.15 C ATOM 562 N GLU A 71 -9.971 12.098 17.756 1.00 18.40 N ATOM 563 CA GLU A 71 -10.841 12.269 16.598 1.00 17.97 C ATOM 564 C GLU A 71 -11.985 13.192 16.952 1.00 18.88 C ATOM 565 O GLU A 71 -12.571 13.073 18.046 1.00 18.95 O ATOM 566 CB GLU A 71 -11.437 10.940 16.139 1.00 18.23 C ATOM 567 CG GLU A 71 -10.521 10.141 15.210 1.00 17.40 C ATOM 568 CD GLU A 71 -11.220 8.875 14.685 1.00 18.62 C ATOM 569 OE1 GLU A 71 -11.970 8.953 13.680 1.00 16.72 O ATOM 570 OE2 GLU A 71 -11.023 7.818 15.319 1.00 17.29 O ATOM 571 N HIS A 72 -12.316 14.094 16.036 1.00 18.74 N ATOM 572 CA HIS A 72 -13.526 14.894 16.190 1.00 20.29 C ATOM 573 C HIS A 72 -14.588 14.485 15.177 1.00 20.65 C ATOM 574 O HIS A 72 -14.292 14.333 13.977 1.00 22.32 O ATOM 575 CB HIS A 72 -13.201 16.376 16.010 1.00 20.57 C ATOM 576 CG HIS A 72 -12.251 16.915 17.036 1.00 25.46 C ATOM 577 ND1 HIS A 72 -12.263 18.235 17.433 1.00 30.18 N ATOM 578 CD2 HIS A 72 -11.250 16.321 17.730 1.00 28.92 C ATOM 579 CE1 HIS A 72 -11.307 18.432 18.327 1.00 32.29 C ATOM 580 NE2 HIS A 72 -10.678 17.288 18.524 1.00 32.56 N ATOM 581 N PHE A 73 -15.818 14.300 15.657 1.00 19.50 N ATOM 582 CA PHE A 73 -16.966 14.055 14.810 1.00 18.41 C ATOM 583 C PHE A 73 -17.874 15.280 14.962 1.00 19.68 C ATOM 584 O PHE A 73 -18.251 15.612 16.080 1.00 20.56 O ATOM 585 CB PHE A 73 -17.722 12.807 15.252 1.00 18.73 C ATOM 586 CG PHE A 73 -17.008 11.514 14.945 1.00 17.19 C ATOM 587 CD1 PHE A 73 -17.349 10.777 13.795 1.00 16.88 C ATOM 588 CD2 PHE A 73 -16.007 11.014 15.813 1.00 16.92 C ATOM 589 CE1 PHE A 73 -16.704 9.575 13.497 1.00 17.60 C ATOM 590 CE2 PHE A 73 -15.356 9.779 15.522 1.00 16.54 C ATOM 591 CZ PHE A 73 -15.715 9.074 14.368 1.00 16.01 C ATOM 592 N HIS A 74 -18.184 15.959 13.857 1.00 18.56 N ATOM 593 CA HIS A 74 -19.086 17.110 13.864 1.00 19.99 C ATOM 594 C HIS A 74 -20.430 16.591 13.367 1.00 19.54 C ATOM 595 O HIS A 74 -20.522 16.203 12.183 1.00 19.10 O ATOM 596 CB HIS A 74 -18.617 18.141 12.824 1.00 21.12 C ATOM 597 CG HIS A 74 -17.394 18.909 13.216 1.00 26.50 C ATOM 598 ND1 HIS A 74 -16.575 18.543 14.260 1.00 31.41 N ATOM 599 CD2 HIS A 74 -16.835 20.019 12.672 1.00 30.43 C ATOM 600 CE1 HIS A 74 -15.564 19.394 14.349 1.00 29.38 C ATOM 601 NE2 HIS A 74 -15.702 20.304 13.403 1.00 31.85 N ATOM 602 N VAL A 75 -21.450 16.558 14.232 1.00 18.47 N ATOM 603 CA VAL A 75 -22.753 16.005 13.840 1.00 18.35 C ATOM 604 C VAL A 75 -23.791 17.115 13.765 1.00 18.10 C ATOM 605 O VAL A 75 -23.930 17.905 14.712 1.00 18.16 O ATOM 606 CB VAL A 75 -23.228 14.906 14.840 1.00 18.87 C ATOM 607 CG1 VAL A 75 -24.587 14.300 14.385 1.00 17.41 C ATOM 608 CG2 VAL A 75 -22.155 13.813 14.992 1.00 20.79 C ATOM 609 N THR A 76 -24.499 17.201 12.634 1.00 17.38 N ATOM 610 CA THR A 76 -25.553 18.219 12.460 1.00 18.21 C ATOM 611 C THR A 76 -26.888 17.550 12.238 1.00 18.29 C ATOM 612 O THR A 76 -27.052 16.778 11.310 1.00 18.17 O ATOM 613 CB THR A 76 -25.266 19.204 11.290 1.00 18.77 C ATOM 614 OG1 THR A 76 -23.956 19.742 11.424 1.00 19.25 O ATOM 615 CG2 THR A 76 -26.246 20.362 11.318 1.00 18.48 C ATOM 616 N VAL A 77 -27.839 17.844 13.116 1.00 18.32 N ATOM 617 CA VAL A 77 -29.149 17.208 13.074 1.00 19.59 C ATOM 618 C VAL A 77 -29.997 17.956 12.041 1.00 19.07 C ATOM 619 O VAL A 77 -30.041 19.177 12.066 1.00 19.54 O ATOM 620 CB VAL A 77 -29.772 17.234 14.501 1.00 20.82 C ATOM 621 CG1 VAL A 77 -31.280 17.160 14.462 1.00 21.65 C ATOM 622 CG2 VAL A 77 -29.189 16.094 15.341 1.00 20.46 C ATOM 623 N LYS A 78 -30.654 17.218 11.146 1.00 18.09 N ATOM 624 CA LYS A 78 -31.372 17.804 9.980 1.00 18.53 C ATOM 625 C LYS A 78 -32.911 17.715 10.088 1.00 18.40 C ATOM 626 O LYS A 78 -33.650 18.364 9.319 1.00 17.50 O ATOM 627 CB LYS A 78 -30.888 17.136 8.669 1.00 18.52 C ATOM 628 CG LYS A 78 -29.373 17.264 8.387 1.00 21.81 C ATOM 629 CD LYS A 78 -29.028 18.705 8.032 1.00 25.88 C ATOM 630 CE LYS A 78 -27.611 18.860 7.556 1.00 29.88 C ATOM 631 NZ LYS A 78 -27.467 20.237 6.969 1.00 32.08 N ATOM 632 N ALA A 79 -33.406 16.947 11.059 1.00 17.52 N ATOM 633 CA ALA A 79 -34.858 16.771 11.230 1.00 16.76 C ATOM 634 C ALA A 79 -35.170 16.412 12.670 1.00 16.93 C ATOM 635 O ALA A 79 -34.274 15.968 13.391 1.00 16.27 O ATOM 636 CB ALA A 79 -35.386 15.663 10.296 1.00 18.21 C ATOM 637 N ALA A 80 -36.436 16.619 13.057 1.00 15.86 N ATOM 638 CA ALA A 80 -36.963 16.183 14.339 1.00 15.86 C ATOM 639 C ALA A 80 -36.728 14.670 14.473 1.00 15.84 C ATOM 640 O ALA A 80 -36.913 13.921 13.515 1.00 15.75 O ATOM 641 CB ALA A 80 -38.472 16.519 14.422 1.00 16.27 C ATOM 642 N GLY A 81 -36.279 14.233 15.645 1.00 14.97 N ATOM 643 CA GLY A 81 -36.130 12.803 15.931 1.00 14.69 C ATOM 644 C GLY A 81 -35.304 12.603 17.183 1.00 15.19 C ATOM 645 O GLY A 81 -34.914 13.578 17.841 1.00 15.12 O ATOM 646 N THR A 82 -35.067 11.341 17.530 1.00 13.81 N ATOM 647 CA THR A 82 -34.125 10.995 18.597 1.00 13.90 C ATOM 648 C THR A 82 -33.004 10.240 17.895 1.00 14.78 C ATOM 649 O THR A 82 -33.139 9.058 17.566 1.00 15.06 O ATOM 650 CB THR A 82 -34.801 10.154 19.711 1.00 14.17 C ATOM 651 OG1 THR A 82 -35.939 10.874 20.223 1.00 13.04 O ATOM 652 CG2 THR A 82 -33.801 9.878 20.856 1.00 13.15 C ATOM 653 N HIS A 83 -31.916 10.949 17.619 1.00 15.38 N ATOM 654 CA HIS A 83 -30.900 10.429 16.726 1.00 15.62 C ATOM 655 C HIS A 83 -29.796 9.737 17.513 1.00 16.28 C ATOM 656 O HIS A 83 -29.113 10.365 18.313 1.00 17.18 O ATOM 657 CB HIS A 83 -30.330 11.571 15.896 1.00 15.31 C ATOM 658 CG HIS A 83 -31.362 12.310 15.087 1.00 16.07 C ATOM 659 ND1 HIS A 83 -31.792 11.888 13.847 1.00 16.74 N ATOM 660 CD2 HIS A 83 -32.035 13.455 15.346 1.00 15.47 C ATOM 661 CE1 HIS A 83 -32.671 12.749 13.364 1.00 16.51 C ATOM 662 NE2 HIS A 83 -32.833 13.718 14.252 1.00 15.25 N ATOM 663 N ALA A 84 -29.619 8.441 17.295 1.00 16.23 N ATOM 664 CA ALA A 84 -28.605 7.692 18.016 1.00 16.71 C ATOM 665 C ALA A 84 -27.311 7.729 17.243 1.00 17.31 C ATOM 666 O ALA A 84 -27.273 7.350 16.063 1.00 17.86 O ATOM 667 CB ALA A 84 -29.060 6.237 18.216 1.00 17.61 C ATOM 668 N VAL A 85 -26.248 8.147 17.916 1.00 17.39 N ATOM 669 CA VAL A 85 -24.900 8.168 17.337 1.00 17.74 C ATOM 670 C VAL A 85 -24.090 7.089 18.057 1.00 17.71 C ATOM 671 O VAL A 85 -23.783 7.219 19.252 1.00 18.31 O ATOM 672 CB VAL A 85 -24.239 9.533 17.518 1.00 18.51 C ATOM 673 CG1 VAL A 85 -22.852 9.536 16.918 1.00 19.46 C ATOM 674 CG2 VAL A 85 -25.125 10.620 16.907 1.00 19.87 C ATOM 675 N ASN A 86 -23.794 6.004 17.335 1.00 16.62 N ATOM 676 CA ASN A 86 -23.204 4.805 17.927 1.00 16.49 C ATOM 677 C ASN A 86 -21.841 4.497 17.316 1.00 17.43 C ATOM 678 O ASN A 86 -21.762 4.170 16.129 1.00 17.65 O ATOM 679 CB AASN A 86 -24.143 3.598 17.792 0.50 17.27 C ATOM 680 CB BASN A 86 -24.128 3.615 17.698 0.50 16.92 C ATOM 681 CG AASN A 86 -25.053 3.425 19.003 0.50 17.51 C ATOM 682 CG BASN A 86 -25.479 3.817 18.325 0.50 16.34 C ATOM 683 OD1AASN A 86 -24.582 3.317 20.133 0.50 19.22 O ATOM 684 OD1BASN A 86 -25.577 4.219 19.486 0.50 16.02 O ATOM 685 ND2AASN A 86 -26.363 3.394 18.766 0.50 18.46 N ATOM 686 ND2BASN A 86 -26.534 3.532 17.567 0.50 17.29 N ATOM 687 N LEU A 87 -20.785 4.664 18.104 1.00 16.64 N ATOM 688 CA LEU A 87 -19.431 4.481 17.567 1.00 16.86 C ATOM 689 C LEU A 87 -18.706 3.343 18.280 1.00 17.33 C ATOM 690 O LEU A 87 -19.000 3.065 19.423 1.00 16.98 O ATOM 691 CB LEU A 87 -18.634 5.793 17.699 1.00 16.53 C ATOM 692 CG LEU A 87 -19.167 6.996 16.905 1.00 17.50 C ATOM 693 CD1 LEU A 87 -18.437 8.284 17.352 1.00 17.30 C ATOM 694 CD2 LEU A 87 -19.061 6.797 15.390 1.00 19.23 C ATOM 695 N THR A 88 -17.782 2.695 17.576 1.00 17.22 N ATOM 696 CA THR A 88 -16.961 1.603 18.095 1.00 17.16 C ATOM 697 C THR A 88 -15.480 1.826 17.762 1.00 17.00 C ATOM 698 O THR A 88 -15.135 2.200 16.637 1.00 17.40 O ATOM 699 CB THR A 88 -17.422 0.210 17.541 1.00 17.11 C ATOM 700 OG1 THR A 88 -18.836 0.008 17.801 1.00 17.52 O ATOM 701 CG2 THR A 88 -16.670 -0.932 18.201 1.00 17.90 C ATOM 702 N TYR A 89 -14.616 1.599 18.747 1.00 16.51 N ATOM 703 CA TYR A 89 -13.173 1.792 18.527 1.00 16.66 C ATOM 704 C TYR A 89 -12.562 0.455 18.138 1.00 16.74 C ATOM 705 O TYR A 89 -12.608 -0.498 18.910 1.00 18.31 O ATOM 706 CB TYR A 89 -12.518 2.367 19.786 1.00 15.90 C ATOM 707 CG TYR A 89 -11.093 2.849 19.640 1.00 16.78 C ATOM 708 CD1 TYR A 89 -10.792 3.976 18.867 1.00 15.96 C ATOM 709 CD2 TYR A 89 -10.048 2.223 20.352 1.00 17.85 C ATOM 710 CE1 TYR A 89 -9.485 4.477 18.788 1.00 17.68 C ATOM 711 CE2 TYR A 89 -8.717 2.716 20.264 1.00 17.81 C ATOM 712 CZ TYR A 89 -8.467 3.845 19.479 1.00 17.24 C ATOM 713 OH TYR A 89 -7.189 4.321 19.367 1.00 17.16 O ATOM 714 N MET A 90 -12.009 0.371 16.934 1.00 16.22 N ATOM 715 CA MET A 90 -11.576 -0.916 16.383 1.00 16.11 C ATOM 716 C MET A 90 -10.549 -0.744 15.246 1.00 15.55 C ATOM 717 O MET A 90 -10.393 0.344 14.659 1.00 16.14 O ATOM 718 CB MET A 90 -12.808 -1.658 15.838 1.00 16.44 C ATOM 719 CG MET A 90 -13.474 -0.955 14.644 1.00 18.05 C ATOM 720 SD MET A 90 -14.841 -1.989 14.034 1.00 22.39 S ATOM 721 CE MET A 90 -15.475 -0.979 12.704 1.00 21.54 C ATOM 722 N ARG A 91 -9.870 -1.830 14.907 1.00 14.58 N ATOM 723 CA ARG A 91 -9.076 -1.848 13.694 1.00 15.18 C ATOM 724 C ARG A 91 -10.068 -2.257 12.610 1.00 15.37 C ATOM 725 O ARG A 91 -10.745 -3.299 12.741 1.00 16.38 O ATOM 726 CB ARG A 91 -7.992 -2.924 13.842 1.00 14.09 C ATOM 727 CG ARG A 91 -6.866 -2.485 14.807 1.00 16.85 C ATOM 728 CD ARG A 91 -5.837 -3.603 14.986 1.00 15.59 C ATOM 729 NE ARG A 91 -4.568 -3.044 15.492 1.00 15.06 N ATOM 730 CZ ARG A 91 -3.471 -3.769 15.725 1.00 17.97 C ATOM 731 NH1 ARG A 91 -3.491 -5.088 15.480 1.00 16.23 N ATOM 732 NH2 ARG A 91 -2.349 -3.188 16.192 1.00 14.74 N ATOM 733 N PRO A 92 -10.202 -1.435 11.541 1.00 15.53 N ATOM 734 CA PRO A 92 -11.300 -1.681 10.602 1.00 15.46 C ATOM 735 C PRO A 92 -11.211 -3.003 9.829 1.00 14.70 C ATOM 736 O PRO A 92 -12.245 -3.529 9.427 1.00 15.13 O ATOM 737 CB PRO A 92 -11.250 -0.447 9.666 1.00 15.59 C ATOM 738 CG PRO A 92 -9.816 0.011 9.735 1.00 15.18 C ATOM 739 CD PRO A 92 -9.459 -0.200 11.213 1.00 15.86 C ATOM 740 N TRP A 93 -9.992 -3.506 9.634 1.00 14.45 N ATOM 741 CA TRP A 93 -9.797 -4.734 8.869 1.00 13.77 C ATOM 742 C TRP A 93 -10.045 -5.973 9.706 1.00 14.64 C ATOM 743 O TRP A 93 -10.093 -7.085 9.158 1.00 16.02 O ATOM 744 CB TRP A 93 -8.408 -4.777 8.250 1.00 13.60 C ATOM 745 CG TRP A 93 -7.278 -5.006 9.243 1.00 13.81 C ATOM 746 CD1 TRP A 93 -6.711 -6.217 9.569 1.00 15.08 C ATOM 747 CD2 TRP A 93 -6.562 -4.011 9.983 1.00 13.98 C ATOM 748 NE1 TRP A 93 -5.703 -6.026 10.488 1.00 13.99 N ATOM 749 CE2 TRP A 93 -5.577 -4.686 10.748 1.00 13.61 C ATOM 750 CE3 TRP A 93 -6.632 -2.598 10.057 1.00 14.26 C ATOM 751 CZ2 TRP A 93 -4.685 -4.002 11.605 1.00 14.27 C ATOM 752 CZ3 TRP A 93 -5.740 -1.906 10.916 1.00 14.59 C ATOM 753 CH2 TRP A 93 -4.778 -2.606 11.670 1.00 14.17 C ATOM 754 N THR A 94 -10.216 -5.774 11.015 1.00 15.59 N ATOM 755 CA THR A 94 -10.392 -6.869 11.966 1.00 16.80 C ATOM 756 C THR A 94 -11.844 -6.857 12.391 1.00 16.81 C ATOM 757 O THR A 94 -12.438 -7.931 12.605 1.00 17.44 O ATOM 758 CB THR A 94 -9.462 -6.636 13.217 1.00 16.39 C ATOM 759 OG1 THR A 94 -8.094 -6.636 12.782 1.00 19.36 O ATOM 760 CG2 THR A 94 -9.632 -7.719 14.283 1.00 19.23 C ATOM 761 N GLY A 95 -12.405 -5.652 12.494 1.00 17.13 N ATOM 762 CA GLY A 95 -13.802 -5.443 12.927 1.00 19.55 C ATOM 763 C GLY A 95 -13.980 -5.485 14.438 1.00 20.23 C ATOM 764 O GLY A 95 -13.006 -5.594 15.177 1.00 20.11 O ATOM 765 N PRO A 96 -15.227 -5.384 14.902 1.00 22.08 N ATOM 766 CA PRO A 96 -15.482 -5.279 16.342 1.00 23.53 C ATOM 767 C PRO A 96 -15.558 -6.630 17.065 1.00 25.69 C ATOM 768 O PRO A 96 -15.686 -7.689 16.419 1.00 25.85 O ATOM 769 CB PRO A 96 -16.823 -4.557 16.394 1.00 23.49 C ATOM 770 CG PRO A 96 -17.552 -5.022 15.168 1.00 23.39 C ATOM 771 CD PRO A 96 -16.469 -5.349 14.111 1.00 22.26 C ATOM 772 N SER A 97 -15.440 -6.595 18.391 1.00 27.31 N ATOM 773 CA SER A 97 -15.821 -7.734 19.226 1.00 29.84 C ATOM 774 C SER A 97 -16.668 -7.251 20.389 1.00 30.95 C ATOM 775 O SER A 97 -16.900 -6.043 20.541 1.00 30.90 O ATOM 776 CB SER A 97 -14.594 -8.489 19.726 1.00 30.74 C ATOM 777 OG SER A 97 -13.838 -7.705 20.631 1.00 32.18 O ATOM 778 N HIS A 98 -17.136 -8.201 21.204 1.00 32.37 N ATOM 779 CA HIS A 98 -17.900 -7.906 22.409 1.00 33.63 C ATOM 780 C HIS A 98 -17.118 -6.967 23.324 1.00 33.12 C ATOM 781 O HIS A 98 -17.704 -6.097 23.950 1.00 33.17 O ATOM 782 CB HIS A 98 -18.233 -9.213 23.146 1.00 34.27 C ATOM 783 CG HIS A 98 -18.901 -9.020 24.477 1.00 38.11 C ATOM 784 ND1 HIS A 98 -18.255 -9.249 25.678 1.00 40.68 N ATOM 785 CD2 HIS A 98 -20.164 -8.644 24.797 1.00 40.66 C ATOM 786 CE1 HIS A 98 -19.091 -9.014 26.676 1.00 41.22 C ATOM 787 NE2 HIS A 98 -20.253 -8.641 26.169 1.00 41.95 N ATOM 788 N ASP A 99 -15.801 -7.154 23.387 1.00 32.97 N ATOM 789 CA ASP A 99 -14.928 -6.343 24.246 1.00 32.65 C ATOM 790 C ASP A 99 -14.606 -4.935 23.723 1.00 30.88 C ATOM 791 O ASP A 99 -14.082 -4.125 24.482 1.00 31.16 O ATOM 792 CB ASP A 99 -13.608 -7.076 24.526 1.00 33.77 C ATOM 793 CG ASP A 99 -13.789 -8.297 25.433 1.00 36.92 C ATOM 794 OD1 ASP A 99 -14.772 -8.349 26.212 1.00 38.62 O ATOM 795 OD2 ASP A 99 -12.925 -9.204 25.368 1.00 41.43 O ATOM 796 N SER A 100 -14.893 -4.638 22.448 1.00 28.50 N ATOM 797 CA SER A 100 -14.500 -3.348 21.857 1.00 25.89 C ATOM 798 C SER A 100 -15.080 -2.166 22.645 1.00 24.60 C ATOM 799 O SER A 100 -16.232 -2.213 23.090 1.00 25.14 O ATOM 800 CB SER A 100 -14.987 -3.218 20.406 1.00 25.83 C ATOM 801 OG SER A 100 -14.347 -4.112 19.513 1.00 23.82 O ATOM 802 N GLU A 101 -14.306 -1.098 22.766 1.00 23.32 N ATOM 803 CA GLU A 101 -14.796 0.132 23.384 1.00 21.71 C ATOM 804 C GLU A 101 -15.865 0.799 22.514 1.00 20.56 C ATOM 805 O GLU A 101 -15.716 0.900 21.300 1.00 18.67 O ATOM 806 CB GLU A 101 -13.651 1.107 23.620 1.00 22.29 C ATOM 807 CG GLU A 101 -14.064 2.362 24.384 1.00 26.40 C ATOM 808 CD GLU A 101 -12.927 3.376 24.547 1.00 31.95 C ATOM 809 OE1 GLU A 101 -11.735 3.040 24.251 1.00 33.34 O ATOM 810 OE2 GLU A 101 -13.241 4.516 24.975 1.00 31.99 O ATOM 811 N ARG A 102 -16.943 1.247 23.155 1.00 18.89 N ATOM 812 CA ARG A 102 -18.043 1.886 22.428 1.00 19.52 C ATOM 813 C ARG A 102 -18.409 3.236 23.019 1.00 19.13 C ATOM 814 O ARG A 102 -18.166 3.501 24.194 1.00 18.80 O ATOM 815 CB ARG A 102 -19.259 0.959 22.391 1.00 20.14 C ATOM 816 CG ARG A 102 -18.961 -0.234 21.465 1.00 23.13 C ATOM 817 CD ARG A 102 -20.035 -1.285 21.414 1.00 29.92 C ATOM 818 NE ARG A 102 -19.780 -2.226 20.306 1.00 32.46 N ATOM 819 CZ ARG A 102 -19.113 -3.383 20.409 1.00 33.94 C ATOM 820 NH1 ARG A 102 -18.594 -3.790 21.567 1.00 32.84 N ATOM 821 NH2 ARG A 102 -18.955 -4.138 19.329 1.00 32.74 N ATOM 822 N PHE A 103 -18.947 4.100 22.172 1.00 18.52 N ATOM 823 CA PHE A 103 -19.423 5.400 22.613 1.00 18.36 C ATOM 824 C PHE A 103 -20.785 5.643 21.990 1.00 18.58 C ATOM 825 O PHE A 103 -20.942 5.439 20.793 1.00 17.46 O ATOM 826 CB PHE A 103 -18.470 6.508 22.177 1.00 18.13 C ATOM 827 CG PHE A 103 -18.980 7.871 22.550 1.00 17.91 C ATOM 828 CD1 PHE A 103 -18.865 8.323 23.863 1.00 18.67 C ATOM 829 CD2 PHE A 103 -19.641 8.655 21.613 1.00 19.31 C ATOM 830 CE1 PHE A 103 -19.378 9.563 24.237 1.00 18.96 C ATOM 831 CE2 PHE A 103 -20.170 9.909 21.979 1.00 19.60 C ATOM 832 CZ PHE A 103 -20.026 10.354 23.303 1.00 19.67 C ATOM 833 N THR A 104 -21.742 6.120 22.798 1.00 17.93 N ATOM 834 CA THR A 104 -23.090 6.447 22.304 1.00 19.18 C ATOM 835 C THR A 104 -23.511 7.787 22.877 1.00 18.18 C ATOM 836 O THR A 104 -23.297 8.051 24.069 1.00 17.82 O ATOM 837 CB THR A 104 -24.114 5.389 22.801 1.00 19.84 C ATOM 838 OG1 THR A 104 -23.814 4.119 22.233 1.00 24.92 O ATOM 839 CG2 THR A 104 -25.548 5.762 22.460 1.00 19.97 C ATOM 840 N VAL A 105 -24.116 8.621 22.035 1.00 18.01 N ATOM 841 CA VAL A 105 -24.861 9.809 22.483 1.00 17.95 C ATOM 842 C VAL A 105 -26.166 9.893 21.675 1.00 17.99 C ATOM 843 O VAL A 105 -26.216 9.468 20.510 1.00 17.95 O ATOM 844 CB VAL A 105 -23.978 11.092 22.378 1.00 17.91 C ATOM 845 CG1 VAL A 105 -23.623 11.417 20.890 1.00 18.60 C ATOM 846 CG2 VAL A 105 -24.620 12.306 23.098 1.00 19.26 C ATOM 847 N TYR A 106 -27.230 10.407 22.295 1.00 17.74 N ATOM 848 CA TYR A 106 -28.493 10.593 21.593 1.00 17.01 C ATOM 849 C TYR A 106 -28.683 12.064 21.409 1.00 17.61 C ATOM 850 O TYR A 106 -28.482 12.841 22.368 1.00 17.78 O ATOM 851 CB TYR A 106 -29.663 10.027 22.410 1.00 17.12 C ATOM 852 CG TYR A 106 -29.469 8.573 22.651 1.00 16.37 C ATOM 853 CD1 TYR A 106 -29.795 7.637 21.669 1.00 16.70 C ATOM 854 CD2 TYR A 106 -28.892 8.133 23.845 1.00 19.03 C ATOM 855 CE1 TYR A 106 -29.564 6.266 21.893 1.00 18.34 C ATOM 856 CE2 TYR A 106 -28.669 6.804 24.089 1.00 19.90 C ATOM 857 CZ TYR A 106 -29.013 5.868 23.115 1.00 20.91 C ATOM 858 OH TYR A 106 -28.767 4.546 23.382 1.00 20.28 O ATOM 859 N LEU A 107 -29.022 12.450 20.177 1.00 17.73 N ATOM 860 CA LEU A 107 -29.316 13.857 19.865 1.00 17.27 C ATOM 861 C LEU A 107 -30.802 14.020 19.570 1.00 17.54 C ATOM 862 O LEU A 107 -31.317 13.515 18.549 1.00 17.10 O ATOM 863 CB LEU A 107 -28.473 14.370 18.691 1.00 17.58 C ATOM 864 CG LEU A 107 -26.961 14.111 18.774 1.00 18.88 C ATOM 865 CD1 LEU A 107 -26.272 14.703 17.557 1.00 20.47 C ATOM 866 CD2 LEU A 107 -26.370 14.722 20.067 1.00 19.33 C ATOM 867 N LYS A 108 -31.489 14.724 20.460 1.00 16.89 N ATOM 868 CA LYS A 108 -32.938 14.794 20.374 1.00 18.03 C ATOM 869 C LYS A 108 -33.396 16.161 19.916 1.00 19.52 C ATOM 870 O LYS A 108 -33.133 17.159 20.609 1.00 19.87 O ATOM 871 CB LYS A 108 -33.597 14.464 21.704 1.00 18.66 C ATOM 872 CG LYS A 108 -35.142 14.473 21.567 1.00 18.81 C ATOM 873 CD LYS A 108 -35.820 13.799 22.711 1.00 21.32 C ATOM 874 CE LYS A 108 -37.291 13.510 22.384 1.00 19.69 C ATOM 875 NZ LYS A 108 -38.139 14.739 22.099 1.00 18.47 N ATOM 876 N ALA A 109 -34.090 16.192 18.765 1.00 18.71 N ATOM 877 CA ALA A 109 -34.601 17.432 18.181 1.00 19.68 C ATOM 878 C ALA A 109 -36.102 17.349 18.042 1.00 20.88 C ATOM 879 O ALA A 109 -36.620 16.366 17.524 1.00 18.81 O ATOM 880 CB ALA A 109 -33.971 17.676 16.816 1.00 19.13 C ATOM 881 N ASN A 110 -36.780 18.402 18.495 1.00 23.30 N ATOM 882 CA ASN A 110 -38.215 18.503 18.375 1.00 26.74 C ATOM 883 C ASN A 110 -38.646 19.221 17.108 1.00 27.71 C ATOM 884 O ASN A 110 -37.844 19.885 16.442 1.00 29.32 O ATOM 885 CB ASN A 110 -38.779 19.166 19.621 1.00 27.09 C ATOM 886 CG ASN A 110 -38.676 18.257 20.823 1.00 31.17 C ATOM 887 OD1 ASN A 110 -39.399 17.254 20.916 1.00 36.52 O ATOM 888 ND2 ASN A 110 -37.754 18.568 21.735 1.00 34.22 N ATOM 889 OXT ASN A 110 -39.803 19.128 16.688 1.00 29.61 O TER 890 ASN A 110 ATOM 891 N AGLU B 1P 24.585 3.244 -8.600 0.50 33.72 N ATOM 892 N BGLU B 1P 22.530 5.426 -7.214 0.50 35.38 N ATOM 893 CA AGLU B 1P 25.417 2.336 -7.757 0.50 33.93 C ATOM 894 CA BGLU B 1P 23.445 4.327 -6.784 0.50 35.18 C ATOM 895 C AGLU B 1P 24.559 1.203 -7.209 0.50 33.10 C ATOM 896 C BGLU B 1P 22.673 3.150 -6.194 0.50 34.46 C ATOM 897 O AGLU B 1P 24.641 0.061 -7.661 0.50 33.48 O ATOM 898 O BGLU B 1P 21.623 3.339 -5.570 0.50 34.79 O ATOM 899 CB AGLU B 1P 26.047 3.105 -6.586 0.50 34.40 C ATOM 900 CB BGLU B 1P 24.507 4.835 -5.787 0.50 35.57 C ATOM 901 CG AGLU B 1P 26.633 4.465 -6.953 0.50 35.99 C ATOM 902 CG BGLU B 1P 24.014 5.809 -4.692 0.50 37.08 C ATOM 903 CD AGLU B 1P 27.199 5.213 -5.760 0.50 37.81 C ATOM 904 CD BGLU B 1P 23.061 5.178 -3.680 0.50 39.71 C ATOM 905 OE1AGLU B 1P 26.620 5.125 -4.651 0.50 