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*** SUGAR BINDING PROTEIN 10-JUL-21 7RDP ***elNémo ID: 2403301821521607471Job options:ID = 2403301821521607471 JOBID = SUGAR BINDING PROTEIN 10-JUL-21 7RDP USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -50 DQMAX = 50 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER SUGAR BINDING PROTEIN 10-JUL-21 7RDP TITLE CRYSTAL STRUCTURE OF HUMAN GALECTIN-3 CRD IN COMPLEX WITH TITLE 2 SELENODIGALACTOSIDE COMPND MOL_ID: 1; COMPND 2 MOLECULE: GALECTIN-3; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: GAL-3, 35 KDA LECTIN, CARBOHYDRATE-BINDING PROTEIN 35, CBP COMPND 5 35, GALACTOSE-SPECIFIC LECTIN 3, GALACTOSIDE-BINDING PROTEIN, GALBP, COMPND 6 IGE-BINDING PROTEIN, L-31, LAMININ-BINDING PROTEIN, LECTIN L-29, MAC- COMPND 7 2 ANTIGEN; COMPND 8 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: LGALS3, MAC2; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008 KEYWDS GALECTIN, CARBOHYDRATE-BINDING PROTEIN, SUGAR BINDING PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR C.KISHOR,R.M.GO,H.BLANCHARD REVDAT 3 18-OCT-23 7RDP 1 REMARK REVDAT 2 20-JUL-22 7RDP 1 JRNL REVDAT 1 13-JUL-22 7RDP 0 JRNL AUTH M.RAICS,A.K.BALOGH,C.KISHOR,I.TIMARI,F.J.MEDRANO,A.ROMERO, JRNL AUTH 2 R.M.GO,H.BLANCHARD,L.SZILAGYI,K.E KOVER,K.FEHER JRNL TITL INVESTIGATION OF THE MOLECULAR DETAILS OF THE INTERACTIONS JRNL TITL 2 OF SELENOGLYCOSIDES AND HUMAN GALECTIN-3. JRNL REF INT J MOL SCI V. 23 2022 JRNL REFN ESSN 1422-0067 JRNL PMID 35269646 JRNL DOI 10.3390/IJMS23052494 REMARK 2 REMARK 2 RESOLUTION. 1.96 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.8.0253 REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, REMARK 3 : NICHOLLS,WINN,LONG,VAGIN REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.96 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.86 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 91.4 REMARK 3 NUMBER OF REFLECTIONS : 9287 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : FREE R-VALUE REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING + TEST SET) : NULL REMARK 3 R VALUE (WORKING SET) : 0.150 REMARK 3 FREE R VALUE : 0.183 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.050 REMARK 3 FREE R VALUE TEST SET COUNT : 469 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.96 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.01 REMARK 3 REFLECTION IN BIN (WORKING SET) : 562 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 82.26 REMARK 3 BIN R VALUE (WORKING SET) : 0.1670 REMARK 3 BIN FREE R VALUE SET COUNT : 41 REMARK 3 BIN FREE R VALUE : 0.2520 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1112 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 24 REMARK 3 SOLVENT ATOMS : 60 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 17.16 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.00200 REMARK 3 B22 (A**2) : 0.00100 REMARK 3 B33 (A**2) : 0.00100 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.174 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.141 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.089 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 3.130 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.964 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.954 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1207 ; 0.012 ; 0.013 REMARK 3 BOND LENGTHS OTHERS (A): 1115 ; 0.001 ; 0.017 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1652 ; 1.629 ; 1.675 REMARK 3 BOND ANGLES OTHERS (DEGREES): 2606 ; 1.311 ; 1.606 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 152 ; 8.157 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 69 ;32.653 ;22.464 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 203 ;12.658 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 9 ;11.471 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 162 ; 0.079 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1355 ; 0.009 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 248 ; 0.001 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 141 ; 0.202 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): 20 ; 0.152 ; 0.200 REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 563 ; 0.157 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 41 ; 0.114 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL 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): 575 ; 1.680 ; 1.603 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 574 ; 1.671 ; 1.601 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 723 ; 2.668 ; 2.385 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): 724 ; 2.668 ; 2.388 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 632 ; 2.461 ; 1.937 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): 633 ; 2.459 ; 1.938 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 924 ; 3.971 ; 2.796 REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): 925 ; 3.969 ; 2.797 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 : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK BULK SOLVENT REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THEIR REMARK 3 RIDING POSITIONS REMARK 4 REMARK 4 7RDP COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-JUL-21. REMARK 100 THE DEPOSITION ID IS D_1000258067. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 19-JUL-16 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : AUSTRALIAN SYNCHROTRON REMARK 200 BEAMLINE : MX1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9737 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 210 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 9287 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.959 REMARK 200 RESOLUTION RANGE LOW (A) : 30.862 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 91.3 REMARK 200 DATA REDUNDANCY : 4.200 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 20.5400 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.96 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.03 REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 5.450 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: 6B8K REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 42.25 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.13 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 31% PEG 3100, 100 MM TRIS-HCL PH 7.5, REMARK 280 100 MM MGCL2, 8 MM 2-MERCAPTOETHANOL, VAPOR DIFFUSION, HANGING REMARK 280 DROP, TEMPERATURE 297K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 18.20550 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 31.76550 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 29.01700 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 31.76550 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 18.20550 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 29.01700 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ARG A 129 2.74 82.72 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 PRO A 113 LEU A 114 144.23 REMARK 500 REMARK 500 REMARK: NULL DBREF 7RDP A 112 250 UNP P17931 LEG3_HUMAN 112 250 SEQRES 1 A 139 GLY PRO LEU ILE VAL PRO TYR ASN LEU PRO LEU PRO GLY SEQRES 2 A 139 GLY VAL VAL PRO ARG MET LEU ILE THR ILE LEU GLY THR SEQRES 3 A 139 VAL LYS PRO ASN ALA ASN ARG ILE ALA LEU ASP PHE GLN SEQRES 4 A 139 ARG GLY ASN ASP VAL ALA PHE HIS PHE ASN PRO ARG PHE SEQRES 5 A 139 ASN GLU ASN ASN ARG ARG VAL ILE VAL CYS ASN THR LYS SEQRES 6 A 139 LEU ASP ASN ASN TRP GLY ARG GLU GLU ARG GLN SER VAL SEQRES 7 A 139 PHE PRO PHE GLU SER GLY LYS PRO PHE LYS ILE GLN VAL SEQRES 8 A 139 LEU VAL GLU PRO ASP HIS PHE LYS VAL ALA VAL ASN ASP SEQRES 9 A 139 ALA HIS LEU LEU GLN TYR ASN HIS ARG VAL LYS LYS LEU SEQRES 10 A 139 ASN GLU ILE SER LYS LEU GLY ILE SER GLY ASP ILE ASP SEQRES 11 A 139 LEU THR SER ALA SER TYR THR MET ILE HET 4IZ A 301 23 HET CL A 302 1 HETNAM 4IZ BETA-D-GALACTOPYRANOSYL 1-SELENO-BETA-D- HETNAM 2 4IZ GALACTOPYRANOSIDE HETNAM CL CHLORIDE ION FORMUL 2 4IZ C12 H22 O10 SE FORMUL 3 CL CL 1- FORMUL 4 HOH *60(H2 O) HELIX 1 AA1 LYS A 227 ILE A 231 5 5 SHEET 1 AA1 6 TYR A 118 PRO A 121 0 SHEET 2 AA1 6 LYS A 233 GLY A 238 -1 O LEU A 234 N LEU A 120 SHEET 3 AA1 6 ILE A 145 ARG A 151 -1 N GLN A 150 O LYS A 233 SHEET 4 AA1 6 ASP A 154 GLU A 165 -1 O PHE A 157 N PHE A 149 SHEET 5 AA1 6 ARG A 168 LEU A 177 -1 O VAL A 170 N ARG A 162 SHEET 6 AA1 6 ASN A 180 TRP A 181 -1 O ASN A 180 N LEU A 177 SHEET 1 AA2 6 TYR A 118 PRO A 121 0 SHEET 2 AA2 6 LYS A 233 GLY A 238 -1 O LEU A 234 N LEU A 120 SHEET 3 AA2 6 ILE A 145 ARG A 151 -1 N GLN A 150 O LYS A 233 SHEET 4 AA2 6 ASP A 154 GLU A 165 -1 O PHE A 157 N PHE A 149 SHEET 5 AA2 6 ARG A 168 LEU A 177 -1 O VAL A 170 N ARG A 162 SHEET 6 AA2 6 GLU A 185 GLN A 187 -1 O GLU A 185 N CYS A 173 SHEET 1 AA3 5 ALA A 216 ASN A 222 0 SHEET 2 AA3 5 HIS A 208 VAL A 213 -1 N VAL A 211 O LEU A 219 SHEET 3 AA3 5 PRO A 197 VAL A 204 -1 N GLN A 201 O ALA A 212 SHEET 4 AA3 5 MET A 130 VAL A 138 -1 N ILE A 134 O ILE A 200 SHEET 5 AA3 5 ILE A 240 MET A 249 -1 O THR A 248 N LEU A 131 CISPEP 1 VAL A 116 PRO A 117 0 -5.39 CRYST1 36.411 58.034 63.531 90.00 90.00 90.00 P 21 21 21 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.027464 0.000000 0.000000 0.00000 SCALE2 0.000000 0.017231 0.000000 0.00000 SCALE3 0.000000 0.000000 0.015740 0.00000 ATOM 1 N GLY A 112 -8.822 -4.563 12.501 1.00 85.38 N ATOM 2 CA GLY A 112 -7.399 -4.713 12.943 1.00 84.66 C ATOM 3 C GLY A 112 -6.401 -4.497 11.803 1.00 79.94 C ATOM 4 O GLY A 112 -5.755 -3.448 11.712 1.00 74.46 O ATOM 5 N PRO A 113 -6.244 -5.479 10.885 1.00 65.42 N ATOM 6 CA PRO A 113 -5.091 -5.489 9.988 1.00 59.47 C ATOM 7 C PRO A 113 -5.076 -4.357 8.943 1.00 49.86 C ATOM 8 O PRO A 113 -6.099 -3.721 8.700 1.00 47.78 O ATOM 9 CB PRO A 113 -5.185 -6.863 9.292 1.00 65.52 C ATOM 10 CG PRO A 113 -6.662 -7.225 9.355 1.00 67.26 C ATOM 11 CD PRO A 113 -7.168 -6.605 10.647 1.00 68.29 C ATOM 12 N LEU A 114 -3.888 -4.097 8.401 1.00 32.92 N ATOM 13 CA LEU A 114 -3.680 -3.695 6.993 1.00 28.27 C ATOM 14 C LEU A 114 -3.158 -4.934 6.264 1.00 27.26 C ATOM 15 O LEU A 114 -2.690 -5.861 6.955 1.00 28.19 O ATOM 16 CB LEU A 114 -2.695 -2.526 6.920 1.00 27.09 C ATOM 17 CG LEU A 114 -3.109 -1.245 7.644 1.00 27.92 C ATOM 18 CD1 LEU A 114 -1.956 -0.256 7.683 1.00 28.60 C ATOM 19 CD2 LEU A 114 -4.327 -0.586 6.996 1.00 28.23 C ATOM 20 N ILE A 115 -3.269 -4.966 4.933 1.00 24.76 N ATOM 21 CA ILE A 115 -2.739 -6.036 4.049 1.00 27.25 C ATOM 22 C ILE A 115 -1.241 -5.796 3.883 1.00 25.00 C ATOM 23 O ILE A 115 -0.825 -4.628 3.653 1.00 24.10 O ATOM 24 CB ILE A 115 -3.449 -6.058 2.668 1.00 32.08 C ATOM 25 CG1 ILE A 115 -4.930 -6.438 2.765 1.00 37.90 C ATOM 26 CG2 ILE A 115 -2.710 -6.953 1.682 1.00 35.63 C ATOM 27 CD1 ILE A 115 -5.268 -7.416 3.882 1.00 39.70 C ATOM 28 N VAL A 116 -0.469 -6.870 3.919 1.00 20.96 N ATOM 29 CA VAL A 116 0.973 -6.864 3.566 1.00 23.22 C ATOM 30 C VAL A 116 1.113 -7.673 2.278 1.00 22.33 C ATOM 31 O VAL A 116 0.497 -8.728 2.171 1.00 24.08 O ATOM 32 CB VAL A 116 1.768 -7.444 4.750 1.00 25.21 C ATOM 33 CG1 VAL A 116 3.260 -7.490 4.490 1.00 26.78 C ATOM 34 CG2 VAL A 116 1.501 -6.648 6.013 1.00 26.58 C ATOM 35 N PRO A 117 1.924 -7.283 1.276 1.00 20.37 N ATOM 36 CA PRO A 117 2.661 -6.014 1.250 1.00 19.52 C ATOM 37 C PRO A 117 1.763 -4.778 1.165 1.00 18.99 C ATOM 38 O PRO A 117 0.695 -4.818 0.606 1.00 18.55 O ATOM 39 CB PRO A 117 3.536 -6.099 -0.019 1.00 20.32 C ATOM 40 CG PRO A 117 2.922 -7.193 -0.849 1.00 21.53 C ATOM 41 CD PRO A 117 2.286 -8.138 0.138 1.00 20.80 C ATOM 42 N TYR A 118 2.185 -3.696 1.812 1.00 18.01 N ATOM 43 CA TYR A 118 1.417 -2.440 1.878 1.00 18.05 C ATOM 44 C TYR A 118 2.253 -1.336 1.227 1.00 17.77 C ATOM 45 O TYR A 118 3.467 -1.258 1.418 1.00 16.59 O ATOM 46 CB TYR A 118 1.077 -2.110 3.327 1.00 17.95 C ATOM 47 CG TYR A 118 0.101 -0.985 3.485 1.00 21.04 C ATOM 48 CD1 TYR A 118 -1.247 -1.211 3.361 1.00 22.12 C ATOM 49 CD2 TYR A 118 0.528 0.300 3.800 1.00 23.76 C ATOM 50 CE1 TYR A 118 -2.159 -0.191 3.523 1.00 23.74 C ATOM 51 CE2 TYR A 118 -0.376 1.335 3.972 1.00 23.57 C ATOM 52 CZ TYR A 118 -1.724 1.081 3.816 1.00 23.72 C ATOM 53 OH TYR A 118 -2.647 2.066 3.975 1.00 26.09 O ATOM 54 N ASN A 119 1.591 -0.490 0.461 1.00 18.82 N ATOM 55 CA ASN A 119 2.228 0.671 -0.213 1.00 20.49 C ATOM 56 C ASN A 119 1.615 1.932 0.384 1.00 19.84 C ATOM 57 O ASN A 119 0.380 2.111 0.257 1.00 21.25 O ATOM 58 CB ASN A 119 2.030 0.577 -1.725 1.00 26.56 C ATOM 59 CG ASN A 119 2.934 -0.468 -2.346 1.00 34.81 C ATOM 60 OD1 ASN A 119 2.445 -1.403 -2.978 1.00 47.82 O ATOM 61 ND2 ASN A 119 4.243 -0.343 -2.152 1.00 37.53 N ATOM 62 N LEU A 120 2.414 2.715 1.092 1.00 16.83 N ATOM 63 CA LEU A 120 2.000 4.020 1.638 1.00 16.85 C ATOM 64 C LEU A 120 2.559 5.102 0.725 1.00 16.44 C ATOM 65 O LEU A 120 3.776 5.279 0.656 1.00 15.13 O ATOM 66 CB LEU A 120 2.548 4.147 3.065 1.00 17.23 C ATOM 67 CG LEU A 120 2.222 5.444 3.795 1.00 18.05 C ATOM 68 CD1 LEU A 120 0.735 5.555 4.072 1.00 18.87 C ATOM 69 CD2 LEU A 120 3.007 5.530 5.086 1.00 18.80 C ATOM 70 N PRO A 121 1.686 5.873 0.042 1.00 17.63 N ATOM 71 CA PRO A 121 2.125 7.045 -0.702 1.00 16.18 C ATOM 72 C PRO A 121 2.645 8.134 0.243 1.00 14.16 C ATOM 73 O PRO A 121 2.140 8.286 1.321 1.00 13.46 O ATOM 74 CB PRO A 121 0.893 7.538 -1.489 1.00 18.70 C ATOM 75 CG PRO A 121 -0.236 6.573 -1.178 1.00 19.49 C ATOM 76 CD PRO A 121 0.238 5.606 -0.116 1.00 19.16 C ATOM 77 N LEU A 122 3.714 8.793 -0.186 1.00 12.20 N ATOM 78 CA LEU A 122 4.341 9.958 0.470 1.00 12.38 C ATOM 79 C LEU A 122 4.198 11.093 -0.535 1.00 12.02 C ATOM 80 O LEU A 122 5.062 11.322 -1.385 1.00 11.56 O ATOM 81 CB LEU A 122 5.802 9.620 0.825 1.00 12.39 C ATOM 82 CG LEU A 122 6.027 8.276 1.539 1.00 13.02 C ATOM 83 CD1 LEU A 122 7.515 7.966 1.724 1.00 13.61 C ATOM 84 CD2 LEU A 122 5.323 8.271 2.875 1.00 13.86 C ATOM 85 N PRO A 123 3.050 11.804 -0.516 1.00 13.16 N ATOM 86 CA PRO A 123 2.754 12.830 -1.514 1.00 12.69 C ATOM 87 C PRO A 123 3.817 13.936 -1.571 1.00 11.84 C ATOM 88 O PRO A 123 4.044 14.648 -0.620 1.00 12.24 O ATOM 89 CB PRO A 123 1.398 13.404 -1.042 1.00 13.86 C ATOM 90 CG PRO A 123 0.776 12.297 -0.227 1.00 13.26 C ATOM 91 CD PRO A 123 1.961 11.669 0.473 1.00 13.63 C ATOM 92 N GLY A 124 4.469 14.100 -2.717 1.00 12.20 N ATOM 93 CA GLY A 124 5.490 15.156 -2.867 1.00 11.17 C ATOM 94 C GLY A 124 6.788 14.784 -2.185 1.00 10.77 C ATOM 95 O GLY A 124 7.643 15.627 -2.068 1.00 10.55 O ATOM 96 N GLY A 125 6.931 13.524 -1.811 1.00 11.53 N ATOM 97 CA GLY A 125 8.161 12.902 -1.320 1.00 12.68 C ATOM 98 C GLY A 125 8.383 13.212 0.131 1.00 13.31 C ATOM 99 O GLY A 125 7.486 13.687 0.792 1.00 15.30 O ATOM 100 N VAL A 126 9.578 12.988 0.603 1.00 14.42 N ATOM 101 CA VAL A 126 9.910 13.190 2.032 1.00 14.42 C ATOM 102 C VAL A 126 10.585 14.536 2.173 1.00 15.15 C ATOM 103 O VAL A 126 11.081 15.101 1.151 1.00 15.16 O ATOM 104 CB VAL A 126 10.731 12.024 2.606 1.00 14.28 C ATOM 105 CG1 VAL A 126 9.948 10.723 2.498 1.00 15.76 C ATOM 106 CG2 VAL A 126 12.083 11.867 1.944 1.00 14.37 C ATOM 107 N VAL A 127 10.599 15.005 3.407 1.00 15.50 N ATOM 108 CA VAL A 127 11.147 16.317 3.794 1.00 16.97 C ATOM 109 C VAL A 127 11.661 16.138 5.220 1.00 17.27 C ATOM 110 O VAL A 127 11.090 15.351 5.989 1.00 14.86 O ATOM 111 CB VAL A 127 10.031 17.376 3.653 1.00 21.33 C ATOM 112 CG1 VAL A 127 8.953 17.208 4.714 1.00 22.77 C ATOM 113 CG2 VAL A 127 10.562 18.795 3.660 1.00 23.82 C ATOM 114 N PRO A 128 12.720 16.878 5.617 1.00 15.23 N ATOM 115 CA PRO A 128 13.140 16.921 7.004 1.00 16.51 C ATOM 116 C PRO A 128 11.943 17.294 7.888 1.00 15.89 C ATOM 117 O PRO A 128 11.110 18.074 7.459 1.00 15.57 O ATOM 118 CB PRO A 128 14.312 17.932 7.017 1.00 16.94 C ATOM 119 CG PRO A 128 14.842 17.888 5.583 1.00 17.16 C ATOM 120 CD PRO A 128 13.582 17.705 4.750 1.00 17.31 C ATOM 121 N ARG A 129 11.882 16.665 9.058 1.00 16.04 N ATOM 122 CA ARG A 129 10.825 16.783 10.105 1.00 18.68 C ATOM 123 C ARG A 129 9.610 15.897 9.810 1.00 18.37 C ATOM 124 O ARG A 129 8.677 15.916 10.630 1.00 18.74 O ATOM 125 CB ARG A 129 10.472 18.249 10.324 1.00 22.60 C ATOM 126 CG ARG A 129 11.667 18.993 10.903 1.00 28.09 C ATOM 127 CD ARG A 129 11.394 20.451 11.198 1.00 34.28 C ATOM 128 NE ARG A 129 10.494 20.574 12.328 1.00 38.17 N ATOM 129 CZ ARG A 129 10.127 21.719 12.905 1.00 44.16 C ATOM 130 NH1 ARG A 129 10.613 22.880 12.486 1.00 46.81 N ATOM 131 NH2 ARG A 129 9.275 21.692 13.919 1.00 42.57 N ATOM 132 N MET A 130 9.627 15.100 8.736 1.00 16.86 N ATOM 133 CA MET A 130 8.568 14.107 8.464 1.00 16.44 C ATOM 134 C MET A 130 8.840 12.847 9.302 1.00 14.34 C ATOM 135 O MET A 130 9.941 12.291 9.203 1.00 12.77 O ATOM 136 CB MET A 130 8.538 13.760 6.981 1.00 18.90 C ATOM 137 CG MET A 130 7.396 12.884 6.593 1.00 22.67 C ATOM 138 SD MET A 130 7.283 12.754 4.804 1.00 24.51 S ATOM 139 CE MET A 130 5.649 12.028 4.676 1.00 24.53 C ATOM 140 N LEU A 131 7.868 12.452 10.131 1.00 14.05 N ATOM 141 CA LEU A 131 7.927 11.264 11.017 1.00 14.40 C ATOM 142 C LEU A 131 6.976 10.181 10.490 1.00 14.55 C ATOM 143 O LEU A 131 5.772 10.430 10.382 1.00 13.64 O ATOM 144 CB LEU A 131 7.604 11.671 12.454 1.00 15.22 C ATOM 145 CG LEU A 131 7.627 10.536 13.476 1.00 15.54 C ATOM 146 CD1 LEU A 131 9.047 10.050 13.668 1.00 17.98 C ATOM 147 CD2 LEU A 131 7.013 10.975 14.811 1.00 17.33 C ATOM 148 N ILE A 132 7.520 9.000 10.203 1.00 13.74 N ATOM 149 CA ILE A 132 6.734 7.847 9.720 1.00 14.14 C ATOM 150 C ILE A 