39.00 O ATOM 906 OE1BGLU B 1P 23.346 4.053 -3.212 0.50 40.18 O ATOM 907 OE2AGLU B 1P 28.229 5.899 -5.938 0.50 38.44 O ATOM 908 OE2BGLU B 1P 22.028 5.811 -3.351 0.50 40.09 O ATOM 909 N AALA B 1 23.743 1.540 -6.219 0.50 32.13 N ATOM 910 N BALA B 1 23.186 1.937 -6.395 0.50 33.28 N ATOM 911 CA AALA B 1 22.788 0.613 -5.612 0.50 30.99 C ATOM 912 CA BALA B 1 22.595 0.768 -5.752 0.50 31.69 C ATOM 913 C AALA B 1 21.968 -0.177 -6.652 0.50 29.89 C ATOM 914 C BALA B 1 21.906 -0.187 -6.747 0.50 30.29 C ATOM 915 O AALA B 1 21.770 0.298 -7.770 0.50 30.22 O ATOM 916 O BALA B 1 21.766 0.143 -7.927 0.50 30.55 O ATOM 917 CB AALA B 1 21.860 1.383 -4.661 0.50 31.15 C ATOM 918 CB BALA B 1 21.619 1.232 -4.664 0.50 31.94 C ATOM 919 N PRO B 2 21.495 -1.390 -6.283 1.00 28.96 N ATOM 920 CA PRO B 2 20.633 -2.247 -7.112 1.00 26.66 C ATOM 921 C PRO B 2 19.256 -1.613 -7.404 1.00 24.54 C ATOM 922 O PRO B 2 18.809 -0.741 -6.651 1.00 23.49 O ATOM 923 CB PRO B 2 20.407 -3.481 -6.228 1.00 26.43 C ATOM 924 CG PRO B 2 21.429 -3.433 -5.207 1.00 27.59 C ATOM 925 CD PRO B 2 21.797 -2.032 -4.981 1.00 28.24 C ATOM 926 N ARG B 3 18.575 -2.092 -8.447 1.00 22.10 N ATOM 927 CA ARG B 3 17.212 -1.611 -8.762 1.00 21.19 C ATOM 928 C ARG B 3 16.167 -2.105 -7.783 1.00 20.31 C ATOM 929 O ARG B 3 15.082 -1.512 -7.652 1.00 19.20 O ATOM 930 CB AARG B 3 16.785 -2.159 -10.131 0.50 21.77 C ATOM 931 CB BARG B 3 16.845 -1.834 -10.231 0.50 21.65 C ATOM 932 CG AARG B 3 17.352 -1.459 -11.346 0.50 22.97 C ATOM 933 CG BARG B 3 17.655 -0.909 -11.128 0.50 21.74 C ATOM 934 CD AARG B 3 16.276 -0.649 -12.075 0.50 25.75 C ATOM 935 CD BARG B 3 17.316 -1.046 -12.605 0.50 24.91 C ATOM 936 NE AARG B 3 15.268 -1.462 -12.768 0.50 26.57 N ATOM 937 NE BARG B 3 18.170 -0.166 -13.401 0.50 26.59 N ATOM 938 CZ AARG B 3 15.268 -1.708 -14.078 0.50 27.51 C ATOM 939 CZ BARG B 3 18.154 -0.093 -14.728 0.50 27.49 C ATOM 940 NH1AARG B 3 14.304 -2.449 -14.620 0.50 26.72 N ATOM 941 NH1BARG B 3 18.976 0.739 -15.351 0.50 28.69 N ATOM 942 NH2AARG B 3 16.238 -1.227 -14.848 0.50 27.64 N ATOM 943 NH2BARG B 3 17.327 -0.852 -15.434 0.50 28.19 N ATOM 944 N SER B 4 16.477 -3.212 -7.108 1.00 18.65 N ATOM 945 CA SER B 4 15.592 -3.744 -6.072 1.00 17.97 C ATOM 946 C SER B 4 16.425 -4.451 -4.995 1.00 17.41 C ATOM 947 O SER B 4 17.487 -5.052 -5.295 1.00 17.85 O ATOM 948 CB SER B 4 14.576 -4.738 -6.655 1.00 18.95 C ATOM 949 OG ASER B 4 15.242 -5.726 -7.409 0.50 15.38 O ATOM 950 OG BSER B 4 13.823 -4.182 -7.720 0.50 20.71 O ATOM 951 N VAL B 5 15.910 -4.419 -3.770 1.00 16.36 N ATOM 952 CA VAL B 5 16.556 -5.013 -2.611 1.00 15.80 C ATOM 953 C VAL B 5 15.430 -5.597 -1.756 1.00 15.62 C ATOM 954 O VAL B 5 14.374 -4.973 -1.625 1.00 14.63 O ATOM 955 CB VAL B 5 17.354 -3.927 -1.796 1.00 15.75 C ATOM 956 CG1 VAL B 5 17.733 -4.432 -0.354 1.00 16.51 C ATOM 957 CG2 VAL B 5 18.587 -3.476 -2.577 1.00 14.62 C ATOM 958 N ASP B 6 15.624 -6.796 -1.194 1.00 15.01 N ATOM 959 CA ASP B 6 14.644 -7.317 -0.240 1.00 16.04 C ATOM 960 C ASP B 6 15.330 -8.216 0.773 1.00 14.87 C ATOM 961 O ASP B 6 15.621 -9.392 0.500 1.00 12.75 O ATOM 962 CB ASP B 6 13.479 -8.048 -0.948 1.00 16.99 C ATOM 963 CG ASP B 6 12.367 -8.497 0.017 1.00 20.28 C ATOM 964 OD1 ASP B 6 12.529 -8.425 1.262 1.00 18.69 O ATOM 965 OD2 ASP B 6 11.300 -8.932 -0.495 1.00 22.44 O ATOM 966 N TRP B 7 15.567 -7.641 1.957 1.00 14.41 N ATOM 967 CA TRP B 7 16.346 -8.308 3.003 1.00 14.17 C ATOM 968 C TRP B 7 15.615 -9.524 3.590 1.00 14.31 C ATOM 969 O TRP B 7 16.232 -10.371 4.234 1.00 14.08 O ATOM 970 CB TRP B 7 16.754 -7.312 4.105 1.00 14.52 C ATOM 971 CG TRP B 7 17.786 -6.307 3.608 1.00 14.61 C ATOM 972 CD1 TRP B 7 17.595 -4.977 3.403 1.00 16.23 C ATOM 973 CD2 TRP B 7 19.155 -6.576 3.257 1.00 14.95 C ATOM 974 NE1 TRP B 7 18.756 -4.390 2.945 1.00 15.52 N ATOM 975 CE2 TRP B 7 19.730 -5.350 2.841 1.00 16.87 C ATOM 976 CE3 TRP B 7 19.963 -7.736 3.275 1.00 16.66 C ATOM 977 CZ2 TRP B 7 21.086 -5.243 2.444 1.00 16.85 C ATOM 978 CZ3 TRP B 7 21.292 -7.636 2.850 1.00 18.50 C ATOM 979 CH2 TRP B 7 21.838 -6.396 2.435 1.00 16.63 C ATOM 980 N ARG B 8 14.305 -9.625 3.376 1.00 15.24 N ATOM 981 CA ARG B 8 13.589 -10.845 3.825 1.00 15.02 C ATOM 982 C ARG B 8 14.164 -12.083 3.145 1.00 16.42 C ATOM 983 O ARG B 8 14.296 -13.150 3.754 1.00 16.30 O ATOM 984 CB ARG B 8 12.088 -10.769 3.501 1.00 15.64 C ATOM 985 CG ARG B 8 11.343 -9.724 4.275 1.00 15.83 C ATOM 986 CD ARG B 8 9.897 -9.713 3.840 1.00 16.25 C ATOM 987 NE ARG B 8 9.761 -9.146 2.496 1.00 17.51 N ATOM 988 CZ ARG B 8 8.598 -8.932 1.891 1.00 20.23 C ATOM 989 NH1 ARG B 8 7.450 -9.218 2.498 1.00 16.35 N ATOM 990 NH2 ARG B 8 8.598 -8.438 0.660 1.00 22.23 N ATOM 991 N GLU B 9 14.522 -11.925 1.873 1.00 17.21 N ATOM 992 CA GLU B 9 15.038 -13.042 1.090 1.00 18.05 C ATOM 993 C GLU B 9 16.474 -13.437 1.489 1.00 18.05 C ATOM 994 O GLU B 9 16.991 -14.470 1.038 1.00 18.25 O ATOM 995 CB AGLU B 9 14.975 -12.664 -0.416 0.50 18.29 C ATOM 996 CB BGLU B 9 14.883 -12.815 -0.413 0.50 18.57 C ATOM 997 CG AGLU B 9 13.529 -12.473 -0.959 0.50 17.76 C ATOM 998 CG BGLU B 9 15.679 -11.680 -0.943 0.50 18.73 C ATOM 999 CD AGLU B 9 13.402 -11.808 -2.347 0.50 20.71 C ATOM 1000 CD BGLU B 9 15.508 -11.483 -2.424 0.50 20.88 C ATOM 1001 OE1AGLU B 9 14.319 -11.100 -2.818 0.50 19.98 O ATOM 1002 OE1BGLU B 9 14.495 -11.983 -2.992 0.50 19.93 O ATOM 1003 OE2AGLU B 9 12.323 -11.950 -2.966 0.50 20.50 O ATOM 1004 OE2BGLU B 9 16.392 -10.805 -2.995 0.50 16.64 O ATOM 1005 N LYS B 10 17.114 -12.611 2.314 1.00 17.27 N ATOM 1006 CA LYS B 10 18.481 -12.847 2.767 1.00 17.71 C ATOM 1007 C LYS B 10 18.548 -13.331 4.216 1.00 17.14 C ATOM 1008 O LYS B 10 19.642 -13.550 4.723 1.00 16.57 O ATOM 1009 CB LYS B 10 19.329 -11.570 2.628 1.00 17.52 C ATOM 1010 CG LYS B 10 19.469 -11.046 1.193 1.00 22.07 C ATOM 1011 CD LYS B 10 19.932 -12.155 0.283 1.00 25.78 C ATOM 1012 CE LYS B 10 19.848 -11.739 -1.188 1.00 31.52 C ATOM 1013 NZ LYS B 10 20.885 -10.725 -1.548 1.00 34.18 N ATOM 1014 N GLY B 11 17.399 -13.459 4.891 1.00 17.08 N ATOM 1015 CA GLY B 11 17.374 -14.025 6.254 1.00 16.21 C ATOM 1016 C GLY B 11 17.465 -13.004 7.381 1.00 16.07 C ATOM 1017 O GLY B 11 17.612 -13.381 8.544 1.00 17.26 O ATOM 1018 N TYR B 12 17.377 -11.718 7.040 1.00 14.63 N ATOM 1019 CA TYR B 12 17.553 -10.627 8.007 1.00 14.19 C ATOM 1020 C TYR B 12 16.313 -10.274 8.817 1.00 13.74 C ATOM 1021 O TYR B 12 16.407 -9.450 9.738 1.00 14.75 O ATOM 1022 CB TYR B 12 17.921 -9.349 7.255 1.00 13.73 C ATOM 1023 CG TYR B 12 19.375 -9.216 6.874 1.00 15.42 C ATOM 1024 CD1 TYR B 12 19.983 -10.118 5.999 1.00 17.34 C ATOM 1025 CD2 TYR B 12 20.130 -8.136 7.364 1.00 15.17 C ATOM 1026 CE1 TYR B 12 21.333 -9.951 5.616 1.00 17.37 C ATOM 1027 CE2 TYR B 12 21.449 -7.962 6.993 1.00 16.68 C ATOM 1028 CZ TYR B 12 22.045 -8.861 6.132 1.00 17.99 C ATOM 1029 OH TYR B 12 23.351 -8.623 5.802 1.00 17.66 O ATOM 1030 N VAL B 13 15.152 -10.853 8.480 1.00 13.74 N ATOM 1031 CA VAL B 13 13.876 -10.289 8.965 1.00 13.94 C ATOM 1032 C VAL B 13 12.995 -11.355 9.645 1.00 14.03 C ATOM 1033 O VAL B 13 12.651 -12.400 9.037 1.00 14.62 O ATOM 1034 CB VAL B 13 13.094 -9.637 7.808 1.00 14.03 C ATOM 1035 CG1 VAL B 13 11.886 -8.834 8.353 1.00 13.10 C ATOM 1036 CG2 VAL B 13 13.998 -8.687 7.002 1.00 15.74 C ATOM 1037 N THR B 14 12.641 -11.100 10.905 1.00 13.14 N ATOM 1038 CA THR B 14 11.729 -11.996 11.650 1.00 13.74 C ATOM 1039 C THR B 14 10.296 -11.836 11.101 1.00 13.45 C ATOM 1040 O THR B 14 9.986 -10.862 10.405 1.00 14.99 O ATOM 1041 CB THR B 14 11.695 -11.658 13.153 1.00 13.98 C ATOM 1042 OG1 THR B 14 11.260 -10.290 13.305 1.00 13.97 O ATOM 1043 CG2 THR B 14 13.104 -11.853 13.787 1.00 13.58 C ATOM 1044 N PRO B 15 9.424 -12.810 11.373 1.00 14.50 N ATOM 1045 CA PRO B 15 8.044 -12.609 10.953 1.00 14.30 C ATOM 1046 C PRO B 15 7.400 -11.343 11.525 1.00 14.24 C ATOM 1047 O PRO B 15 7.842 -10.777 12.533 1.00 14.39 O ATOM 1048 CB PRO B 15 7.319 -13.857 11.495 1.00 14.98 C ATOM 1049 CG PRO B 15 8.400 -14.921 11.590 1.00 15.05 C ATOM 1050 CD PRO B 15 9.655 -14.153 11.961 1.00 14.65 C ATOM 1051 N VAL B 16 6.309 -10.932 10.887 1.00 13.39 N ATOM 1052 CA VAL B 16 5.524 -9.774 11.329 1.00 14.22 C ATOM 1053 C VAL B 16 4.944 -9.981 12.727 1.00 14.87 C ATOM 1054 O VAL B 16 4.413 -11.038 13.053 1.00 15.01 O ATOM 1055 CB VAL B 16 4.424 -9.434 10.268 1.00 14.04 C ATOM 1056 CG1 VAL B 16 3.451 -8.338 10.759 1.00 13.76 C ATOM 1057 CG2 VAL B 16 5.152 -8.984 8.951 1.00 14.56 C ATOM 1058 N LYS B 17 5.112 -8.946 13.552 1.00 14.77 N ATOM 1059 CA LYS B 17 4.602 -8.911 14.927 1.00 14.56 C ATOM 1060 C LYS B 17 3.383 -7.966 15.047 1.00 15.88 C ATOM 1061 O LYS B 17 2.955 -7.335 14.060 1.00 15.40 O ATOM 1062 CB LYS B 17 5.732 -8.466 15.889 1.00 14.21 C ATOM 1063 CG LYS B 17 6.972 -9.385 15.830 1.00 15.48 C ATOM 1064 CD LYS B 17 8.123 -8.810 16.674 1.00 15.07 C ATOM 1065 CE LYS B 17 9.395 -9.657 16.532 1.00 15.74 C ATOM 1066 NZ LYS B 17 10.474 -9.169 17.475 1.00 16.82 N ATOM 1067 N ASN B 18 2.829 -7.882 16.254 1.00 14.49 N ATOM 1068 CA ASN B 18 1.612 -7.096 16.481 1.00 14.81 C ATOM 1069 C ASN B 18 1.719 -6.281 17.768 1.00 14.87 C ATOM 1070 O ASN B 18 1.678 -6.834 18.884 1.00 14.80 O ATOM 1071 CB ASN B 18 0.374 -7.984 16.473 1.00 15.15 C ATOM 1072 CG ASN B 18 -0.924 -7.210 16.743 1.00 16.28 C ATOM 1073 OD1 ASN B 18 -0.999 -6.009 16.580 1.00 16.05 O ATOM 1074 ND2 ASN B 18 -1.950 -7.927 17.140 1.00 23.93 N ATOM 1075 N GLN B 19 1.827 -4.963 17.599 1.00 13.56 N ATOM 1076 CA GLN B 19 1.907 -4.052 18.750 1.00 14.10 C ATOM 1077 C GLN B 19 0.612 -4.009 19.559 1.00 14.26 C ATOM 1078 O GLN B 19 0.628 -3.563 20.713 1.00 15.34 O ATOM 1079 CB GLN B 19 2.278 -2.614 18.314 1.00 14.63 C ATOM 1080 CG GLN B 19 1.173 -1.893 17.602 1.00 14.56 C ATOM 1081 CD GLN B 19 1.652 -0.630 16.951 1.00 14.71 C ATOM 1082 OE1 GLN B 19 2.222 -0.645 15.851 1.00 12.46 O ATOM 1083 NE2 GLN B 19 1.440 0.486 17.634 1.00 12.31 N ATOM 1084 N GLY B 20 -0.504 -4.414 18.952 1.00 14.73 N ATOM 1085 CA GLY B 20 -1.812 -4.327 19.629 1.00 15.28 C ATOM 1086 C GLY B 20 -2.237 -2.900 19.952 1.00 15.01 C ATOM 1087 O GLY B 20 -1.835 -1.942 19.285 1.00 15.60 O ATOM 1088 N GLN B 21 -3.040 -2.755 20.996 1.00 15.28 N ATOM 1089 CA GLN B 21 -3.577 -1.444 21.321 1.00 15.12 C ATOM 1090 C GLN B 21 -2.598 -0.703 22.266 1.00 15.56 C ATOM 1091 O GLN B 21 -2.840 -0.540 23.476 1.00 15.68 O ATOM 1092 CB GLN B 21 -4.985 -1.581 21.908 1.00 16.05 C ATOM 1093 CG GLN B 21 -5.767 -0.254 21.928 1.00 15.83 C ATOM 1094 CD GLN B 21 -7.145 -0.385 22.536 1.00 19.44 C ATOM 1095 OE1 GLN B 21 -7.751 0.607 22.949 1.00 21.33 O ATOM 1096 NE2 GLN B 21 -7.650 -1.603 22.589 1.00 16.90 N ATOM 1097 N CYS B 22 -1.466 -0.313 21.700 1.00 15.82 N ATOM 1098 CA CYS B 22 -0.373 0.254 22.470 1.00 14.85 C ATOM 1099 C CYS B 22 0.518 1.021 21.492 1.00 14.85 C ATOM 1100 O CYS B 22 0.829 0.509 20.409 1.00 14.24 O ATOM 1101 CB CYS B 22 0.414 -0.884 23.130 1.00 15.41 C ATOM 1102 SG CYS B 22 2.000 -0.467 23.948 1.00 18.34 S ATOM 1103 N GLY B 23 0.916 2.227 21.893 1.00 14.59 N ATOM 1104 CA GLY B 23 1.673 3.125 21.002 1.00 14.53 C ATOM 1105 C GLY B 23 3.150 2.784 21.049 1.00 15.91 C ATOM 1106 O GLY B 23 3.993 3.663 21.317 1.00 16.32 O ATOM 1107 N SER B 24 3.474 1.527 20.748 1.00 15.20 N ATOM 1108 CA SER B 24 4.851 1.018 20.916 1.00 14.16 C ATOM 1109 C SER B 24 5.553 0.629 19.616 1.00 13.71 C ATOM 1110 O SER B 24 6.596 -0.049 19.646 1.00 14.69 O ATOM 1111 CB SER B 24 4.790 -0.211 21.827 1.00 14.73 C ATOM 1112 OG SER B 24 3.872 -1.149 21.262 1.00 15.53 O ATOM 1113 N ALA B 25 5.038 1.081 18.474 1.00 13.62 N ATOM 1114 CA ALA B 25 5.639 0.744 17.199 1.00 13.58 C ATOM 1115 C ALA B 25 7.121 1.109 17.153 1.00 13.89 C ATOM 1116 O ALA B 25 7.942 0.387 16.535 1.00 14.85 O ATOM 1117 CB ALA B 25 4.899 1.442 16.046 1.00 13.84 C ATOM 1118 N TRP B 26 7.479 2.219 17.804 1.00 13.13 N ATOM 1119 CA TRP B 26 8.907 2.595 17.923 1.00 13.43 C ATOM 1120 C TRP B 26 9.802 1.427 18.401 1.00 13.43 C ATOM 1121 O TRP B 26 10.967 1.302 17.955 1.00 14.73 O ATOM 1122 CB TRP B 26 9.062 3.820 18.860 1.00 14.06 C ATOM 1123 CG TRP B 26 8.545 3.564 20.264 1.00 14.03 C ATOM 1124 CD1 TRP B 26 7.276 3.773 20.713 1.00 14.11 C ATOM 1125 CD2 TRP B 26 9.284 3.041 21.379 1.00 17.30 C ATOM 1126 NE1 TRP B 26 7.169 3.413 22.045 1.00 14.20 N ATOM 1127 CE2 TRP B 26 8.386 2.956 22.475 1.00 14.92 C ATOM 1128 CE3 TRP B 26 10.610 2.609 21.551 1.00 17.99 C ATOM 1129 CZ2 TRP B 26 8.772 2.459 23.736 1.00 15.32 C ATOM 1130 CZ3 TRP B 26 11.011 2.125 22.798 1.00 16.12 C ATOM 1131 CH2 TRP B 26 10.104 2.067 23.883 1.00 14.27 C ATOM 1132 N ALA B 27 9.256 0.593 19.306 1.00 13.95 N ATOM 1133 CA ALA B 27 9.987 -0.512 19.906 1.00 12.30 C ATOM 1134 C ALA B 27 10.116 -1.631 18.874 1.00 13.69 C ATOM 1135 O ALA B 27 11.153 -2.265 18.785 1.00 13.65 O ATOM 1136 CB ALA B 27 9.269 -1.003 21.196 1.00 13.56 C ATOM 1137 N PHE B 28 9.073 -1.842 18.070 1.00 13.28 N ATOM 1138 CA PHE B 28 9.104 -2.872 16.991 1.00 12.75 C ATOM 1139 C PHE B 28 10.046 -2.477 15.869 1.00 13.62 C ATOM 1140 O PHE B 28 10.794 -3.317 15.360 1.00 14.14 O ATOM 1141 CB PHE B 28 7.673 -3.116 16.457 1.00 12.94 C ATOM 1142 CG PHE B 28 6.804 -3.865 17.446 1.00 12.71 C ATOM 1143 CD1 PHE B 28 6.136 -3.171 18.466 1.00 12.57 C ATOM 1144 CD2 PHE B 28 6.719 -5.277 17.394 1.00 12.03 C ATOM 1145 CE1 PHE B 28 5.391 -3.882 19.452 1.00 13.06 C ATOM 1146 CE2 PHE B 28 5.972 -6.006 18.355 1.00 14.89 C ATOM 1147 CZ PHE B 28 5.280 -5.304 19.377 1.00 13.80 C ATOM 1148 N SER B 29 10.019 -1.192 15.512 1.00 13.19 N ATOM 1149 CA SER B 29 10.966 -0.668 14.528 1.00 12.78 C ATOM 1150 C SER B 29 12.398 -0.860 15.048 1.00 13.30 C ATOM 1151 O SER B 29 13.245 -1.347 14.286 1.00 12.94 O ATOM 1152 CB SER B 29 10.690 0.820 14.258 1.00 12.70 C ATOM 1153 OG SER B 29 11.649 1.346 13.322 1.00 13.46 O ATOM 1154 N ALA B 30 12.638 -0.586 16.340 1.00 13.12 N ATOM 1155 CA ALA B 30 14.000 -0.739 16.886 1.00 14.14 C ATOM 1156 C ALA B 30 14.468 -2.192 16.938 1.00 14.96 C ATOM 1157 O ALA B 30 15.626 -2.486 16.574 1.00 14.30 O ATOM 1158 CB ALA B 30 14.088 -0.131 18.274 1.00 15.02 C ATOM 1159 N THR B 31 13.606 -3.104 17.408 1.00 14.91 N ATOM 1160 CA THR B 31 14.007 -4.529 17.456 1.00 14.33 C ATOM 1161 C THR B 31 14.204 -5.041 16.027 1.00 14.86 C ATOM 1162 O THR B 31 15.097 -5.826 15.783 1.00 15.06 O ATOM 1163 CB THR B 31 12.994 -5.463 18.178 1.00 14.01 C ATOM 1164 OG1 THR B 31 11.727 -5.329 17.547 1.00 14.39 O ATOM 1165 CG2 THR B 31 12.889 -5.143 19.710 1.00 13.62 C ATOM 1166 N GLY B 32 13.390 -4.588 15.081 1.00 14.78 N ATOM 1167 CA GLY B 32 13.569 -5.022 13.677 1.00 15.09 C ATOM 1168 C GLY B 32 14.939 -4.642 13.117 1.00 14.70 C ATOM 1169 O GLY B 32 15.626 -5.445 12.479 1.00 15.23 O ATOM 1170 N ALA B 33 15.340 -3.398 13.349 1.00 14.57 N ATOM 1171 CA ALA B 33 16.641 -2.923 12.863 1.00 14.07 C ATOM 1172 C ALA B 33 17.769 -3.670 13.563 1.00 13.98 C ATOM 1173 O ALA B 33 18.724 -4.130 12.927 1.00 14.63 O ATOM 1174 CB ALA B 33 16.796 -1.399 13.055 1.00 14.27 C ATOM 1175 N LEU B 34 17.659 -3.824 14.886 1.00 14.65 N ATOM 1176 CA LEU B 34 18.662 -4.560 15.644 1.00 14.95 C ATOM 1177 C LEU B 34 18.710 -6.057 15.246 1.00 15.59 C ATOM 1178 O LEU B 34 19.795 -6.643 15.160 1.00 15.05 O ATOM 1179 CB LEU B 34 18.444 -4.366 17.163 1.00 15.88 C ATOM 1180 CG LEU B 34 19.603 -4.789 18.082 1.00 18.46 C ATOM 1181 CD1 LEU B 34 20.961 -4.310 17.568 1.00 19.96 C ATOM 1182 CD2 LEU B 34 19.352 -4.366 19.569 1.00 18.77 C ATOM 1183 N GLU B 35 17.550 -6.661 14.969 1.00 14.57 N ATOM 1184 CA GLU B 35 17.502 -8.061 14.513 1.00 14.25 C ATOM 1185 C GLU B 35 18.330 -8.214 13.256 1.00 14.81 C ATOM 1186 O GLU B 35 19.129 -9.156 13.103 1.00 15.72 O ATOM 1187 CB GLU B 35 16.043 -8.470 14.258 1.00 14.53 C ATOM 1188 CG GLU B 35 15.345 -8.965 15.547 1.00 13.51 C ATOM 1189 CD GLU B 35 13.819 -8.861 15.545 1.00 15.54 C ATOM 1190 OE1 GLU B 35 13.206 -8.510 14.506 1.00 14.49 O ATOM 1191 OE2 GLU B 35 13.228 -9.115 16.616 1.00 14.99 O ATOM 1192 N GLY B 36 18.134 -7.264 12.343 1.00 14.17 N ATOM 1193 CA GLY B 36 18.874 -7.275 11.076 1.00 14.49 C ATOM 1194 C GLY B 36 20.374 -7.092 11.256 1.00 14.88 C ATOM 1195 O GLY B 36 21.180 -7.781 10.594 1.00 14.19 O ATOM 1196 N GLN B 37 20.788 -6.197 12.154 1.00 13.68 N ATOM 1197 CA GLN B 37 22.232 -5.961 12.266 1.00 14.08 C ATOM 1198 C GLN B 37 22.904 -7.088 13.034 1.00 14.70 C ATOM 1199 O GLN B 37 24.064 -7.443 12.787 1.00 13.59 O ATOM 1200 CB GLN B 37 22.492 -4.600 12.919 1.00 14.52 C ATOM 1201 CG GLN B 37 22.077 -3.412 12.041 1.00 13.89 C ATOM 1202 CD GLN B 37 22.752 -3.458 10.690 1.00 15.60 C ATOM 1203 OE1 GLN B 37 23.985 -3.339 10.595 1.00 14.98 O ATOM 1204 NE2 GLN B 37 21.974 -3.725 9.647 1.00 14.62 N ATOM 1205 N MET B 38 22.178 -7.668 13.976 1.00 14.81 N ATOM 1206 CA MET B 38 22.741 -8.804 14.697 1.00 14.67 C ATOM 1207 C MET B 38 22.904 -9.968 13.723 1.00 15.23 C ATOM 1208 O MET B 38 23.862 -10.721 13.825 1.00 15.56 O ATOM 1209 CB MET B 38 21.839 -9.229 15.855 1.00 14.81 C ATOM 1210 CG MET B 38 21.908 -8.294 17.081 1.00 15.27 C ATOM 1211 SD MET B 38 23.581 -8.087 17.773 1.00 17.40 S ATOM 1212 CE MET B 38 23.988 -9.797 18.225 1.00 17.85 C ATOM 1213 N PHE B 39 21.962 -10.118 12.796 1.00 14.27 N ATOM 1214 CA PHE B 39 22.041 -11.210 11.812 1.00 15.04 C ATOM 1215 C PHE B 39 23.240 -11.027 10.868 1.00 15.24 C ATOM 1216 O PHE B 39 23.982 -11.987 10.579 1.00 14.75 O ATOM 1217 CB PHE B 39 20.750 -11.369 11.007 1.00 14.80 C ATOM 1218 CG PHE B 39 20.873 -12.410 9.920 1.00 14.88 C ATOM 1219 CD1 PHE B 39 20.732 -13.762 10.209 1.00 16.12 C ATOM 1220 CD2 PHE B 39 21.183 -12.028 8.612 1.00 16.09 C ATOM 1221 CE1 PHE B 39 20.888 -14.742 9.198 1.00 15.57 C ATOM 1222 CE2 PHE B 39 21.346 -12.996 7.593 1.00 14.17 C ATOM 1223 CZ PHE B 39 21.192 -14.347 7.892 1.00 15.83 C ATOM 1224 N ARG B 40 23.448 -9.798 10.399 1.00 15.55 N ATOM 1225 CA ARG B 40 24.642 -9.491 9.618 1.00 16.83 C ATOM 1226 C ARG B 40 25.914 -9.854 10.386 1.00 17.38 C ATOM 1227 O ARG B 40 26.863 -10.398 9.800 1.00 18.83 O ATOM 1228 CB AARG B 40 24.622 -8.003 9.279 0.50 16.66 C ATOM 1229 CB BARG B 40 24.703 -8.037 9.112 0.50 16.82 C ATOM 1230 CG AARG B 40 25.865 -7.490 8.615 0.50 18.63 C ATOM 1231 CG BARG B 40 25.987 -7.778 8.279 0.50 18.97 C ATOM 1232 CD AARG B 40 25.559 -6.194 7.936 0.50 19.72 C ATOM 1233 CD BARG B 40 25.978 -6.481 7.475 0.50 22.74 C ATOM 1234 NE AARG B 40 24.768 -6.405 6.723 0.50 18.63 N ATOM 1235 NE BARG B 40 26.046 -5.270 8.297 0.50 23.98 N ATOM 1236 CZ AARG B 40 24.955 -5.735 5.596 0.50 17.44 C ATOM 1237 CZ BARG B 40 25.835 -4.041 7.827 0.50 23.43 C ATOM 1238 NH1AARG B 40 25.919 -4.826 5.505 0.50 18.00 N ATOM 1239 NH1BARG B 40 25.541 -3.874 6.545 0.50 25.05 N ATOM 1240 NH2AARG B 40 24.190 -5.976 4.564 0.50 14.19 N ATOM 1241 NH2BARG B 40 25.903 -2.981 8.626 0.50 18.50 N ATOM 1242 N LYS B 41 25.932 -9.591 11.690 1.00 17.21 N ATOM 1243 CA LYS B 41 27.147 -9.800 12.488 1.00 17.67 C ATOM 1244 C LYS B 41 27.412 -11.280 12.781 1.00 17.51 C ATOM 1245 O LYS B 41 28.533 -11.743 12.620 1.00 17.59 O ATOM 1246 CB LYS B 41 27.048 -9.019 13.799 1.00 17.93 C ATOM 1247 CG LYS B 41 28.298 -9.053 14.658 1.00 19.87 C ATOM 1248 CD LYS B 41 28.106 -8.254 15.919 1.00 24.24 C ATOM 1249 CE LYS B 41 29.392 -8.217 16.722 1.00 28.90 C ATOM 1250 NZ LYS B 41 29.166 -7.594 18.051 1.00 31.86 N ATOM 1251 N THR B 42 26.374 -12.021 13.163 1.00 17.05 N ATOM 1252 CA THR B 42 26.544 -13.369 13.727 1.00 17.61 C ATOM 