132 6.706 6.816 10.832 1.00 14.17 C ATOM 151 O ILE A 132 7.774 6.492 11.327 1.00 12.99 O ATOM 152 CB ILE A 132 7.275 7.304 8.399 1.00 16.71 C ATOM 153 CG1 ILE A 132 7.272 8.416 7.346 1.00 18.61 C ATOM 154 CG2 ILE A 132 6.466 6.071 7.980 1.00 17.41 C ATOM 155 CD1 ILE A 132 8.436 8.388 6.443 1.00 22.34 C ATOM 156 N THR A 133 5.500 6.406 11.238 1.00 13.44 N ATOM 157 CA THR A 133 5.288 5.441 12.334 1.00 13.77 C ATOM 158 C THR A 133 4.622 4.189 11.760 1.00 14.12 C ATOM 159 O THR A 133 3.560 4.301 11.111 1.00 14.08 O ATOM 160 CB THR A 133 4.478 6.062 13.475 1.00 14.01 C ATOM 161 OG1 THR A 133 5.142 7.250 13.906 1.00 13.94 O ATOM 162 CG2 THR A 133 4.334 5.112 14.642 1.00 14.58 C ATOM 163 N ILE A 134 5.224 3.036 12.016 1.00 14.44 N ATOM 164 CA ILE A 134 4.743 1.699 11.575 1.00 15.71 C ATOM 165 C ILE A 134 4.550 0.864 12.831 1.00 16.08 C ATOM 166 O ILE A 134 5.543 0.763 13.622 1.00 13.96 O ATOM 167 CB ILE A 134 5.724 1.057 10.578 1.00 16.70 C ATOM 168 CG1 ILE A 134 5.907 1.977 9.369 1.00 19.56 C ATOM 169 CG2 ILE A 134 5.264 -0.332 10.158 1.00 16.72 C ATOM 170 CD1 ILE A 134 7.138 1.708 8.601 1.00 23.44 C ATOM 171 N LEU A 135 3.321 0.378 13.050 1.00 14.64 N ATOM 172 CA LEU A 135 2.974 -0.484 14.203 1.00 15.45 C ATOM 173 C LEU A 135 2.628 -1.857 13.647 1.00 14.71 C ATOM 174 O LEU A 135 1.854 -1.957 12.667 1.00 14.07 O ATOM 175 CB LEU A 135 1.790 0.077 14.994 1.00 18.84 C ATOM 176 CG LEU A 135 2.048 1.365 15.764 1.00 22.67 C ATOM 177 CD1 LEU A 135 0.735 1.921 16.286 1.00 25.23 C ATOM 178 CD2 LEU A 135 3.037 1.125 16.905 1.00 23.27 C ATOM 179 N GLY A 136 3.137 -2.896 14.263 1.00 13.09 N ATOM 180 CA GLY A 136 2.807 -4.244 13.782 1.00 14.13 C ATOM 181 C GLY A 136 3.185 -5.275 14.807 1.00 13.36 C ATOM 182 O GLY A 136 3.615 -4.871 15.918 1.00 14.12 O ATOM 183 N THR A 137 3.035 -6.533 14.439 1.00 13.32 N ATOM 184 CA THR A 137 3.519 -7.675 15.234 1.00 13.65 C ATOM 185 C THR A 137 4.301 -8.584 14.303 1.00 13.61 C ATOM 186 O THR A 137 3.850 -8.860 13.148 1.00 11.35 O ATOM 187 CB THR A 137 2.372 -8.429 15.925 1.00 15.45 C ATOM 188 OG1 THR A 137 1.683 -7.474 16.711 1.00 16.85 O ATOM 189 CG2 THR A 137 2.822 -9.550 16.841 1.00 16.01 C ATOM 190 N VAL A 138 5.461 -9.006 14.788 1.00 12.77 N ATOM 191 CA VAL A 138 6.307 -9.950 14.038 1.00 13.54 C ATOM 192 C VAL A 138 5.634 -11.310 14.164 1.00 14.71 C ATOM 193 O VAL A 138 5.303 -11.707 15.322 1.00 15.19 O ATOM 194 CB VAL A 138 7.758 -10.006 14.537 1.00 12.37 C ATOM 195 CG1 VAL A 138 8.564 -10.894 13.622 1.00 12.67 C ATOM 196 CG2 VAL A 138 8.394 -8.626 14.625 1.00 13.32 C ATOM 197 N LYS A 139 5.506 -12.009 13.038 1.00 16.39 N ATOM 198 CA LYS A 139 4.918 -13.364 13.034 1.00 20.17 C ATOM 199 C LYS A 139 5.876 -14.270 13.804 1.00 20.66 C ATOM 200 O LYS A 139 7.086 -14.057 13.824 1.00 16.98 O ATOM 201 CB LYS A 139 4.665 -13.824 11.601 1.00 21.60 C ATOM 202 CG LYS A 139 3.499 -13.109 10.931 1.00 26.86 C ATOM 203 CD LYS A 139 3.390 -13.405 9.465 1.00 31.03 C ATOM 204 CE LYS A 139 2.008 -13.089 8.939 1.00 38.20 C ATOM 205 NZ LYS A 139 1.769 -13.773 7.648 1.00 42.54 N ATOM 206 N PRO A 140 5.362 -15.345 14.423 1.00 24.35 N ATOM 207 CA PRO A 140 6.238 -16.381 14.973 1.00 25.52 C ATOM 208 C PRO A 140 7.034 -16.979 13.807 1.00 23.71 C ATOM 209 O PRO A 140 6.502 -17.091 12.730 1.00 27.94 O ATOM 210 CB PRO A 140 5.273 -17.422 15.584 1.00 24.65 C ATOM 211 CG PRO A 140 3.921 -16.732 15.636 1.00 25.56 C ATOM 212 CD PRO A 140 3.935 -15.653 14.565 1.00 23.67 C ATOM 213 N ASN A 141 8.278 -17.354 13.997 1.00 26.41 N ATOM 214 CA ASN A 141 9.062 -17.969 12.875 1.00 30.20 C ATOM 215 C ASN A 141 9.227 -17.009 11.685 1.00 24.74 C ATOM 216 O ASN A 141 9.383 -17.469 10.550 1.00 22.76 O ATOM 217 CB ASN A 141 8.436 -19.270 12.365 1.00 35.17 C ATOM 218 CG ASN A 141 8.157 -20.228 13.499 1.00 39.59 C ATOM 219 OD1 ASN A 141 9.023 -20.445 14.354 1.00 43.48 O ATOM 220 ND2 ASN A 141 6.941 -20.746 13.541 1.00 40.36 N ATOM 221 N ALA A 142 9.262 -15.709 11.935 1.00 20.96 N ATOM 222 CA ALA A 142 9.582 -14.702 10.904 1.00 18.79 C ATOM 223 C ALA A 142 10.974 -14.968 10.328 1.00 17.16 C ATOM 224 O ALA A 142 11.864 -15.391 11.069 1.00 16.94 O ATOM 225 CB ALA A 142 9.488 -13.323 11.511 1.00 17.94 C ATOM 226 N ASN A 143 11.143 -14.679 9.044 1.00 17.40 N ATOM 227 CA AASN A 143 12.455 -14.718 8.349 0.50 18.13 C ATOM 228 CA BASN A 143 12.443 -14.717 8.317 0.50 18.08 C ATOM 229 C ASN A 143 12.913 -13.281 8.048 1.00 16.74 C ATOM 230 O ASN A 143 14.064 -13.033 8.138 1.00 15.03 O ATOM 231 CB AASN A 143 12.382 -15.584 7.086 0.50 19.33 C ATOM 232 CB BASN A 143 12.351 -15.442 6.964 0.50 19.13 C ATOM 233 CG AASN A 143 13.736 -15.795 6.449 0.50 20.76 C ATOM 234 CG BASN A 143 12.243 -16.947 7.060 0.50 20.32 C ATOM 235 OD1AASN A 143 14.654 -16.287 7.092 0.50 25.24 O ATOM 236 OD1BASN A 143 12.386 -17.524 8.128 0.50 22.27 O ATOM 237 ND2AASN A 143 13.870 -15.428 5.189 0.50 21.56 N ATOM 238 ND2BASN A 143 11.995 -17.599 5.934 0.50 22.91 N ATOM 239 N ARG A 144 12.012 -12.381 7.669 1.00 17.62 N ATOM 240 CA ARG A 144 12.456 -11.052 7.176 1.00 17.63 C ATOM 241 C ARG A 144 11.356 -10.012 7.357 1.00 15.76 C ATOM 242 O ARG A 144 10.195 -10.374 7.333 1.00 15.52 O ATOM 243 CB ARG A 144 12.870 -11.142 5.708 1.00 20.38 C ATOM 244 CG ARG A 144 11.682 -11.324 4.771 1.00 25.26 C ATOM 245 CD ARG A 144 12.040 -11.440 3.301 1.00 28.93 C ATOM 246 NE ARG A 144 12.702 -10.263 2.720 1.00 28.87 N ATOM 247 CZ ARG A 144 12.101 -9.262 2.062 1.00 30.63 C ATOM 248 NH1 ARG A 144 10.785 -9.184 1.983 1.00 33.68 N ATOM 249 NH2 ARG A 144 12.825 -8.286 1.549 1.00 31.59 N ATOM 250 N ILE A 145 11.770 -8.757 7.507 1.00 14.77 N ATOM 251 CA ILE A 145 10.939 -7.538 7.382 1.00 14.66 C ATOM 252 C ILE A 145 11.663 -6.666 6.346 1.00 14.16 C ATOM 253 O ILE A 145 12.902 -6.663 6.341 1.00 12.71 O ATOM 254 CB ILE A 145 10.812 -6.804 8.737 1.00 15.05 C ATOM 255 CG1 ILE A 145 10.275 -7.706 9.854 1.00 16.51 C ATOM 256 CG2 ILE A 145 9.967 -5.558 8.588 1.00 15.54 C ATOM 257 CD1 ILE A 145 10.435 -7.087 11.244 1.00 17.23 C ATOM 258 N ALA A 146 10.927 -5.897 5.543 1.00 13.10 N ATOM 259 CA ALA A 146 11.552 -4.906 4.643 1.00 12.79 C ATOM 260 C ALA A 146 10.706 -3.640 4.576 1.00 13.37 C ATOM 261 O ALA A 146 9.468 -3.732 4.385 1.00 13.90 O ATOM 262 CB ALA A 146 11.742 -5.527 3.292 1.00 14.19 C ATOM 263 N LEU A 147 11.345 -2.487 4.774 1.00 13.55 N ATOM 264 CA LEU A 147 10.795 -1.171 4.371 1.00 13.06 C ATOM 265 C LEU A 147 11.591 -0.718 3.136 1.00 12.63 C ATOM 266 O LEU A 147 12.846 -0.738 3.166 1.00 12.16 O ATOM 267 CB LEU A 147 10.917 -0.127 5.489 1.00 13.84 C ATOM 268 CG LEU A 147 10.425 -0.526 6.880 1.00 16.19 C ATOM 269 CD1 LEU A 147 10.511 0.645 7.849 1.00 17.30 C ATOM 270 CD2 LEU A 147 9.039 -1.088 6.866 1.00 16.95 C ATOM 271 N ASP A 148 10.870 -0.284 2.109 1.00 11.73 N ATOM 272 CA ASP A 148 11.451 0.161 0.824 1.00 12.07 C ATOM 273 C ASP A 148 10.923 1.566 0.555 1.00 11.66 C ATOM 274 O ASP A 148 9.762 1.718 0.106 1.00 11.33 O ATOM 275 CB ASP A 148 11.114 -0.855 -0.272 1.00 11.97 C ATOM 276 CG ASP A 148 11.937 -2.132 -0.184 1.00 13.28 C ATOM 277 OD1 ASP A 148 13.161 -2.031 -0.233 1.00 14.38 O ATOM 278 OD2 ASP A 148 11.359 -3.183 0.067 1.00 14.84 O ATOM 279 N PHE A 149 11.729 2.579 0.816 1.00 11.85 N ATOM 280 CA PHE A 149 11.430 3.959 0.356 1.00 11.68 C ATOM 281 C PHE A 149 11.851 4.061 -1.113 1.00 12.89 C ATOM 282 O PHE A 149 13.069 3.982 -1.425 1.00 12.16 O ATOM 283 CB PHE A 149 12.179 4.996 1.188 1.00 12.16 C ATOM 284 CG PHE A 149 11.691 5.128 2.604 1.00 12.15 C ATOM 285 CD1 PHE A 149 12.198 4.321 3.611 1.00 12.45 C ATOM 286 CD2 PHE A 149 10.765 6.097 2.937 1.00 12.64 C ATOM 287 CE1 PHE A 149 11.721 4.445 4.910 1.00 13.45 C ATOM 288 CE2 PHE A 149 10.297 6.217 4.223 1.00 12.31 C ATOM 289 CZ PHE A 149 10.787 5.400 5.212 1.00 13.34 C ATOM 290 N GLN A 150 10.890 4.282 -1.999 1.00 12.23 N ATOM 291 CA GLN A 150 11.118 4.182 -3.450 1.00 12.99 C ATOM 292 C GLN A 150 11.091 5.570 -4.090 1.00 11.87 C ATOM 293 O GLN A 150 10.249 6.415 -3.700 1.00 9.69 O ATOM 294 CB GLN A 150 10.064 3.285 -4.077 1.00 16.82 C ATOM 295 CG GLN A 150 10.123 1.885 -3.486 1.00 21.24 C ATOM 296 CD GLN A 150 10.232 0.805 -4.528 1.00 27.43 C ATOM 297 OE1 GLN A 150 10.956 0.916 -5.532 1.00 35.08 O ATOM 298 NE2 GLN A 150 9.521 -0.276 -4.273 1.00 31.15 N ATOM 299 N ARG A 151 12.011 5.765 -5.040 1.00 10.92 N ATOM 300 CA ARG A 151 12.002 6.887 -6.011 1.00 11.02 C ATOM 301 C ARG A 151 11.761 6.256 -7.377 1.00 11.22 C ATOM 302 O ARG A 151 12.740 5.759 -7.960 1.00 10.47 O ATOM 303 CB ARG A 151 13.326 7.645 -5.994 1.00 11.48 C ATOM 304 CG ARG A 151 13.443 8.731 -7.060 1.00 12.45 C ATOM 305 CD ARG A 151 14.650 9.644 -6.919 1.00 14.34 C ATOM 306 NE ARG A 151 14.717 10.506 -8.100 1.00 13.96 N ATOM 307 CZ ARG A 151 15.562 10.359 -9.127 1.00 15.50 C ATOM 308 NH1 ARG A 151 16.511 9.432 -9.115 1.00 15.63 N ATOM 309 NH2 ARG A 151 15.431 11.138 -10.195 1.00 15.67 N ATOM 310 N GLY A 152 10.504 6.120 -7.789 1.00 11.24 N ATOM 311 CA GLY A 152 10.157 5.302 -8.968 1.00 11.89 C ATOM 312 C GLY A 152 10.650 3.866 -8.779 1.00 12.46 C ATOM 313 O GLY A 152 10.389 3.299 -7.699 1.00 13.73 O ATOM 314 N ASN A 153 11.424 3.330 -9.723 1.00 11.47 N ATOM 315 CA ASN A 153 11.970 1.950 -9.627 1.00 11.84 C ATOM 316 C ASN A 153 13.140 1.871 -8.633 1.00 11.31 C ATOM 317 O ASN A 153 13.512 0.759 -8.261 1.00 12.25 O ATOM 318 CB ASN A 153 12.442 1.422 -10.979 1.00 12.25 C ATOM 319 CG ASN A 153 12.859 -0.044 -10.933 1.00 13.81 C ATOM 320 OD1 ASN A 153 12.035 -0.909 -10.630 1.00 13.99 O ATOM 321 ND2 ASN A 153 14.122 -0.322 -11.207 1.00 12.77 N ATOM 322 N ASP A 154 13.792 2.966 -8.303 1.00 10.90 N ATOM 323 CA ASP A 154 14.972 2.965 -7.389 1.00 10.91 C ATOM 324 C ASP A 154 14.496 2.825 -5.945 1.00 11.28 C ATOM 325 O ASP A 154 13.408 3.322 -5.643 1.00 11.57 O ATOM 326 CB ASP A 154 15.809 4.225 -7.572 1.00 11.11 C ATOM 327 CG ASP A 154 16.661 4.212 -8.823 1.00 11.38 C ATOM 328 OD1 ASP A 154 16.700 3.200 -9.512 1.00 12.08 O ATOM 329 OD2 ASP A 154 17.254 5.212 -9.081 1.00 12.17 O ATOM 330 N VAL A 155 15.295 2.185 -5.092 1.00 11.70 N ATOM 331 CA VAL A 155 15.023 2.119 -3.630 1.00 12.37 C ATOM 332 C VAL A 155 16.017 3.050 -2.973 1.00 11.36 C ATOM 333 O VAL A 155 17.252 2.711 -2.958 1.00 12.48 O ATOM 334 CB VAL A 155 15.053 0.691 -3.062 1.00 12.52 C ATOM 335 CG1 VAL A 155 14.693 0.672 -1.586 1.00 13.25 C ATOM 336 CG2 VAL A 155 14.122 -0.243 -3.836 1.00 13.06 C ATOM 337 N ALA A 156 15.533 4.201 -2.508 1.00 10.26 N ATOM 338 CA ALA A 156 16.386 5.199 -1.842 1.00 10.20 C ATOM 339 C ALA A 156 16.947 4.592 -0.567 1.00 10.23 C ATOM 340 O ALA A 156 18.094 4.869 -0.234 1.00 10.71 O ATOM 341 CB ALA A 156 15.649 6.492 -1.549 1.00 10.94 C ATOM 342 N PHE A 157 16.117 3.852 0.154 1.00 10.04 N ATOM 343 CA PHE A 157 16.446 3.321 1.495 1.00 10.26 C ATOM 344 C PHE A 157 15.639 2.051 1.684 1.00 9.99 C ATOM 345 O PHE A 157 14.399 2.114 1.732 1.00 8.89 O ATOM 346 CB PHE A 157 16.131 4.362 2.570 1.00 10.22 C ATOM 347 CG PHE A 157 16.341 3.932 3.987 1.00 10.73 C ATOM 348 CD1 PHE A 157 17.414 3.119 4.348 1.00 11.46 C ATOM 349 CD2 PHE A 157 15.505 4.382 4.990 1.00 11.32 C ATOM 350 CE1 PHE A 157 17.583 2.717 5.664 1.00 12.14 C ATOM 351 CE2 PHE A 157 15.670 3.959 6.298 1.00 10.77 C ATOM 352 CZ PHE A 157 16.734 3.175 6.647 1.00 11.04 C ATOM 353 N HIS A 158 16.373 0.948 1.736 1.00 10.21 N ATOM 354 CA HIS A 158 15.936 -0.438 2.023 1.00 10.09 C ATOM 355 C HIS A 158 16.395 -0.764 3.444 1.00 10.85 C ATOM 356 O HIS A 158 17.616 -0.698 3.728 1.00 10.95 O ATOM 357 CB HIS A 158 16.559 -1.367 0.976 1.00 10.62 C ATOM 358 CG HIS A 158 16.346 -2.836 1.175 1.00 10.96 C ATOM 359 ND1 HIS A 158 15.146 -3.432 0.924 1.00 11.40 N ATOM 360 CD2 HIS A 158 17.209 -3.841 1.478 1.00 11.79 C ATOM 361 CE1 HIS A 158 15.272 -4.747 1.103 1.00 12.11 C ATOM 362 NE2 HIS A 158 16.508 -5.027 1.443 1.00 12.14 N ATOM 363 N PHE A 159 15.450 -1.001 4.328 1.00 10.77 N ATOM 364 CA PHE A 159 15.711 -1.369 5.729 1.00 11.24 C ATOM 365 C PHE A 159 15.192 -2.800 5.887 1.00 11.58 C ATOM 366 O PHE A 159 13.974 -3.009 5.757 1.00 11.29 O ATOM 367 CB PHE A 159 15.031 -0.365 6.636 1.00 11.31 C ATOM 368 CG PHE A 159 15.016 -0.731 8.094 1.00 10.75 C ATOM 369 CD1 PHE A 159 16.044 -0.360 8.931 1.00 11.78 C ATOM 370 CD2 PHE A 159 13.937 -1.397 8.634 1.00 11.48 C ATOM 371 CE1 PHE A 159 16.002 -0.657 10.288 1.00 12.53 C ATOM 372 CE2 PHE A 159 13.900 -1.719 9.980 1.00 11.72 C ATOM 373 CZ PHE A 159 14.920 -1.324 10.810 1.00 11.64 C ATOM 374 N ASN A 160 16.087 -3.744 6.161 1.00 11.24 N ATOM 375 CA ASN A 160 15.803 -5.185 5.998 1.00 12.53 C ATOM 376 C ASN A 160 16.320 -5.971 7.196 1.00 12.51 C ATOM 377 O ASN A 160 17.383 -6.546 7.116 1.00 13.31 O ATOM 378 CB ASN A 160 16.428 -5.688 4.696 1.00 12.42 C ATOM 379 CG ASN A 160 16.254 -7.160 4.417 1.00 12.68 C ATOM 380 OD1 ASN A 160 17.108 -7.739 3.739 1.00 13.69 O ATOM 381 ND2 ASN A 160 15.181 -7.770 4.904 1.00 13.89 N ATOM 382 N PRO A 161 15.572 -6.046 8.309 1.00 14.26 N ATOM 383 CA PRO A 161 15.877 -7.014 9.363 1.00 13.62 C ATOM 384 C PRO A 161 15.766 -8.446 8.842 1.00 14.13 C ATOM 385 O PRO A 161 14.736 -8.857 8.357 1.00 13.84 O ATOM 386 CB PRO A 161 14.853 -6.732 10.461 1.00 15.32 C ATOM 387 CG PRO A 161 14.417 -5.283 10.180 1.00 14.42 C ATOM 388 CD PRO A 161 14.465 -5.153 8.663 1.00 13.46 C ATOM 389 N ARG A 162 16.825 -9.209 9.063 1.00 14.48 N ATOM 390 CA ARG A 162 16.871 -10.641 8.716 1.00 15.11 C ATOM 391 C ARG A 162 17.006 -11.445 9.995 1.00 15.23 C ATOM 392 O ARG A 162 17.987 -11.226 10.709 1.00 14.84 O ATOM 393 CB ARG A 162 18.041 -10.918 7.778 1.00 15.54 C ATOM 394 CG ARG A 162 17.995 -10.067 6.520 1.00 16.31 C ATOM 395 CD ARG A 162 19.211 -10.274 5.640 1.00 17.01 C ATOM 396 NE ARG A 162 19.095 -9.468 4.429 1.00 17.55 N ATOM 397 CZ ARG A 162 19.955 -9.489 3.422 1.00 18.94 C ATOM 398 NH1 ARG A 162 20.975 -10.334 3.435 1.00 20.65 N ATOM 399 NH2 ARG A 162 19.789 -8.672 2.400 1.00 16.86 N ATOM 400 N PHE A 163 16.073 -12.363 10.231 1.00 14.74 N ATOM 401 CA PHE A 163 15.993 -13.128 11.496 1.00 15.89 C ATOM 402 C PHE A 163 16.909 -14.339 11.426 1.00 16.44 C ATOM 403 O PHE A 163 17.230 -14.866 12.488 1.00 17.83 O ATOM 404 CB PHE A 163 14.556 -13.565 11.775 1.00 15.61 C ATOM 405 CG PHE A 163 13.681 -12.435 12.245 1.00 16.59 C ATOM 406 CD1 PHE A 163 13.245 -11.470 11.354 1.00 16.09 C ATOM 407 CD2 PHE A 163 13.317 -12.330 13.584 1.00 17.81 C ATOM 408 CE1 PHE A 163 12.465 -10.417 11.782 1.00 15.82 C ATOM 409 CE2 PHE A 163 12.525 -11.272 14.014 1.00 16.74 C ATOM 410 CZ PHE A 163 12.111 -10.319 13.114 1.00 16.90 C ATOM 411 N ASN A 164 17.273 -14.803 10.238 1.00 17.35 N ATOM 412 CA ASN A 164 18.213 -15.951 10.161 1.00 19.91 C ATOM 413 C ASN A 164 19.135 -15.776 8.955 1.00 20.57 C ATOM 414 O ASN A 164 18.866 -16.339 7.912 1.00 21.17 O ATOM 415 CB ASN A 164 17.457 -17.280 10.154 1.00 21.33 C ATOM 416 CG ASN A 164 18.404 -18.466 10.096 1.00 25.02 C ATOM 417 OD1 ASN A 164 19.634 -18.309 10.108 1.00 27.00 O ATOM 418 ND2 ASN A 164 17.850 -19.660 10.015 1.00 26.15 N ATOM 419 N GLU A 165 20.209 -15.029 9.113 1.00 19.93 N ATOM 420 CA GLU A 165 21.281 -15.006 8.109 1.00 20.03 C ATOM 421 C GLU A 165 22.478 -15.764 8.687 1.00 18.71 C ATOM 422 O GLU A 165 23.189 -15.216 9.530 1.00 17.98 O ATOM 423 CB GLU A 165 21.635 -13.573 7.733 1.00 22.74 C ATOM 424 CG GLU A 165 22.498 -13.574 6.491 1.00 25.15 C ATOM 425 CD GLU A 165 23.223 -12.286 6.232 1.00 26.28 C ATOM 426 OE1 GLU A 165 23.990 -11.860 7.098 1.00 32.21 O ATOM 427 OE2 GLU A 165 23.017 -11.726 5.175 1.00 30.45 O ATOM 428 N AASN A 166 22.679 -17.004 8.239 0.80 21.49 N ATOM 429 N BASN A 166 22.694 -17.005 8.246 0.20 18.45 N ATOM 430 CA AASN A 166 23.749 -17.893 8.757 0.80 23.59 C ATOM 431 CA BASN A 166 23.788 -17.866 8.767 0.20 18.25 C ATOM 432 C AASN A 166 23.618 -17.951 10.292 0.80 20.60 C ATOM 433 C BASN A 166 23.632 -17.995 10.292 0.20 18.34 C ATOM 434 O AASN A 166 24.621 -17.783 10.991 0.80 20.65 O ATOM 435 O BASN A 166 24.660 -17.934 10.990 0.20 18.43 O ATOM 436 CB AASN A 166 25.132 -17.448 8.263 0.80 28.48 C ATOM 437 CB BASN A 166 25.167 -17.306 8.396 0.20 17.94 C ATOM 438 CG AASN A 166 26.238 -18.375 8.735 0.80 36.44 C ATOM 439 CG BASN A 166 25.329 -17.008 6.919 0.20 17.66 C ATOM 440 OD1AASN A 166 26.070 -19.601 8.740 0.80 39.43 O ATOM 441 OD1BASN A 166 25.179 -17.890 6.081 0.20 17.53 O ATOM 442 ND2AASN A 166 27.355 -17.804 9.173 0.80 42.38 N ATOM 443 ND2BASN A 166 25.658 -15.769 6.589 0.20 17.46 N ATOM 444 N ASN A 167 22.389 -18.128 10.779 1.00 18.74 N ATOM 445 CA ASN A 167 22.032 -18.336 12.215 1.00 19.01 C ATOM 446 C ASN A 167 22.362 -17.104 13.054 1.00 18.98 C ATOM 447 O ASN A 167 22.453 -17.240 14.252 1.00 19.81 O ATOM 448 CB ASN A 167 22.650 -19.620 12.765 1.00 19.41 C ATOM 449 CG ASN A 167 22.134 -20.796 11.979 1.00 20.02 C ATOM 450 OD1 ASN A 167 20.921 -20.988 11.925 1.00 21.69 O ATOM 451 ND2 ASN A 167 23.025 -21.506 11.314 1.00 18.54 N ATOM 452 N ARG A 168 22.432 -15.926 12.441 1.00 19.21 N ATOM 453 CA ARG A 168 22.539 -14.631 13.153 1.00 20.81 C ATOM 454 C ARG A 168 21.345 -13.765 12.738 1.00 19.57 C ATOM 455 O ARG A 168 20.756 -14.026 11.687 1.00 16.84 O ATOM 456 CB ARG A 168 23.881 -13.960 12.854 1.00 24.41 C ATOM 457 CG ARG A 168 25.041 -14.660 13.544 1.00 29.11 C ATOM 458 CD ARG A 168 26.187 -14.896 12.607 1.00 35.07 C ATOM 459 NE ARG A 168 27.281 -15.659 13.217 1.00 39.08 N ATOM 460 CZ ARG A 168 28.501 -15.179 13.471 1.00 40.67 C ATOM 461 NH1 ARG A 168 28.809 -13.919 13.210 1.00 