1253 C THR B 42 26.037 -14.498 12.844 1.00 17.58 C ATOM 1254 O THR B 42 26.377 -15.679 13.063 1.00 17.80 O ATOM 1255 CB THR B 42 25.790 -13.528 15.056 1.00 17.04 C ATOM 1256 OG1 THR B 42 24.382 -13.542 14.789 1.00 19.12 O ATOM 1257 CG2 THR B 42 26.166 -12.412 16.061 1.00 18.73 C ATOM 1258 N GLY B 43 25.210 -14.145 11.875 1.00 17.53 N ATOM 1259 CA GLY B 43 24.516 -15.134 11.063 1.00 18.28 C ATOM 1260 C GLY B 43 23.345 -15.804 11.763 1.00 17.85 C ATOM 1261 O GLY B 43 22.821 -16.785 11.251 1.00 18.88 O ATOM 1262 N ARG B 44 22.930 -15.278 12.919 1.00 16.92 N ATOM 1263 CA ARG B 44 21.836 -15.854 13.700 1.00 17.48 C ATOM 1264 C ARG B 44 20.711 -14.835 13.786 1.00 16.94 C ATOM 1265 O ARG B 44 20.939 -13.716 14.217 1.00 16.95 O ATOM 1266 CB ARG B 44 22.305 -16.235 15.110 1.00 18.05 C ATOM 1267 CG ARG B 44 23.467 -17.249 15.121 1.00 22.48 C ATOM 1268 CD ARG B 44 23.783 -17.733 16.546 1.00 28.17 C ATOM 1269 NE ARG B 44 24.514 -16.741 17.353 1.00 34.59 N ATOM 1270 CZ ARG B 44 25.847 -16.635 17.413 1.00 36.43 C ATOM 1271 NH1 ARG B 44 26.623 -17.457 16.704 1.00 38.65 N ATOM 1272 NH2 ARG B 44 26.407 -15.701 18.181 1.00 36.37 N ATOM 1273 N LEU B 45 19.525 -15.223 13.330 1.00 16.90 N ATOM 1274 CA LEU B 45 18.340 -14.378 13.428 1.00 16.77 C ATOM 1275 C LEU B 45 17.603 -14.745 14.718 1.00 16.53 C ATOM 1276 O LEU B 45 17.095 -15.880 14.863 1.00 16.80 O ATOM 1277 CB LEU B 45 17.415 -14.629 12.229 1.00 17.36 C ATOM 1278 CG LEU B 45 16.170 -13.722 12.157 1.00 16.70 C ATOM 1279 CD1 LEU B 45 16.606 -12.266 11.985 1.00 19.26 C ATOM 1280 CD2 LEU B 45 15.203 -14.134 11.025 1.00 19.76 C ATOM 1281 N ILE B 46 17.539 -13.806 15.653 1.00 15.90 N ATOM 1282 CA ILE B 46 16.897 -14.087 16.951 1.00 16.50 C ATOM 1283 C ILE B 46 15.932 -12.953 17.233 1.00 15.44 C ATOM 1284 O ILE B 46 16.322 -11.786 17.249 1.00 15.05 O ATOM 1285 CB ILE B 46 17.912 -14.206 18.132 1.00 16.61 C ATOM 1286 CG1 ILE B 46 18.958 -15.299 17.813 1.00 19.15 C ATOM 1287 CG2 ILE B 46 17.156 -14.557 19.443 1.00 16.06 C ATOM 1288 CD1 ILE B 46 20.184 -15.387 18.745 1.00 20.06 C ATOM 1289 N SER B 47 14.665 -13.299 17.427 1.00 15.02 N ATOM 1290 CA SER B 47 13.657 -12.291 17.730 1.00 14.00 C ATOM 1291 C SER B 47 13.939 -11.645 19.092 1.00 14.96 C ATOM 1292 O SER B 47 14.252 -12.346 20.073 1.00 14.45 O ATOM 1293 CB SER B 47 12.270 -12.946 17.715 1.00 14.77 C ATOM 1294 OG SER B 47 11.269 -11.990 17.972 1.00 14.13 O ATOM 1295 N LEU B 48 13.824 -10.318 19.130 1.00 14.45 N ATOM 1296 CA LEU B 48 14.210 -9.523 20.317 1.00 14.79 C ATOM 1297 C LEU B 48 12.993 -8.953 21.015 1.00 15.01 C ATOM 1298 O LEU B 48 11.922 -8.804 20.399 1.00 15.27 O ATOM 1299 CB LEU B 48 15.138 -8.364 19.886 1.00 14.33 C ATOM 1300 CG LEU B 48 16.463 -8.742 19.198 1.00 14.77 C ATOM 1301 CD1 LEU B 48 17.201 -7.504 18.690 1.00 13.80 C ATOM 1302 CD2 LEU B 48 17.320 -9.582 20.163 1.00 12.72 C ATOM 1303 N SER B 49 13.182 -8.544 22.274 1.00 13.90 N ATOM 1304 CA SER B 49 12.081 -8.133 23.161 1.00 14.35 C ATOM 1305 C SER B 49 11.680 -6.660 23.086 1.00 14.58 C ATOM 1306 O SER B 49 12.388 -5.782 23.604 1.00 14.38 O ATOM 1307 CB SER B 49 12.418 -8.463 24.613 1.00 14.49 C ATOM 1308 OG SER B 49 11.334 -8.080 25.460 1.00 13.36 O ATOM 1309 N GLU B 50 10.517 -6.419 22.482 1.00 13.69 N ATOM 1310 CA GLU B 50 9.917 -5.087 22.470 1.00 14.38 C ATOM 1311 C GLU B 50 9.493 -4.736 23.901 1.00 14.22 C ATOM 1312 O GLU B 50 9.553 -3.584 24.307 1.00 14.89 O ATOM 1313 CB GLU B 50 8.682 -5.065 21.565 1.00 15.36 C ATOM 1314 CG GLU B 50 9.011 -5.182 20.094 1.00 14.71 C ATOM 1315 CD GLU B 50 9.170 -6.612 19.640 1.00 15.40 C ATOM 1316 OE1 GLU B 50 8.660 -7.521 20.333 1.00 15.16 O ATOM 1317 OE2 GLU B 50 9.849 -6.818 18.606 1.00 17.54 O ATOM 1318 N GLN B 51 9.054 -5.723 24.667 1.00 12.83 N ATOM 1319 CA GLN B 51 8.619 -5.422 26.031 1.00 13.39 C ATOM 1320 C GLN B 51 9.758 -4.880 26.908 1.00 13.94 C ATOM 1321 O GLN B 51 9.545 -3.976 27.750 1.00 15.04 O ATOM 1322 CB GLN B 51 8.010 -6.664 26.680 1.00 13.92 C ATOM 1323 CG GLN B 51 7.203 -6.352 27.959 1.00 14.39 C ATOM 1324 CD GLN B 51 5.934 -5.556 27.647 1.00 16.08 C ATOM 1325 OE1 GLN B 51 5.194 -5.862 26.711 1.00 15.73 O ATOM 1326 NE2 GLN B 51 5.657 -4.568 28.459 1.00 15.45 N ATOM 1327 N ASN B 52 10.946 -5.453 26.729 1.00 13.87 N ATOM 1328 CA ASN B 52 12.164 -4.971 27.378 1.00 13.90 C ATOM 1329 C ASN B 52 12.351 -3.464 27.099 1.00 13.59 C ATOM 1330 O ASN B 52 12.663 -2.673 28.023 1.00 13.96 O ATOM 1331 CB ASN B 52 13.336 -5.815 26.846 1.00 13.42 C ATOM 1332 CG ASN B 52 14.684 -5.638 27.597 1.00 14.41 C ATOM 1333 OD1 ASN B 52 15.569 -6.489 27.417 1.00 14.23 O ATOM 1334 ND2 ASN B 52 14.871 -4.557 28.376 1.00 12.45 N ATOM 1335 N LEU B 53 12.128 -3.044 25.853 1.00 13.65 N ATOM 1336 CA LEU B 53 12.262 -1.619 25.511 1.00 13.35 C ATOM 1337 C LEU B 53 11.152 -0.808 26.159 1.00 13.80 C ATOM 1338 O LEU B 53 11.408 0.275 26.718 1.00 14.96 O ATOM 1339 CB LEU B 53 12.200 -1.403 23.989 1.00 12.69 C ATOM 1340 CG LEU B 53 13.406 -2.006 23.279 1.00 13.31 C ATOM 1341 CD1 LEU B 53 13.283 -1.845 21.718 1.00 11.24 C ATOM 1342 CD2 LEU B 53 14.721 -1.401 23.806 1.00 14.53 C ATOM 1343 N VAL B 54 9.919 -1.319 26.059 1.00 13.53 N ATOM 1344 CA VAL B 54 8.762 -0.606 26.631 1.00 13.51 C ATOM 1345 C VAL B 54 8.906 -0.386 28.138 1.00 14.69 C ATOM 1346 O VAL B 54 8.655 0.714 28.640 1.00 14.74 O ATOM 1347 CB VAL B 54 7.430 -1.348 26.306 1.00 14.71 C ATOM 1348 CG1 VAL B 54 6.250 -0.777 27.108 1.00 13.95 C ATOM 1349 CG2 VAL B 54 7.158 -1.265 24.806 1.00 14.21 C ATOM 1350 N ASP B 55 9.290 -1.431 28.863 1.00 14.67 N ATOM 1351 CA ASP B 55 9.345 -1.364 30.332 1.00 16.25 C ATOM 1352 C ASP B 55 10.560 -0.582 30.845 1.00 16.66 C ATOM 1353 O ASP B 55 10.513 -0.058 31.949 1.00 16.98 O ATOM 1354 CB ASP B 55 9.408 -2.757 30.951 1.00 15.16 C ATOM 1355 CG ASP B 55 8.174 -3.596 30.680 1.00 16.79 C ATOM 1356 OD1 ASP B 55 7.133 -3.030 30.309 1.00 15.90 O ATOM 1357 OD2 ASP B 55 8.251 -4.851 30.817 1.00 16.12 O ATOM 1358 N CYS B 56 11.655 -0.544 30.075 1.00 16.34 N ATOM 1359 CA CYS B 56 12.952 -0.198 30.679 1.00 15.92 C ATOM 1360 C CYS B 56 13.619 1.074 30.134 1.00 16.19 C ATOM 1361 O CYS B 56 14.586 1.568 30.743 1.00 15.61 O ATOM 1362 CB CYS B 56 13.938 -1.358 30.538 1.00 16.37 C ATOM 1363 SG CYS B 56 13.391 -2.960 31.209 1.00 17.27 S ATOM 1364 N SER B 57 13.159 1.569 28.982 1.00 15.90 N ATOM 1365 CA SER B 57 13.854 2.691 28.324 1.00 15.79 C ATOM 1366 C SER B 57 13.305 4.103 28.606 1.00 15.90 C ATOM 1367 O SER B 57 13.618 5.045 27.872 1.00 16.19 O ATOM 1368 CB SER B 57 14.048 2.436 26.811 1.00 15.21 C ATOM 1369 OG SER B 57 12.793 2.379 26.129 1.00 15.40 O ATOM 1370 N GLY B 58 12.551 4.265 29.694 1.00 15.94 N ATOM 1371 CA GLY B 58 12.141 5.593 30.169 1.00 16.19 C ATOM 1372 C GLY B 58 13.300 6.578 30.392 1.00 16.59 C ATOM 1373 O GLY B 58 13.215 7.753 29.967 1.00 16.66 O ATOM 1374 N PRO B 59 14.396 6.134 31.048 1.00 16.15 N ATOM 1375 CA PRO B 59 15.516 7.092 31.259 1.00 16.59 C ATOM 1376 C PRO B 59 16.085 7.717 29.985 1.00 16.93 C ATOM 1377 O PRO B 59 16.643 8.829 30.033 1.00 16.70 O ATOM 1378 CB PRO B 59 16.594 6.238 31.960 1.00 16.66 C ATOM 1379 CG PRO B 59 15.791 5.191 32.707 1.00 16.87 C ATOM 1380 CD PRO B 59 14.673 4.842 31.717 1.00 16.81 C ATOM 1381 N GLN B 60 15.959 6.998 28.868 1.00 15.57 N ATOM 1382 CA GLN B 60 16.459 7.448 27.568 1.00 15.13 C ATOM 1383 C GLN B 60 15.456 8.341 26.823 1.00 15.18 C ATOM 1384 O GLN B 60 15.764 8.876 25.725 1.00 16.09 O ATOM 1385 CB GLN B 60 16.847 6.239 26.694 1.00 14.41 C ATOM 1386 CG GLN B 60 18.136 5.499 27.192 1.00 14.83 C ATOM 1387 CD GLN B 60 17.941 4.626 28.445 1.00 14.48 C ATOM 1388 OE1 GLN B 60 18.924 4.315 29.159 1.00 19.63 O ATOM 1389 NE2 GLN B 60 16.703 4.246 28.737 1.00 12.54 N ATOM 1390 N GLY B 61 14.267 8.494 27.396 1.00 15.12 N ATOM 1391 CA GLY B 61 13.268 9.391 26.827 1.00 15.16 C ATOM 1392 C GLY B 61 12.003 8.737 26.319 1.00 15.20 C ATOM 1393 O GLY B 61 11.084 9.439 25.872 1.00 15.48 O ATOM 1394 N ASN B 62 11.928 7.407 26.360 1.00 15.09 N ATOM 1395 CA ASN B 62 10.731 6.726 25.846 1.00 14.62 C ATOM 1396 C ASN B 62 9.538 6.720 26.828 1.00 14.86 C ATOM 1397 O ASN B 62 9.731 6.847 28.047 1.00 14.90 O ATOM 1398 CB ASN B 62 11.077 5.305 25.374 1.00 14.88 C ATOM 1399 CG ASN B 62 11.938 5.328 24.125 1.00 15.36 C ATOM 1400 OD1 ASN B 62 11.751 6.184 23.234 1.00 14.32 O ATOM 1401 ND2 ASN B 62 12.896 4.428 24.059 1.00 14.84 N ATOM 1402 N GLU B 63 8.318 6.630 26.281 1.00 15.02 N ATOM 1403 CA GLU B 63 7.112 6.698 27.091 1.00 16.10 C ATOM 1404 C GLU B 63 6.181 5.501 26.863 1.00 16.45 C ATOM 1405 O GLU B 63 4.942 5.633 26.905 1.00 17.06 O ATOM 1406 CB GLU B 63 6.381 8.040 26.874 1.00 16.03 C ATOM 1407 CG GLU B 63 7.263 9.222 27.332 1.00 18.22 C ATOM 1408 CD GLU B 63 6.586 10.586 27.245 1.00 21.52 C ATOM 1409 OE1 GLU B 63 7.341 11.589 27.276 1.00 24.47 O ATOM 1410 OE2 GLU B 63 5.334 10.674 27.151 1.00 23.50 O ATOM 1411 N GLY B 64 6.784 4.335 26.674 1.00 16.55 N ATOM 1412 CA GLY B 64 6.034 3.068 26.728 1.00 16.46 C ATOM 1413 C GLY B 64 4.958 2.988 25.670 1.00 16.18 C ATOM 1414 O GLY B 64 5.254 3.156 24.490 1.00 16.67 O ATOM 1415 N CYS B 65 3.703 2.794 26.095 1.00 16.42 N ATOM 1416 CA CYS B 65 2.569 2.720 25.164 1.00 17.01 C ATOM 1417 C CYS B 65 2.085 4.090 24.724 1.00 16.90 C ATOM 1418 O CYS B 65 1.180 4.176 23.903 1.00 16.01 O ATOM 1419 CB CYS B 65 1.392 1.938 25.775 1.00 18.43 C ATOM 1420 SG CYS B 65 1.660 0.161 25.873 1.00 20.69 S ATOM 1421 N ASN B 66 2.681 5.147 25.290 1.00 16.07 N ATOM 1422 CA ASN B 66 2.413 6.521 24.851 1.00 17.28 C ATOM 1423 C ASN B 66 3.478 7.103 23.923 1.00 16.21 C ATOM 1424 O ASN B 66 3.554 8.324 23.741 1.00 16.67 O ATOM 1425 CB ASN B 66 2.273 7.438 26.047 1.00 18.04 C ATOM 1426 CG ASN B 66 1.106 7.073 26.927 1.00 23.64 C ATOM 1427 OD1 ASN B 66 1.252 6.930 28.147 1.00 33.01 O ATOM 1428 ND2 ASN B 66 -0.065 6.946 26.327 1.00 23.98 N ATOM 1429 N GLY B 67 4.310 6.249 23.340 1.00 15.91 N ATOM 1430 CA GLY B 67 5.207 6.700 22.280 1.00 15.53 C ATOM 1431 C GLY B 67 6.679 6.634 22.631 1.00 15.89 C ATOM 1432 O GLY B 67 7.049 6.488 23.799 1.00 16.21 O ATOM 1433 N GLY B 68 7.530 6.753 21.621 1.00 14.71 N ATOM 1434 CA GLY B 68 8.973 6.655 21.844 1.00 16.22 C ATOM 1435 C GLY B 68 9.720 6.942 20.573 1.00 15.58 C ATOM 1436 O GLY B 68 9.109 7.357 19.567 1.00 16.45 O ATOM 1437 N LEU B 69 11.041 6.726 20.607 1.00 15.35 N ATOM 1438 CA LEU B 69 11.858 6.908 19.393 1.00 14.12 C ATOM 1439 C LEU B 69 12.847 5.794 19.271 1.00 14.29 C ATOM 1440 O LEU B 69 13.431 5.365 20.282 1.00 14.38 O ATOM 1441 CB LEU B 69 12.634 8.237 19.435 1.00 14.97 C ATOM 1442 CG LEU B 69 11.854 9.525 19.159 1.00 13.90 C ATOM 1443 CD1 LEU B 69 12.766 10.754 19.549 1.00 18.48 C ATOM 1444 CD2 LEU B 69 11.448 9.575 17.696 1.00 18.60 C ATOM 1445 N MET B 70 13.092 5.371 18.026 1.00 13.77 N ATOM 1446 CA MET B 70 14.047 4.291 17.779 1.00 13.37 C ATOM 1447 C MET B 70 15.462 4.643 18.299 1.00 13.77 C ATOM 1448 O MET B 70 16.132 3.812 18.918 1.00 13.66 O ATOM 1449 CB MET B 70 14.058 3.856 16.299 1.00 13.57 C ATOM 1450 CG MET B 70 12.738 3.222 15.830 1.00 13.29 C ATOM 1451 SD MET B 70 11.332 4.370 15.527 1.00 15.10 S ATOM 1452 CE MET B 70 11.717 4.955 13.866 1.00 14.30 C ATOM 1453 N ASP B 71 15.877 5.890 18.100 1.00 13.68 N ATOM 1454 CA ASP B 71 17.205 6.306 18.538 1.00 14.23 C ATOM 1455 C ASP B 71 17.313 6.185 20.060 1.00 14.34 C ATOM 1456 O ASP B 71 18.362 5.830 20.564 1.00 14.44 O ATOM 1457 CB ASP B 71 17.513 7.734 18.069 1.00 13.57 C ATOM 1458 CG ASP B 71 17.917 7.797 16.593 1.00 15.28 C ATOM 1459 OD1 ASP B 71 18.024 6.709 15.960 1.00 15.17 O ATOM 1460 OD2 ASP B 71 18.136 8.945 16.095 1.00 15.24 O ATOM 1461 N TYR B 72 16.232 6.502 20.771 1.00 14.07 N ATOM 1462 CA TYR B 72 16.220 6.353 22.240 1.00 14.21 C ATOM 1463 C TYR B 72 16.336 4.890 22.639 1.00 13.45 C ATOM 1464 O TYR B 72 17.046 4.554 23.601 1.00 13.29 O ATOM 1465 CB TYR B 72 14.948 6.945 22.850 1.00 13.81 C ATOM 1466 CG TYR B 72 14.836 8.463 22.785 1.00 14.25 C ATOM 1467 CD1 TYR B 72 13.641 9.084 23.171 1.00 15.17 C ATOM 1468 CD2 TYR B 72 15.897 9.275 22.322 1.00 14.86 C ATOM 1469 CE1 TYR B 72 13.508 10.479 23.137 1.00 15.72 C ATOM 1470 CE2 TYR B 72 15.766 10.685 22.271 1.00 15.76 C ATOM 1471 CZ TYR B 72 14.568 11.263 22.686 1.00 17.34 C ATOM 1472 OH TYR B 72 14.418 12.628 22.639 1.00 17.38 O ATOM 1473 N ALA B 73 15.631 4.023 21.914 1.00 13.77 N ATOM 1474 CA ALA B 73 15.764 2.570 22.111 1.00 14.70 C ATOM 1475 C ALA B 73 17.221 2.113 21.874 1.00 14.65 C ATOM 1476 O ALA B 73 17.756 1.305 22.647 1.00 14.54 O ATOM 1477 CB ALA B 73 14.775 1.809 21.187 1.00 14.57 C ATOM 1478 N PHE B 74 17.861 2.612 20.814 1.00 13.63 N ATOM 1479 CA PHE B 74 19.231 2.181 20.513 1.00 13.10 C ATOM 1480 C PHE B 74 20.192 2.651 21.621 1.00 12.67 C ATOM 1481 O PHE B 74 21.109 1.920 21.999 1.00 12.91 O ATOM 1482 CB PHE B 74 19.717 2.671 19.131 1.00 12.62 C ATOM 1483 CG PHE B 74 18.856 2.181 17.970 1.00 13.81 C ATOM 1484 CD1 PHE B 74 18.300 0.890 17.970 1.00 13.72 C ATOM 1485 CD2 PHE B 74 18.605 3.021 16.883 1.00 13.50 C ATOM 1486 CE1 PHE B 74 17.508 0.476 16.907 1.00 13.76 C ATOM 1487 CE2 PHE B 74 17.805 2.601 15.806 1.00 13.78 C ATOM 1488 CZ PHE B 74 17.262 1.333 15.823 1.00 14.56 C ATOM 1489 N GLN B 75 19.955 3.853 22.148 1.00 12.15 N ATOM 1490 CA GLN B 75 20.792 4.380 23.235 1.00 12.29 C ATOM 1491 C GLN B 75 20.575 3.529 24.490 1.00 13.38 C ATOM 1492 O GLN B 75 21.528 3.220 25.215 1.00 13.41 O ATOM 1493 CB GLN B 75 20.447 5.852 23.518 1.00 11.79 C ATOM 1494 CG GLN B 75 21.410 6.527 24.534 1.00 11.10 C ATOM 1495 CD GLN B 75 22.838 6.599 24.035 1.00 13.97 C ATOM 1496 OE1 GLN B 75 23.098 7.133 22.960 1.00 14.89 O ATOM 1497 NE2 GLN B 75 23.790 6.102 24.855 1.00 14.45 N ATOM 1498 N TYR B 76 19.326 3.137 24.765 1.00 13.23 N ATOM 1499 CA TYR B 76 19.065 2.247 25.914 1.00 13.30 C ATOM 1500 C TYR B 76 19.858 0.944 25.835 1.00 13.53 C ATOM 1501 O TYR B 76 20.444 0.508 26.821 1.00 13.38 O ATOM 1502 CB TYR B 76 17.565 1.917 26.052 1.00 13.86 C ATOM 1503 CG TYR B 76 17.345 0.711 26.980 1.00 12.91 C ATOM 1504 CD1 TYR B 76 17.376 0.858 28.369 1.00 13.94 C ATOM 1505 CD2 TYR B 76 17.131 -0.564 26.456 1.00 11.60 C ATOM 1506 CE1 TYR B 76 17.160 -0.251 29.245 1.00 10.45 C ATOM 1507 CE2 TYR B 76 16.958 -1.673 27.292 1.00 11.77 C ATOM 1508 CZ TYR B 76 16.971 -1.517 28.686 1.00 13.39 C ATOM 1509 OH TYR B 76 16.772 -2.614 29.509 1.00 13.46 O ATOM 1510 N VAL B 77 19.836 0.290 24.664 1.00 13.50 N ATOM 1511 CA VAL B 77 20.542 -0.982 24.521 1.00 13.83 C ATOM 1512 C VAL B 77 22.017 -0.793 24.840 1.00 14.01 C ATOM 1513 O VAL B 77 22.628 -1.626 25.521 1.00 13.90 O ATOM 1514 CB VAL B 77 20.335 -1.599 23.130 1.00 14.24 C ATOM 1515 CG1 VAL B 77 21.203 -2.847 22.941 1.00 15.98 C ATOM 1516 CG2 VAL B 77 18.820 -1.955 22.973 1.00 15.05 C ATOM 1517 N GLN B 78 22.573 0.317 24.376 1.00 14.33 N ATOM 1518 CA GLN B 78 23.986 0.625 24.646 1.00 14.15 C ATOM 1519 C GLN B 78 24.230 0.883 26.133 1.00 14.99 C ATOM 1520 O GLN B 78 25.158 0.289 26.753 1.00 14.46 O ATOM 1521 CB GLN B 78 24.422 1.837 23.840 1.00 14.85 C ATOM 1522 CG GLN B 78 25.913 2.081 23.997 1.00 14.36 C ATOM 1523 CD GLN B 78 26.352 3.297 23.223 1.00 18.24 C ATOM 1524 OE1 GLN B 78 25.563 3.907 22.512 1.00 17.64 O ATOM 1525 NE2 GLN B 78 27.638 3.609 23.306 1.00 19.74 N ATOM 1526 N ASP B 79 23.404 1.739 26.724 1.00 14.01 N ATOM 1527 CA ASP B 79 23.582 2.094 28.144 1.00 13.83 C ATOM 1528 C ASP B 79 23.418 0.843 29.005 1.00 13.43 C ATOM 1529 O ASP B 79 24.127 0.653 30.007 1.00 13.61 O ATOM 1530 CB ASP B 79 22.531 3.105 28.625 1.00 13.23 C ATOM 1531 CG ASP B 79 22.626 4.449 27.952 1.00 15.86 C ATOM 1532 OD1 ASP B 79 23.698 4.794 27.371 1.00 17.09 O ATOM 1533 OD2 ASP B 79 21.603 5.177 28.059 1.00 17.75 O ATOM 1534 N ASN B 80 22.480 0.000 28.606 1.00 13.84 N ATOM 1535 CA ASN B 80 22.066 -1.153 29.409 1.00 13.38 C ATOM 1536 C ASN B 80 23.054 -2.331 29.285 1.00 14.09 C ATOM 1537 O ASN B 80 23.139 -3.201 30.163 1.00 13.98 O ATOM 1538 CB ASN B 80 20.650 -1.570 28.975 1.00 13.65 C ATOM 1539 CG ASN B 80 20.059 -2.632 29.872 1.00 15.03 C ATOM 1540 OD1 ASN B 80 19.951 -2.441 31.081 1.00 17.12 O ATOM 1541 ND2 ASN B 80 19.698 -3.761 29.288 1.00 17.24 N ATOM 1542 N GLY B 81 23.857 -2.320 28.225 1.00 14.31 N ATOM 1543 CA GLY B 81 24.827 -3.378 27.975 1.00 15.43 C ATOM 1544 C GLY B 81 24.170 -4.648 27.459 1.00 16.27 C ATOM 1545 O GLY B 81 24.756 -5.732 27.575 1.00 15.83 O ATOM 1546 N GLY B 82 22.963 -4.531 26.890 1.00 14.89 N ATOM 1547 CA GLY B 82 22.267 -5.716 26.360 1.00 14.67 C ATOM 1548 C GLY B 82 20.773 -5.552 26.127 1.00 14.70 C ATOM 1549 O GLY B 82 20.223 -4.529 26.448 1.00 14.70 O ATOM 1550 N LEU B 83 20.137 -6.576 25.555 1.00 14.63 N ATOM 1551 CA LEU B 83 18.696 -6.588 25.278 1.00 13.81 C ATOM 1552 C LEU B 83 18.301 -8.047 25.281 1.00 14.03 C ATOM 1553 O LEU B 83 18.971 -8.860 24.636 1.00 14.11 O ATOM 1554 CB LEU B 83 18.326 -5.949 23.933 1.00 13.56 C ATOM 1555 CG LEU B 83 16.811 -5.798 23.639 1.00 15.37 C ATOM 1556 CD1 LEU B 83 16.164 -4.789 24.612 1.00 15.90 C ATOM 1557 CD2 LEU B 83 16.528 -5.412 22.168 1.00 17.29 C ATOM 1558 N ASP B 84 17.210 -8.371 25.979 1.00 13.96 N ATOM 1559 CA ASP B 84 16.745 -9.758 26.085 1.00 14.19 C ATOM 1560 C ASP B 84 16.038 -10.254 24.808 1.00 14.48 C ATOM 1561 O ASP B 84 15.511 -9.465 24.006 1.00 14.47 O ATOM 1562 CB ASP B 84 15.797 -9.932 27.286 1.00 15.02 C ATOM 1563 CG ASP B 84 16.525 -9.881 28.635 1.00 15.31 C ATOM 1564 OD1 ASP B 84 17.753 -10.199 28.675 1.00 16.12 O ATOM 1565 OD2 ASP B 84 15.890 -9.527 29.666 1.00 14.52 O ATOM 1566 N SER B 85 15.994 -11.577 24.654 1.00 14.37 N ATOM 1567 CA SER B 85 15.252 -12.199 23.558 1.00 14.42 C ATOM 1568 C SER B 85 13.736 -12.056 23.745 1.00 14.95 C ATOM 1569 O SER B 85 13.242 -11.908 24.879 1.00 14.59 O ATOM 1570 CB SER B 85 15.623 -13.677 23.431 1.00 14.57 C ATOM 1571 OG SER B 85 15.162 -14.389 24.578 1.00 14.16 O ATOM 1572 N GLU B 86 13.001 -12.092 22.628 1.00 14.95 N ATOM 1573 CA GLU B 86 11.521 -12.129 22.657 1.00 15.27 C ATOM 1574 C GLU B 86 11.049 -13.281 23.551 1.00 15.40 C ATOM 1575 O GLU B 86 10.152 -13.120 24.387 1.00 15.35 O ATOM 1576 CB GLU B 86 10.997 -12.351 21.230 1.00 15.73 C ATOM 1577 CG GLU B 86 9.506 -12.167 21.040 1.00 15.20 C ATOM 1578 CD GLU B 86 9.105 -10.695 21.072 1.00 18.07 C ATOM 1579 OE1 GLU B 86 8.715 -10.215 22.148 1.00 20.97 O ATOM 1580 OE2 GLU B 86 9.197 -10.012 20.015 1.00 18.84 O ATOM 1581 N GLU B 87 11.666 -14.444 23.353 1.00 16.37 N ATOM 1582 CA GLU B 87 11.316 -15.647 24.105 1.00 17.45 C ATOM 1583 C GLU B 87 11.439 -15.438 25.614 1.00 17.08 C ATOM 1584 O GLU B 87 10.545 -15.847 26.369 1.00 18.06 O ATOM 1585 CB GLU B 87 12.160 -16.830 23.614 1.00 17.74 C ATOM 1586 CG GLU B 87 11.826 -18.183 24.218 1.00 22.73 C ATOM 1587 CD GLU B 87 12.809 -19.278 23.778 1.00 29.97 C ATOM 1588 OE1 GLU B 87 13.481 -19.131 22.713 1.00 32.33 O ATOM 1589 OE2 GLU B 87 12.911 -20.301 24.507 1.00 35.62 O ATOM 1590 N SER B 88 12.523 -14.804 26.063 1.00 17.20 N ATOM 1591 CA SER B 88 12.789 -14.636 27.501 1.00 16.73 C ATOM 1592 C SER B 88 11.967 -13.513 28.125 1.00 17.00 C ATOM 1593 O SER B 88 11.898 -13.412 29.359 1.00 16.93 O ATOM 1594 CB SER B 88 14.274 -14.324 27.752 1.00 16.22 C ATOM 1595 OG SER B 88 14.572 -12.991 27.362 1.00 17.09 O ATOM 1596 N TYR B 89 11.384 -12.645 27.292 1.00 15.69 N ATOM 1597 CA TYR B 89 10.739 -11.419 27.814 1.00 15.19 C ATOM 1598 C TYR B 89 9.631 -11.032 26.828 1.00 15.78 C ATOM 1599 O TYR B 89 9.743 -10.046 26.105 1.00 15.55 O ATOM 1600 CB TYR B 89 11.789 -10.329 27.992 1.00 14.92 C ATOM 1601 CG TYR B 89 11.453 -9.142 28.869 1.00 15.24 C ATOM 1602 CD1 TYR B 89 10.126 -8.758 29.127 1.00 15.49 C ATOM 1603 CD2 TYR B 89 12.494 -8.344 29.399 1.00 16.24 C ATOM 1604 CE1 TYR B 89 9.835 -7.622 29.934 1.00 15.58 C ATOM 1605 CE2 TYR B 89 12.227 -7.215 30.186 1.00 13.82 C ATOM 1606 CZ TYR B 89 10.900 -6.865 30.447 1.00 16.94 C ATOM 1607 OH TYR B 89 10.644 -5.750 31.215 1.00 14.20 O ATOM 1608 N PRO B 90 8.549 -11.831 26.820 1.00 16.27 N ATOM 1609 CA PRO B 90 7.479 -11.793 25.820 1.00 16.04 C ATOM 1610 C PRO B 90 6.666 -10.504 25.862 1.00 15.59 C ATOM 1611 O PRO B 90 6.676 -9.781 26.881 1.00 15.13 O ATOM 1612 CB PRO B 90 6.602 -13.014 26.176 1.00 17.07 C ATOM 1613 CG PRO B 90 7.381 -13.790 27.183 1.00 17.83 C ATOM 1614 CD PRO B 90 8.314 -12.863 27.857 1.00 15.21 C ATOM 1615 N TYR B 91 5.963 -10.228 24.760 1.00 15.26 N ATOM 1616 CA TYR B 91 5.273 -8.958 24.575 1.00 15.81 C ATOM 1617 C TYR B 91 3.882 -8.972 25.211 1.00 15.78 C ATOM 1618 O TYR B 91 3.079 -9.911 24.977 1.00 17.16 O ATOM 1619 CB TYR B 91 5.140 -8.635 23.087 1.00 14.86 C ATOM 1620 CG TYR B 91 4.525 -7.266 22.846 1.00 15.03 C ATOM 1621 CD1 TYR B 91 5.215 -6.109 23.197 1.00 14.74 C ATOM 1622 CD2 TYR B 91 3.267 -7.137 22.259 1.00 16.78 C ATOM 1623 CE1 TYR B 91 4.648 -4.835 23.009 1.00 14.67 C ATOM 1624 CE2 TYR B 91 2.692 -5.862 22.045 1.00 13.09 C ATOM 1625 CZ TYR B 91 3.392 -4.737 22.412 1.00 14.26 C ATOM 1626 OH TYR B 91 2.837 -3.509 22.214 1.00 15.92 O ATOM 1627 N GLU B 92 3.615 -7.952 26.022 1.00 15.25 N ATOM 1628 CA GLU B 92 2.386 -7.857 26.822 1.00 15.69 C ATOM 1629 C GLU B 92 1.433 -6.742 26.376 1.00 16.33 C ATOM 1630 O GLU B 92 0.265 -6.717 26.809 1.00 16.63 O ATOM 1631 CB GLU B 92 2.762 -7.652 28.308 1.00 16.42 C ATOM 1632 CG GLU B 92 3.627 -8.792 28.913 1.00 16.23 C ATOM 1633 CD GLU B 92 4.123 -8.455 30.325 1.00 20.62 C ATOM 1634 OE1 GLU B 92 3.293 -8.157 31.207 1.00 23.22 O ATOM 1635 OE2 GLU B 92 5.352 -8.490 30.548 1.00 21.02 O ATOM 1636 N ALA B 93 1.902 -5.838 25.516 1.00 16.07 N ATOM 1637 CA ALA B 93 1.102 -4.678 25.015 1.00 16.65 C ATOM 1638 C ALA B 93 0.608 -3.710 26.098 1.00 16.94 C ATOM 1639 O ALA B 93 -0.408 -3.006 25.917 1.00 16.27 O ATOM 1640 CB ALA B 93 -0.074 -5.133 24.076 1.00 16.01 C ATOM 1641 N THR B 94 1.322 -3.688 27.229 1.00 17.28 N ATOM 1642 CA THR B 94 1.065 -2.751 28.316 1.00 18.39 C ATOM 1643 C THR B 94 2.405 -2.335 28.919 1.00 18.91 C ATOM 1644 O THR B 94 3.380 -3.076 28.819 1.00 19.91 O ATOM 1645 CB THR B 94 0.219 -3.389 29.441 1.00 18.40 C ATOM 1646 OG1 THR B 94 0.862 -4.588 29.886 1.00 19.55 O ATOM 1647 CG2 THR B 94 -1.173 -3.741 28.959 1.00 16.47 C ATOM 1648 N GLU B 95 2.479 -1.164 29.543 1.00 20.23 N ATOM 1649 CA GLU B 95 3.742 -0.800 30.224 1.00 20.57 C ATOM 1650 C GLU B 95 3.823 -1.443 31.618 1.00 19.93 C ATOM 1651 O GLU B 95 2.874 -1.381 32.420 1.00 19.60 O ATOM 1652 CB GLU B 95 3.944 0.721 30.313 1.00 22.36 C ATOM 1653 CG GLU B 95 5.442 1.099 30.479 1.00 25.56 C ATOM 1654 CD GLU B 95 5.707 2.594 30.586 1.00 32.51 C ATOM 1655 OE1 GLU B 95 4.818 3.414 30.253 1.00 35.00 O ATOM 1656 OE2 GLU B 95 6.817 2.960 31.017 1.00 35.47 O ATOM 1657 N GLU B 96 4.953 -2.080 31.905 1.00 17.83 N ATOM 1658 CA GLU B 96 5.107 -2.868 33.157 1.00 17.43 C ATOM 1659 C GLU B 96 6.456 -2.532 33.780 1.00 17.42 C ATOM 1660 O GLU B 96 7.242 -1.799 33.183 1.00 16.07 O ATOM 1661 CB GLU B 96 5.065 -4.366 32.826 1.00 17.42 C ATOM 1662 CG GLU B 96 3.795 -4.831 32.110 1.00 18.95 C ATOM 1663 CD GLU B 96 2.568 -4.798 32.993 1.00 23.67 C ATOM 1664 OE1 GLU B 96 2.712 -4.942 34.230 1.00 23.76 O ATOM 1665 OE2 GLU B 96 1.445 -4.627 32.461 1.00 25.03 O ATOM 1666 N SER B 97 6.729 -3.065 34.977 1.00 17.52 N ATOM 1667 CA SER B 97 8.029 -2.826 35.613 1.00 17.82 C ATOM 1668 C SER B 97 9.161 -3.510 34.818 1.00 17.24 C ATOM 1669 O SER B 97 8.956 -4.549 34.151 1.00 16.94 O ATOM 1670 CB SER B 97 8.012 -3.314 37.064 1.00 18.11 C ATOM 1671 OG SER B 97 7.967 -4.724 37.069 1.00 20.78 O ATOM 1672 N CYS B 98 10.344 -2.905 34.862 1.00 16.84 N ATOM 1673 CA CYS B 98 11.485 -3.445 34.126 1.00 17.34 C ATOM 1674 C CYS B 98 11.924 -4.806 34.686 1.00 16.66 C ATOM 1675 O CYS B 98 12.171 -4.933 35.888 1.00 16.46 O ATOM 1676 CB CYS B 98 12.643 -2.436 34.149 1.00 18.04 C ATOM 1677 SG CYS B 98 14.092 -2.974 33.180 1.00 22.12 S ATOM 1678 N LYS B 99 12.013 -5.821 33.817 1.00 16.09 N ATOM 1679 CA LYS B 99 12.414 -7.177 34.227 1.00 15.41 C ATOM 1680 C LYS B 99 13.614 -7.669 33.421 1.00 15.21 C ATOM 1681 O LYS B 99 13.834 -8.879 33.264 1.00 14.82 O ATOM 1682 CB LYS B 99 11.230 -8.160 34.130 1.00 15.70 C ATOM 1683 CG LYS B 99 9.995 -7.659 34.877 1.00 16.83 C ATOM 1684 CD LYS B 99 8.778 -8.549 34.684 1.00 16.33 C ATOM 1685 CE LYS B 99 7.603 -7.965 35.453 1.00 17.34 C ATOM 1686 NZ LYS B 99 7.138 -6.735 34.761 1.00 17.28 N ATOM 1687 N TYR B 100 14.401 -6.714 32.917 1.00 14.88 N ATOM 1688 CA TYR B 100 15.611 -7.034 32.157 1.00 13.80 C ATOM 1689 C TYR B 100 16.509 -7.967 32.940 1.00 14.03 C ATOM 1690 O TYR B 100 16.817 -7.711 34.110 1.00 13.28 O ATOM 1691 CB TYR B 100 16.400 -5.760 31.781 1.00 14.48 C ATOM 1692 CG TYR B 100 17.737 -6.097 31.200 1.00 13.16 C ATOM 1693 CD1 TYR B 100 17.835 -6.643 29.908 1.00 14.63 C ATOM 1694 CD2 TYR B 100 18.912 -5.958 31.956 1.00 13.99 C ATOM 1695 CE1 TYR B 100 19.067 -6.996 29.374 1.00 13.94 C ATOM 1696 CE2 TYR B 100 20.163 -6.305 31.398 1.00 12.45 C ATOM 1697 CZ TYR B 100 20.213 -6.821 30.112 1.00 15.02 C ATOM 1698 OH TYR B 100 21.428 -7.157 29.549 1.00 16.95 O ATOM 1699 N ASN B 101 16.923 -9.060 32.306 1.00 12.97 N ATOM 1700 CA ASN B 101 17.830 -10.004 32.943 1.00 13.97 C ATOM 1701 C ASN B 101 19.023 -10.211 32.019 1.00 14.61 C ATOM 1702 O ASN B 101 18.868 -10.739 30.908 1.00 14.85 O ATOM 1703 CB ASN B 101 17.113 -11.338 33.241 1.00 13.93 C ATOM 1704 CG ASN B 101 18.015 -12.346 33.918 1.00 14.84 C ATOM 1705 OD1 ASN B 101 19.212 -12.117 34.069 1.00 15.91 O ATOM 1706 ND2 ASN B 101 17.441 -13.464 34.344 1.00 13.67 N ATOM 1707 N PRO B 102 20.216 -9.784 32.458 1.00 14.98 N ATOM 1708 CA PRO B 102 21.380 -9.926 31.578 1.00 15.56 C ATOM 1709 C PRO B 102 21.676 -11.366 31.147 1.00 16.93 C ATOM 1710 O PRO B 102 22.293 -11.555 30.090 1.00 16.24 O ATOM 1711 CB PRO B 102 22.535 -9.414 32.440 1.00 15.57 C ATOM 1712 CG PRO B 102 22.047 -9.553 33.861 1.00 15.70 C ATOM 1713 CD PRO B 102 20.588 -9.211 33.771 1.00 15.11 C ATOM 1714 N LYS B 103 21.274 -12.361 31.954 1.00 17.18 N ATOM 1715 CA LYS B 103 21.473 -13.772 31.587 1.00 18.72 C ATOM 1716 C LYS B 103 20.868 -14.114 30.227 1.00 18.65 C ATOM 1717 O LYS B 103 21.372 -14.994 29.518 1.00 19.57 O ATOM 1718 CB LYS B 103 20.894 -14.717 32.649 1.00 19.30 C ATOM 1719 CG LYS B 103 20.919 -16.218 32.250 1.00 23.69 C ATOM 1720 CD LYS B 103 20.021 -17.078 33.154 1.00 28.95 C ATOM 1721 CE LYS B 103 19.870 -18.518 32.618 1.00 32.11 C ATOM 1722 NZ LYS B 103 18.935 -19.337 33.468 1.00 34.34 N ATOM 1723 N TYR B 104 19.794 -13.420 29.865 1.00 17.53 N ATOM 1724 CA TYR B 104 19.082 -13.684 28.621 1.00 16.97 C ATOM 1725 C TYR B 104 19.310 -12.666 27.514 1.00 16.69 C ATOM 1726 O TYR B 104 18.599 -12.682 26.485 1.00 15.96 O ATOM 1727 CB TYR B 104 17.586 -13.861 28.900 1.00 17.78 C ATOM 1728 CG TYR B 104 17.305 -15.086 29.758 1.00 19.64 C ATOM 1729 CD1 TYR B 104 16.897 -14.957 31.091 1.00 21.91 C ATOM 1730 CD2 TYR B 104 17.463 -16.373 29.232 1.00 22.77 C ATOM 1731 CE1 TYR B 104 16.644 -16.080 31.877 1.00 22.38 C ATOM 1732 CE2 TYR B 104 17.211 -17.502 30.006 1.00 22.57 C ATOM 1733 CZ TYR B 104 16.803 -17.338 31.329 1.00 23.25 C ATOM 1734 OH TYR B 104 16.554 -18.452 32.103 1.00 23.73 O ATOM 1735 N SER B 105 20.307 -11.790 27.700 1.00 15.61 N ATOM 1736 CA SER B 105 20.639 -10.829 26.656 1.00 15.77 C ATOM 1737 C SER B 105 21.169 -11.582 25.450 1.00 15.53 C ATOM 1738 O SER B 105 21.986 -12.492 25.602 1.00 15.79 O ATOM 1739 CB SER B 105 21.677 -9.824 27.127 1.00 15.24 C ATOM 1740 OG SER B 105 22.023 -8.974 26.025 1.00 15.99 O ATOM 1741 N VAL B 106 20.663 -11.238 24.269 1.00 15.41 N ATOM 1742 CA VAL B 106 21.167 -11.834 23.030 1.00 15.36 C ATOM 1743 C VAL B 106 21.592 -10.791 21.988 1.00 15.65 C ATOM 1744 O VAL B 106 21.937 -11.142 20.862 1.00 15.53 O ATOM 1745 CB VAL B 106 20.133 -12.780 22.383 1.00 15.29 C ATOM 1746 CG1 VAL B 106 19.944 -14.055 23.243 1.00 16.73 C ATOM 1747 CG2 VAL B 106 18.801 -12.050 22.093 1.00 16.90 C ATOM 1748 N ALA B 107 21.563 -9.517 22.354 1.00 15.97 N ATOM 1749 CA ALA B 107 21.981 -8.451 21.426 1.00 16.47 C ATOM 1750 C ALA B 107 22.614 -7.310 22.203 1.00 17.11 C ATOM 1751 O ALA B 107 22.401 -7.170 23.410 1.00 16.95 O ATOM 1752 CB ALA B 107 20.785 -7.939 20.589 1.00 17.10 C ATOM 1753 N ASN B 108 23.427 -6.517 21.513 1.00 16.52 N ATOM 1754 CA ASN B 108 24.031 -5.324 22.097 1.00 16.83 C ATOM 1755 C ASN B 108 24.168 -4.311 20.974 1.00 16.87 C ATOM 1756 O ASN B 108 23.978 -4.662 19.800 1.00 16.53 O ATOM 1757 CB AASN B 108 25.517 -5.674 22.468 0.50 16.92 C ATOM 1758 CB BASN B 108 25.247 -5.523 23.014 0.50 16.09 C ATOM 1759 CG AASN B 108 25.763 -6.028 23.966 0.50 19.12 C ATOM 1760 CG BASN B 108 26.289 -6.408 22.442 0.50 16.23 C ATOM 1761 OD1AASN B 108 25.458 -5.249 24.841 0.50 18.62 O ATOM 1762 OD1BASN B 108 27.076 -7.008 23.190 0.50 13.33 O ATOM 1763 ND2AASN B 108 26.376 -7.200 24.231 0.50 23.88 N ATOM 1764 ND2BASN B 108 26.341 -6.495 21.128 0.50 13.52 N ATOM 1765 N ASP B 109 24.457 -3.063 21.311 1.00 16.86 N ATOM 1766 CA ASP B 109 24.840 -2.101 20.275 1.00 17.69 C ATOM 1767 C ASP B 109 25.840 -1.090 20.819 1.00 17.97 C ATOM 1768 O ASP B 109 26.037 -0.991 22.058 1.00 18.55 O ATOM 1769 CB ASP B 109 23.626 -1.485 19.512 1.00 17.99 C ATOM 1770 CG ASP B 109 22.850 -0.431 20.321 1.00 19.38 C ATOM 1771 OD1 ASP B 109 21.628 -0.387 20.181 1.00 22.77 O ATOM 1772 OD2 ASP B 109 23.447 0.360 21.043 1.00 25.26 O ATOM 1773 N THR B 110 26.517 -0.407 19.903 1.00 17.15 N ATOM 1774 CA THR B 110 27.614 0.506 20.272 1.00 18.26 C ATOM 1775 C THR B 110 27.254 1.962 19.996 1.00 17.90 C ATOM 1776 O THR B 110 28.128 2.832 20.036 1.00 18.74 O ATOM 1777 CB THR B 110 28.910 0.159 19.520 1.00 18.89 C ATOM 1778 OG1 THR B 110 28.649 0.156 18.111 1.00 19.77 O ATOM 1779 CG2 THR B 110 29.435 -1.200 19.942 1.00 18.85 C ATOM 1780 N GLY B 111 25.971 2.202 19.709 1.00 17.64 N ATOM 1781 CA GLY B 111 25.507 3.507 19.225 1.00 16.45 C ATOM 1782 C GLY B 111 24.550 3.370 18.058 1.00 16.31 C ATOM 1783 O GLY B 111 24.011 2.286 17.791 1.00 16.50 O ATOM 1784 N PHE B 112 24.333 4.476 17.350 1.00 15.27 N ATOM 1785 CA PHE B 112 23.402 4.465 16.220 1.00 14.83 C ATOM 1786 C PHE B 112 23.824 5.549 15.237 1.00 15.12 C ATOM 1787 O PHE B 112 24.509 6.520 15.618 1.00 15.36 O ATOM 1788 CB PHE B 112 21.927 4.643 16.675 1.00 14.36 C ATOM 1789 CG PHE B 112 21.703 5.862 17.527 1.00 15.48 C ATOM 1790 CD1 PHE B 112 21.335 7.084 16.947 1.00 17.75 C ATOM 1791 CD2 PHE B 112 21.885 5.794 18.898 1.00 15.65 C ATOM 1792 CE1 PHE B 112 21.155 8.218 17.744 1.00 15.18 C ATOM 1793 CE2 PHE B 112 21.708 6.935 19.713 1.00 14.73 C ATOM 1794 CZ PHE B 112 21.335 8.145 19.123 1.00 13.73 C ATOM 1795 N VAL B 113 23.395 5.378 13.980 1.00 14.10 N ATOM 1796 CA VAL B 113 23.705 6.293 12.898 1.00 13.76 C ATOM 1797 C VAL B 113 22.400 6.794 12.301 1.00 14.21 C ATOM 1798 O VAL B 113 21.511 6.007 12.014 1.00 13.91 O ATOM 1799 CB VAL B 113 24.471 5.565 11.802 1.00 14.10 C ATOM 1800 CG1 VAL B 113 24.615 6.449 10.587 1.00 13.79 C ATOM 1801 CG2 VAL B 113 25.852 5.151 12.325 1.00 13.21 C ATOM 1802 N ASP B 114 22.302 8.114 12.126 1.00 13.17 N ATOM 1803 CA ASP B 114 21.119 8.749 11.560 1.00 14.26 C ATOM 1804 C ASP B 114 21.409 9.050 10.098 1.00 14.22 C ATOM 1805 O ASP B 114 22.472 9.610 9.772 1.00 14.15 O ATOM 1806 CB ASP B 114 20.811 10.033 12.347 1.00 13.98 C ATOM 1807 CG ASP B 114 20.252 9.730 13.752 1.00 15.18 C ATOM 1808 OD1 ASP B 114 20.978 9.925 14.755 1.00 16.89 O ATOM 1809 OD2 ASP B 114 19.084 9.283 13.837 1.00 16.20 O ATOM 1810 N ILE B 115 20.466 8.684 9.223 1.00 14.79 N ATOM 1811 CA ILE B 115 20.634 8.831 7.775 1.00 14.64 C ATOM 1812 C ILE B 115 20.304 10.259 7.345 1.00 14.39 C ATOM 1813 O ILE B 115 19.340 10.842 7.854 1.00 15.82 O ATOM 1814 CB AILE B 115 19.747 7.830 7.010 0.50 14.52 C ATOM 1815 CB BILE B 115 19.699 7.830 7.002 0.50 14.45 C ATOM 1816 CG1AILE B 115 20.265 6.410 7.221 0.50 15.75 C ATOM 1817 CG1BILE B 115 19.748 6.412 7.607 0.50 15.15 C ATOM 1818 CG2AILE B 115 19.703 8.142 5.513 0.50 14.46 C ATOM 1819 CG2BILE B 115 20.011 7.792 5.493 0.50 15.06 C ATOM 1820 CD1AILE B 115 19.223 5.390 7.044 0.50 15.04 C ATOM 1821 CD1BILE B 115 21.160 5.812 7.699 0.50 13.53 C ATOM 1822 N PRO B 116 21.096 10.840 6.418 1.00 14.69 N ATOM 1823 CA PRO B 116 20.667 12.139 5.873 1.00 14.46 C ATOM 1824 C PRO B 116 19.223 12.159 5.341 1.00 15.99 C ATOM 1825 O PRO B 116 18.708 11.146 4.867 1.00 15.15 O ATOM 1826 CB PRO B 116 21.702 12.416 4.773 1.00 14.67 C ATOM 1827 CG PRO B 116 22.924 11.635 5.192 1.00 14.03 C ATOM 1828 CD PRO B 116 22.379 10.390 5.850 1.00 14.55 C ATOM 1829 N LYS B 117 18.558 13.304 5.461 1.00 15.50 N ATOM 1830 CA LYS B 117 17.113 13.389 5.191 1.00 16.53 C ATOM 1831 C LYS B 117 16.809 13.458 3.693 1.00 17.03 C ATOM 1832 O LYS B 117 16.226 14.447 3.224 1.00 18.14 O ATOM 1833 CB LYS B 117 16.554 14.622 5.914 1.00 16.67 C ATOM 1834 CG LYS B 117 16.681 14.502 7.456 1.00 17.41 C ATOM 1835 CD LYS B 117 16.276 15.806 8.105 1.00 20.22 C ATOM 1836 CE LYS B 117 16.301 15.842 9.647 1.00 19.55 C ATOM 1837 NZ ALYS B 117 17.488 15.246 10.312 0.50 17.51 N ATOM 1838 NZ BLYS B 117 16.157 14.589 10.382 0.50 19.42 N ATOM 1839 N GLN B 118 17.220 12.427 2.938 1.00 16.22 N ATOM 1840 CA GLN B 118 17.021 12.342 1.480 1.00 16.79 C ATOM 1841 C GLN B 118 16.710 10.908 1.087 1.00 15.47 C ATOM 1842 O GLN B 118 17.357 9.994 1.614 1.00 14.87 O ATOM 1843 CB GLN B 118 18.316 12.700 0.755 1.00 18.30 C ATOM 1844 CG AGLN B 118 18.854 14.073 1.080 0.50 18.62 C ATOM 1845 CG BGLN B 118 18.726 14.140 0.904 0.50 19.45 C ATOM 1846 CD AGLN B 118 18.103 15.169 0.359 0.50 21.12 C ATOM 1847 CD BGLN B 118 20.010 14.267 1.666 0.50 22.98 C ATOM 1848 OE1AGLN B 118 17.274 14.903 -0.525 0.50 22.44 O ATOM 1849 OE1BGLN B 118 20.925 13.458 1.489 0.50 24.37 O ATOM 1850 NE2AGLN B 118 18.381 16.416 0.733 0.50 22.17 N ATOM 1851 NE2BGLN B 118 20.098 15.285 2.522 0.50 24.45 N ATOM 1852 N GLU B 119 15.763 10.701 0.154 1.00 15.21 N ATOM 1853 CA GLU B 119 15.490 9.343 -0.335 1.00 14.72 C ATOM 1854 C GLU B 119 16.684 8.691 -1.032 1.00 15.88 C ATOM 1855 O GLU B 119 16.832 7.465 -0.977 1.00 16.30 O ATOM 1856 CB GLU B 119 14.256 9.298 -1.229 1.00 14.87 C ATOM 1857 CG GLU B 119 12.966 9.495 -0.459 1.00 12.56 C ATOM 1858 CD GLU B 119 11.739 9.327 -1.359 1.00 17.06 C ATOM 1859 OE1 GLU B 119 11.366 10.279 -2.105 1.00 17.14 O ATOM 1860 OE2 GLU B 119 11.136 8.239 -1.308 1.00 17.58 O ATOM 1861 N LYS B 120 17.546 9.485 -1.670 1.00 15.19 N ATOM 1862 CA LYS B 120 18.788 8.912 -2.227 1.00 16.62 C ATOM 1863 C LYS B 120 19.675 8.264 -1.145 1.00 15.66 C ATOM 1864 O LYS B 120 20.193 7.137 -1.312 1.00 15.93 O ATOM 1865 CB LYS B 120 19.581 9.995 -2.985 1.00 17.50 C ATOM 1866 CG LYS B 120 20.778 9.413 -3.719 1.00 22.67 C ATOM 1867 CD LYS B 120 21.539 10.499 -4.486 1.00 29.69 C ATOM 1868 CE LYS B 120 22.801 9.929 -5.126 1.00 34.01 C ATOM 1869 NZ LYS B 120 22.499 8.593 -5.751 1.00 37.34 N ATOM 1870 N ALA B 121 19.826 8.963 -0.025 1.00 15.11 N ATOM 1871 CA ALA B 121 20.612 8.468 1.102 1.00 15.52 C ATOM 1872 C ALA B 121 19.969 7.262 1.765 1.00 15.21 C ATOM 1873 O ALA B 121 20.656 6.298 2.157 1.00 15.35 O ATOM 1874 CB ALA B 121 20.849 9.574 2.119 1.00 14.63 C ATOM 1875 N LEU B 122 18.640 7.284 1.859 1.00 13.63 N ATOM 1876 CA LEU B 122 17.930 6.160 2.431 1.00 13.67 C ATOM 1877 C LEU B 122 18.124 4.945 1.512 1.00 14.41 C ATOM 1878 O LEU B 122 18.361 3.849 2.005 1.00 14.89 O ATOM 1879 CB LEU B 122 16.442 6.471 2.596 1.00 14.34 C ATOM 1880 CG LEU B 122 15.617 5.338 3.217 1.00 14.79 C ATOM 1881 CD1 LEU B 122 16.188 4.810 4.566 1.00 14.45 C ATOM 1882 CD2 LEU B 122 14.178 5.842 3.390 1.00 15.14 C ATOM 1883 N MET B 123 18.069 5.156 0.194 1.00 14.13 N ATOM 1884 CA MET B 123 18.238 4.042 -0.737 1.00 15.03 C ATOM 1885 C MET B 123 19.626 3.393 -0.563 1.00 15.11 C ATOM 1886 O MET B 123 19.730 2.170 -0.469 1.00 14.74 O ATOM 1887 CB MET B 123 17.998 4.454 -2.198 1.00 14.53 C ATOM 1888 CG MET B 123 18.188 3.281 -3.147 1.00 17.28 C ATOM 1889 SD MET B 123 17.797 3.826 -4.812 1.00 21.59 S ATOM 1890 CE MET B 123 18.441 2.505 -5.831 1.00 25.92 C ATOM 1891 N LYS B 124 20.666 4.214 -0.460 1.00 15.48 N ATOM 1892 CA LYS B 124 22.031 3.697 -0.254 1.00 16.78 C ATOM 1893 C LYS B 124 22.173 2.957 1.077 1.00 15.91 C ATOM 1894 O LYS B 124 22.844 1.921 1.146 1.00 16.09 O ATOM 1895 CB LYS B 124 23.055 4.827 -0.296 1.00 17.43 C ATOM 1896 CG LYS B 124 24.468 4.335 0.023 1.00 23.57 C ATOM 1897 CD LYS B 124 25.531 5.037 -0.809 1.00 32.09 C ATOM 1898 CE LYS B 124 26.844 4.235 -0.827 1.00 34.84 C ATOM 1899 NZ LYS B 124 26.852 3.201 -1.928 1.00 37.08 N ATOM 1900 N ALA B 125 21.570 3.479 2.137 1.00 15.72 N ATOM 1901 CA ALA B 125 21.633 2.802 3.435 1.00 15.49 C ATOM 1902 C ALA B 125 20.930 1.454 3.365 1.00 15.82 C ATOM 1903 O ALA B 125 21.464 0.449 3.842 1.00 15.15 O ATOM 1904 CB ALA B 125 21.006 3.667 4.559 1.00 15.34 C ATOM 1905 N VAL B 126 19.745 1.418 2.752 1.00 15.89 N ATOM 1906 CA VAL B 126 19.003 0.138 2.665 1.00 16.35 C ATOM 1907 C VAL B 126 19.818 -0.911 1.898 1.00 16.43 C ATOM 1908 O VAL B 126 19.937 -2.069 2.319 1.00 17.12 O ATOM 1909 CB VAL B 126 17.613 0.292 2.034 1.00 16.46 C ATOM 1910 CG1 VAL B 126 16.981 -1.116 1.808 1.00 17.30 C ATOM 1911 CG2 VAL B 126 16.713 1.154 2.941 1.00 14.70 C ATOM 1912 N ALA B 127 20.382 -0.480 0.776 1.00 16.46 N ATOM 1913 CA ALA B 127 21.195 -1.330 -0.070 1.00 17.08 C ATOM 1914 C ALA B 127 22.443 -1.861 0.644 1.00 18.45 C ATOM 1915 O ALA B 127 22.830 -3.041 0.453 1.00 17.62 O ATOM 1916 CB ALA B 127 21.574 -0.572 -1.337 1.00 17.30 C ATOM 1917 N THR B 128 23.084 -1.004 1.445 1.00 18.68 N ATOM 1918 CA THR B 128 24.402 -1.340 2.009 1.00 18.73 C ATOM 1919 C THR B 128 24.384 -1.877 3.450 1.00 18.36 C ATOM 1920 O THR B 128 25.275 -2.616 3.828 1.00 20.10 O ATOM 1921 CB THR B 128 25.424 -0.172 1.882 1.00 19.27 C ATOM 1922 OG1 THR B 128 24.978 0.952 2.631 1.00 23.33 O ATOM 1923 CG2 THR B 128 25.562 0.285 0.449 1.00 19.90 C ATOM 1924 N VAL B 129 23.387 -1.505 4.245 1.00 16.43 N ATOM 1925 CA VAL B 129 23.416 -1.790 5.679 1.00 15.64 C ATOM 1926 C VAL B 129 22.521 -2.950 6.047 1.00 15.13 C ATOM 1927 O VAL B 129 22.905 -3.819 6.848 1.00 14.41 O ATOM 1928 CB VAL B 129 23.017 -0.505 6.492 1.00 15.54 C ATOM 1929 CG1 VAL B 129 22.747 -0.826 7.959 1.00 17.43 C ATOM 1930 CG2 VAL B 129 24.097 0.552 6.362 1.00 17.11 C ATOM 1931 N GLY B 130 21.302 -2.957 5.493 1.00 14.35 N ATOM 1932 CA GLY B 130 20.255 -3.896 5.929 1.00 14.41 C ATOM 1933 C GLY B 130 18.972 -3.106 6.237 1.00 14.21 C ATOM 1934 O GLY B 130 18.841 -1.938 5.849 1.00 13.45 O ATOM 1935 N PRO B 131 18.018 -3.725 6.953 1.00 13.96 N ATOM 1936 CA PRO B 131 16.753 -3.035 7.287 1.00 13.89 C ATOM 1937 C PRO B 131 16.986 -1.773 8.095 1.00 13.48 C ATOM 1938 O PRO B 131 17.885 -1.751 8.946 1.00 13.14 O ATOM 1939 CB PRO B 131 15.983 -4.087 8.090 1.00 