39.25 N ATOM 462 NH2 ARG A 168 29.424 -15.975 13.975 1.00 44.74 N ATOM 463 N ARG A 169 20.988 -12.805 13.589 1.00 18.74 N ATOM 464 CA ARG A 169 19.939 -11.778 13.327 1.00 19.36 C ATOM 465 C ARG A 169 20.681 -10.483 13.008 1.00 17.17 C ATOM 466 O ARG A 169 21.563 -10.092 13.792 1.00 16.46 O ATOM 467 CB ARG A 169 19.002 -11.670 14.533 1.00 21.61 C ATOM 468 CG ARG A 169 18.611 -13.025 15.099 1.00 22.74 C ATOM 469 CD ARG A 169 17.383 -12.993 15.966 1.00 28.42 C ATOM 470 NE ARG A 169 17.579 -12.359 17.273 1.00 33.27 N ATOM 471 CZ ARG A 169 16.598 -12.035 18.125 1.00 38.11 C ATOM 472 NH1 ARG A 169 15.323 -12.265 17.817 1.00 37.98 N ATOM 473 NH2 ARG A 169 16.910 -11.461 19.277 1.00 38.82 N ATOM 474 N VAL A 170 20.417 -9.912 11.840 1.00 14.88 N ATOM 475 CA VAL A 170 21.150 -8.712 11.355 1.00 16.24 C ATOM 476 C VAL A 170 20.158 -7.793 10.626 1.00 15.76 C ATOM 477 O VAL A 170 19.147 -8.281 10.053 1.00 13.96 O ATOM 478 CB VAL A 170 22.321 -9.115 10.453 1.00 17.35 C ATOM 479 CG1 VAL A 170 21.853 -9.814 9.192 1.00 18.52 C ATOM 480 CG2 VAL A 170 23.210 -7.931 10.113 1.00 20.50 C ATOM 481 N ILE A 171 20.449 -6.500 10.673 1.00 15.29 N ATOM 482 CA ILE A 171 19.729 -5.495 9.861 1.00 14.93 C ATOM 483 C ILE A 171 20.641 -5.066 8.718 1.00 14.08 C ATOM 484 O ILE A 171 21.805 -4.634 8.945 1.00 13.83 O ATOM 485 CB ILE A 171 19.237 -4.349 10.751 1.00 17.69 C ATOM 486 CG1 ILE A 171 18.305 -4.901 11.836 1.00 19.87 C ATOM 487 CG2 ILE A 171 18.549 -3.307 9.900 1.00 17.63 C ATOM 488 CD1 ILE A 171 18.110 -3.997 13.011 1.00 22.02 C ATOM 489 N VAL A 172 20.137 -5.239 7.511 1.00 13.72 N ATOM 490 CA VAL A 172 20.812 -4.808 6.271 1.00 14.18 C ATOM 491 C VAL A 172 20.086 -3.544 5.787 1.00 12.91 C ATOM 492 O VAL A 172 18.844 -3.534 5.772 1.00 11.84 O ATOM 493 CB VAL A 172 20.814 -5.929 5.218 1.00 15.09 C ATOM 494 CG1 VAL A 172 21.423 -5.415 3.916 1.00 16.13 C ATOM 495 CG2 VAL A 172 21.564 -7.150 5.732 1.00 15.98 C ATOM 496 N CYS A 173 20.859 -2.495 5.524 1.00 13.76 N ATOM 497 CA CYS A 173 20.414 -1.248 4.855 1.00 13.15 C ATOM 498 C CYS A 173 21.153 -1.073 3.530 1.00 12.46 C ATOM 499 O CYS A 173 22.404 -1.330 3.488 1.00 12.61 O ATOM 500 CB CYS A 173 20.673 -0.067 5.773 1.00 14.85 C ATOM 501 SG CYS A 173 19.628 -0.184 7.239 1.00 16.60 S ATOM 502 N ASN A 174 20.455 -0.633 2.493 1.00 10.36 N ATOM 503 CA ASN A 174 21.085 -0.449 1.168 1.00 11.73 C ATOM 504 C ASN A 174 20.208 0.477 0.319 1.00 11.44 C ATOM 505 O ASN A 174 19.108 0.908 0.768 1.00 11.79 O ATOM 506 CB ASN A 174 21.403 -1.811 0.510 1.00 11.55 C ATOM 507 CG ASN A 174 22.572 -1.783 -0.460 1.00 12.26 C ATOM 508 OD1 ASN A 174 23.067 -0.720 -0.837 1.00 12.50 O ATOM 509 ND2 ASN A 174 23.051 -2.953 -0.871 1.00 12.75 N ATOM 510 N THR A 175 20.728 0.787 -0.856 1.00 11.02 N ATOM 511 CA THR A 175 20.122 1.610 -1.913 1.00 11.31 C ATOM 512 C THR A 175 20.201 0.820 -3.222 1.00 12.71 C ATOM 513 O THR A 175 21.267 0.190 -3.470 1.00 12.47 O ATOM 514 CB THR A 175 20.833 2.958 -1.989 1.00 11.04 C ATOM 515 OG1 THR A 175 20.524 3.675 -0.783 1.00 11.19 O ATOM 516 CG2 THR A 175 20.400 3.718 -3.220 1.00 10.90 C ATOM 517 N LYS A 176 19.117 0.813 -3.988 1.00 13.10 N ATOM 518 CA LYS A 176 19.078 0.164 -5.313 1.00 14.30 C ATOM 519 C LYS A 176 18.928 1.234 -6.382 1.00 14.07 C ATOM 520 O LYS A 176 17.894 1.917 -6.364 1.00 13.20 O ATOM 521 CB LYS A 176 17.936 -0.853 -5.413 1.00 15.50 C ATOM 522 CG LYS A 176 18.085 -1.745 -6.647 1.00 18.90 C ATOM 523 CD LYS A 176 17.212 -2.938 -6.669 1.00 21.89 C ATOM 524 CE LYS A 176 15.766 -2.585 -6.858 1.00 27.00 C ATOM 525 NZ LYS A 176 14.995 -3.834 -7.090 1.00 30.04 N ATOM 526 N LEU A 177 19.937 1.378 -7.248 1.00 14.27 N ATOM 527 CA LEU A 177 19.922 2.345 -8.376 1.00 15.60 C ATOM 528 C LEU A 177 19.981 1.588 -9.692 1.00 16.42 C ATOM 529 O LEU A 177 20.903 0.788 -9.860 1.00 14.94 O ATOM 530 CB LEU A 177 21.096 3.320 -8.248 1.00 16.19 C ATOM 531 CG LEU A 177 21.160 4.056 -6.916 1.00 16.68 C ATOM 532 CD1 LEU A 177 22.457 4.838 -6.771 1.00 17.24 C ATOM 533 CD2 LEU A 177 19.929 4.963 -6.769 1.00 18.84 C ATOM 534 N ASP A 178 19.039 1.850 -10.592 1.00 16.44 N ATOM 535 CA ASP A 178 19.040 1.242 -11.943 1.00 18.56 C ATOM 536 C ASP A 178 19.135 -0.271 -11.793 1.00 18.79 C ATOM 537 O ASP A 178 19.904 -0.892 -12.548 1.00 17.26 O ATOM 538 CB ASP A 178 20.182 1.778 -12.816 1.00 19.96 C ATOM 539 CG ASP A 178 19.966 3.213 -13.231 1.00 20.73 C ATOM 540 OD1 ASP A 178 18.804 3.630 -13.312 1.00 25.80 O ATOM 541 OD2 ASP A 178 20.945 3.907 -13.393 1.00 24.79 O ATOM 542 N ASN A 179 18.425 -0.815 -10.812 1.00 18.02 N ATOM 543 CA ASN A 179 18.356 -2.265 -10.531 1.00 21.40 C ATOM 544 C ASN A 179 19.665 -2.858 -9.982 1.00 20.31 C ATOM 545 O ASN A 179 19.777 -4.071 -9.993 1.00 24.71 O ATOM 546 CB ASN A 179 17.925 -3.001 -11.798 1.00 23.95 C ATOM 547 CG ASN A 179 16.571 -3.645 -11.668 1.00 27.68 C ATOM 548 OD1 ASN A 179 15.670 -3.127 -10.991 1.00 28.93 O ATOM 549 ND2 ASN A 179 16.436 -4.778 -12.339 1.00 30.07 N ATOM 550 N ASN A 180 20.600 -2.082 -9.471 1.00 20.71 N ATOM 551 CA ASN A 180 21.859 -2.604 -8.877 1.00 21.54 C ATOM 552 C ASN A 180 21.902 -2.189 -7.405 1.00 20.04 C ATOM 553 O ASN A 180 21.785 -0.994 -7.130 1.00 17.79 O ATOM 554 CB ASN A 180 23.105 -2.064 -9.572 1.00 24.66 C ATOM 555 CG ASN A 180 23.184 -2.449 -11.034 1.00 31.42 C ATOM 556 OD1 ASN A 180 23.312 -1.583 -11.896 1.00 39.16 O ATOM 557 ND2 ASN A 180 23.059 -3.729 -11.330 1.00 32.55 N ATOM 558 N TRP A 181 22.097 -3.136 -6.494 1.00 19.08 N ATOM 559 CA TRP A 181 22.274 -2.831 -5.049 1.00 18.03 C ATOM 560 C TRP A 181 23.664 -2.220 -4.850 1.00 19.48 C ATOM 561 O TRP A 181 24.591 -2.536 -5.632 1.00 20.24 O ATOM 562 CB TRP A 181 22.029 -4.086 -4.198 1.00 17.06 C ATOM 563 CG TRP A 181 20.589 -4.494 -4.097 1.00 16.39 C ATOM 564 CD1 TRP A 181 19.989 -5.561 -4.704 1.00 16.62 C ATOM 565 CD2 TRP A 181 19.539 -3.810 -3.392 1.00 15.85 C ATOM 566 NE1 TRP A 181 18.652 -5.603 -4.383 1.00 16.84 N ATOM 567 CE2 TRP A 181 18.351 -4.548 -3.577 1.00 15.69 C ATOM 568 CE3 TRP A 181 19.514 -2.702 -2.539 1.00 16.00 C ATOM 569 CZ2 TRP A 181 17.148 -4.201 -2.973 1.00 15.57 C ATOM 570 CZ3 TRP A 181 18.317 -2.340 -1.960 1.00 15.54 C ATOM 571 CH2 TRP A 181 17.152 -3.072 -2.187 1.00 15.38 C ATOM 572 N GLY A 182 23.795 -1.302 -3.907 1.00 16.25 N ATOM 573 CA GLY A 182 25.057 -0.661 -3.530 1.00 16.27 C ATOM 574 C GLY A 182 25.767 -1.375 -2.389 1.00 16.21 C ATOM 575 O GLY A 182 25.528 -2.566 -2.162 1.00 15.53 O ATOM 576 N ARG A 183 26.586 -0.641 -1.654 1.00 18.51 N ATOM 577 CA ARG A 183 27.345 -1.153 -0.497 1.00 21.99 C ATOM 578 C ARG A 183 26.382 -1.285 0.677 1.00 19.59 C ATOM 579 O ARG A 183 25.755 -0.301 1.001 1.00 15.66 O ATOM 580 CB ARG A 183 28.476 -0.179 -0.180 1.00 27.26 C ATOM 581 CG ARG A 183 29.316 -0.558 1.034 1.00 38.17 C ATOM 582 CD ARG A 183 30.334 0.533 1.356 1.00 45.50 C ATOM 583 NE ARG A 183 29.800 1.653 2.143 1.00 53.19 N ATOM 584 CZ ARG A 183 29.258 2.786 1.664 1.00 58.59 C ATOM 585 NH1 ARG A 183 29.136 3.005 0.361 1.00 61.06 N ATOM 586 NH2 ARG A 183 28.826 3.708 2.511 1.00 57.03 N ATOM 587 N GLU A 184 26.294 -2.465 1.288 1.00 17.47 N ATOM 588 CA GLU A 184 25.366 -2.698 2.405 1.00 17.43 C ATOM 589 C GLU A 184 25.915 -1.987 3.635 1.00 17.03 C ATOM 590 O GLU A 184 27.140 -1.935 3.805 1.00 16.51 O ATOM 591 CB GLU A 184 25.228 -4.196 2.672 1.00 17.62 C ATOM 592 CG GLU A 184 24.600 -4.964 1.533 1.00 17.86 C ATOM 593 CD GLU A 184 24.295 -6.423 1.856 1.00 19.18 C ATOM 594 OE1 GLU A 184 24.907 -6.971 2.808 1.00 21.70 O ATOM 595 OE2 GLU A 184 23.408 -6.997 1.221 1.00 18.90 O ATOM 596 N GLU A 185 25.037 -1.492 4.497 1.00 15.35 N ATOM 597 CA GLU A 185 25.374 -1.076 5.880 1.00 16.50 C ATOM 598 C GLU A 185 24.649 -2.053 6.815 1.00 18.02 C ATOM 599 O GLU A 185 23.387 -2.213 6.707 1.00 18.68 O ATOM 600 CB GLU A 185 24.966 0.388 6.130 1.00 16.67 C ATOM 601 CG GLU A 185 25.582 1.359 5.125 1.00 17.04 C ATOM 602 CD GLU A 185 25.279 2.830 5.312 1.00 15.92 C ATOM 603 OE1 GLU A 185 24.850 3.231 6.414 1.00 17.54 O ATOM 604 OE2 GLU A 185 25.451 3.575 4.357 1.00 15.95 O ATOM 605 N ARG A 186 25.409 -2.736 7.656 1.00 19.16 N ATOM 606 CA ARG A 186 24.916 -3.857 8.493 1.00 20.13 C ATOM 607 C ARG A 186 24.967 -3.435 9.953 1.00 23.28 C ATOM 608 O ARG A 186 25.960 -2.806 10.324 1.00 22.21 O ATOM 609 CB ARG A 186 25.754 -5.101 8.220 1.00 20.32 C ATOM 610 CG ARG A 186 25.481 -5.690 6.856 1.00 20.81 C ATOM 611 CD ARG A 186 26.322 -6.902 6.521 1.00 20.21 C ATOM 612 NE ARG A 186 25.685 -7.590 5.404 1.00 20.48 N ATOM 613 CZ ARG A 186 25.019 -8.742 5.495 1.00 20.28 C ATOM 614 NH1 ARG A 186 24.923 -9.361 6.655 1.00 21.12 N ATOM 615 NH2 ARG A 186 24.471 -9.287 4.424 1.00 20.14 N ATOM 616 N GLN A 187 23.887 -3.701 10.694 1.00 24.56 N ATOM 617 CA