14.42 C ATOM 1940 CG PRO B 131 16.526 -5.417 7.496 1.00 13.28 C ATOM 1941 CD PRO B 131 18.013 -5.129 7.400 1.00 14.09 C ATOM 1942 N ILE B 132 16.216 -0.729 7.796 1.00 13.12 N ATOM 1943 CA ILE B 132 16.446 0.604 8.374 1.00 12.90 C ATOM 1944 C ILE B 132 15.196 1.070 9.115 1.00 13.44 C ATOM 1945 O ILE B 132 14.072 0.987 8.577 1.00 13.16 O ATOM 1946 CB ILE B 132 16.801 1.652 7.248 1.00 14.39 C ATOM 1947 CG1 ILE B 132 18.060 1.238 6.454 1.00 13.59 C ATOM 1948 CG2 ILE B 132 16.965 3.085 7.879 1.00 13.95 C ATOM 1949 CD1 ILE B 132 19.344 1.110 7.324 1.00 13.64 C ATOM 1950 N SER B 133 15.371 1.571 10.345 1.00 12.62 N ATOM 1951 CA SER B 133 14.263 2.162 11.101 1.00 14.14 C ATOM 1952 C SER B 133 13.849 3.501 10.489 1.00 13.08 C ATOM 1953 O SER B 133 14.685 4.332 10.254 1.00 14.49 O ATOM 1954 CB SER B 133 14.706 2.411 12.556 1.00 13.64 C ATOM 1955 OG SER B 133 14.802 1.180 13.278 1.00 14.42 O ATOM 1956 N VAL B 134 12.549 3.708 10.248 1.00 13.81 N ATOM 1957 CA VAL B 134 12.072 4.973 9.674 1.00 13.44 C ATOM 1958 C VAL B 134 10.815 5.434 10.391 1.00 14.08 C ATOM 1959 O VAL B 134 10.094 4.603 10.977 1.00 13.66 O ATOM 1960 CB VAL B 134 11.755 4.889 8.155 1.00 13.27 C ATOM 1961 CG1 VAL B 134 12.997 4.463 7.355 1.00 12.47 C ATOM 1962 CG2 VAL B 134 10.593 3.901 7.854 1.00 13.74 C ATOM 1963 N ALA B 135 10.573 6.747 10.326 1.00 13.44 N ATOM 1964 CA ALA B 135 9.307 7.319 10.802 1.00 13.91 C ATOM 1965 C ALA B 135 8.487 7.725 9.601 1.00 14.72 C ATOM 1966 O ALA B 135 9.042 8.295 8.640 1.00 14.65 O ATOM 1967 CB ALA B 135 9.560 8.549 11.683 1.00 14.08 C ATOM 1968 N ILE B 136 7.182 7.449 9.643 1.00 14.06 N ATOM 1969 CA ILE B 136 6.286 7.911 8.595 1.00 14.15 C ATOM 1970 C ILE B 136 5.044 8.590 9.203 1.00 15.23 C ATOM 1971 O ILE B 136 4.714 8.399 10.375 1.00 15.01 O ATOM 1972 CB ILE B 136 5.775 6.748 7.702 1.00 14.96 C ATOM 1973 CG1 ILE B 136 5.030 5.669 8.548 1.00 14.47 C ATOM 1974 CG2 ILE B 136 6.947 6.168 6.854 1.00 16.01 C ATOM 1975 CD1 ILE B 136 4.262 4.606 7.700 1.00 15.57 C ATOM 1976 N ASP B 137 4.386 9.367 8.362 1.00 14.94 N ATOM 1977 CA ASP B 137 3.015 9.848 8.639 1.00 14.57 C ATOM 1978 C ASP B 137 2.033 8.737 8.303 1.00 14.95 C ATOM 1979 O ASP B 137 1.686 8.537 7.118 1.00 14.32 O ATOM 1980 CB ASP B 137 2.751 11.084 7.767 1.00 15.11 C ATOM 1981 CG ASP B 137 1.372 11.686 7.978 1.00 16.52 C ATOM 1982 OD1 ASP B 137 0.652 11.221 8.904 1.00 15.03 O ATOM 1983 OD2 ASP B 137 1.026 12.662 7.235 1.00 15.55 O ATOM 1984 N ALA B 138 1.570 8.038 9.352 1.00 15.36 N ATOM 1985 CA ALA B 138 0.600 6.948 9.233 1.00 16.04 C ATOM 1986 C ALA B 138 -0.805 7.396 9.651 1.00 16.04 C ATOM 1987 O ALA B 138 -1.731 6.577 9.684 1.00 17.38 O ATOM 1988 CB ALA B 138 1.032 5.756 10.106 1.00 15.77 C ATOM 1989 N GLY B 139 -0.985 8.675 9.969 1.00 16.39 N ATOM 1990 CA GLY B 139 -2.262 9.126 10.558 1.00 16.95 C ATOM 1991 C GLY B 139 -3.369 9.430 9.544 1.00 16.70 C ATOM 1992 O GLY B 139 -3.958 10.510 9.569 1.00 17.72 O ATOM 1993 N HIS B 140 -3.635 8.494 8.637 1.00 15.99 N ATOM 1994 CA HIS B 140 -4.681 8.652 7.632 1.00 14.99 C ATOM 1995 C HIS B 140 -5.483 7.392 7.510 1.00 14.44 C ATOM 1996 O HIS B 140 -4.908 6.304 7.511 1.00 15.49 O ATOM 1997 CB HIS B 140 -4.039 8.964 6.271 1.00 15.42 C ATOM 1998 CG HIS B 140 -3.234 10.217 6.305 1.00 16.56 C ATOM 1999 ND1 HIS B 140 -3.796 11.457 6.115 1.00 19.35 N ATOM 2000 CD2 HIS B 140 -1.937 10.434 6.608 1.00 17.92 C ATOM 2001 CE1 HIS B 140 -2.871 12.386 6.258 1.00 17.95 C ATOM 2002 NE2 HIS B 140 -1.733 11.795 6.566 1.00 19.21 N ATOM 2003 N GLU B 141 -6.801 7.522 7.357 1.00 13.58 N ATOM 2004 CA GLU B 141 -7.648 6.329 7.195 1.00 13.47 C ATOM 2005 C GLU B 141 -7.227 5.448 6.016 1.00 13.27 C ATOM 2006 O GLU B 141 -7.375 4.226 6.052 1.00 14.34 O ATOM 2007 CB GLU B 141 -9.100 6.764 7.084 1.00 14.23 C ATOM 2008 CG GLU B 141 -9.606 7.288 8.432 1.00 14.40 C ATOM 2009 CD GLU B 141 -10.028 6.171 9.373 1.00 18.17 C ATOM 2010 OE1 GLU B 141 -9.971 6.370 10.610 1.00 14.76 O ATOM 2011 OE2 GLU B 141 -10.413 5.092 8.866 1.00 15.45 O ATOM 2012 N SER B 142 -6.695 6.057 4.966 1.00 12.98 N ATOM 2013 CA SER B 142 -6.212 5.236 3.835 1.00 13.67 C ATOM 2014 C SER B 142 -5.159 4.212 4.250 1.00 13.68 C ATOM 2015 O SER B 142 -5.081 3.136 3.664 1.00 14.27 O ATOM 2016 CB SER B 142 -5.659 6.136 2.728 1.00 15.26 C ATOM 2017 OG SER B 142 -4.578 6.897 3.219 1.00 15.41 O ATOM 2018 N PHE B 143 -4.336 4.552 5.240 1.00 13.93 N ATOM 2019 CA PHE B 143 -3.288 3.644 5.741 1.00 13.14 C ATOM 2020 C PHE B 143 -3.917 2.502 6.543 1.00 13.91 C ATOM 2021 O PHE B 143 -3.536 1.331 6.390 1.00 12.41 O ATOM 2022 CB PHE B 143 -2.229 4.430 6.546 1.00 13.14 C ATOM 2023 CG PHE B 143 -0.933 3.667 6.782 1.00 13.47 C ATOM 2024 CD1 PHE B 143 -0.646 3.120 8.053 1.00 16.32 C ATOM 2025 CD2 PHE B 143 -0.007 3.500 5.755 1.00 16.15 C ATOM 2026 CE1 PHE B 143 0.537 2.423 8.276 1.00 15.83 C ATOM 2027 CE2 PHE B 143 1.194 2.787 5.973 1.00 14.76 C ATOM 2028 CZ PHE B 143 1.460 2.254 7.244 1.00 15.86 C ATOM 2029 N LEU B 144 -4.906 2.820 7.372 1.00 13.11 N ATOM 2030 CA LEU B 144 -5.596 1.756 8.120 1.00 13.32 C ATOM 2031 C LEU B 144 -6.275 0.749 7.159 1.00 13.57 C ATOM 2032 O LEU B 144 -6.313 -0.465 7.445 1.00 13.47 O ATOM 2033 CB LEU B 144 -6.640 2.359 9.058 1.00 13.35 C ATOM 2034 CG LEU B 144 -6.130 2.914 10.411 1.00 14.39 C ATOM 2035 CD1 LEU B 144 -4.953 3.873 10.282 1.00 17.56 C ATOM 2036 CD2 LEU B 144 -7.299 3.604 11.168 1.00 15.36 C ATOM 2037 N PHE B 145 -6.837 1.269 6.059 1.00 13.26 N ATOM 2038 CA PHE B 145 -7.538 0.443 5.048 1.00 13.59 C ATOM 2039 C PHE B 145 -6.629 -0.167 3.963 1.00 13.67 C ATOM 2040 O PHE B 145 -7.123 -0.833 3.046 1.00 13.89 O ATOM 2041 CB PHE B 145 -8.604 1.325 4.395 1.00 13.89 C ATOM 2042 CG PHE B 145 -9.897 1.373 5.162 1.00 13.72 C ATOM 2043 CD1 PHE B 145 -10.031 2.126 6.338 1.00 15.16 C ATOM 2044 CD2 PHE B 145 -11.016 0.662 4.690 1.00 14.54 C ATOM 2045 CE1 PHE B 145 -11.254 2.144 7.031 1.00 15.86 C ATOM 2046 CE2 PHE B 145 -12.255 0.683 5.384 1.00 17.02 C ATOM 2047 CZ PHE B 145 -12.373 1.426 6.547 1.00 16.88 C ATOM 2048 N TYR B 146 -5.311 0.033 4.078 1.00 13.59 N ATOM 2049 CA TYR B 146 -4.378 -0.440 3.041 1.00 14.57 C ATOM 2050 C TYR B 146 -4.417 -1.963 2.909 1.00 14.25 C ATOM 2051 O TYR B 146 -4.344 -2.690 3.914 1.00 14.09 O ATOM 2052 CB TYR B 146 -2.941 0.046 3.307 1.00 14.31 C ATOM 2053 CG TYR B 146 -1.958 -0.570 2.355 1.00 15.46 C ATOM 2054 CD1 TYR B 146 -1.835 -0.092 1.052 1.00 14.80 C ATOM 2055 CD2 TYR B 146 -1.187 -1.668 2.746 1.00 14.26 C ATOM 2056 CE1 TYR B 146 -0.922 -0.712 0.148 1.00 13.68 C ATOM 2057 CE2 TYR B 146 -0.311 -2.285 1.868 1.00 14.04 C ATOM 2058 CZ TYR B 146 -0.176 -1.794 0.581 1.00 14.87 C ATOM 2059 OH TYR B 146 0.728 -2.381 -0.267 1.00 13.08 O ATOM 2060 N LYS B 147 -4.485 -2.425 1.651 1.00 13.83 N ATOM 2061 CA LYS B 147 -4.542 -3.844 1.339 1.00 14.31 C ATOM 2062 C LYS B 147 -3.402 -4.289 0.425 1.00 13.76 C ATOM 2063 O LYS B 147 -2.724 -5.251 0.735 1.00 14.34 O ATOM 2064 CB LYS B 147 -5.891 -4.207 0.690 1.00 13.92 C ATOM 2065 CG LYS B 147 -7.100 -3.936 1.613 1.00 15.14 C ATOM 2066 CD LYS B 147 -8.424 -4.183 0.870 1.00 16.16 C ATOM 2067 CE LYS B 147 -9.599 -3.933 1.812 1.00 18.04 C ATOM 2068 NZ LYS B 147 -9.681 -2.471 2.253 1.00 17.21 N ATOM 2069 N GLU B 148 -3.213 -3.608 -0.711 1.00 13.37 N ATOM 2070 CA GLU B 148 -2.189 -4.014 -1.683 1.00 13.25 C ATOM 2071 C GLU B 148 -1.891 -2.890 -2.620 1.00 13.82 C ATOM 2072 O GLU B 148 -2.619 -1.911 -2.653 1.00 14.65 O ATOM 2073 CB GLU B 148 -2.633 -5.248 -2.494 1.00 14.54 C ATOM 2074 CG GLU B 148 -3.834 -5.014 -3.382 1.00 13.37 C ATOM 2075 CD GLU B 148 -4.152 -6.219 -4.231 1.00 18.79 C ATOM 2076 OE1 GLU B 148 -3.538 -6.363 -5.318 1.00 15.49 O ATOM 2077 OE2 GLU B 148 -4.988 -7.047 -3.819 1.00 14.83 O ATOM 2078 N GLY B 149 -0.819 -3.049 -3.396 1.00 14.32 N ATOM 2079 CA GLY B 149 -0.414 -2.036 -4.366 1.00 14.81 C ATOM 2080 C GLY B 149 0.479 -0.982 -3.736 1.00 15.01 C ATOM 2081 O GLY B 149 0.854 -1.077 -2.562 1.00 14.43 O ATOM 2082 N ILE B 150 0.848 0.028 -4.525 1.00 14.48 N ATOM 2083 CA ILE B 150 1.696 1.078 -3.977 1.00 14.33 C ATOM 2084 C ILE B 150 0.842 2.100 -3.241 1.00 14.73 C ATOM 2085 O ILE B 150 -0.109 2.649 -3.802 1.00 15.80 O ATOM 2086 CB ILE B 150 2.520 1.779 -5.084 1.00 14.61 C ATOM 2087 CG1 ILE B 150 3.425 0.779 -5.791 1.00 14.57 C ATOM 2088 CG2 ILE B 150 3.358 2.920 -4.466 1.00 15.32 C ATOM 2089 CD1 ILE B 150 4.121 1.378 -7.038 1.00 18.27 C ATOM 2090 N TYR B 151 1.151 2.312 -1.970 1.00 14.62 N ATOM 2091 CA TYR B 151 0.431 3.275 -1.148 1.00 13.74 C ATOM 2092 C TYR B 151 0.878 4.710 -1.492 1.00 14.16 C ATOM 2093 O TYR B 151 2.058 5.050 -1.371 1.00 13.71 O ATOM 2094 CB TYR B 151 0.706 2.998 0.346 1.00 13.48 C ATOM 2095 CG TYR B 151 -0.016 3.972 1.264 1.00 12.12 C ATOM 2096 CD1 TYR B 151 -1.378 3.820 1.509 1.00 14.41 C ATOM 2097 CD2 TYR B 151 0.670 5.004 1.930 1.00 14.43 C ATOM 2098 CE1 TYR B 151 -2.070 4.721 2.357 1.00 15.36 C ATOM 2099 CE2 TYR B 151 -0.002 5.888 2.762 1.00 14.54 C ATOM 2100 CZ TYR B 151 -1.370 5.748 2.974 1.00 14.12 C ATOM 2101 OH TYR B 151 -2.013 6.623 3.835 1.00 14.94 O ATOM 2102 N PHE B 152 -0.083 5.536 -1.895 1.00 13.45 N ATOM 2103 CA PHE B 152 0.163 6.976 -2.091 1.00 13.64 C ATOM 2104 C PHE B 152 -1.025 7.721 -1.488 1.00 13.70 C ATOM 2105 O PHE B 152 -2.178 7.479 -1.859 1.00 15.71 O ATOM 2106 CB PHE B 152 0.326 7.315 -3.583 1.00 13.70 C ATOM 2107 CG PHE B 152 0.585 8.771 -3.826 1.00 14.45 C ATOM 2108 CD1 PHE B 152 1.872 9.284 -3.637 1.00 15.15 C ATOM 2109 CD2 PHE B 152 -0.452 9.638 -4.226 1.00 14.89 C ATOM 2110 CE1 PHE B 152 2.159 10.656 -3.840 1.00 15.72 C ATOM 2111 CE2 PHE B 152 -0.174 11.047 -4.436 1.00 15.51 C ATOM 2112 CZ PHE B 152 1.140 11.520 -4.237 1.00 15.47 C ATOM 2113 N GLU B 153 -0.746 8.602 -0.542 1.00 13.89 N ATOM 2114 CA GLU B 153 -1.803 9.379 0.112 1.00 14.35 C ATOM 2115 C GLU B 153 -1.571 10.872 -0.153 1.00 14.61 C ATOM 2116 O GLU B 153 -0.624 11.457 0.374 1.00 15.37 O ATOM 2117 CB GLU B 153 -1.836 9.049 1.612 1.00 15.19 C ATOM 2118 CG GLU B 153 -2.675 9.990 2.484 1.00 16.21 C ATOM 2119 CD GLU B 153 -4.076 10.162 1.971 1.00 18.65 C ATOM 2120 OE1 GLU B 153 -4.397 11.273 1.493 1.00 17.60 O ATOM 2121 OE2 GLU B 153 -4.876 9.199 2.032 1.00 16.60 O ATOM 2122 N PRO B 154 -2.418 11.495 -1.010 1.00 14.63 N ATOM 2123 CA PRO B 154 -2.169 12.922 -1.347 1.00 15.26 C ATOM 2124 C PRO B 154 -2.016 13.837 -0.125 1.00 15.09 C ATOM 2125 O PRO B 154 -1.277 14.819 -0.192 1.00 15.74 O ATOM 2126 CB PRO B 154 -3.401 13.329 -2.163 1.00 14.59 C ATOM 2127 CG PRO B 154 -3.961 12.054 -2.684 1.00 16.39 C ATOM 2128 CD PRO B 154 -3.593 10.948 -1.715 1.00 14.99 C ATOM 2129 N ASP B 155 -2.660 13.493 0.995 1.00 14.94 N ATOM 2130 CA ASP B 155 -2.615 14.377 2.192 1.00 15.84 C ATOM 2131 C ASP B 155 -1.464 14.073 3.167 1.00 15.22 C ATOM 2132 O ASP B 155 -1.401 14.666 4.279 1.00 16.07 O ATOM 2133 CB ASP B 155 -3.967 14.338 2.916 1.00 16.14 C ATOM 2134 CG AASP B 155 -5.066 15.011 2.143 0.50 18.94 C ATOM 2135 CG BASP B 155 -4.128 15.450 3.969 0.50 16.16 C ATOM 2136 OD1AASP B 155 -4.930 15.271 0.926 0.50 22.51 O ATOM 2137 OD1BASP B 155 -3.913 16.641 3.645 0.50 15.26 O ATOM 2138 OD2AASP B 155 -6.098 15.301 2.769 0.50 24.43 O ATOM 2139 OD2BASP B 155 -4.496 15.133 5.128 0.50 16.32 O ATOM 2140 N CYS B 156 -0.547 13.184 2.772 1.00 16.01 N ATOM 2141 CA CYS B 156 0.587 12.789 3.635 1.00 16.26 C ATOM 2142 C CYS B 156 1.578 13.921 3.832 1.00 16.72 C ATOM 2143 O CYS B 156 1.820 14.700 2.905 1.00 17.92 O ATOM 2144 CB CYS B 156 1.338 11.567 3.067 1.00 15.52 C ATOM 2145 SG CYS B 156 1.469 10.234 4.322 1.00 18.55 S ATOM 2146 N SER B 157 2.154 14.011 5.029 1.00 15.59 N ATOM 2147 CA SER B 157 3.168 15.049 5.305 1.00 15.51 C ATOM 2148 C SER B 157 4.560 14.445 5.208 1.00 15.28 C ATOM 2149 O SER B 157 4.748 13.281 5.617 1.00 14.87 O ATOM 2150 CB SER B 157 2.967 15.654 6.703 1.00 15.38 C ATOM 2151 OG SER B 157 4.030 16.564 7.040 1.00 15.90 O ATOM 2152 N SER B 158 5.525 15.230 4.702 1.00 14.13 N ATOM 2153 CA SER B 158 6.951 14.812 4.673 1.00 15.85 C ATOM 2154 C SER B 158 7.690 15.254 5.956 1.00 16.48 C ATOM 2155 O SER B 158 8.883 14.954 6.135 1.00 16.00 O ATOM 2156 CB SER B 158 7.689 15.410 3.455 1.00 16.03 C ATOM 2157 OG SER B 158 7.074 15.000 2.241 1.00 17.53 O ATOM 2158 N GLU B 159 6.994 16.002 6.813 1.00 17.66 N ATOM 2159 CA GLU B 159 7.626 16.732 7.934 1.00 19.29 C ATOM 2160 C GLU B 159 7.110 16.266 9.287 1.00 19.63 C ATOM 2161 O GLU B 159 7.838 16.310 10.302 1.00 19.13 O ATOM 2162 CB GLU B 159 7.305 18.245 7.856 1.00 19.74 C ATOM 2163 CG AGLU B 159 7.451 18.895 6.453 0.50 23.07 C ATOM 2164 CG BGLU B 159 7.986 18.980 6.732 0.50 21.79 C ATOM 2165 CD AGLU B 159 8.856 18.782 5.838 0.50 27.57 C ATOM 2166 CD BGLU B 159 7.714 20.465 6.763 0.50 24.52 C ATOM 2167 OE1AGLU B 159 8.963 18.799 4.584 0.50 28.78 O ATOM 2168 OE1BGLU B 159 7.070 20.943 7.724 0.50 25.93 O ATOM 2169 OE2AGLU B 159 9.851 18.690 6.595 0.50 28.48 O ATOM 2170 OE2BGLU B 159 8.154 21.165 5.825 0.50 27.39 O ATOM 2171 N ASP B 160 5.834 15.917 9.310 1.00 18.02 N ATOM 2172 CA ASP B 160 5.179 15.549 10.555 1.00 19.46 C ATOM 2173 C ASP B 160 4.843 14.051 10.535 1.00 18.61 C ATOM 2174 O ASP B 160 3.791 13.646 10.024 1.00 20.06 O ATOM 2175 CB ASP B 160 3.910 16.389 10.733 1.00 20.04 C ATOM 2176 CG ASP B 160 4.193 17.897 10.712 1.00 23.00 C ATOM 2177 OD1 ASP B 160 5.229 18.310 11.279 1.00 24.00 O ATOM 2178 OD2 ASP B 160 3.374 18.638 10.134 1.00 25.19 O ATOM 2179 N MET B 161 5.744 13.247 11.083 1.00 16.90 N ATOM 2180 CA MET B 161 5.592 11.785 11.176 1.00 16.86 C ATOM 2181 C MET B 161 5.164 11.367 12.580 1.00 16.39 C ATOM 2182 O MET B 161 5.465 12.064 13.561 1.00 15.97 O ATOM 2183 CB MET B 161 6.912 11.086 10.801 1.00 16.83 C ATOM 2184 CG MET B 161 7.404 11.399 9.367 1.00 14.56 C ATOM 2185 SD MET B 161 8.411 12.874 9.332 1.00 18.63 S ATOM 2186 CE MET B 161 9.844 12.246 10.258 1.00 19.21 C ATOM 2187 N ASP B 162 4.475 10.227 12.674 1.00 15.54 N ATOM 2188 CA ASP B 162 3.935 9.763 13.939 1.00 15.31 C ATOM 2189 C ASP B 162 4.126 8.262 14.215 1.00 15.06 C ATOM 2190 O ASP B 162 3.747 7.787 15.285 1.00 15.21 O ATOM 2191 CB ASP B 162 2.444 10.168 14.056 1.00 15.22 C ATOM 2192 CG ASP B 162 1.579 9.609 12.936 1.00 16.64 C ATOM 2193 OD1 ASP B 162 0.371 9.937 12.898 1.00 17.79 O ATOM 2194 OD2 ASP B 162 2.063 8.809 12.101 1.00 13.16 O ATOM 2195 N HIS B 163 4.711 7.514 13.286 1.00 13.89 N ATOM 2196 CA HIS B 163 4.726 6.039 13.392 1.00 14.44 C ATOM 2197 C HIS B 163 6.068 5.438 12.987 1.00 14.51 C ATOM 2198 O HIS B 163 6.603 5.776 11.919 1.00 15.30 O ATOM 2199 CB HIS B 163 3.577 5.500 12.526 1.00 14.21 C ATOM 2200 CG HIS B 163 3.329 4.022 12.639 1.00 14.43 C ATOM 2201 ND1 HIS B 163 3.178 3.369 13.849 1.00 15.01 N ATOM 2202 CD2 HIS B 163 3.106 3.096 11.677 1.00 13.40 C ATOM 2203 CE1 HIS B 163 2.910 2.093 13.622 1.00 16.55 C ATOM 2204 NE2 HIS B 163 2.909 1.894 12.312 1.00 14.45 N ATOM 2205 N GLY B 164 6.612 4.554 13.830 1.00 14.29 N ATOM 2206 CA GLY B 164 7.912 3.928 13.556 1.00 13.62 C ATOM 2207 C GLY B 164 7.728 2.586 12.871 1.00 13.10 C ATOM 2208 O GLY B 164 7.017 1.724 13.403 1.00 14.66 O ATOM 2209 N VAL B 165 8.376 2.387 11.714 1.00 13.06 N ATOM 2210 CA VAL B 165 8.267 1.122 10.940 1.00 13.38 C ATOM 2211 C VAL B 165 9.662 0.781 10.431 1.00 13.74 C ATOM 2212 O VAL B 165 10.643 1.437 10.797 1.00 12.85 O ATOM 2213 CB VAL B 165 7.224 1.219 9.786 1.00 14.55 C ATOM 2214 CG1 VAL B 165 5.804 1.368 10.392 1.00 13.94 C ATOM 2215 CG2 VAL B 165 7.505 2.415 8.886 1.00 13.25 C ATOM 2216 N LEU B 166 9.751 -0.237 9.585 1.00 14.34 N ATOM 2217 CA LEU B 166 11.049 -0.744 9.169 1.00 13.49 C ATOM 2218 C LEU B 166 11.118 -0.947 7.659 1.00 14.18 C ATOM 2219 O LEU B 166 10.296 -1.669 7.081 1.00 14.26 O ATOM 2220 CB LEU B 166 11.323 -2.067 9.887 1.00 13.10 C ATOM 2221 CG LEU B 166 12.694 -2.745 9.653 1.00 13.20 C ATOM 2222 CD1 LEU B 166 13.808 -2.044 10.496 1.00 13.23 C ATOM 2223 CD2 LEU B 166 12.606 -4.229 10.053 1.00 14.57 C ATOM 2224 N VAL B 167 12.094 -0.314 7.010 1.00 13.81 N ATOM 2225 CA VAL B 167 12.268 -0.503 5.565 1.00 14.25 C ATOM 2226 C VAL B 167 13.172 -1.698 5.347 1.00 14.98 C ATOM 2227 O VAL B 167 14.307 -1.685 5.800 1.00 14.67 O ATOM 2228 CB VAL B 167 12.869 0.738 4.868 1.00 14.74 C ATOM 2229 CG1 VAL B 167 13.123 0.438 3.378 1.00 14.44 C ATOM 2230 CG2 VAL B 167 11.927 1.938 5.018 1.00 15.79 C ATOM 2231 N VAL B 168 12.652 -2.746 4.700 1.00 13.40 N ATOM 2232 CA VAL B 168 13.434 -3.963 4.466 1.00 14.35 C ATOM 2233 C VAL B 168 13.896 -4.084 3.021 1.00 14.36 C ATOM 2234 O VAL B 168 14.578 -5.047 2.661 1.00 15.97 O ATOM 2235 CB VAL B 168 12.627 -5.249 4.853 1.00 13.37 C ATOM 2236 CG1 VAL B 168 12.145 -5.181 6.323 1.00 14.44 C ATOM 2237 CG2 VAL B 168 11.461 -5.481 3.884 1.00 14.59 C ATOM 2238 N GLY B 169 13.557 -3.095 2.193 1.00 14.67 N ATOM 2239 CA GLY B 169 13.978 -3.119 0.794 1.00 14.86 C ATOM 2240 C GLY B 169 13.221 -2.070 -0.015 1.00 14.04 C ATOM 2241 O GLY B 169 12.615 -1.133 0.558 1.00 14.59 O ATOM 2242 N TYR B 170 13.333 -2.200 -1.334 1.00 13.94 N ATOM 2243 CA TYR B 170 12.665 -1.319 -2.289 1.00 14.20 C ATOM 2244 C TYR B 170 12.577 -2.019 -3.622 1.00 13.77 C ATOM 2245 O TYR B 170 13.263 -3.026 -3.876 1.00 13.33 O ATOM 2246 CB TYR B 170 13.377 0.060 -2.432 1.00 13.11 C ATOM 2247 CG TYR B 170 14.858 -0.048 -2.833 1.00 13.98 C ATOM 2248 CD1 TYR B 170 15.216 -0.145 -4.175 1.00 12.96 C ATOM 2249 CD2 TYR B 170 15.871 -0.029 -1.862 1.00 14.64 C ATOM 2250 CE1 TYR B 170 16.531 -0.240 -4.559 1.00 14.58 C ATOM 2251 CE2 TYR B 170 17.196 -0.119 -2.239 1.00 13.05 C ATOM 2252 CZ TYR B 170 17.520 -0.222 -3.573 1.00 13.48 C ATOM 2253 OH TYR B 170 18.848 -0.322 -3.965 1.00 15.64 O ATOM 2254 N GLY B 171 11.764 -1.471 -4.510 1.00 14.27 N ATOM 2255 CA GLY B 171 11.617 -2.106 -5.818 1.00 15.18 C ATOM 2256 C GLY B 171 10.715 -1.295 -6.738 1.00 17.59 C ATOM 2257 O GLY B 171 10.547 -0.091 -6.557 1.00 16.29 O ATOM 2258 N PHE B 172 10.144 -1.958 -7.744 1.00 20.32 N ATOM 2259 CA PHE B 172 9.228 -1.273 -8.671 1.00 23.76 C ATOM 2260 C PHE B 172 8.130 -2.233 -9.168 1.00 26.70 C ATOM 2261 O PHE B 172 8.366 -3.451 -9.256 1.00 25.69 O ATOM 2262 CB PHE B 172 10.009 -0.684 -9.844 1.00 23.57 C ATOM 2263 CG PHE B 172 10.810 -1.697 -10.589 1.00 24.06 C ATOM 2264 CD1 PHE B 172 10.316 -2.263 -11.759 1.00 27.70 C ATOM 2265 CD2 PHE B 172 12.067 -2.107 -10.123 1.00 26.51 C ATOM 2266 CE1 PHE B 172 11.068 -3.219 -12.448 1.00 24.28 C ATOM 2267 CE2 PHE B 172 12.813 -3.058 -10.803 1.00 27.61 C ATOM 2268 CZ PHE B 172 12.311 -3.608 -11.967 1.00 26.69 C ATOM 2269 N GLU B 173 6.944 -1.697 -9.465 1.00 29.92 N ATOM 2270 CA GLU B 173 5.832 -2.535 -9.936 1.00 34.13 C ATOM 2271 C GLU B 173 5.962 -2.683 -11.442 1.00 36.57 C ATOM 2272 O GLU B 173 6.069 -1.690 -12.167 1.00 37.65 O ATOM 2273 CB GLU B 173 4.449 -1.949 -9.610 1.00 33.93 C ATOM 2274 CG GLU B 173 4.060 -1.897 -8.132 1.00 37.37 C ATOM 2275 CD GLU B 173 3.450 -3.183 -7.566 1.00 40.99 C ATOM 2276 OE1 GLU B 173 2.205 -3.222 -7.341 1.00 42.58 O ATOM 2277 OE2 GLU B 173 4.224 -4.135 -7.300 1.00 40.92 O ATOM 2278 N SER B 174 5.935 -3.927 -11.903 1.00 39.35 N ATOM 2279 CA SER B 174 5.904 -4.233 -13.334 1.00 42.35 C ATOM 2280 C SER B 174 4.736 -3.528 -14.051 1.00 43.66 C ATOM 2281 O SER B 174 4.878 -3.017 -15.173 1.00 43.96 O ATOM 2282 CB SER B 174 5.817 -5.759 -13.544 1.00 42.20 C ATOM 2283 OG SER B 174 4.970 -6.385 -12.585 1.00 44.38 O ATOM 