GLN A 187 23.716 -3.384 12.136 1.00 24.67 C ATOM 618 C GLN A 187 23.400 -4.712 12.843 1.00 24.60 C ATOM 619 O GLN A 187 22.405 -5.373 12.460 1.00 22.36 O ATOM 620 CB GLN A 187 22.671 -2.271 12.277 1.00 26.77 C ATOM 621 CG GLN A 187 22.188 -1.972 13.696 1.00 27.57 C ATOM 622 CD GLN A 187 23.231 -1.373 14.617 1.00 32.35 C ATOM 623 OE1 GLN A 187 23.171 -0.193 14.943 1.00 41.37 O ATOM 624 NE2 GLN A 187 24.170 -2.176 15.098 1.00 27.28 N ATOM 625 N SER A 188 24.273 -5.138 13.769 1.00 23.31 N ATOM 626 CA SER A 188 24.094 -6.359 14.603 1.00 21.67 C ATOM 627 C SER A 188 23.149 -6.098 15.786 1.00 19.47 C ATOM 628 O SER A 188 22.611 -7.072 16.345 1.00 20.57 O ATOM 629 CB SER A 188 25.435 -6.889 15.059 1.00 24.70 C ATOM 630 OG SER A 188 26.162 -5.822 15.666 1.00 25.56 O ATOM 631 N VAL A 189 22.901 -4.846 16.162 1.00 18.38 N ATOM 632 CA VAL A 189 21.882 -4.544 17.202 1.00 17.92 C ATOM 633 C VAL A 189 20.508 -4.868 16.631 1.00 16.84 C ATOM 634 O VAL A 189 20.193 -4.315 15.603 1.00 16.86 O ATOM 635 CB VAL A 189 21.966 -3.098 17.696 1.00 19.18 C ATOM 636 CG1 VAL A 189 20.845 -2.806 18.686 1.00 21.41 C ATOM 637 CG2 VAL A 189 23.323 -2.859 18.336 1.00 23.08 C ATOM 638 N PHE A 190 19.769 -5.796 17.242 1.00 15.24 N ATOM 639 CA PHE A 190 18.543 -6.375 16.645 1.00 15.24 C ATOM 640 C PHE A 190 17.400 -6.320 17.653 1.00 15.69 C ATOM 641 O PHE A 190 17.240 -7.196 18.503 1.00 14.62 O ATOM 642 CB PHE A 190 18.820 -7.774 16.108 1.00 13.85 C ATOM 643 CG PHE A 190 17.772 -8.291 15.156 1.00 13.51 C ATOM 644 CD1 PHE A 190 17.899 -8.100 13.788 1.00 13.18 C ATOM 645 CD2 PHE A 190 16.671 -8.996 15.625 1.00 14.06 C ATOM 646 CE1 PHE A 190 16.961 -8.616 12.913 1.00 12.50 C ATOM 647 CE2 PHE A 190 15.711 -9.482 14.744 1.00 13.71 C ATOM 648 CZ PHE A 190 15.874 -9.308 13.388 1.00 12.29 C ATOM 649 N PRO A 191 16.574 -5.249 17.624 1.00 16.04 N ATOM 650 CA PRO A 191 15.558 -5.092 18.654 1.00 16.47 C ATOM 651 C PRO A 191 14.262 -5.877 18.415 1.00 16.52 C ATOM 652 O PRO A 191 13.476 -5.870 19.280 1.00 21.36 O ATOM 653 CB PRO A 191 15.309 -3.578 18.645 1.00 17.77 C ATOM 654 CG PRO A 191 15.592 -3.143 17.234 1.00 17.26 C ATOM 655 CD PRO A 191 16.715 -4.055 16.778 1.00 16.85 C ATOM 656 N PHE A 192 14.076 -6.529 17.275 1.00 15.26 N ATOM 657 CA PHE A 192 12.860 -7.307 16.962 1.00 15.53 C ATOM 658 C PHE A 192 12.947 -8.689 17.615 1.00 15.96 C ATOM 659 O PHE A 192 14.057 -9.236 17.768 1.00 15.87 O ATOM 660 CB PHE A 192 12.691 -7.393 15.445 1.00 16.18 C ATOM 661 CG PHE A 192 12.675 -6.061 14.738 1.00 14.63 C ATOM 662 CD1 PHE A 192 11.503 -5.317 14.661 1.00 14.72 C ATOM 663 CD2 PHE A 192 13.819 -5.550 14.144 1.00 14.54 C ATOM 664 CE1 PHE A 192 11.471 -4.096 14.009 1.00 14.53 C ATOM 665 CE2 PHE A 192 13.780 -4.346 13.460 1.00 14.52 C ATOM 666 CZ PHE A 192 12.603 -3.618 13.389 1.00 14.20 C ATOM 667 N GLU A 193 11.787 -9.249 17.949 1.00 15.87 N ATOM 668 CA AGLU A 193 11.641 -10.643 18.453 0.70 17.00 C ATOM 669 CA BGLU A 193 11.624 -10.638 18.456 0.30 15.20 C ATOM 670 C GLU A 193 10.400 -11.250 17.789 1.00 15.99 C ATOM 671 O GLU A 193 9.333 -10.571 17.778 1.00 15.19 O ATOM 672 CB AGLU A 193 11.557 -10.673 19.987 0.70 19.28 C ATOM 673 CB BGLU A 193 11.376 -10.679 19.961 0.30 14.43 C ATOM 674 CG AGLU A 193 12.401 -9.601 20.689 0.70 22.15 C ATOM 675 CG BGLU A 193 12.616 -10.455 20.789 0.30 13.81 C ATOM 676 CD AGLU A 193 12.514 -9.628 22.216 0.70 24.37 C ATOM 677 CD BGLU A 193 13.661 -11.543 20.671 0.30 12.93 C ATOM 678 OE1AGLU A 193 13.310 -10.468 22.728 0.70 25.34 O ATOM 679 OE1BGLU A 193 13.306 -12.698 20.296 0.30 12.07 O ATOM 680 OE2AGLU A 193 11.864 -8.755 22.898 0.70 23.32 O ATOM 681 OE2BGLU A 193 14.824 -11.225 20.949 0.30 12.05 O ATOM 682 N SER A 194 10.532 -12.463 17.256 1.00 17.00 N ATOM 683 CA SER A 194 9.422 -13.217 16.637 1.00 18.19 C ATOM 684 C SER A 194 8.248 -13.221 17.606 1.00 16.93 C ATOM 685 O SER A 194 8.490 -13.428 18.788 1.00 15.55 O ATOM 686 CB SER A 194 9.830 -14.633 16.265 1.00 22.54 C ATOM 687 OG SER A 194 10.922 -14.591 15.370 1.00 26.15 O ATOM 688 N GLY A 195 7.044 -12.937 17.114 1.00 14.32 N ATOM 689 CA GLY A 195 5.810 -13.046 17.894 1.00 14.11 C ATOM 690 C GLY A 195 5.485 -11.757 18.637 1.00 13.80 C ATOM 691 O GLY A 195 4.401 -11.691 19.161 1.00 15.79 O ATOM 692 N LYS A 196 6.356 -10.736 18.654 1.00 12.50 N ATOM 693 CA LYS A 196 6.126 -9.593 19.556 1.00 12.32 C ATOM 694 C LYS A 196 5.781 -8.335 18.774 1.00 11.84 C ATOM 695 O LYS A 196 6.239 -8.138 17.679 1.00 10.93 O ATOM 696 CB LYS A 196 7.291 -9.298 20.494 1.00 12.76 C ATOM 697 CG LYS A 196 7.698 -10.441 21.411 1.00 13.64 C ATOM 698 CD LYS A 196 8.536 -9.962 22.595 1.00 14.90 C ATOM 699 CE LYS A 196 9.328 -11.079 23.257 1.00 15.44 C ATOM 700 NZ LYS A 196 10.162 -10.497 24.337 1.00 16.82 N ATOM 701 N PRO A 197 4.942 -7.478 19.368 1.00 12.66 N ATOM 702 CA PRO A 197 4.595 -6.178 18.795 1.00 13.32 C ATOM 703 C PRO A 197 5.778 -5.211 18.801 1.00 11.68 C ATOM 704 O PRO A 197 6.586 -5.214 19.686 1.00 11.43 O ATOM 705 CB PRO A 197 3.464 -5.630 19.660 1.00 13.53 C ATOM 706 CG PRO A 197 3.484 -6.475 20.926 1.00 14.33 C ATOM 707 CD PRO A 197 4.263 -7.745 20.642 1.00 13.79 C ATOM 708 N PHE A 198 5.858 -4.435 17.740 1.00 12.05 N ATOM 709 CA PHE A 198 6.908 -3.421 17.532 1.00 12.02 C ATOM 710 C PHE A 198 6.282 -2.106 17.057 1.00 11.09 C ATOM 711 O PHE A 198 5.132 -2.021 16.512 1.00 9.63 O ATOM 712 CB PHE A 198 7.947 -3.923 16.522 1.00 12.46 C ATOM 713 CG PHE A 198 7.400 -4.084 15.131 1.00 13.22 C ATOM 714 CD1 PHE A 198 7.315 -3.003 14.267 1.00 13.93 C ATOM 715 CD2 PHE A 198 6.900 -5.301 14.699 1.00 14.80 C ATOM 716 CE1 PHE A 198 6.780 -3.140 12.997 1.00 14.70 C ATOM 717 CE2 PHE A 198 6.357 -5.445 13.427 1.00 14.50 C ATOM 718 CZ PHE A 198 6.316 -4.371 12.565 1.00 15.13 C ATOM 719 N LYS A 199 7.103 -1.079 17.218 1.00 11.59 N ATOM 720 CA LYS A 199 6.914 0.270 16.637 1.00 12.32 C ATOM 721 C LYS A 199 8.203 0.674 15.938 1.00 11.83 C ATOM 722 O LYS A 199 9.282 0.684 16.615 1.00 12.12 O ATOM 723 CB LYS A 199 6.577 1.296 17.711 1.00 13.17 C ATOM 724 CG LYS A 199 6.296 2.677 17.134 1.00 14.77 C ATOM 725 CD LYS A 199 5.792 3.634 18.160 1.00 16.18 C ATOM 726 CE LYS A 199 6.737 3.787 19.324 1.00 17.74 C ATOM 727 NZ LYS A 199 6.190 4.766 20.294 1.00 19.36 N ATOM 728 N ILE A 200 8.143 0.880 14.628 1.00 11.44 N ATOM 729 CA ILE A 200 9.268 1.490 13.867 1.00 12.26 C ATOM 730 C ILE A 200 8.912 2.952 13.615 1.00 12.72 C ATOM 731 O ILE A 200 7.824 3.226 13.059 1.00 12.10 O ATOM 732 CB ILE A 200 9.566 0.770 12.542 1.00 12.60 C ATOM 733 CG1 ILE A 200 9.893 -0.706 12.736 1.00 13.06 C ATOM 734 CG2 ILE A 200 10.703 1.481 11.828 1.00 13.74 C ATOM 735 CD1 ILE A 200 9.931 -1.487 11.453 1.00 13.78 C ATOM 736 N GLN A 201 9.821 3.844 13.952 1.00 12.61 N ATOM 737 CA GLN A 201 9.703 5.276 13.597 1.00 13.61 C ATOM 738 C GLN A 201 10.887 5.679 12.728 1.00 12.94 C ATOM 739 O GLN A 201 12.060 5.354 13.061 1.00 12.13 O ATOM 740 CB GLN A 201 9.574 6.095 14.861 1.00 14.82 C ATOM 741 CG GLN A 201 8.229 5.839 15.511 1.00 17.13 C ATOM 742 CD GLN A 201 8.149 6.640 16.770 1.00 21.45 C ATOM 743 OE1 GLN A 201 9.021 6.511 17.643 1.00 23.83 O ATOM 744 NE2 GLN A 201 7.149 7.512 16.795 1.00 21.13 N ATOM 745 N VAL A 202 10.580 6.282 11.591 1.00 12.29 N ATOM 746 CA VAL A 202 11.621 6.755 10.640 1.00 10.93 C ATOM 747 C VAL A 202 11.448 8.269 10.589 1.00 11.10 C ATOM 748 O VAL A 202 10.367 8.720 10.201 1.00 8.92 O ATOM 749 CB VAL A 202 11.523 6.160 9.238 1.00 11.83 C ATOM 750 CG1 VAL A 202 12.659 6.742 8.383 1.00 13.67 C ATOM 751 CG2 VAL A 202 11.582 4.661 9.236 1.00 13.11 C ATOM 752 N LEU A 203 12.448 9.004 11.067 1.00 11.34 N ATOM 753 CA LEU A 203 12.438 10.498 11.071 1.00 12.36 C ATOM 754 C LEU A 203 13.413 10.957 9.997 1.00 11.57 C ATOM 755 O LEU A 203 14.600 10.546 10.002 1.00 12.11 O ATOM 756 CB LEU A 203 12.826 11.031 12.449 1.00 14.25 C ATOM 757 CG LEU A 203 12.900 12.565 12.554 1.00 16.02 C ATOM 758 CD1 LEU A 203 11.585 13.232 12.215 1.00 17.09 C ATOM 759 CD2 LEU A 203 13.347 12.977 13.935 1.00 18.00 C ATOM 760 N VAL A 204 12.894 11.682 9.033 1.00 12.10 N ATOM 761 CA VAL A 204 13.702 12.279 7.945 1.00 12.61 C ATOM 762 C VAL A 204 14.419 13.504 8.504 1.00 13.03 C ATOM 763 O VAL A 204 13.746 14.401 9.024 1.00 13.15 O ATOM 764 CB VAL A 204 12.857 12.605 6.710 1.00 13.29 C ATOM 765 CG1 VAL A 204 13.779 13.087 5.584 1.00 13.74 C ATOM 766 CG2 VAL A 204 12.074 11.369 6.278 1.00 13.81 C ATOM 767 N GLU A 205 15.748 13.468 8.504 1.00 14.19 N ATOM 768 CA GLU A 205 16.613 14.616 8.893 1.00 15.96 C ATOM 769 C GLU A 205 17.383 15.104 7.666 1.00 14.95 C ATOM 770 O GLU A 205 17.405 14.444 6.637 1.00 13.16 O ATOM 771 CB GLU A 205 17.523 14.199 10.047 1.00 19.05 C ATOM 772 CG GLU A 205 16.720 13.778 11.251 1.00 22.22 C ATOM 773 CD GLU A 205 17.457 13.809 12.574 1.00 30.27 C ATOM 774 OE1 GLU A 205 18.587 13.233 12.638 1.00 29.17 O ATOM 775 OE2 GLU A 205 16.868 14.388 13.558 1.00 33.14 O ATOM 776 N PRO A 206 18.015 16.296 7.722 1.00 14.84 N ATOM 777 CA PRO A 206 18.679 16.871 6.544 1.00 14.51 C ATOM 778 C PRO A 206 19.701 15.946 5.870 1.00 13.61 C ATOM 779 O PRO A 206 19.728 15.899 4.662 1.00 14.22 O ATOM 780 CB PRO A 206 19.348 18.139 7.108 1.00 14.74 C ATOM 781 CG PRO A 206 18.368 18.553 8.199 1.00 15.71 C ATOM 782 CD PRO A 206 18.025 17.229 8.864 1.00 15.77 C ATOM 783 N ASP A 207 20.469 15.184 6.641 1.00 13.53 N ATOM 784 CA ASP A 207 21.590 14.376 6.103 1.00 13.67 C ATOM 785 C ASP A 207 21.256 12.883 6.124 1.00 13.05 C ATOM 786 O ASP A 207 22.016 12.111 5.499 1.00 10.69 O ATOM 787 CB ASP A 207 22.903 14.678 6.833 1.00 15.12 C ATOM 788 CG ASP A 207 23.602 15.940 6.333 1.00 17.62 C ATOM 789 OD1 ASP A 207 23.180 16.460 5.262 1.00 16.44 O ATOM 790 OD2 ASP A 207 24.626 16.340 6.989 1.00 19.73 O ATOM 791 N HIS A 208 20.211 12.464 6.836 1.00 13.03 N ATOM 792 CA HIS A 208 19.976 11.012 6.989 1.00 14.06 C ATOM 793 C HIS A 208 18.544 10.679 7.378 1.00 12.44 C ATOM 794 O HIS A 208 17.827 11.529 7.895 1.00 12.06 O ATOM 795 CB HIS A 208 20.950 10.423 8.013 1.00 16.87 C ATOM 796 CG HIS A 208 21.026 11.195 9.273 1.00 19.71 C ATOM 797 ND1 HIS A 208 22.092 12.047 9.535 1.00 20.47 N ATOM 798 CD2 HIS A 208 20.154 11.309 10.300 1.00 22.26 C ATOM 799 CE1 HIS A 208 21.866 12.656 10.691 1.00 23.60 C ATOM 800 NE2 HIS A 208 20.677 12.223 11.184 1.00 24.55 N ATOM 801 N PHE A 209 18.198 9.416 7.172 1.00 12.09 N ATOM 802 CA PHE A 209 17.029 8.787 7.832 1.00 12.89 C ATOM 803 C PHE A 209 17.467 8.352 9.222 1.00 12.12 C ATOM 804 O PHE A 209 18.540 7.754 9.336 1.00 12.64 O ATOM 805 CB PHE A 209 16.557 7.587 7.031 1.00 13.34 C ATOM 806 CG PHE A 209 16.004 7.897 5.674 1.00 14.44 C ATOM 807 CD1 PHE A 209 14.668 8.257 5.525 1.00 16.41 C ATOM 808 CD2 PHE A 209 16.812 7.813 4.544 1.00 14.73 C ATOM 809 CE1 PHE A 209 14.146 8.502 4.261 1.00 16.41 C ATOM 810 CE2 PHE A 209 16.275 8.048 3.290 1.00 15.42 C ATOM 811 CZ PHE A 209 14.954 8.413 3.157 1.00 15.07 C ATOM 812 N LYS A 210 16.694 8.702 10.241 1.00 12.70 N ATOM 813 CA LYS A 210 16.946 8.204 11.616 1.00 14.36 C ATOM 814 C LYS A 210 15.864 7.178 11.967 1.00 12.42 C ATOM 815 O LYS A 210 14.672 7.515 11.847 1.00 10.92 O ATOM 816 CB LYS A 210 16.968 9.352 12.625 1.00 16.76 C ATOM 817 CG LYS A 210 17.416 8.941 14.020 1.00 21.74 C ATOM 818 CD LYS A 210 17.598 10.149 14.935 1.00 26.52 C ATOM 819 CE LYS A 210 16.282 10.789 15.334 1.00 31.36 C ATOM 820 NZ LYS A 210 16.435 12.247 15.630 1.00 37.76 N ATOM 821 N VAL A 211 16.265 5.994 12.403 1.00 10.96 N ATOM 822 CA VAL A 211 15.324 4.892 12.735 1.00 11.52 C ATOM 823 C VAL A 211 15.371 4.617 14.235 1.00 11.95 C ATOM 824 O VAL A 211 16.485 4.392 14.761 1.00 12.30 O ATOM 825 CB VAL A 211 15.641 3.628 11.931 1.00 11.65 C ATOM 826 CG1 VAL A 211 14.646 2.527 12.273 1.00 12.66 C ATOM 827 CG2 VAL A 211 15.687 3.931 10.440 1.00 13.18 C ATOM 828 N ALA A 212 14.214 4.641 14.877 1.00 11.28 N ATOM 829 CA ALA A 212 14.010 4.180 16.259 1.00 11.13 C ATOM 830 C ALA A 212 13.026 3.023 16.252 1.00 11.37 C ATOM 831 O ALA A 212 11.990 3.105 15.551 1.00 12.88 O ATOM 832 CB ALA A 212 13.559 5.326 17.132 1.00 11.57 C ATOM 833 N VAL A 213 13.307 1.986 17.026 1.00 11.17 N ATOM 834 CA VAL A 213 12.378 0.845 17.214 1.00 11.50 C ATOM 835 C VAL A 213 12.003 0.799 18.702 1.00 13.15 C ATOM 836 O VAL A 213 12.929 0.854 19.562 1.00 12.88 O ATOM 837 CB VAL A 213 13.026 -0.459 16.739 1.00 11.86 C ATOM 838 CG1 VAL A 213 12.103 -1.650 17.011 1.00 11.86 C ATOM 839 CG2 VAL A 213 13.398 -0.347 15.279 1.00 11.87 C ATOM 840 N ASN A 214 10.716 0.773 19.015 1.00 12.85 N ATOM 841 CA ASN A 214 10.224 0.689 20.415 1.00 14.42 C ATOM 842 C ASN A 214 10.879 1.812 21.233 1.00 15.37 C ATOM 843 O ASN A 214 11.329 1.534 22.350 1.00 14.97 O ATOM 844 CB ASN A 214 10.510 -0.677 21.040 1.00 13.47 C ATOM 845 CG ASN A 214 9.906 -1.803 20.230 1.00 13.78 C ATOM 846 OD1 ASN A 214 8.946 -1.614 19.478 1.00 13.06 O ATOM 847 ND2 ASN A 214 10.444 -2.994 20.398 1.00 13.69 N ATOM 848 N ASP A 215 10.927 3.022 20.658 1.00 15.75 N ATOM 849 CA ASP A 215 11.336 4.287 21.311 1.00 17.80 C ATOM 850 C ASP A 215 12.824 4.281 21.644 1.00 16.92 C ATOM 851 O ASP A 215 13.230 5.103 22.414 1.00 19.29 O ATOM 852 CB ASP A 215 10.493 4.554 22.563 1.00 18.88 C ATOM 853 CG ASP A 215 9.045 4.805 22.218 1.00 20.81 C ATOM 854 OD1 ASP A 215 8.807 5.613 21.321 1.00 23.61 O ATOM 855 OD2 ASP A 215 8.192 4.141 22.793 1.00 23.37 O ATOM 856 N ALA A 216 13.612 3.376 21.087 1.00 18.43 N ATOM 857 CA ALA A 216 15.083 3.356 21.226 1.00 16.85 C ATOM 858 C ALA A 216 15.722 3.639 19.859 1.00 15.85 C ATOM 859 O ALA A 216 15.412 2.898 18.871 1.00 13.10 O ATOM 860 CB ALA A 216 15.482 2.008 21.770 1.00 17.72 C ATOM 861 N HIS A 217 16.665 4.583 19.815 1.00 16.28 N ATOM 862 CA HIS A 217 17.522 4.889 18.636 1.00 15.16 C ATOM 863 C HIS A 217 18.186 3.609 18.156 1.00 14.77 C ATOM 864 O HIS A 217 18.769 2.885 18.975 1.00 14.86 O ATOM 865 CB HIS A 217 18.563 5.988 18.893 1.00 17.53 C ATOM 866 CG HIS A 217 19.495 6.181 17.739 1.00 18.46 C ATOM 867 ND1 HIS A 217 19.170 6.960 16.664 1.00 21.11 N ATOM 868 CD2 HIS A 217 20.701 5.644 17.450 1.00 21.59 C ATOM 869 CE1 HIS A 217 20.153 6.929 15.777 1.00 21.84 C ATOM 870 NE2 HIS A 217 21.115 6.149 16.242 1.00 20.85 N ATOM 871 N LEU A 218 18.096 3.327 16.857 1.00 12.92 N ATOM 872 CA LEU A 218 18.684 2.106 16.271 1.00 13.30 C ATOM 873 C LEU A 218 19.822 2.488 15.323 1.00 13.19 C ATOM 874 O LEU A 218 20.927 1.977 15.511 1.00 13.72 O ATOM 875 CB LEU A 218 17.609 1.287 15.549 1.00 13.80 C ATOM 876 CG LEU A 218 18.159 0.078 14.808 1.00 14.39 C ATOM 877 CD1 LEU A 218 18.735 -0.901 15.819 1.00 15.23 C ATOM 878 CD2 LEU A 218 17.119 -0.571 13.915 1.00 14.66 C ATOM 879 N LEU A 219 19.579 3.308 14.301 1.00 12.79 N ATOM 880 CA LEU A 219 20.616 3.604 13.284 1.00 12.42 C ATOM 881 C LEU A 219 20.235 4.861 12.518 1.00 12.49 C ATOM 882 O LEU A 219 19.070 5.285 12.572 1.00 10.64 O ATOM 883 CB LEU A 219 20.822 2.406 12.340 1.00 13.54 C ATOM 884 CG LEU A 219 19.607 1.947 11.509 1.00 14.22 C ATOM 885 CD1 LEU A 219 19.393 2.798 10.262 1.00 15.46 C ATOM 886 CD2 LEU A 219 19.776 0.508 11.061 1.00 15.46 C ATOM 887 N GLN A 220 21.232 5.397 11.829 1.00 12.57 N ATOM 888 CA GLN A 220 21.081 6.471 10.844 1.00 14.37 C ATOM 889 C GLN A 220 21.567 5.953 9.499 1.00 12.74 C ATOM 890 O GLN A 220 22.479 5.130 9.463 1.00 13.83 O ATOM 891 CB GLN A 220 21.885 7.691 11.261 1.00 17.29 C ATOM 892 CG GLN A 220 21.198 8.463 12.345 1.00 21.59 C ATOM 893 CD GLN A 220 22.130 9.438 13.014 1.00 27.12 C ATOM 894 OE1 GLN A 220 23.289 9.626 12.600 1.00 32.35 O ATOM 895 NE2 GLN A 220 21.629 10.025 14.087 1.00 30.05 N ATOM 896 N TYR A 221 20.946 6.405 8.426 1.00 11.91 N ATOM 897 CA TYR A 221 21.349 6.043 7.047 1.00 11.67 C ATOM 898 C TYR A 221 21.502 7.330 6.245 1.00 11.62 C ATOM 899 O TYR A 221 20.467 8.031 6.061 1.00 11.29 O ATOM 900 CB TYR A 221 20.328 5.083 6.438 1.00 10.81 C ATOM 901 CG TYR A 221 20.715 4.505 5.099 1.00 10.73 C ATOM 902 CD1 TYR A 221 21.500 3.381 5.027 1.00 11.01 C ATOM 903 CD2 TYR A 221 20.239 5.042 3.903 1.00 10.91 C ATOM 904 CE1 TYR A 221 21.833 2.800 3.810 1.00 11.27 C ATOM 905 CE2 TYR A 221 20.546 4.456 2.677 1.00 11.89 C ATOM 906 CZ TYR A 221 21.364 3.343 2.630 1.00 10.60 C ATOM 907 OH TYR A 221 21.710 2.744 1.456 1.00 11.64 O ATOM 908 N ASN A 222 22.735 7.647 5.859 1.00 11.66 N ATOM 909 CA AASN A 222 23.063 8.888 5.101 0.50 12.13 C ATOM 910 CA BASN A 222 23.031 8.910 5.137 0.50 12.53 C ATOM 911 C ASN A 222 22.300 8.869 3.784 1.00 11.74 C ATOM 912 O ASN A 222 22.250 7.816 3.190 1.00 11.36 O ATOM 913 CB AASN A 222 24.549 9.048 4.764 0.50 12.19 C ATOM 914 CB BASN A 222 24.543 9.169 5.079 0.50 13.18 C ATOM 915 CG AASN A 222 24.903 10.439 4.267 0.50 12.78 C ATOM 916 CG BASN A 222 25.181 9.425 6.437 0.50 14.33 C ATOM 917 OD1AASN A 222 25.181 10.650 3.078 0.50 12.02 O ATOM 918 OD1BASN A 222 24.525 9.838 7.397 0.50 16.58 O ATOM 919 ND2AASN A 222 24.934 11.396 5.188 0.50 14.47 N ATOM 920 ND2BASN A 222 26.481 9.201 6.534 0.50 15.59 N ATOM 921 N HIS A 223 21.763 10.010 3.333 1.00 11.13 N ATOM 922 CA HIS A 223 21.021 10.123 2.050 1.00 11.62 C ATOM 923 C HIS A 223 21.958 9.847 0.865 1.00 12.49 C ATOM 924 O HIS A 223 22.910 10.657 0.655 1.00 13.83 O ATOM 925 CB HIS A 223 20.397 11.516 1.888 1.00 10.83 C ATOM 926 CG HIS A 223 19.263 11.765 2.821 1.00 11.62 C ATOM 927 ND1 HIS A 223 18.247 10.855 2.984 1.00 12.16 N ATOM 928 CD2 HIS A 223 19.038 12.759 3.702 1.00 11.54 C ATOM 929 CE1 HIS A 223 17.391 11.313 3.884 1.00 13.22 