2284 N THR B 175 3.599 -3.487 -13.367 1.00 45.39 N ATOM 2285 CA THR B 175 2.334 -3.121 -13.979 1.00 47.11 C ATOM 2286 C THR B 175 2.131 -1.618 -14.105 1.00 47.93 C ATOM 2287 O THR B 175 1.651 -1.159 -15.144 1.00 48.97 O ATOM 2288 CB THR B 175 1.149 -3.815 -13.261 1.00 47.42 C ATOM 2289 OG1 THR B 175 1.353 -3.781 -11.836 1.00 47.29 O ATOM 2290 CG2 THR B 175 1.048 -5.287 -13.722 1.00 47.75 C ATOM 2291 N GLU B 176 2.500 -0.862 -13.070 1.00 48.48 N ATOM 2292 CA GLU B 176 2.363 0.596 -13.092 0.50 48.65 C ATOM 2293 C GLU B 176 3.437 1.161 -14.025 1.00 48.96 C ATOM 2294 O GLU B 176 4.405 0.459 -14.363 1.00 49.33 O ATOM 2295 CB AGLU B 176 2.611 1.152 -11.662 0.50 48.92 C ATOM 2296 CB BGLU B 176 2.465 1.189 -11.672 0.50 48.69 C ATOM 2297 CG AGLU B 176 1.450 0.945 -10.689 0.50 49.33 C ATOM 2298 CG BGLU B 176 1.442 2.312 -11.362 0.50 48.41 C ATOM 2299 CD AGLU B 176 1.410 -0.446 -10.089 0.50 49.82 C ATOM 2300 CD BGLU B 176 1.596 2.923 -9.957 0.50 47.66 C ATOM 2301 OE1AGLU B 176 1.627 -0.576 -8.867 0.50 49.90 O ATOM 2302 OE1BGLU B 176 2.640 3.548 -9.690 0.50 46.55 O ATOM 2303 OE2AGLU B 176 1.164 -1.416 -10.834 0.50 50.53 O ATOM 2304 OE2BGLU B 176 0.665 2.799 -9.121 0.50 47.76 O ATOM 2305 N SER B 177 3.264 2.411 -14.474 1.00 48.94 N ATOM 2306 CA SER B 177 4.257 2.991 -15.406 1.00 48.45 C ATOM 2307 C SER B 177 4.334 4.518 -15.522 1.00 47.55 C ATOM 2308 O SER B 177 4.070 5.079 -16.598 1.00 48.43 O ATOM 2309 CB SER B 177 4.185 2.333 -16.799 1.00 48.67 C ATOM 2310 OG SER B 177 2.978 1.618 -16.979 1.00 49.45 O ATOM 2311 N ASP B 178 4.723 5.164 -14.420 1.00 45.71 N ATOM 2312 CA ASP B 178 5.147 6.581 -14.383 1.00 43.58 C ATOM 2313 C ASP B 178 5.859 6.841 -13.046 1.00 41.09 C ATOM 2314 O ASP B 178 7.040 7.207 -13.000 1.00 41.54 O ATOM 2315 CB ASP B 178 3.955 7.547 -14.515 1.00 44.35 C ATOM 2316 CG ASP B 178 3.799 8.125 -15.918 1.00 46.88 C ATOM 2317 OD1 ASP B 178 4.812 8.558 -16.532 1.00 50.18 O ATOM 2318 OD2 ASP B 178 2.644 8.163 -16.405 1.00 48.97 O ATOM 2319 N ASN B 179 5.108 6.675 -11.964 1.00 37.04 N ATOM 2320 CA ASN B 179 5.639 6.745 -10.611 1.00 33.20 C ATOM 2321 C ASN B 179 5.443 5.354 -10.030 1.00 30.18 C ATOM 2322 O ASN B 179 4.513 5.128 -9.263 1.00 30.14 O ATOM 2323 CB ASN B 179 4.861 7.793 -9.790 1.00 33.22 C ATOM 2324 CG ASN B 179 5.141 9.227 -10.237 1.00 33.54 C ATOM 2325 OD1 ASN B 179 6.285 9.707 -10.188 1.00 31.96 O ATOM 2326 ND2 ASN B 179 4.084 9.928 -10.650 1.00 33.31 N ATOM 2327 N ASN B 180 6.299 4.410 -10.408 1.00 26.76 N ATOM 2328 CA ASN B 180 6.042 3.016 -10.062 1.00 23.35 C ATOM 2329 C ASN B 180 7.029 2.384 -9.077 1.00 21.11 C ATOM 2330 O ASN B 180 7.095 1.160 -8.996 1.00 20.26 O ATOM 2331 CB ASN B 180 5.981 2.167 -11.327 1.00 24.49 C ATOM 2332 CG ASN B 180 7.329 2.005 -11.966 1.00 26.14 C ATOM 2333 OD1 ASN B 180 8.252 2.756 -11.675 1.00 26.24 O ATOM 2334 ND2 ASN B 180 7.461 1.004 -12.841 1.00 31.39 N ATOM 2335 N LYS B 181 7.760 3.201 -8.317 1.00 17.95 N ATOM 2336 CA LYS B 181 8.730 2.658 -7.369 1.00 15.65 C ATOM 2337 C LYS B 181 8.156 2.642 -5.968 1.00 15.15 C ATOM 2338 O LYS B 181 7.283 3.452 -5.642 1.00 13.34 O ATOM 2339 CB LYS B 181 10.007 3.494 -7.396 1.00 15.65 C ATOM 2340 CG LYS B 181 10.794 3.387 -8.725 1.00 16.96 C ATOM 2341 CD LYS B 181 11.968 4.304 -8.636 1.00 19.24 C ATOM 2342 CE LYS B 181 12.006 5.307 -9.762 1.00 27.78 C ATOM 2343 NZ LYS B 181 12.713 6.550 -9.258 1.00 28.58 N ATOM 2344 N TYR B 182 8.662 1.731 -5.133 1.00 13.87 N ATOM 2345 CA TYR B 182 8.200 1.669 -3.749 1.00 14.05 C ATOM 2346 C TYR B 182 9.318 1.282 -2.806 1.00 12.97 C ATOM 2347 O TYR B 182 10.320 0.689 -3.214 1.00 12.93 O ATOM 2348 CB TYR B 182 7.055 0.648 -3.597 1.00 14.41 C ATOM 2349 CG TYR B 182 7.375 -0.749 -4.118 1.00 15.26 C ATOM 2350 CD1 TYR B 182 8.078 -1.665 -3.325 1.00 18.82 C ATOM 2351 CD2 TYR B 182 6.931 -1.171 -5.384 1.00 18.29 C ATOM 2352 CE1 TYR B 182 8.376 -2.962 -3.814 1.00 16.19 C ATOM 2353 CE2 TYR B 182 7.234 -2.469 -5.884 1.00 16.65 C ATOM 2354 CZ TYR B 182 7.944 -3.347 -5.083 1.00 19.25 C ATOM 2355 OH TYR B 182 8.248 -4.624 -5.513 1.00 19.23 O ATOM 2356 N TRP B 183 9.086 1.611 -1.536 1.00 13.55 N ATOM 2357 CA TRP B 183 9.836 1.092 -0.393 1.00 13.43 C ATOM 2358 C TRP B 183 9.057 -0.103 0.161 1.00 14.15 C ATOM 2359 O TRP B 183 7.848 -0.013 0.299 1.00 14.39 O ATOM 2360 CB TRP B 183 9.891 2.174 0.705 1.00 13.31 C ATOM 2361 CG TRP B 183 10.636 3.429 0.328 1.00 13.61 C ATOM 2362 CD1 TRP B 183 10.091 4.665 0.052 1.00 12.61 C ATOM 2363 CD2 TRP B 183 12.056 3.574 0.172 1.00 14.81 C ATOM 2364 NE1 TRP B 183 11.091 5.560 -0.273 1.00 13.51 N ATOM 2365 CE2 TRP B 183 12.301 4.918 -0.204 1.00 15.07 C ATOM 2366 CE3 TRP B 183 13.162 2.690 0.318 1.00 13.96 C ATOM 2367 CZ2 TRP B 183 13.593 5.408 -0.426 1.00 14.74 C ATOM 2368 CZ3 TRP B 183 14.433 3.178 0.086 1.00 13.29 C ATOM 2369 CH2 TRP B 183 14.645 4.525 -0.301 1.00 13.23 C ATOM 2370 N LEU B 184 9.740 -1.187 0.521 1.00 14.04 N ATOM 2371 CA LEU B 184 9.090 -2.337 1.152 1.00 13.09 C ATOM 2372 C LEU B 184 9.156 -2.118 2.657 1.00 13.02 C ATOM 2373 O LEU B 184 10.244 -2.093 3.225 1.00 13.74 O ATOM 2374 CB LEU B 184 9.830 -3.615 0.777 1.00 13.36 C ATOM 2375 CG ALEU B 184 9.570 -4.169 -0.615 0.50 11.36 C ATOM 2376 CG BLEU B 184 9.210 -4.957 1.159 0.50 13.42 C ATOM 2377 CD1ALEU B 184 10.640 -5.201 -0.926 0.50 12.03 C ATOM 2378 CD1BLEU B 184 7.870 -5.174 0.477 0.50 16.97 C ATOM 2379 CD2ALEU B 184 8.158 -4.762 -0.743 0.50 7.85 C ATOM 2380 CD2BLEU B 184 10.187 -6.018 0.716 0.50 14.56 C ATOM 2381 N VAL B 185 7.994 -1.958 3.296 1.00 12.68 N ATOM 2382 CA VAL B 185 7.937 -1.534 4.683 1.00 13.39 C ATOM 2383 C VAL B 185 7.215 -2.603 5.525 1.00 13.58 C ATOM 2384 O VAL B 185 6.073 -2.986 5.229 1.00 14.48 O ATOM 2385 CB VAL B 185 7.231 -0.153 4.802 1.00 13.40 C ATOM 2386 CG1 VAL B 185 7.026 0.225 6.259 1.00 15.52 C ATOM 2387 CG2 VAL B 185 8.092 0.904 4.075 1.00 15.46 C ATOM 2388 N LYS B 186 7.910 -3.065 6.566 1.00 12.23 N ATOM 2389 CA LYS B 186 7.353 -3.964 7.568 1.00 12.54 C ATOM 2390 C LYS B 186 6.638 -3.131 8.631 1.00 13.42 C ATOM 2391 O LYS B 186 7.261 -2.268 9.291 1.00 14.19 O ATOM 2392 CB LYS B 186 8.491 -4.770 8.222 1.00 11.57 C ATOM 2393 CG LYS B 186 7.971 -5.905 9.151 1.00 12.63 C ATOM 2394 CD LYS B 186 9.130 -6.494 9.971 1.00 13.48 C ATOM 2395 CE LYS B 186 8.738 -7.850 10.636 1.00 14.31 C ATOM 2396 NZ LYS B 186 9.834 -8.286 11.665 1.00 12.85 N ATOM 2397 N ASN B 187 5.344 -3.387 8.812 1.00 13.23 N ATOM 2398 CA ASN B 187 4.542 -2.725 9.872 1.00 13.23 C ATOM 2399 C ASN B 187 4.462 -3.675 11.090 1.00 13.16 C ATOM 2400 O ASN B 187 4.998 -4.779 11.059 1.00 14.38 O ATOM 2401 CB ASN B 187 3.141 -2.386 9.328 1.00 12.05 C ATOM 2402 CG ASN B 187 2.442 -1.277 10.076 1.00 13.15 C ATOM 2403 OD1 ASN B 187 2.933 -0.755 11.106 1.00 15.76 O ATOM 2404 ND2 ASN B 187 1.208 -0.939 9.601 1.00 15.53 N ATOM 2405 N SER B 188 3.871 -3.195 12.183 1.00 13.57 N ATOM 2406 CA SER B 188 3.691 -4.030 13.359 1.00 13.09 C ATOM 2407 C SER B 188 2.212 -4.148 13.746 1.00 13.39 C ATOM 2408 O SER B 188 1.873 -4.063 14.934 1.00 13.06 O ATOM 2409 CB SER B 188 4.518 -3.453 14.529 1.00 13.96 C ATOM 2410 OG SER B 188 4.313 -2.049 14.702 1.00 14.79 O ATOM 2411 N TRP B 189 1.342 -4.341 12.744 1.00 13.04 N ATOM 2412 CA TRP B 189 -0.096 -4.475 12.970 1.00 13.42 C ATOM 2413 C TRP B 189 -0.607 -5.896 12.664 1.00 13.72 C ATOM 2414 O TRP B 189 -1.811 -6.103 12.403 1.00 13.91 O ATOM 2415 CB TRP B 189 -0.888 -3.438 12.135 1.00 13.95 C ATOM 2416 CG TRP B 189 -0.661 -1.980 12.527 1.00 13.18 C ATOM 2417 CD1 TRP B 189 0.037 -1.505 13.612 1.00 14.53 C ATOM 2418 CD2 TRP B 189 -1.150 -0.831 11.827 1.00 12.57 C ATOM 2419 NE1 TRP B 189 0.007 -0.133 13.622 1.00 12.96 N ATOM 2420 CE2 TRP B 189 -0.718 0.310 12.549 1.00 15.80 C ATOM 2421 CE3 TRP B 189 -1.952 -0.654 10.674 1.00 12.25 C ATOM 2422 CZ2 TRP B 189 -1.029 1.620 12.150 1.00 13.42 C ATOM 2423 CZ3 TRP B 189 -2.256 0.640 10.262 1.00 12.69 C ATOM 2424 CH2 TRP B 189 -1.792 1.766 11.003 1.00 15.99 C ATOM 2425 N GLY B 190 0.307 -6.871 12.738 1.00 13.54 N ATOM 2426 CA GLY B 190 -0.006 -8.263 12.377 1.00 13.84 C ATOM 2427 C GLY B 190 -0.025 -8.543 10.881 1.00 13.49 C ATOM 2428 O GLY B 190 -0.032 -7.616 10.061 1.00 14.28 O ATOM 2429 N GLU B 191 -0.052 -9.833 10.538 1.00 13.46 N ATOM 2430 CA GLU B 191 -0.045 -10.279 9.142 1.00 14.30 C ATOM 2431 C GLU B 191 -1.328 -9.966 8.378 1.00 14.73 C ATOM 2432 O GLU B 191 -1.329 -9.908 7.147 1.00 16.37 O ATOM 2433 CB GLU B 191 0.205 -11.784 9.119 1.00 14.18 C ATOM 2434 CG AGLU B 191 1.677 -12.126 9.340 0.50 13.45 C ATOM 2435 CG BGLU B 191 0.548 -12.391 7.771 0.50 15.77 C ATOM 2436 CD AGLU B 191 2.016 -13.587 9.099 0.50 14.19 C ATOM 2437 CD BGLU B 191 0.829 -13.869 7.910 0.50 17.48 C ATOM 2438 OE1AGLU B 191 3.172 -13.983 9.396 0.50 11.66 O ATOM 2439 OE1BGLU B 191 -0.039 -14.597 8.448 0.50 19.22 O ATOM 2440 OE2AGLU B 191 1.147 -14.344 8.630 0.50 14.69 O ATOM 2441 OE2BGLU B 191 1.917 -14.302 7.510 0.50 19.78 O ATOM 2442 N GLU B 192 -2.414 -9.752 9.114 1.00 14.54 N ATOM 2443 CA GLU B 192 -3.710 -9.506 8.516 1.00 14.11 C ATOM 2444 C GLU B 192 -3.884 -8.102 7.928 1.00 13.90 C ATOM 2445 O GLU B 192 -4.898 -7.830 7.314 1.00 13.95 O ATOM 2446 CB GLU B 192 -4.839 -9.745 9.540 1.00 15.23 C ATOM 2447 CG GLU B 192 -4.856 -11.173 10.162 1.00 14.34 C ATOM 2448 CD GLU B 192 -3.890 -11.360 11.345 1.00 21.88 C ATOM 2449 OE1 GLU B 192 -3.805 -12.539 11.818 1.00 19.74 O ATOM 2450 OE2 GLU B 192 -3.233 -10.375 11.804 1.00 18.13 O ATOM 2451 N TRP B 193 -2.939 -7.206 8.177 1.00 13.15 N ATOM 2452 CA TRP B 193 -2.996 -5.853 7.615 1.00 13.27 C ATOM 2453 C TRP B 193 -2.119 -5.814 6.354 1.00 13.28 C ATOM 2454 O TRP B 193 -1.042 -6.418 6.349 1.00 13.30 O ATOM 2455 CB TRP B 193 -2.424 -4.860 8.641 1.00 13.18 C ATOM 2456 CG TRP B 193 -2.397 -3.459 8.108 1.00 12.94 C ATOM 2457 CD1 TRP B 193 -3.441 -2.578 8.103 1.00 12.82 C ATOM 2458 CD2 TRP B 193 -1.295 -2.789 7.495 1.00 14.67 C ATOM 2459 NE1 TRP B 193 -3.052 -1.379 7.527 1.00 13.85 N ATOM 2460 CE2 TRP B 193 -1.737 -1.487 7.147 1.00 12.37 C ATOM 2461 CE3 TRP B 193 0.025 -3.163 7.200 1.00 14.08 C ATOM 2462 CZ2 TRP B 193 -0.908 -0.547 6.494 1.00 12.28 C ATOM 2463 CZ3 TRP B 193 0.877 -2.211 6.547 1.00 13.71 C ATOM 2464 CH2 TRP B 193 0.397 -0.915 6.228 1.00 15.28 C ATOM 2465 N GLY B 194 -2.529 -5.094 5.304 1.00 13.14 N ATOM 2466 CA GLY B 194 -1.639 -4.941 4.154 1.00 13.50 C ATOM 2467 C GLY B 194 -1.307 -6.242 3.432 1.00 12.81 C ATOM 2468 O GLY B 194 -2.123 -7.152 3.345 1.00 13.75 O ATOM 2469 N MET B 195 -0.077 -6.323 2.929 1.00 12.67 N ATOM 2470 CA MET B 195 0.371 -7.479 2.153 1.00 12.53 C ATOM 2471 C MET B 195 1.099 -8.406 3.103 1.00 12.78 C ATOM 2472 O MET B 195 2.313 -8.300 3.267 1.00 12.13 O ATOM 2473 CB MET B 195 1.295 -7.010 1.001 1.00 12.68 C ATOM 2474 CG MET B 195 0.548 -6.035 0.064 1.00 15.09 C ATOM 2475 SD MET B 195 1.318 -5.685 -1.511 1.00 17.98 S ATOM 2476 CE MET B 195 1.040 -7.273 -2.253 1.00 20.91 C ATOM 2477 N GLY B 196 0.366 -9.282 3.783 1.00 12.37 N ATOM 2478 CA GLY B 196 0.999 -10.084 4.842 1.00 13.31 C ATOM 2479 C GLY B 196 1.712 -9.267 5.900 1.00 13.55 C ATOM 2480 O GLY B 196 2.736 -9.710 6.455 1.00 14.02 O ATOM 2481 N GLY B 197 1.201 -8.072 6.196 1.00 12.71 N ATOM 2482 CA GLY B 197 1.830 -7.246 7.228 1.00 13.72 C ATOM 2483 C GLY B 197 2.714 -6.128 6.700 1.00 13.63 C ATOM 2484 O GLY B 197 3.174 -5.301 7.486 1.00 13.82 O ATOM 2485 N TYR B 198 2.933 -6.115 5.374 1.00 13.35 N ATOM 2486 CA TYR B 198 3.822 -5.151 4.688 1.00 13.78 C ATOM 2487 C TYR B 198 3.049 -4.138 3.871 1.00 14.15 C ATOM 2488 O TYR B 198 1.917 -4.405 3.456 1.00 15.20 O ATOM 2489 CB TYR B 198 4.789 -5.899 3.720 1.00 13.31 C ATOM 2490 CG TYR B 198 5.894 -6.587 4.485 1.00 13.78 C ATOM 2491 CD1 TYR B 198 5.653 -7.762 5.185 1.00 13.26 C ATOM 2492 CD2 TYR B 198 7.157 -5.997 4.590 1.00 14.37 C ATOM 2493 CE1 TYR B 198 6.682 -8.379 5.925 1.00 16.62 C ATOM 2494 CE2 TYR B 198 8.176 -6.586 5.337 1.00 15.10 C ATOM 2495 CZ TYR B 198 7.930 -7.760 6.013 1.00 15.88 C ATOM 2496 OH TYR B 198 8.948 -8.327 6.758 1.00 15.93 O ATOM 2497 N VAL B 199 3.685 -3.004 3.602 1.00 13.95 N ATOM 2498 CA VAL B 199 3.119 -1.990 2.669 1.00 13.60 C ATOM 2499 C VAL B 199 4.200 -1.562 1.711 1.00 13.86 C ATOM 2500 O VAL B 199 5.359 -1.409 2.111 1.00 13.77 O ATOM 2501 CB VAL B 199 2.493 -0.758 3.405 1.00 13.67 C ATOM 2502 CG1 VAL B 199 3.470 -0.177 4.473 1.00 14.80 C ATOM 2503 CG2 VAL B 199 1.993 0.345 2.390 1.00 13.38 C ATOM 2504 N LYS B 200 3.833 -1.458 0.435 1.00 12.72 N ATOM 2505 CA LYS B 200 4.695 -0.855 -0.580 1.00 13.69 C ATOM 2506 C LYS B 200 4.463 0.658 -0.565 1.00 14.31 C ATOM 2507 O LYS B 200 3.481 1.145 -1.133 1.00 16.32 O ATOM 2508 CB LYS B 200 4.329 -1.449 -1.955 1.00 13.90 C ATOM 2509 CG LYS B 200 4.647 -2.947 -2.086 1.00 15.51 C ATOM 2510 CD LYS B 200 4.241 -3.480 -3.478 1.00 15.22 C ATOM 2511 CE LYS B 200 4.554 -4.949 -3.610 1.00 19.85 C ATOM 2512 NZ LYS B 200 3.892 -5.525 -4.853 1.00 20.89 N ATOM 2513 N MET B 201 5.348 1.408 0.084 1.00 13.65 N ATOM 2514 CA MET B 201 5.120 2.857 0.203 1.00 14.32 C ATOM 2515 C MET B 201 5.727 3.570 -0.990 1.00 13.91 C ATOM 2516 O MET B 201 6.828 3.246 -1.387 1.00 13.81 O ATOM 2517 CB AMET B 201 5.652 3.378 1.516 0.50 15.25 C ATOM 2518 CB BMET B 201 5.845 3.402 1.450 0.50 14.23 C ATOM 2519 CG AMET B 201 4.874 2.769 2.656 0.50 16.88 C ATOM 2520 CG BMET B 201 5.343 2.926 2.825 0.50 13.53 C ATOM 2521 SD AMET B 201 5.131 3.595 4.187 0.50 21.99 S ATOM 2522 SD BMET B 201 3.725 3.581 3.220 0.50 10.88 S ATOM 2523 CE AMET B 201 4.421 5.210 3.846 0.50 19.65 C ATOM 2524 CE BMET B 201 4.117 5.269 3.665 0.50 11.97 C ATOM 2525 N ALA B 202 5.027 4.564 -1.526 1.00 13.81 N ATOM 2526 CA ALA B 202 5.539 5.255 -2.701 1.00 13.44 C ATOM 2527 C ALA B 202 6.965 5.791 -2.462 1.00 14.07 C ATOM 2528 O ALA B 202 7.247 6.451 -1.440 1.00 14.50 O ATOM 2529 CB ALA B 202 4.596 6.381 -3.143 1.00 13.61 C ATOM 2530 N LYS B 203 7.837 5.478 -3.421 1.00 13.83 N ATOM 2531 CA LYS B 203 9.242 5.858 -3.386 1.00 13.47 C ATOM 2532 C LYS B 203 9.566 6.858 -4.505 1.00 13.78 C ATOM 2533 O LYS B 203 9.036 6.751 -5.611 1.00 13.56 O ATOM 2534 CB LYS B 203 10.112 4.575 -3.516 1.00 14.23 C ATOM 2535 CG LYS B 203 11.617 4.827 -3.628 1.00 14.61 C ATOM 2536 CD LYS B 203 12.414 3.487 -3.547 1.00 13.42 C ATOM 2537 CE LYS B 203 13.934 3.720 -3.761 1.00 12.22 C ATOM 2538 NZ LYS B 203 14.240 3.917 -5.212 1.00 14.72 N ATOM 2539 N ASP B 204 10.441 7.830 -4.208 1.00 13.16 N ATOM 2540 CA ASP B 204 10.830 8.861 -5.166 1.00 14.04 C ATOM 2541 C ASP B 204 9.612 9.658 -5.644 1.00 14.49 C ATOM 2542 O ASP B 204 9.515 10.109 -6.808 1.00 15.38 O ATOM 2543 CB ASP B 204 11.715 8.273 -6.282 1.00 14.90 C ATOM 2544 CG ASP B 204 12.994 7.554 -5.702 1.00 18.07 C ATOM 2545 OD1 ASP B 204 13.598 8.052 -4.710 1.00 18.01 O ATOM 2546 OD2 ASP B 204 13.418 6.504 -6.249 1.00 19.85 O ATOM 2547 N ARG B 205 8.715 9.882 -4.698 1.00 14.38 N ATOM 2548 CA ARG B 205 7.579 10.776 -4.881 1.00 14.74 C ATOM 2549 C ARG B 205 7.677 11.880 -3.802 1.00 14.74 C ATOM 2550 O ARG B 205 6.760 12.083 -2.993 1.00 15.94 O ATOM 2551 CB ARG B 205 6.266 10.009 -4.819 1.00 15.36 C ATOM 2552 CG ARG B 205 6.102 9.009 -6.008 1.00 16.08 C ATOM 2553 CD ARG B 205 4.654 8.620 -6.245 1.00 18.66 C ATOM 2554 NE ARG B 205 3.915 9.757 -6.833 1.00 19.87 N ATOM 2555 CZ ARG B 205 2.659 9.692 -7.258 1.00 22.38 C ATOM 2556 NH1 ARG B 205 1.969 8.547 -7.187 1.00 20.00 N ATOM 2557 NH2 ARG B 205 2.090 10.791 -7.738 1.00 23.00 N ATOM 2558 N ARG B 206 8.827 12.572 -3.828 1.00 14.66 N ATOM 2559 CA ARG B 206 9.092 13.727 -2.941 1.00 13.82 C ATOM 2560 C ARG B 206 9.016 13.381 -1.457 1.00 14.60 C ATOM 2561 O ARG B 206 8.339 14.080 -0.664 1.00 13.71 O ATOM 2562 CB ARG B 206 8.177 14.919 -3.306 1.00 13.38 C ATOM 2563 CG ARG B 206 8.744 16.335 -2.921 1.00 14.34 C ATOM 2564 CD ARG B 206 7.692 17.471 -3.175 1.00 13.58 C ATOM 2565 NE ARG B 206 6.627 17.359 -2.179 1.00 14.74 N ATOM 2566 CZ ARG B 206 5.357 17.688 -2.384 1.00 14.38 C ATOM 2567 NH1 ARG B 206 4.959 18.223 -3.544 1.00 11.92 N ATOM 2568 NH2 ARG B 206 4.482 17.472 -1.413 1.00 14.79 N ATOM 2569 N ASN B 207 9.727 12.310 -1.082 1.00 13.35 N ATOM 2570 CA ASN B 207 9.809 11.894 0.338 1.00 13.35 C ATOM 2571 C ASN B 207 8.386 11.731 0.896 1.00 12.99 C ATOM 2572 O ASN B 207 8.009 12.346 1.915 1.00 12.76 O ATOM 2573 CB ASN B 207 10.615 12.931 1.149 1.00 13.88 C ATOM 2574 CG ASN B 207 10.912 12.470 2.562 1.00 14.85 C ATOM 2575 OD1 ASN B 207 10.800 11.279 2.879 1.00 14.72 O ATOM 2576 ND2 ASN B 207 11.239 13.424 3.441 1.00 15.34 N ATOM 2577 N HIS B 208 7.622 10.852 0.246 1.00 13.02 N ATOM 2578 CA AHIS B 208 6.208 10.691 0.548 1.00 13.44 C ATOM 2579 C HIS B 208 6.031 10.163 1.993 1.00 13.40 C ATOM 2580 O HIS B 208 6.710 9.199 2.418 1.00 14.50 O ATOM 2581 CB AHIS B 208 5.578 9.712 -0.445 1.00 14.25 C ATOM 2582 CG AHIS B 208 4.082 9.697 -0.376 1.00 16.29 C ATOM 2583 ND1AHIS B 208 3.329 10.822 -0.635 1.00 19.36 N ATOM 2584 CD2AHIS B 208 3.211 8.726 -0.038 1.00 17.67 C ATOM 2585 CE1AHIS B 208 2.052 10.541 -0.457 1.00 18.21 C ATOM 2586 NE2AHIS B 208 1.958 9.280 -0.085 1.00 15.84 N ATOM 2587 N CYS B 209 5.144 10.811 2.756 1.00 14.49 N ATOM 2588 CA CYS B 209 4.892 10.428 4.163 1.00 14.91 C ATOM 2589 C CYS B 209 6.130 10.567 5.078 1.00 14.99 C ATOM 2590 O CYS B 209 6.108 10.145 6.230 1.00 15.10 O ATOM 2591 CB CYS B 209 4.295 9.018 4.268 1.00 15.84 C ATOM 2592 SG CYS B 209 2.664 8.873 3.430 1.00 17.17 S ATOM 2593 N GLY B 210 7.175 11.228 4.593 1.00 13.84 N ATOM 2594 CA GLY B 210 8.324 11.586 5.463 1.00 13.90 C ATOM 2595 C GLY B 210 9.228 10.417 5.735 1.00 13.90 C ATOM 2596 O GLY B 210 9.979 10.424 6.719 1.00 14.41 O ATOM 2597 N ILE B 211 9.159 9.402 4.878 1.00 12.71 N ATOM 2598 CA ILE B 211 9.877 8.148 5.146 1.00 13.31 C ATOM 2599 C ILE B 211 11.411 8.341 5.298 1.00 14.32 C ATOM 2600 O ILE B 211 12.077 7.589 6.012 1.00 14.19 O ATOM 2601 CB ILE B 211 9.501 7.069 4.081 1.00 13.92 C ATOM 2602 CG1 ILE B 211 9.945 5.667 4.529 1.00 14.56 C ATOM 2603 CG2 ILE B 211 10.028 7.456 2.702 1.00 14.07 C ATOM 2604 CD1 ILE B 211 9.288 4.592 3.697 1.00 15.28 C ATOM 2605 N ALA B 212 11.967 9.345 4.617 1.00 13.69 N ATOM 2606 CA ALA B 212 13.415 9.598 4.716 1.00 14.24 C ATOM 2607 C ALA B 212 13.793 10.671 5.725 1.00 14.09 C ATOM 2608 O ALA B 212 14.976 11.011 5.856 1.00 14.26 O ATOM 2609 CB ALA B 212 14.026 9.938 3.311 1.00 13.67 C ATOM 2610 N SER B 213 12.804 11.195 6.446 1.00 13.57 N ATOM 2611 CA SER B 213 13.019 12.327 7.363 1.00 13.52 C ATOM 2612 C SER B 213 13.590 12.041 8.772 1.00 14.05 C ATOM 2613 O SER B 213 14.127 12.977 9.416 1.00 14.16 O ATOM 2614 CB SER B 213 11.718 13.117 7.524 1.00 13.95 C ATOM 2615 OG SER B 213 11.395 13.821 6.339 1.00 18.28 O ATOM 2616 N ALA B 214 13.489 10.793 9.240 1.00 13.69 N ATOM 2617 CA ALA B 214 13.986 10.431 10.582 1.00 13.82 C ATOM 2618 C ALA B 214 14.396 8.955 10.599 1.00 14.08 C ATOM 2619 O ALA B 214 13.934 8.166 11.428 1.00 15.84 O ATOM 2620 CB ALA B 214 12.913 10.721 11.592 1.00 14.97 C ATOM 2621 N ALA B 215 15.275 8.588 9.667 1.00 13.23 N ATOM 2622 CA ALA B 215 15.669 7.182 9.489 1.00 14.02 C ATOM 2623 C ALA B 215 17.000 6.937 10.197 1.00 14.17 C ATOM 2624 O ALA B 215 17.854 7.842 10.259 1.00 15.02 O ATOM 2625 CB ALA B 215 15.824 6.872 8.006 1.00 13.50 C ATOM 2626 N SER B 216 17.173 5.732 10.749 1.00 14.54 N ATOM 2627 CA SER B 216 18.401 5.415 11.467 1.00 14.44 C ATOM 2628 C SER B 216 18.578 3.904 11.601 1.00 15.02 C ATOM 2629 O SER B 216 17.655 3.106 11.309 1.00 14.22 O ATOM 2630 CB SER B 216 18.406 6.085 12.856 1.00 14.27 C ATOM 2631 OG SER B 216 17.428 5.496 13.701 1.00 15.44 O ATOM 2632 N TYR B 217 19.766 3.514 12.055 1.00 14.10 N ATOM 2633 CA TYR B 217 20.015 2.111 12.390 1.00 15.51 C ATOM 2634 C TYR B 217 21.033 1.984 13.534 1.00 14.86 C ATOM 2635 O TYR B 217 21.857 2.908 13.723 1.00 15.52 O ATOM 2636 CB TYR B 217 20.477 1.339 11.157 1.00 14.71 C ATOM 2637 CG TYR B 217 21.812 1.825 10.574 1.00 16.84 C ATOM 2638 CD1 TYR B 217 23.026 1.233 10.961 1.00 18.37 C ATOM 2639 CD2 TYR B 217 21.852 2.884 9.660 1.00 18.77 C ATOM 2640 CE1 TYR B 217 24.244 1.665 10.410 1.00 19.47 C ATOM 2641 CE2 TYR B 217 23.071 3.320 9.109 1.00 19.86 C ATOM 2642 CZ TYR B 217 24.247 2.724 9.503 1.00 21.63 C ATOM 2643 OH TYR B 217 25.446 3.159 8.961 1.00 24.71 O ATOM 2644 N PRO B 218 21.014 0.844 14.287 1.00 15.08 N ATOM 2645 CA PRO B 218 21.978 0.662 15.393 1.00 14.04 C ATOM 2646 C PRO B 218 23.319 0.143 14.852 1.00 15.39 C ATOM 2647 O PRO B 218 23.340 -0.581 13.850 1.00 14.66 O ATOM 2648 CB PRO B 218 21.296 -0.419 16.268 1.00 14.81 C ATOM 2649 CG PRO B 218 20.563 -1.314 15.207 1.00 13.09 C ATOM 2650 CD PRO B 218 20.126 -0.336 14.114 1.00 15.73 C ATOM 2651 N THR B 219 24.425 0.564 15.452 1.00 15.72 N ATOM 2652 CA THR B 219 25.734 -0.016 15.094 1.00 17.32 C ATOM 2653 C THR B 219 26.052 -1.178 16.042 1.00 18.06 C ATOM 2654 O THR B 219 25.785 -1.085 17.224 1.00 18.57 O ATOM 2655 CB THR B 219 26.844 1.048 15.132 1.00 17.87 C ATOM 2656 OG1 THR B 219 26.852 1.652 16.414 1.00 21.00 O ATOM 2657 CG2 THR B 219 26.584 2.161 14.119 1.00 15.30 C ATOM 2658 N VAL B 220 26.561 -2.297 15.520 1.00 19.77 N ATOM 2659 CA VAL B 220 26.819 -3.465 16.389 1.00 21.76 C ATOM 2660 C VAL B 220 28.277 -3.943 16.336 1.00 23.11 C ATOM 2661 O VAL B 220 28.771 -4.689 17.193 1.00 24.12 O ATOM 2662 CB VAL B 220 25.851 -4.639 16.105 1.00 22.06 C ATOM 2663 CG1 VAL B 220 24.394 -4.202 16.218 1.00 23.45 C ATOM 2664 CG2 VAL B 220 26.145 -5.237 14.728 1.00 23.83 C ATOM 2665 OXT VAL B 220 29.011 -3.556 15.436 1.00 23.88 O TER 2666 VAL B 220 HETATM 2667 C1 NAG C 1 27.743 -7.207 24.761 0.50 27.22 C HETATM 2668 C2 NAG C 1 27.772 -8.691 25.158 0.50 27.92 C HETATM 2669 C3 NAG C 1 28.390 -8.965 26.528 0.50 28.93 C HETATM 2670 C4 NAG C 1 29.626 -8.116 26.761 0.50 30.16 C HETATM 2671 C5 NAG C 1 29.204 -6.639 26.722 0.50 30.69 C HETATM 2672 C6 NAG C 1 30.396 -5.685 26.579 0.50 31.49 C HETATM 2673 C7 NAG C 1 26.043 -10.091 24.150 0.50 27.54 C HETATM 2674 C8 NAG C 1 24.614 -10.542 24.222 0.50 27.78 C HETATM 2675 N2 NAG C 1 26.442 -9.265 25.110 0.50 27.30 N HETATM 2676 O3 NAG C 1 28.713 -10.333 26.618 0.50 29.23 O HETATM 2677 O4 NAG C 1 30.143 -8.433 28.044 0.50 32.16 O HETATM 2678 O5 NAG C 1 28.145 -6.306 25.793 0.50 29.81 O HETATM 2679 O6 NAG C 1 31.390 -6.186 25.707 0.50 32.38 O HETATM 2680 O7 NAG C 1 26.774 -10.484 23.234 0.50 28.05 O HETATM 2681 C1 NAG C 2 31.555 -8.714 28.041 0.50 32.79 C HETATM 2682 C2 NAG C 2 32.032 -8.718 29.495 0.50 32.52 C HETATM 2683 C3 NAG C 2 33.458 -9.230 29.700 0.50 33.54 C HETATM 2684 C4 NAG C 2 33.878 -10.345 28.740 0.50 33.98 C HETATM 2685 C5 NAG C 2 33.277 -10.136 27.347 0.50 34.60 C HETATM 2686 C6 NAG C 2 33.554 -11.297 26.399 0.50 35.13 C HETATM 2687 C7 NAG C 2 30.831 -6.958 30.705 0.50 32.63 C HETATM 2688 C8 NAG C 2 29.801 -7.962 31.142 0.50 31.26 C HETATM 2689 N2 NAG C 2 31.930 -7.395 30.081 0.50 32.86 N HETATM 2690 O3 NAG C 2 33.547 -9.681 31.035 0.50 33.01 O HETATM 2691 O4 NAG C 2 35.288 -10.374 28.665 0.50 34.82 O HETATM 2692 O5 NAG C 2 31.877 -9.960 27.468 0.50 33.70 O HETATM 2693 O6 NAG C 2 32.758 -12.397 26.780 0.50 36.66 O HETATM 2694 O7 NAG C 2 30.652 -5.761 30.920 0.50 34.59 O HETATM 2695 NA NA A 565 5.380 15.141 16.388 1.00 27.35 NA HETATM 2696 CL CL B1001 -0.352 8.589 24.311 1.00 44.15 CL HETATM 2697 O HOH A 566 -15.455 14.400 7.088 1.00 22.85 O HETATM 2698 O HOH A 567 -11.730 -1.039 21.518 1.00 20.16 O HETATM 2699 O HOH A 568 -3.082 5.842 22.547 1.00 19.08 O HETATM 2700 O HOH A 569 2.628 3.340 17.195 1.00 23.37 O HETATM 2701 O HOH A 570 5.550 4.364 17.692 1.00 18.15 O HETATM 2702 O HOH A 571 13.895 13.223 26.483 1.00 38.21 O HETATM 2703 O HOH A 572 -33.375 6.525 18.752 1.00 19.00 O HETATM 2704 O HOH A 573 -32.827 9.791 24.893 1.00 27.43 O HETATM 2705 O HOH A 574 -38.096 11.916 18.960 1.00 14.91 O HETATM 2706 O HOH A 575 -40.716 13.361 21.963 1.00 40.48 O HETATM 2707 O HOH A 576 -38.227 14.620 19.086 1.00 19.45 O HETATM 2708 O HOH A 577 -40.801 15.547 18.831 1.00 28.50 O HETATM 2709 O HOH A 578 13.133 12.370 16.011 1.00 19.98 O HETATM 2710 O HOH A 579 11.821 13.811 17.983 1.00 21.95 O HETATM 2711 O HOH A 580 -0.626 10.690 15.292 1.00 20.98 O HETATM 2712 O HOH A 581 7.634 18.336 18.524 1.00 50.19 O HETATM 2713 O HOH A 582 8.983 11.945 16.359 1.00 23.04 O HETATM 2714 O HOH A 583 3.300 11.287 17.847 1.00 24.02 O HETATM 2715 O HOH A 584 1.171 9.714 17.298 1.00 20.66 O HETATM 2716 O HOH A 585 7.379 16.182 16.103 1.00 37.30 O HETATM 2717 O HOH A 586 2.804 13.924 16.637 1.00 27.54 O HETATM 2718 O HOH A 587 -39.298 13.695 12.243 1.00 25.13 O HETATM 2719 O HOH A 588 -31.727 7.225 15.364 1.00 22.83 O HETATM 2720 O HOH A 589 -31.919 9.174 12.962 1.00 16.01 O HETATM 2721 O HOH A 590 -25.211 5.840 14.815 1.00 18.45 O HETATM 2722 O HOH A 591 -20.225 -2.722 16.791 1.00 44.05 O HETATM 2723 O HOH A 592 -18.883 -1.573 14.640 1.00 32.93 O HETATM 2724 O HOH A 593 2.034 14.311 23.686 1.00 44.56 O HETATM 2725 O HOH A 594 -9.930 5.265 22.287 1.00 18.86 O HETATM 2726 O HOH A 595 -5.324 9.814 22.761 1.00 23.46 O HETATM 2727 O HOH A 596 -5.398 7.122 22.261 1.00 28.75 O HETATM 2728 O HOH A 597 -5.654 -6.835 14.278 1.00 19.38 O HETATM 2729 O HOH A 598 -10.486 -4.324 16.410 1.00 20.07 O HETATM 2730 O HOH A 599 -12.089 -3.333 18.836 1.00 26.21 O HETATM 2731 O HOH A 600 -5.355 2.682 20.164 1.00 17.03 O HETATM 2732 O HOH A 601 -34.939 11.117 24.657 1.00 26.41 O HETATM 2733 O HOH A 602 13.943 12.587 28.936 1.00 45.40 O HETATM 2734 O HOH A 603 -25.639 9.476 30.615 1.00 44.37 O HETATM 2735 O HOH A 604 -24.601 7.275 30.713 1.00 38.29 O HETATM 2736 O HOH A 605 -28.708 4.246 26.002 1.00 48.03 O HETATM 2737 O HOH A 606 -37.052 9.749 22.426 1.00 21.21 O HETATM 2738 O HOH A 607 -29.459 9.466 27.782 1.00 22.06 O HETATM 2739 O HOH A 608 -31.443 5.813 25.960 1.00 31.82 O HETATM 2740 O HOH A 609 -9.619 -7.825 6.517 1.00 20.42 O HETATM 2741 O HOH A 610 -10.270 -1.840 6.711 1.00 17.09 O HETATM 2742 O HOH A 611 -5.182 19.322 9.883 1.00 55.64 O HETATM 2743 O HOH A 612 -14.112 18.396 10.247 1.00 48.74 O HETATM 2744 O HOH A 613 -15.078 -1.805 6.672 1.00 29.37 O HETATM 2745 O HOH A 614 -20.002 19.339 27.312 1.00 22.50 O HETATM 2746 O HOH A 615 -13.212 11.959 25.155 1.00 24.49 O HETATM 2747 O HOH A 616 -27.828 5.798 27.982 1.00 39.25 O HETATM 2748 O HOH A 617 -19.944 21.334 10.339 1.00 53.23 O HETATM 2749 O HOH A 618 -7.430 6.754 14.644 1.00 14.62 O HETATM 2750 O HOH A 619 -35.365 12.263 11.806 1.00 13.88 O HETATM 2751 O HOH A 620 -10.041 10.234 11.411 1.00 23.91 O HETATM 2752 O HOH A 621 -8.587 13.475 9.400 1.00 24.15 O HETATM 2753 O HOH A 622 -14.814 -2.369 9.321 1.00 22.51 O HETATM 2754 O HOH A 623 -10.138 -5.595 4.987 1.00 19.17 O HETATM 2755 O HOH A 624 -21.811 2.318 20.177 1.00 33.88 O HETATM 2756 O HOH A 625 -20.069 1.064 15.544 1.00 23.13 O HETATM 2757 O HOH A 626 7.639 14.942 23.620 1.00 24.40 O HETATM 2758 O HOH A 627 -35.205 13.958 7.368 1.00 23.05 O HETATM 2759 O HOH A 628 -7.388 -8.942 11.656 1.00 23.52 O HETATM 2760 O HOH A 629 -18.923 -2.776 12.305 1.00 25.90 O HETATM 2761 O HOH A 630 -32.395 19.506 5.440 1.00 53.78 O HETATM 2762 O HOH A 631 -23.562 2.444 9.792 1.00 30.69 O HETATM 2763 O HOH A 632 -13.253 -6.024 8.849 1.00 24.20 O HETATM 2764 O HOH A 633 -30.202 7.615 11.590 1.00 23.14 O HETATM 2765 O HOH A 634 -32.047 7.648 4.882 1.00 35.96 O HETATM 2766 O HOH A 635 -14.801 16.969 12.485 1.00 37.80 O HETATM 2767 O HOH A 636 -22.578 0.367 16.260 1.00 38.34 O HETATM 2768 O HOH A 637 -23.287 2.608 14.353 1.00 18.72 O HETATM 2769 O HOH A 638 -24.907 3.801 12.719 1.00 44.62 O HETATM 2770 O HOH A 639 -17.112 -10.891 20.265 1.00 43.21 O HETATM 2771 O HOH A 640 -16.298 5.418 25.503 1.00 37.79 O HETATM 2772 O HOH A 641 -35.630 16.597 25.825 1.00 36.42 O HETATM 2773 O HOH A 642 -35.255 20.767 19.475 1.00 32.57 O HETATM 2774 O HOH A 643 -30.484 22.192 8.819 1.00 46.58 O HETATM 2775 O HOH A 644 -38.201 17.686 11.009 1.00 36.72 O HETATM 2776 O HOH A 645 -13.122 20.335 15.524 1.00 40.44 O HETATM 2777 O HOH A 646 -16.679 -3.722 10.693 1.00 30.93 O HETATM 2778 O HOH A 647 -22.738 0.147 18.797 1.00 52.61 O HETATM 2779 O HOH A 648 -14.605 4.397 6.424 1.00 29.82 O HETATM 2780 O HOH A 649 -16.236 6.487 5.907 1.00 27.75 O HETATM 2781 O HOH A 650 -15.779 0.189 5.415 1.00 36.76 O HETATM 2782 O HOH A 651 -12.839 -5.642 6.221 1.00 35.49 O HETATM 2783 O HOH A 652 -23.647 5.414 5.816 1.00 52.09 O HETATM 2784 O HOH A 653 -27.833 8.188 4.013 1.00 43.42 O HETATM 2785 O HOH A 654 -5.022 15.465 19.689 1.00 31.90 O HETATM 2786 O HOH A 655 4.056 16.904 16.865 1.00 26.04 O HETATM 2787 O HOH A 656 9.904 13.887 24.727 1.00 31.45 O HETATM 2788 O HOH A 657 4.347 12.953 23.802 1.00 30.04 O HETATM 2789 O HOH A 658 -33.083 16.222 5.430 1.00 36.66 O HETATM 2790 O HOH A 659 -8.606 -5.639 17.422 1.00 30.55 O HETATM 2791 O HOH A 660 -11.254 -3.689 24.234 1.00 50.09 O HETATM 2792 O HOH A 661 -17.437 0.360 25.861 1.00 33.73 O HETATM 2793 O HOH A 662 -37.387 16.828 23.876 1.00 42.95 O HETATM 2794 O HOH A 663 -29.680 19.465 26.061 1.00 31.82 O HETATM 2795 O HOH A 664 -12.835 -8.845 8.475 1.00 36.43 O HETATM 2796 O HOH A 665 -23.507 4.732 8.949 1.00 36.00 O HETATM 2797 O HOH A 666 -11.480 6.167 24.507 1.00 32.32 O HETATM 2798 O HOH A 667 -28.272 3.150 20.823 1.00 30.79 O HETATM 2799 O HOH A 668 -0.264 18.435 16.611 1.00 74.10 O HETATM 2800 O HOH A 669 -25.244 0.902 15.553 1.00 52.13 O HETATM 2801 O HOH A 670 -12.081 15.665 7.294 1.00 41.10 O HETATM 2802 O HOH A 671 -22.523 12.059 7.053 1.00 32.12 O HETATM 2803 O HOH A 672 -12.252 10.656 8.144 1.00 36.93 O HETATM 2804 O HOH A 673 -15.892 19.941 9.948 1.00 41.14 O HETATM 2805 O HOH A 674 -21.095 8.656 31.071 1.00 44.61 O HETATM 2806 O HOH A 675 -26.812 18.366 15.569 1.00 50.02 O HETATM 2807 O HOH A 676 -29.513 5.200 4.607 1.00 55.06 O HETATM 2808 O HOH A 677 -34.392 10.477 2.138 1.00 39.48 O HETATM 2809 O HOH A 678 -17.645 22.829 17.940 1.00 52.07 O HETATM 2810 O HOH A 679 -10.344 13.355 23.784 1.00 50.96 O HETATM 2811 O HOH A 680 -14.748 7.495 30.691 1.00 53.21 O HETATM 2812 O HOH A 681 -18.198 8.088 30.671 1.00 49.51 O HETATM 2813 O HOH A 682 -18.117 5.895 33.627 1.00 53.70 O HETATM 2814 O HOH A 683 -23.777 4.275 26.419 1.00 48.16 O HETATM 2815 O HOH A 684 -15.498 14.214 33.635 1.00 40.05 O HETATM 2816 O HOH A 685 -17.806 12.398 34.573 1.00 34.98 O HETATM 2817 O HOH A 686 -30.206 25.579 13.777 1.00 42.54 O HETATM 2818 O HOH A 687 -7.758 12.853 23.394 1.00 45.93 O HETATM 2819 O HOH A 688 -18.983 -7.551 12.533 1.00 53.82 O HETATM 2820 O HOH A 689 -24.256 8.984 4.848 1.00 36.70 O HETATM 2821 O HOH A 690 10.574 15.425 15.963 1.00 39.58 O HETATM 2822 O HOH A 691 11.740 17.914 24.905 1.00 41.03 O HETATM 2823 O HOH A 692 -25.813 -0.135 19.033 1.00 52.11 O HETATM 2824 O HOH A 693 -11.066 -10.310 9.665 1.00 35.46 O HETATM 2825 O HOH A 694 -14.659 -8.599 14.067 1.00 35.45 O HETATM 2826 O HOH A 695 -8.721 -9.938 9.554 1.00 33.33 O HETATM 2827 O HOH A 696 -6.431 -6.910 16.615 1.00 43.07 O HETATM 2828 O HOH A 697 -7.086 -10.896 13.610 1.00 35.92 O HETATM 2829 O HOH A 698 -15.720 -6.285 10.061 1.00 37.57 O HETATM 2830 O HOH A 699 -22.438 10.336 3.260 1.00 50.39 O HETATM 2831 O HOH A 700 13.558 16.800 23.565 1.00 43.67 O HETATM 2832 O HOH A 701 15.539 14.433 30.176 1.00 55.56 O HETATM 2833 O HOH A 702 -24.781 22.310 19.911 1.00 43.97 O HETATM 2834 O HOH A 703 10.317 15.860 26.661 1.00 39.12 O HETATM 2835 O HOH A 704 -21.685 3.319 24.688 1.00 39.83 O HETATM 2836 O HOH A 705 -36.003 18.256 7.650 1.00 42.74 O HETATM 2837 O HOH A 706 -14.172 10.029 31.185 1.00 44.39 O HETATM 2838 O HOH A 707 -21.178 17.794 6.912 1.00 45.40 O HETATM 2839 O HOH A 708 -8.780 18.118 20.425 1.00 47.93 O HETATM 2840 O HOH A 709 -16.083 11.198 6.502 1.00 44.60 O HETATM 2841 O HOH A 710 -27.088 0.805 21.227 1.00 46.98 O HETATM 2842 O HOH A 711 -19.993 1.957 26.133 1.00 38.78 O HETATM 2843 O HOH A 712 -23.254 21.662 9.834 1.00 54.35 O HETATM 2844 O HOH A 713 -26.009 2.049 10.898 1.00 57.14 O HETATM 2845 O HOH A 714 -9.329 11.078 9.250 1.00 44.69 O HETATM 2846 O HOH A 715 -11.717 -10.528 12.317 1.00 42.74 O HETATM 2847 O HOH A 716 6.317 18.611 20.701 1.00 48.57 O HETATM 2848 O HOH A 717 -19.998 25.598 28.105 1.00 53.46 O HETATM 2849 O HOH A 718 -17.400 20.337 15.928 1.00 53.04 O HETATM 2850 O HOH A 719 -15.055 16.038 29.337 1.00 29.83 O HETATM 2851 O HOH A 720 -32.748 20.565 7.871 1.00 26.38 O HETATM 2852 O HOH A 721 11.735 16.841 28.419 1.00 46.57 O HETATM 2853 O HOH A 722 -22.096 17.782 10.518 1.00 24.03 O HETATM 2854 O HOH A 723 -17.886 11.719 8.453 1.00 25.89 O HETATM 2855 O HOH A 724 -28.935 6.359 13.886 1.00 30.15 O HETATM 2856 O HOH A 725 -28.739 16.093 4.969 1.00 28.66 O HETATM 2857 O HOH A 726 -20.045 12.660 33.405 1.00 31.02 O HETATM 2858 O HOH A 727 -30.867 9.788 4.292 1.00 34.58 O HETATM 2859 O HOH A 728 -35.739 21.897 16.407 1.00 50.54 O HETATM 2860 O HOH A 729 10.287 18.407 29.931 1.00 43.35 O HETATM 2861 O HOH A 730 -1.023 17.159 22.051 1.00 42.20 O HETATM 2862 O HOH A 731 -13.325 12.579 29.311 1.00 53.83 O HETATM 2863 O HOH A 732 8.736 15.578 28.822 1.00 70.69 O HETATM 2864 O HOH A 733 13.209 14.948 28.469 1.00 40.56 O HETATM 2865 O HOH A 734 14.750 16.904 28.735 1.00 51.83 O HETATM 2866 O HOH A 735 -31.760 19.776 27.787 1.00 31.16 O HETATM 2867 O HOH A 736 -20.428 -4.853 12.295 1.00 39.71 O HETATM 2868 O HOH A 737 -0.833 12.337 23.532 1.00 32.25 O HETATM 2869 O HOH B1002 19.115 -7.017 -4.330 1.00 25.88 O HETATM 2870 O HOH B1003 17.961 -8.204 -1.799 1.00 24.06 O HETATM 2871 O HOH B1004 12.914 1.581 -6.417 1.00 16.67 O HETATM 2872 O HOH B1005 14.252 0.796 -8.685 1.00 21.94 O HETATM 2873 O HOH B1006 -4.653 16.525 -1.452 1.00 16.92 O HETATM 2874 O HOH B1007 -7.407 12.168 -2.123 1.00 20.11 O HETATM 2875 O HOH B1008 14.351 -13.012 6.582 1.00 19.82 O HETATM 2876 O HOH B1009 10.816 -7.906 -3.137 1.00 31.32 O HETATM 2877 O HOH B1010 14.979 -7.139 10.284 1.00 15.24 O HETATM 2878 O HOH B1011 12.785 -8.243 11.621 1.00 14.06 O HETATM 2879 O HOH B1012 8.607 -10.594 8.004 1.00 18.18 O HETATM 2880 O HOH B1013 19.211 -11.398 14.652 1.00 19.01 O HETATM 2881 O HOH B1014 4.496 -12.278 17.288 1.00 45.22 O HETATM 2882 O HOH B1015 4.648 -11.669 6.093 1.00 14.54 O HETATM 2883 O HOH B1016 6.410 -6.445 12.959 1.00 15.21 O HETATM 2884 O HOH B1017 9.067 -6.309 13.595 1.00 12.52 O HETATM 2885 O HOH B1018 10.972 -6.978 15.420 1.00 15.61 O HETATM 2886 O HOH B1019 6.417 -0.961 13.329 1.00 14.97 O HETATM 2887 O HOH B1020 8.093 -2.280 11.848 1.00 16.09 O HETATM 2888 O HOH B1021 10.166 -3.987 12.717 1.00 13.40 O HETATM 2889 O HOH B1022 1.535 -5.291 10.030 1.00 11.80 O HETATM 2890 O HOH B1023 6.995 -11.499 4.405 1.00 17.62 O HETATM 2891 O HOH B1024 3.503 -14.156 5.741 1.00 18.32 O HETATM 2892 O HOH B1025 3.327 -13.282 11.996 1.00 22.27 O HETATM 2893 O HOH B1026 -5.082 9.081 -4.888 1.00 20.73 O HETATM 2894 O HOH B1027 -3.419 6.826 -4.192 1.00 18.95 O HETATM 2895 O HOH B1028 6.254 -16.676 7.048 1.00 33.42 O HETATM 2896 O HOH B1029 -6.773 4.583 -3.220 1.00 60.22 O HETATM 2897 O HOH B1030 8.733 -12.565 6.213 1.00 23.93 O HETATM 2898 O HOH B1031 7.527 -14.361 7.735 1.00 28.05 O HETATM 2899 O HOH B1032 12.010 -15.035 9.317 1.00 22.88 O HETATM 2900 O HOH B1033 0.049 -11.749 12.551 1.00 25.77 O HETATM 2901 O HOH B1034 3.584 -9.097 18.937 1.00 19.29 O HETATM 2902 O HOH B1035 6.124 -9.025 19.912 1.00 19.36 O HETATM 2903 O HOH B1036 1.659 -10.744 14.389 1.00 27.25 O HETATM 2904 O HOH B1037 -3.927 -7.766 12.211 1.00 17.71 O HETATM 2905 O HOH B1038 -4.450 -6.354 18.522 1.00 33.75 O HETATM 2906 O HOH B1039 -3.779 -4.837 22.826 1.00 20.85 O HETATM 2907 O HOH B1040 -2.617 -7.301 21.939 1.00 33.13 O HETATM 2908 O HOH B1041 -5.462 2.399 26.096 1.00 44.56 O HETATM 2909 O HOH B1042 -6.230 3.047 23.782 1.00 21.99 O HETATM 2910 O HOH B1043 -1.712 -0.606 26.606 1.00 33.09 O HETATM 2911 O HOH B1044 -1.801 2.639 24.299 1.00 27.08 O HETATM 2912 O HOH B1045 -3.181 -3.821 25.323 1.00 27.25 O HETATM 2913 O HOH B1046 19.054 -3.939 10.154 1.00 13.02 O HETATM 2914 O HOH B1047 18.786 -10.401 17.214 1.00 17.88 O HETATM 2915 O HOH B1048 20.888 -11.679 18.449 1.00 19.95 O HETATM 2916 O HOH B1049 22.396 -12.889 16.475 1.00 23.50 O HETATM 2917 O HOH B1050 24.974 -12.965 8.153 1.00 26.84 O HETATM 2918 O HOH B1051 26.521 -18.116 12.424 1.00 48.34 O HETATM 2919 O HOH B1052 17.608 -16.116 8.877 1.00 29.30 O HETATM 2920 O HOH B1053 13.977 -16.055 17.252 1.00 25.72 O HETATM 2921 O HOH B1054 12.436 -15.281 13.924 1.00 38.00 O HETATM 2922 O HOH B1055 13.428 -14.977 20.926 1.00 21.32 O HETATM 2923 O HOH B1056 15.031 -18.238 26.494 1.00 53.00 O HETATM 2924 O HOH B1057 9.077 -13.393 17.085 1.00 33.35 O HETATM 2925 O HOH B1058 8.417 -8.465 24.014 1.00 14.46 O HETATM 2926 O HOH B1059 9.479 3.313 27.655 1.00 16.36 O HETATM 2927 O HOH B1060 17.341 -2.310 32.108 1.00 20.57 O HETATM 2928 O HOH B1061 11.483 2.696 31.877 1.00 18.20 O HETATM 2929 O HOH B1062 11.574 4.414 34.049 1.00 50.46 O HETATM 2930 O HOH B1063 16.968 10.299 32.473 1.00 51.28 O HETATM 2931 O HOH B1064 19.800 9.210 26.815 1.00 24.42 O HETATM 2932 O HOH B1065 18.400 8.706 24.605 1.00 17.82 O HETATM 2933 O HOH B1066 16.403 11.626 25.884 1.00 23.26 O HETATM 2934 O HOH B1067 21.722 7.868 28.034 1.00 38.78 O HETATM 2935 O HOH B1068 19.181 -10.217 37.207 1.00 46.57 O HETATM 2936 O HOH B1069 20.475 -12.019 36.752 1.00 29.47 O HETATM 2937 O HOH B1070 16.283 -17.611 35.015 1.00 33.38 O HETATM 2938 O HOH B1071 29.023 0.272 23.775 1.00 34.98 O HETATM 2939 O HOH B1072 26.759 7.271 23.921 1.00 20.02 O HETATM 2940 O HOH B1073 19.516 10.033 22.598 1.00 31.96 O HETATM 2941 O HOH B1074 25.368 6.426 21.545 1.00 18.66 O HETATM 2942 O HOH B1075 19.725 11.625 16.449 1.00 15.80 O HETATM 2943 O HOH B1076 18.882 11.106 20.252 1.00 21.76 O HETATM 2944 O HOH B1077 12.312 8.540 13.982 1.00 14.49 O HETATM 2945 O HOH B1078 17.124 11.237 17.983 1.00 17.78 O HETATM 2946 O HOH B1079 11.009 11.031 14.518 1.00 19.51 O HETATM 2947 O HOH B1080 14.559 7.608 15.998 1.00 13.28 O HETATM 2948 O HOH B1081 11.839 8.611 8.467 1.00 11.56 O HETATM 2949 O HOH B1082 14.925 6.558 13.525 1.00 13.24 O HETATM 2950 O HOH B1083 16.619 10.686 8.106 1.00 16.05 O HETATM 2951 O HOH B1084 17.363 10.106 11.769 1.00 16.67 O HETATM 2952 O HOH B1085 19.991 15.688 6.242 1.00 23.47 O HETATM 2953 O HOH B1086 7.982 14.469 12.591 1.00 21.25 O HETATM 2954 O HOH B1087 6.094 12.877 16.186 1.00 24.76 O HETATM 2955 O HOH B1088 -2.613 12.967 10.580 1.00 30.83 O HETATM 2956 O HOH B1089 2.299 14.766 14.038 1.00 26.12 O HETATM 2957 O HOH B1090 5.108 15.106 14.103 1.00 24.43 O HETATM 2958 O HOH B1091 15.116 10.372 16.195 1.00 16.83 O HETATM 2959 O HOH B1092 16.165 11.429 13.769 1.00 22.23 O HETATM 2960 O HOH B1093 20.235 13.121 9.571 1.00 21.86 O HETATM 2961 O HOH B1094 16.484 13.736 18.563 1.00 25.47 O HETATM 2962 O HOH B1095 17.480 12.338 10.217 1.00 19.78 O HETATM 2963 O HOH B1096 24.627 9.799 12.922 1.00 16.47 O HETATM 2964 O HOH B1097 23.571 9.340 15.420 1.00 14.58 O HETATM 2965 O HOH B1098 19.738 0.035 35.200 1.00 45.67 O HETATM 2966 O HOH B1099 10.059 11.856 26.422 1.00 31.48 O HETATM 2967 O HOH B1100 3.684 10.683 25.019 1.00 20.59 O HETATM 2968 O HOH B1101 4.964 11.698 33.799 1.00 47.42 O HETATM 2969 O HOH B1102 2.776 3.454 28.665 1.00 23.80 O HETATM 2970 O HOH B1103 24.732 -2.966 24.360 1.00 18.37 O HETATM 2971 O HOH B1104 19.929 7.884 30.522 1.00 49.82 O HETATM 2972 O HOH B1105 23.404 -6.008 30.678 1.00 20.64 O HETATM 2973 O HOH B1106 10.786 9.151 29.617 1.00 26.55 O HETATM 2974 O HOH B1107 3.773 6.322 29.352 1.00 33.57 O HETATM 2975 O HOH B1108 8.897 4.503 30.223 1.00 31.68 O HETATM 2976 O HOH B1109 9.702 -16.209 29.108 1.00 31.74 O HETATM 2977 O HOH B1110 8.420 -11.546 31.553 1.00 30.72 O HETATM 2978 O HOH B1111 8.079 -17.220 25.722 1.00 42.19 O HETATM 2979 O HOH B1112 5.996 -12.167 22.578 1.00 28.53 O HETATM 2980 O HOH B1113 8.130 -12.503 14.737 1.00 19.05 O HETATM 2981 O HOH B1114 5.533 -12.585 8.646 1.00 14.57 O HETATM 2982 O HOH B1115 11.159 -11.828 31.671 1.00 30.00 O HETATM 2983 O HOH B1116 13.010 -11.536 33.864 1.00 23.29 O HETATM 2984 O HOH B1117 27.758 1.890 28.079 1.00 54.77 O HETATM 2985 O HOH B1118 13.242 -15.018 31.214 1.00 26.57 O HETATM 2986 O HOH B1119 18.551 -15.821 35.726 1.00 25.04 O HETATM 2987 O HOH B1120 17.294 11.020 28.340 1.00 40.22 O HETATM 2988 O HOH B1121 19.050 -21.894 31.865 1.00 48.39 O HETATM 2989 O HOH B1122 6.832 -10.393 29.499 1.00 23.12 O HETATM 2990 O HOH B1123 7.065 -6.998 31.931 1.00 21.18 O HETATM 2991 O HOH B1124 -6.258 2.490 1.271 1.00 21.47 O HETATM 2992 O HOH B1125 -6.980 8.939 4.076 1.00 17.21 O HETATM 2993 O HOH B1126 10.719 12.958 -5.914 1.00 23.89 O HETATM 2994 O HOH B1127 -7.135 -6.068 -2.440 1.00 17.36 O HETATM 2995 O HOH B1128 7.877 17.100 0.542 1.00 18.48 O HETATM 2996 O HOH B1129 1.931 16.338 0.606 1.00 28.74 O HETATM 2997 O HOH B1130 -7.235 0.366 0.062 1.00 23.24 O HETATM 2998 O HOH B1131 4.147 13.288 1.792 1.00 16.82 O HETATM 2999 O HOH B1132 -5.075 -1.054 -0.832 1.00 18.58 O HETATM 3000 O HOH B1133 6.207 19.386 -5.757 1.00 11.76 O HETATM 3001 O HOH B1134 6.638 6.585 1.307 1.00 17.74 O HETATM 3002 O HOH B1135 8.433 8.970 -1.883 1.00 13.25 O HETATM 3003 O HOH B1136 -0.745 7.671 6.170 1.00 18.65 O HETATM 3004 O HOH B1137 -4.228 17.598 1.045 1.00 35.01 O HETATM 3005 O HOH B1138 5.221 5.216 -6.433 1.00 15.20 O HETATM 3006 O HOH B1139 2.559 6.071 -6.357 1.00 20.07 O HETATM 3007 O HOH B1140 16.939 12.149 -2.582 1.00 25.23 O HETATM 3008 O HOH B1141 -2.070 6.235 -6.431 1.00 20.94 O HETATM 3009 O HOH B1142 4.224 -16.516 9.418 1.00 43.64 O HETATM 3010 O HOH B1143 -7.010 -9.277 6.532 1.00 18.34 O HETATM 3011 O HOH B1144 12.704 12.253 -3.085 1.00 23.27 O HETATM 3012 O HOH B1145 1.629 14.644 -1.558 1.00 25.74 O HETATM 3013 O HOH B1146 4.747 14.096 -4.811 1.00 27.54 O HETATM 3014 O HOH B1147 -2.619 -9.629 4.753 1.00 20.32 O HETATM 3015 O HOH B1148 -0.192 0.127 -7.200 1.00 24.21 O HETATM 3016 O HOH B1149 -6.191 -2.891 5.921 1.00 12.95 O HETATM 3017 O HOH B1150 -12.767 -2.818 5.664 1.00 23.71 O HETATM 3018 O HOH B1151 10.520 17.359 0.283 1.00 23.58 O HETATM 3019 O HOH B1152 -12.334 -2.446 3.083 1.00 21.76 O HETATM 3020 O HOH B1153 14.543 -13.695 33.461 1.00 25.37 O HETATM 3021 O HOH B1154 16.385 -9.304 36.197 1.00 30.17 O HETATM 3022 O HOH B1155 -12.347 5.585 6.878 1.00 17.13 O HETATM 3023 O HOH B1156 22.904 12.200 9.288 1.00 19.69 O HETATM 3024 O HOH B1157 13.908 -12.465 -5.995 1.00 35.81 O HETATM 3025 O HOH B1158 -8.408 8.075 12.176 1.00 17.39 O HETATM 3026 O HOH B1159 -7.881 10.171 7.345 1.00 21.86 O HETATM 3027 O HOH B1160 18.823 12.215 24.530 1.00 39.32 O HETATM 3028 O HOH B1161 -8.783 -3.131 4.922 1.00 14.89 O HETATM 3029 O HOH B1162 5.615 14.508 -0.337 1.00 16.49 O HETATM 3030 O HOH B1163 4.769 12.507 -6.914 1.00 22.88 O HETATM 3031 O HOH B1164 14.120 13.016 -0.589 1.00 26.99 O HETATM 3032 O HOH B1165 15.779 6.884 -3.875 1.00 23.55 O HETATM 3033 O HOH B1166 -2.613 4.334 -2.546 1.00 30.49 O HETATM 3034 O HOH B1167 -6.293 8.339 -0.232 1.00 26.53 O HETATM 3035 O HOH B1168 -6.670 9.506 -2.652 1.00 26.97 O HETATM 3036 O HOH B1169 -4.323 6.367 -0.553 1.00 25.84 O HETATM 3037 O HOH B1170 4.191 13.309 -2.148 1.00 25.53 O HETATM 3038 O HOH B1171 16.799 8.900 5.235 1.00 25.87 O HETATM 3039 O HOH B1172 -6.473 11.377 5.496 1.00 26.02 O HETATM 3040 O HOH B1173 10.356 -11.165 -0.749 1.00 25.47 O HETATM 3041 O HOH B1174 11.544 15.482 -5.891 1.00 22.97 O HETATM 3042 O HOH B1175 -12.436 8.148 6.206 1.00 25.72 O HETATM 3043 O HOH B1176 -6.513 9.283 10.586 1.00 26.83 O HETATM 3044 O HOH B1177 18.428 13.004 14.443 1.00 23.43 O HETATM 3045 O HOH B1178 -10.538 0.476 23.541 1.00 29.54 O HETATM 3046 O HOH B1179 -2.142 -10.311 14.288 1.00 24.76 O HETATM 3047 O HOH B1180 14.173 10.689 -5.058 1.00 24.63 O HETATM 3048 O HOH B1181 11.711 16.068 2.526 1.00 19.55 O HETATM 3049 O HOH B1182 -1.034 16.383 6.014 1.00 23.24 O HETATM 3050 O HOH B1183 8.197 -6.926 -3.691 1.00 25.03 O HETATM 3051 O HOH B1184 -13.389 -4.676 1.880 1.00 32.81 O HETATM 3052 O HOH B1185 0.935 -17.019 8.002 1.00 25.83 O HETATM 3053 O HOH B1186 11.042 -15.936 19.856 1.00 31.64 O HETATM 3054 O HOH B1187 20.141 -7.399 -0.347 1.00 34.05 O HETATM 3055 O HOH B1188 11.318 -12.747 6.216 1.00 31.90 O HETATM 3056 O HOH B1189 -7.163 -3.242 -2.760 1.00 26.24 O HETATM 3057 O HOH B1190 -8.795 3.813 1.184 1.00 32.23 O HETATM 3058 O HOH B1191 23.668 -13.447 20.680 1.00 31.59 O HETATM 3059 O HOH B1192 -7.391 5.403 23.289 1.00 27.52 O HETATM 3060 O HOH B1193 3.850 4.976 16.058 1.00 29.42 O HETATM 3061 O HOH B1194 -6.599 -4.543 22.696 1.00 39.17 O HETATM 3062 O HOH B1195 -0.057 -7.811 20.750 1.00 29.05 O HETATM 3063 O HOH B1196 -13.755 -0.251 2.187 1.00 40.22 O HETATM 3064 O HOH B1197 -13.104 6.206 2.521 1.00 38.56 O HETATM 3065 O HOH B1198 -11.796 4.580 4.182 1.00 33.89 O HETATM 3066 O HOH B1199 -9.519 4.902 3.343 1.00 38.23 O HETATM 3067 O HOH B1200 -9.110 7.732 3.170 1.00 36.66 O HETATM 3068 O HOH B1201 -8.750 7.729 0.337 1.00 37.48 O HETATM 3069 O HOH B1202 -14.915 8.825 5.438 1.00 33.63 O HETATM 3070 O HOH B1203 25.089 -6.961 0.347 1.00 41.29 O HETATM 3071 O HOH B1204 -0.460 14.680 8.150 1.00 24.31 O HETATM 3072 O HOH B1205 1.544 13.796 11.562 1.00 32.16 O HETATM 3073 O HOH B1206 6.248 13.717 25.627 1.00 32.36 O HETATM 3074 O HOH B1207 -10.176 -5.005 20.370 1.00 41.32 O HETATM 3075 O HOH B1208 10.847 2.383 -12.099 1.00 50.66 O HETATM 3076 O HOH B1209 22.177 -13.987 4.128 1.00 35.51 O HETATM 3077 O HOH B1210 14.365 -15.624 7.771 1.00 32.66 O HETATM 3078 O HOH B1211 9.781 -15.788 8.293 1.00 33.33 O HETATM 3079 O HOH B1212 10.107 -12.876 1.138 1.00 37.15 O HETATM 3080 O HOH B1213 6.229 -11.560 19.727 1.00 33.58 O HETATM 3081 O HOH B1214 -1.698 5.555 24.882 1.00 33.94 O HETATM 3082 O HOH B1215 26.093 -5.730 11.730 1.00 33.36 O HETATM 3083 O HOH B1216 19.149 -17.722 12.142 1.00 30.78 O HETATM 3084 O HOH B1217 15.632 -17.219 8.816 1.00 52.51 O HETATM 3085 O HOH B1218 10.393 -15.467 15.660 1.00 48.46 O HETATM 3086 O HOH B1219 8.712 -15.635 21.105 1.00 38.30 O HETATM 3087 O HOH B1220 20.173 0.044 32.085 1.00 33.62 O HETATM 3088 O HOH B1221 21.770 -3.569 33.125 1.00 32.38 O HETATM 3089 O HOH B1222 16.281 1.210 32.784 1.00 37.31 O HETATM 3090 O HOH B1223 0.103 0.493 29.411 1.00 40.27 O HETATM 3091 O HOH B1224 12.368 14.866 12.064 1.00 45.65 O HETATM 3092 O HOH B1225 10.442 13.616 13.327 1.00 31.65 O HETATM 3093 O HOH B1226 24.607 -8.373 27.103 1.00 28.68 O HETATM 3094 O HOH B1227 13.764 -17.297 29.989 1.00 44.24 O HETATM 3095 O HOH B1228 3.384 -11.775 22.972 1.00 41.13 O HETATM 3096 O HOH B1229 -3.508 -6.069 26.923 1.00 41.79 O HETATM 3097 O HOH B1230 -1.672 -7.671 28.005 1.00 42.91 O HETATM 3098 O HOH B1231 10.653 -0.942 36.640 1.00 45.35 O HETATM 3099 O HOH B1232 29.961 3.696 14.082 1.00 51.14 O HETATM 3100 O HOH B1233 27.909 2.880 9.733 1.00 40.78 O HETATM 3101 O HOH B1234 22.486 15.782 6.344 1.00 29.80 O HETATM 3102 O HOH B1235 13.125 16.087 6.027 1.00 31.85 O HETATM 3103 O HOH B1236 24.684 4.452 4.167 1.00 32.50 O HETATM 3104 O HOH B1237 23.695 7.124 5.150 1.00 33.55 O HETATM 3105 O HOH B1238 24.922 8.879 4.288 1.00 32.22 O HETATM 3106 O HOH B1239 -0.894 -6.441 -6.002 1.00 33.42 O HETATM 3107 O HOH B1240 4.669 20.911 9.179 1.00 49.30 O HETATM 3108 O HOH B1241 0.204 16.225 10.305 1.00 32.70 O HETATM 3109 O HOH B1242 -9.459 -0.697 0.378 1.00 27.97 O HETATM 3110 O HOH B1243 -7.723 14.167 1.751 1.00 38.53 O HETATM 3111 O HOH B1244 -6.684 17.295 1.629 1.00 27.72 O HETATM 3112 O HOH B1245 12.430 -5.690 -4.215 1.00 32.85 O HETATM 3113 O HOH B1246 -0.820 -2.918 -10.543 1.00 48.79 O HETATM 3114 O HOH B1247 10.477 16.440 10.109 1.00 38.51 O HETATM 3115 O HOH B1248 1.135 18.265 8.929 1.00 41.38 O HETATM 3116 O HOH B1249 -4.223 -1.974 -5.777 1.00 38.23 O HETATM 3117 O HOH B1250 12.485 15.357 -3.515 1.00 36.79 O HETATM 3118 O HOH B1251 27.669 -4.365 19.738 1.00 28.90 O HETATM 3119 O HOH B1252 25.344 -1.998 12.353 1.00 28.20 O HETATM 3120 O HOH B1253 28.636 -6.234 11.397 1.00 44.25 O HETATM 3121 O HOH B1254 0.789 -8.724 31.322 1.00 26.25 O HETATM 3122 O HOH B1255 14.856 13.560 11.941 1.00 36.05 O HETATM 3123 O HOH B1256 8.473 0.542 33.387 1.00 31.53 O HETATM 3124 O HOH B1257 16.990 -18.059 10.989 1.00 50.04 O HETATM 3125 O HOH B1258 27.078 -1.551 25.847 1.00 38.79 O HETATM 3126 O HOH B1259 27.935 4.259 16.386 1.00 42.42 O HETATM 3127 O HOH B1260 -4.784 -0.824 25.593 1.00 39.64 O HETATM 3128 O HOH B1261 -8.742 8.041 -3.538 1.00 42.24 O HETATM 3129 O HOH B1262 18.809 -17.458 7.018 1.00 39.38 O HETATM 3130 O HOH B1263 10.380 -18.241 12.098 1.00 41.77 O HETATM 3131 O HOH B1264 11.479 -14.718 4.632 1.00 39.89 O HETATM 3132 O HOH B1265 26.294 -6.393 18.923 1.00 36.73 O HETATM 3133 O HOH B1266 -7.199 13.606 4.410 1.00 43.97 O HETATM 3134 O HOH B1267 -0.647 -6.968 30.177 1.00 36.28 O HETATM 3135 O HOH B1268 -7.277 -11.635 7.581 1.00 45.09 O HETATM 3136 O HOH B1269 11.711 -14.335 2.104 1.00 36.00 O HETATM 3137 O HOH B1270 27.399 -3.538 2.267 1.00 55.27 O HETATM 3138 O HOH B1271 30.330 -0.801 16.242 1.00 41.75 O HETATM 3139 O HOH B1272 28.958 -0.259 -1.774 1.00 51.46 O HETATM 3140 O HOH B1273 14.809 -7.848 -4.632 1.00 43.17 O HETATM 3141 O HOH B1274 13.590 -7.900 -8.332 1.00 37.88 O HETATM 3142 O HOH B1275 -3.026 9.786 25.430 1.00 44.22 O HETATM 3143 O HOH B1276 -0.262 6.107 22.743 1.00 45.99 O HETATM 3144 O HOH B1277 17.486 15.467 15.182 1.00 44.98 O HETATM 3145 O HOH B1278 11.153 11.795 -8.343 1.00 50.43 O HETATM 3146 O HOH B1279 22.043 -4.841 38.056 1.00 47.03 O HETATM 3147 O HOH B1280 25.082 -0.561 -3.285 1.00 45.63 O HETATM 3148 O HOH B1281 -8.946 10.458 1.571 1.00 56.44 O HETATM 3149 O HOH B1282 12.590 -9.324 -4.407 1.00 43.09 O HETATM 3150 O HOH B1283 13.041 -16.363 0.872 1.00 44.94 O HETATM 3151 O HOH B1284 14.474 -18.244 11.240 1.00 43.61 O HETATM 3152 O HOH B1285 15.307 -18.294 18.900 1.00 40.14 O HETATM 3153 O HOH B1286 8.653 -18.199 10.193 1.00 49.14 O HETATM 3154 O HOH B1287 31.714 -7.799 19.225 1.00 47.06 O HETATM 3155 O HOH B1288 23.831 -14.627 18.256 1.00 30.69 O HETATM 3156 O HOH B1289 16.806 -16.250 25.236 1.00 34.85 O HETATM 3157 O HOH B1290 1.338 -6.630 35.465 1.00 40.64 O HETATM 3158 O HOH B1291 16.772 -0.869 34.125 1.00 41.69 O HETATM 3159 O HOH B1292 27.777 -1.913 23.625 1.00 38.50 O HETATM 3160 O HOH B1293 20.996 -5.992 35.903 1.00 48.12 O HETATM 3161 O HOH B1294 22.648 -5.761 34.042 1.00 35.34 O HETATM 3162 O HOH B1295 11.694 -17.044 17.771 1.00 43.50 O HETATM 3163 O HOH B1296 6.057 -16.242 24.597 1.00 39.79 O HETATM 3164 O HOH B1297 0.363 -9.049 24.010 1.00 52.54 O HETATM 3165 O HOH B1298 -1.238 -10.814 18.380 1.00 45.91 O HETATM 3166 O HOH B1299 24.663 -9.962 29.405 1.00 41.53 O HETATM 3167 O HOH B1300 21.768 -15.063 26.393 1.00 31.24 O HETATM 3168 O HOH B1301 19.916 15.780 9.189 1.00 32.36 O HETATM 3169 O HOH B1302 18.579 18.013 5.159 1.00 46.81 O HETATM 3170 O HOH B1303 17.924 19.716 14.521 1.00 69.09 O HETATM 3171 O HOH B1304 14.328 15.212 1.349 1.00 35.45 O HETATM 3172 O HOH B1305 23.209 9.778 -0.950 1.00 40.25 O HETATM 3173 O HOH B1306 21.344 11.945 -0.804 1.00 37.08 O HETATM 3174 O HOH B1307 -4.970 3.797 -0.760 1.00 31.62 O HETATM 3175 O HOH B1308 11.310 20.050 1.598 1.00 30.80 O HETATM 3176 O HOH B1309 15.416 18.409 5.450 1.00 59.66 O HETATM 3177 O HOH B1310 -5.995 17.297 5.457 1.00 54.88 O HETATM 3178 O HOH B1311 3.162 -6.920 -7.906 1.00 50.09 O HETATM 3179 O HOH B1312 -1.142 -15.867 10.637 1.00 41.77 O HETATM 3180 O HOH B1313 17.430 7.860 -5.452 1.00 49.69 O HETATM 3181 O HOH B1314 13.449 0.928 -11.264 1.00 32.81 O HETATM 3182 O HOH B1315 7.679 6.211 -8.027 1.00 18.33 O HETATM 3183 O HOH B1316 0.215 4.390 -6.045 1.00 21.86 O HETATM 3184 O HOH B1317 8.505 5.392 -11.839 1.00 51.37 O HETATM 3185 O HOH B1318 14.313 13.640 14.130 1.00 35.21 O HETATM 3186 O HOH B1319 4.494 -15.928 20.636 1.00 61.41 O HETATM 3187 O HOH B1320 14.673 -16.647 14.330 1.00 40.44 O HETATM 3188 O HOH B1321 -2.555 0.884 -4.025 1.00 40.50 O HETATM 3189 O HOH B1322 -10.812 1.369 0.740 1.00 42.22 O HETATM 3190 O HOH B1323 5.488 -17.071 11.608 1.00 51.00 O HETATM 3191 O HOH B1324 24.846 -4.687 1.667 1.00 40.69 O HETATM 3192 O HOH B1325 31.474 -0.510 23.460 1.00 50.79 O HETATM 3193 O HOH B1326 29.829 3.075 17.813 1.00 40.46 O HETATM 3194 O HOH B1327 -10.125 -2.894 21.951 1.00 36.20 O HETATM 3195 O HOH B1328 28.423 -16.441 14.480 1.00 51.82 O HETATM 3196 O HOH B1329 -2.837 -5.795 31.708 1.00 47.28 O HETATM 3197 O HOH B1330 6.307 17.519 13.425 1.00 53.74 O HETATM 3198 O HOH B1331 19.723 -17.629 21.815 1.00 47.02 O HETATM 3199 O HOH B1332 10.142 -16.852 5.820 1.00 52.56 O HETATM 3200 O HOH B1333 2.498 -14.978 13.606 1.00 41.82 O HETATM 3201 O HOH B1334 4.385 12.958 28.171 1.00 39.98 O HETATM 3202 O HOH B1335 -3.462 1.755 -1.191 1.00 46.78 O HETATM 3203 O HOH B1336 -7.977 1.690 -2.471 1.00 35.00 O HETATM 3204 O HOH B1337 -7.053 6.463 25.555 1.00 40.24 O HETATM 3205 O HOH B1338 6.860 -16.439 29.521 1.00 55.33 O HETATM 3206 O HOH B1339 14.414 13.929 20.056 1.00 39.47 O HETATM 3207 O HOH B1340 5.456 -15.673 14.125 1.00 46.50 O HETATM 3208 O HOH B1341 6.982 20.605 11.243 1.00 50.47 O HETATM 3209 O HOH B1342 -0.125 -1.888 32.981 1.00 51.63 O HETATM 3210 O HOH B1343 19.605 -16.716 26.055 1.00 37.35 O HETATM 3211 O HOH B1344 16.799 11.012 -5.123 1.00 55.24 O HETATM 3212 O HOH B1345 16.172 17.264 3.362 1.00 45.51 O HETATM 3213 O HOH B1346 27.149 -8.527 19.467 1.00 45.95 O HETATM 3214 O HOH B1347 30.223 -5.821 13.839 1.00 45.94 O HETATM 3215 O HOH B1348 -0.299 12.020 11.332 1.00 26.52 O HETATM 3216 O HOH B1349 1.068 -4.914 -5.053 1.00 23.39 O HETATM 3217 O HOH B1350 5.407 -12.951 14.991 1.00 24.81 O HETATM 3218 O HOH B1351 15.247 -16.969 21.310 1.00 26.84 O HETATM 3219 O HOH B1352 3.462 9.298 28.791 1.00 37.24 O HETATM 3220 O HOH B1353 11.002 -4.794 -7.707 1.00 27.54 O HETATM 3221 O HOH B1354 23.231 6.469 2.863 1.00 26.33 O HETATM 3222 O HOH B1355 12.355 -16.548 11.543 1.00 28.55 O HETATM 3223 O HOH B1356 29.478 -4.941 21.439 1.00 37.83 O HETATM 3224 O HOH B1357 29.298 -4.371 23.828 1.00 51.97 O HETATM 3225 O HOH B1358 28.360 -2.382 27.741 1.00 48.71 O HETATM 3226 O HOH B1359 25.301 4.775 6.659 1.00 39.70 O HETATM 3227 O HOH B1360 -6.639 12.409 0.569 1.00 41.58 O HETATM 3228 O HOH B1361 31.299 -8.344 23.605 1.00 50.20 O HETATM 3229 O HOH B1362 8.379 -17.108 14.539 1.00 39.15 O HETATM 3230 O HOH B1363 22.386 -4.253 -1.573 1.00 42.06 O HETATM 3231 O HOH B1364 24.805 -3.590 -2.669 1.00 59.94 O HETATM 3232 O HOH B1365 15.057 -16.111 3.901 1.00 55.36 O HETATM 3233 O HOH B1366 10.349 0.260 -14.596 1.00 51.58 O HETATM 3234 O HOH B1367 7.637 -14.446 23.356 1.00 36.32 O HETATM 3235 O HOH B1368 28.797 -13.420 10.541 1.00 50.36 O HETATM 3236 O HOH B1369 17.624 -16.866 22.532 1.00 40.82 O HETATM 3237 O HOH B1370 18.809 18.780 12.171 1.00 41.13 O HETATM 3238 O HOH B1371 17.523 16.553 12.674 1.00 47.05 O HETATM 3239 O HOH B1372 14.872 15.225 15.946 1.00 46.75 O HETATM 3240 O HOH B1373 27.077 -3.628 -0.159 1.00 56.82 O HETATM 3241 O HOH B1374 6.284 -5.599 -7.055 1.00 42.48 O HETATM 3242 O HOH B1375 28.328 -8.482 21.829 1.00 44.35 O HETATM 3243 O HOH B1376 23.092 -8.635 -0.491 1.00 47.61 O HETATM 3244 O HOH B1377 15.860 3.001 -7.709 1.00 41.31 O HETATM 3245 O HOH B1378 23.501 -17.511 8.683 1.00 42.83 O HETATM 3246 O HOH B1379 30.589 -10.477 11.538 1.00 50.52 O HETATM 3247 O HOH B1380 22.801 0.818 32.880 1.00 50.45 O HETATM 3248 O HOH B1381 26.234 3.983 27.099 1.00 28.50 O HETATM 3249 O HOH B1382 -4.576 4.448 -4.514 1.00 44.08 O HETATM 3250 O HOH B1383 -3.710 3.032 22.483 1.00 18.56 O HETATM 3251 O HOH B1384 24.528 -12.647 33.018 1.00 48.52 O HETATM 3252 O HOH B1385 -0.321 11.828 27.633 1.00 63.21 O HETATM 3253 O HOH B1386 -2.792 -4.021 -6.744 1.00 41.43 O HETATM 3254 O HOH B1387 17.529 -3.021 34.837 1.00 39.99 O HETATM 3255 O HOH B1388 18.447 -16.739 3.205 1.00 55.13 O HETATM 3256 O HOH B1389 22.930 -15.507 22.311 1.00 50.40 O HETATM 3257 O HOH B1390 18.628 2.364 31.613 1.00 29.95 O HETATM 3258 O HOH B1391 8.633 8.445 -9.132 1.00 31.89 O HETATM 3259 O HOH B1392 -4.624 -8.462 -1.373 1.00 20.07 O HETATM 3260 O HOH B1393 0.853 10.863 25.521 1.00 31.42 O CONECT 502 2695 CONECT 1102 1420 CONECT 1363 1677 CONECT 1420 1102 CONECT 1677 1363 CONECT 1762 2667 CONECT 1763 2667 CONECT 2145 2592 CONECT 2592 2145 CONECT 2667 1762 1763 2668 2678 CONECT 2668 2667 2669 2675 CONECT 2669 2668 2670 2676 CONECT 2670 2669 2671 2677 CONECT 2671 2670 2672 2678 CONECT 2672 2671 2679 CONECT 2673 2674 2675 2680 CONECT 2674 2673 CONECT 2675 2668 2673 CONECT 2676 2669 CONECT 2677 2670 2681 CONECT 2678 2667 2671 CONECT 2679 2672 CONECT 2680 2673 CONECT 2681 2677 2682 2692 CONECT 2682 2681 2683 2689 CONECT 2683 2682 2684 2690 CONECT 2684 2683 2685 2691 CONECT 2685 2684 2686 2692 CONECT 2686 2685 2693 CONECT 2687 2688 2689 2694 CONECT 2688 2687 CONECT 2689 2682 2687 CONECT 2690 2683 CONECT 2691 2684 CONECT 2692 2681 2685 CONECT 2693 2686 CONECT 2694 2687 CONECT 2695 502 2716 2786 2954 CONECT 2695 2957 CONECT 2716 2695 CONECT 2786 2695 CONECT 2954 2695 CONECT 2957 2695 MASTER 319 0 4 12 20 0 0 6 3142 2 43 26 END
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Related entries of code: 2nqd
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2oul
RCSB PDB
PDBbind
110aa, >2OUL_2|Chain... *
3e1z
RCSB PDB
PDBbind
110aa, >3E1Z_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
2nqd
Complex Type
Protein-Protein
PDBbind Subset
general set
Protein Name
human cathepsin L
Ligand Name
cysteine protease inhibitor, chagasin
EC.Number
E.C.3.4.22.15
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
Ki=39pM
Release Year
2007
Protein/NA Sequence
Check fasta file
Primary Reference
Journal of molecular biology. (2007) 371, pp. 137-53
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P07711
Q966X9
Entrez Gene ID
NCBI Entrez Gene ID:
1514
ASD
Information of known allosteric effects of PDB entries
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