C ATOM 930 NE2 HIS A 223 17.868 12.491 4.349 1.00 14.34 N ATOM 931 N ARG A 224 21.731 8.763 0.125 1.00 11.84 N ATOM 932 CA ARG A 224 22.482 8.488 -1.131 1.00 12.59 C ATOM 933 C ARG A 224 21.695 9.049 -2.317 1.00 12.86 C ATOM 934 O ARG A 224 22.294 9.592 -3.226 1.00 13.25 O ATOM 935 CB ARG A 224 22.708 6.998 -1.338 1.00 13.09 C ATOM 936 CG ARG A 224 23.470 6.348 -0.203 1.00 14.37 C ATOM 937 CD ARG A 224 23.763 4.904 -0.504 1.00 14.35 C ATOM 938 NE ARG A 224 24.320 4.205 0.640 1.00 15.33 N ATOM 939 CZ ARG A 224 24.661 2.901 0.621 1.00 16.32 C ATOM 940 NH1 ARG A 224 24.517 2.177 -0.483 1.00 15.48 N ATOM 941 NH2 ARG A 224 25.130 2.337 1.717 1.00 16.96 N ATOM 942 N VAL A 225 20.378 8.953 -2.251 1.00 12.36 N ATOM 943 CA VAL A 225 19.425 9.566 -3.193 1.00 13.23 C ATOM 944 C VAL A 225 19.139 10.958 -2.650 1.00 14.03 C ATOM 945 O VAL A 225 18.723 11.069 -1.490 1.00 14.79 O ATOM 946 CB VAL A 225 18.145 8.725 -3.334 1.00 13.31 C ATOM 947 CG1 VAL A 225 17.076 9.465 -4.118 1.00 14.17 C ATOM 948 CG2 VAL A 225 18.434 7.365 -3.931 1.00 13.70 C ATOM 949 N LYS A 226 19.422 11.978 -3.453 1.00 13.26 N ATOM 950 CA LYS A 226 19.438 13.378 -2.990 1.00 14.41 C ATOM 951 C LYS A 226 18.128 14.092 -3.340 1.00 14.05 C ATOM 952 O LYS A 226 17.889 15.130 -2.702 1.00 13.03 O ATOM 953 CB LYS A 226 20.748 14.019 -3.463 1.00 16.70 C ATOM 954 CG LYS A 226 21.900 13.346 -2.704 1.00 17.68 C ATOM 955 CD LYS A 226 23.260 13.861 -2.796 1.00 18.15 C ATOM 956 CE LYS A 226 24.228 12.851 -2.208 1.00 16.49 C ATOM 957 NZ LYS A 226 24.270 12.876 -0.729 1.00 14.67 N ATOM 958 N LYS A 227 17.334 13.572 -4.278 1.00 12.81 N ATOM 959 CA LYS A 227 16.021 14.170 -4.655 1.00 14.28 C ATOM 960 C LYS A 227 14.959 13.663 -3.679 1.00 13.86 C ATOM 961 O LYS A 227 14.229 12.718 -4.043 1.00 11.67 O ATOM 962 CB LYS A 227 15.693 13.883 -6.115 1.00 15.09 C ATOM 963 CG LYS A 227 16.618 14.629 -7.063 1.00 17.77 C ATOM 964 CD LYS A 227 16.490 14.179 -8.490 1.00 21.02 C ATOM 965 CE LYS A 227 17.321 15.037 -9.422 1.00 23.07 C ATOM 966 NZ LYS A 227 17.546 14.379 -10.735 1.00 22.66 N ATOM 967 N LEU A 228 14.957 14.224 -2.468 1.00 13.54 N ATOM 968 CA LEU A 228 14.054 13.765 -1.380 1.00 15.31 C ATOM 969 C LEU A 228 12.589 13.908 -1.833 1.00 13.53 C ATOM 970 O LEU A 228 11.751 13.093 -1.424 1.00 11.06 O ATOM 971 CB LEU A 228 14.304 14.604 -0.114 1.00 19.05 C ATOM 972 CG LEU A 228 15.673 14.478 0.584 1.00 20.59 C ATOM 973 CD1 LEU A 228 15.600 15.085 1.958 1.00 19.95 C ATOM 974 CD2 LEU A 228 16.166 13.042 0.653 1.00 17.91 C ATOM 975 N ASN A 229 12.276 14.979 -2.550 1.00 12.53 N ATOM 976 CA ASN A 229 10.901 15.271 -3.019 1.00 14.67 C ATOM 977 C ASN A 229 10.430 14.280 -4.098 1.00 13.53 C ATOM 978 O ASN A 229 9.244 14.322 -4.392 1.00 12.28 O ATOM 979 CB ASN A 229 10.743 16.746 -3.424 1.00 16.74 C ATOM 980 CG ASN A 229 11.504 17.153 -4.662 1.00 19.74 C ATOM 981 OD1 ASN A 229 12.446 16.495 -5.100 1.00 22.41 O ATOM 982 ND2 ASN A 229 11.160 18.331 -5.171 1.00 28.85 N ATOM 983 N GLU A 230 11.264 13.325 -4.540 1.00 12.51 N ATOM 984 CA GLU A 230 10.867 12.276 -5.510 1.00 12.47 C ATOM 985 C GLU A 230 10.775 10.889 -4.834 1.00 12.29 C ATOM 986 O GLU A 230 10.276 9.977 -5.492 1.00 10.05 O ATOM 987 CB GLU A 230 11.864 12.249 -6.659 1.00 13.25 C ATOM 988 CG GLU A 230 11.808 13.538 -7.455 1.00 14.52 C ATOM 989 CD GLU A 230 12.609 13.568 -8.738 1.00 15.53 C ATOM 990 OE1 GLU A 230 13.293 12.603 -9.014 1.00 16.78 O ATOM 991 OE2 GLU A 230 12.574 14.612 -9.420 1.00 17.16 O ATOM 992 N ILE A 231 11.079 10.793 -3.538 1.00 11.38 N ATOM 993 CA ILE A 231 10.903 9.553 -2.733 1.00 11.46 C ATOM 994 C ILE A 231 9.461 9.515 -2.242 1.00 11.92 C ATOM 995 O ILE A 231 9.169 10.008 -1.131 1.00 12.85 O ATOM 996 CB ILE A 231 11.922 9.444 -1.607 1.00 10.69 C ATOM 997 CG1 ILE A 231 13.337 9.564 -2.161 1.00 11.42 C ATOM 998 CG2 ILE A 231 11.714 8.121 -0.873 1.00 12.15 C ATOM 999 CD1 ILE A 231 14.396 9.674 -1.064 1.00 12.90 C ATOM 1000 N ASER A 232 8.561 9.005 -3.081 0.50 12.24 N ATOM 1001 N BSER A 232 8.570 8.978 -3.075 0.50 11.72 N ATOM 1002 CA ASER A 232 7.106 9.265 -2.957 0.50 13.34 C ATOM 1003 CA BSER A 232 7.112 9.235 -2.990 0.50 12.42 C ATOM 1004 C ASER A 232 6.326 7.985 -2.636 0.50 13.20 C ATOM 1005 C BSER A 232 6.325 7.970 -2.653 0.50 12.68 C ATOM 1006 O ASER A 232 5.093 8.040 -2.692 0.50 12.33 O ATOM 1007 O BSER A 232 5.092 8.022 -2.720 0.50 11.87 O ATOM 1008 CB ASER A 232 6.571 9.948 -4.195 0.50 13.81 C ATOM 1009 CB BSER A 232 6.610 9.872 -4.254 0.50 12.33 C ATOM 1010 OG ASER A 232 6.757 9.122 -5.328 0.50 14.54 O ATOM 1011 OG BSER A 232 7.311 11.076 -4.473 0.50 11.67 O ATOM 1012 N LYS A 233 6.990 6.896 -2.249 1.00 13.56 N ATOM 1013 CA LYS A 233 6.283 5.630 -1.913 1.00 16.20 C ATOM 1014 C LYS A 233 7.078 4.884 -0.847 1.00 14.44 C ATOM 1015 O LYS A 233 8.313 4.831 -0.973 1.00 12.98 O ATOM 1016 CB LYS A 233 6.113 4.799 -3.183 1.00 22.48 C ATOM 1017 CG LYS A 233 4.842 3.971 -3.264 1.00 29.88 C ATOM 1018 CD LYS A 233 4.768 3.148 -4.550 1.00 39.96 C ATOM 1019 CE LYS A 233 5.197 1.689 -4.417 1.00 48.67 C ATOM 1020 NZ LYS A 233 6.277 1.454 -3.418 1.00 54.08 N ATOM 1021 N LEU A 234 6.395 4.396 0.193 1.00 13.12 N ATOM 1022 CA LEU A 234 6.990 3.447 1.139 1.00 13.24 C ATOM 1023 C LEU A 234 6.306 2.101 0.966 1.00 13.44 C ATOM 1024 O LEU A 234 5.060 2.051 1.149 1.00 14.96 O ATOM 1025 CB LEU A 234 6.838 3.959 2.560 1.00 14.74 C ATOM 1026 CG LEU A 234 7.315 2.997 3.653 1.00 13.88 C ATOM 1027 CD1 LEU A 234 8.787 2.714 3.496 1.00 13.90 C ATOM 1028 CD2 LEU A 234 7.022 3.620 5.002 1.00 15.79 C ATOM 1029 N GLY A 235 7.080 1.066 0.657 1.00 12.26 N ATOM 1030 CA GLY A 235 6.581 -0.321 0.583 1.00 13.82 C ATOM 1031 C GLY A 235 6.927 -1.044 1.857 1.00 14.64 C ATOM 1032 O GLY A 235 8.059 -0.887 2.327 1.00 15.31 O ATOM 1033 N ILE A 236 5.950 -1.704 2.470 1.00 15.14 N ATOM 1034 CA ILE A 236 6.144 -2.457 3.737 1.00 15.70 C ATOM 1035 C ILE A 236 5.839 -3.923 3.433 1.00 15.41 C ATOM 1036 O ILE A 236 4.693 -4.202 3.001 1.00 14.92 O ATOM 1037 CB ILE A 236 5.225 -1.897 4.838 1.00 16.69 C ATOM 1038 CG1 ILE A 236 5.417 -0.392 5.030 1.00 17.12 C ATOM 1039 CG2 ILE A 236 5.425 -2.683 6.134 1.00 18.43 C ATOM 1040 CD1 ILE A 236 4.322 0.308 5.817 1.00 18.76 C ATOM 1041 N SER A 237 6.785 -4.826 3.670 1.00 14.48 N ATOM 1042 CA SER A 237 6.596 -6.261 3.366 1.00 14.99 C ATOM 1043 C SER A 237 7.320 -7.124 4.397 1.00 15.43 C ATOM 1044 O SER A 237 8.082 -6.581 5.259 1.00 13.20 O ATOM 1045 CB SER A 237 7.024 -6.584 1.947 1.00 16.36 C ATOM 1046 OG SER A 237 8.417 -6.382 1.799 1.00 17.64 O ATOM 1047 N GLY A 238 7.032 -8.424 4.325 1.00 15.99 N ATOM 1048 CA GLY A 238 7.679 -9.447 5.151 1.00 16.56 C ATOM 1049 C GLY A 238 6.732 -10.107 6.123 1.00 15.87 C ATOM 1050 O GLY A 238 5.495 -10.036 5.963 1.00 14.96 O ATOM 1051 N ASP A 239 7.317 -10.733 7.133 1.00 15.82 N ATOM 1052 CA ASP A 239 6.610 -11.662 8.047 1.00 16.37 C ATOM 1053 C ASP A 239 6.046 -10.879 9.239 1.00 17.41 C ATOM 1054 O ASP A 239 6.513 -11.119 10.363 1.00 18.07 O ATOM 1055 CB ASP A 239 7.561 -12.790 8.442 1.00 16.83 C ATOM 1056 CG ASP A 239 8.094 -13.520 7.214 1.00 17.32 C ATOM 1057 OD1 ASP A 239 7.291 -13.768 6.318 1.00 19.35 O ATOM 1058 OD2 ASP A 239 9.295 -13.774 7.139 1.00 15.62 O ATOM 1059 N ILE A 240 5.087 -9.976 8.985 1.00 16.49 N ATOM 1060 CA ILE A 240 4.454 -9.105 10.006 1.00 17.43 C ATOM 1061 C ILE A 240 2.942 -9.109 9.818 1.00 16.76 C ATOM 1062 O ILE A 240 2.480 -9.292 8.703 1.00 16.43 O ATOM 1063 CB ILE A 240 5.008 -7.666 9.990 1.00 17.51 C ATOM 1064 CG1 ILE A 240 4.765 -6.995 8.643 1.00 18.11 C ATOM 1065 CG2 ILE A 240 6.476 -7.666 10.352 1.00 18.01 C ATOM 1066 CD1 ILE A 240 5.277 -5.602 8.555 1.00 19.48 C ATOM 1067 N ASP A 241 2.227 -8.944 10.915 1.00 17.12 N ATOM 1068 CA ASP A 241 0.855 -8.387 10.919 1.00 20.40 C ATOM 1069 C ASP A 241 1.015 -6.870 11.026 1.00 19.63 C ATOM 1070 O ASP A 241 1.648 -6.387 11.993 1.00 18.28 O ATOM 1071 CB ASP A 241 0.049 -8.980 12.071 1.00 24.69 C ATOM 1072 CG ASP A 241 -0.181 -10.473 11.927 1.00 27.24 C ATOM 1073 OD1 ASP A 241 -0.381 -10.921 10.796 1.00 30.30 O ATOM 1074 OD2 ASP A 241 -0.148 -11.171 12.947 1.00 33.38 O ATOM 1075 N LEU A 242 0.500 -6.139 10.057 1.00 17.26 N ATOM 1076 CA LEU A 242 0.630 -4.674 10.034 1.00 17.73 C ATOM 1077 C LEU A 242 -0.611 -4.054 10.665 1.00 17.47 C ATOM 1078 O LEU A 242 -1.749 -4.336 10.198 1.00 17.65 O ATOM 1079 CB LEU A 242 0.839 -4.261 8.578 1.00 18.53 C ATOM 1080 CG LEU A 242 0.993 -2.768 8.341 1.00 18.14 C ATOM 1081 CD1 LEU A 242 2.183 -2.227 9.121 1.00 18.77 C ATOM 1082 CD2 LEU A 242 1.148 -2.531 6.843 1.00 17.91 C ATOM 1083 N THR A 243 -0.412 -3.215 11.672 1.00 16.25 N ATOM 1084 CA THR A 243 -1.512 -2.587 12.424 1.00 17.40 C ATOM 1085 C THR A 243 -1.808 -1.215 11.846 1.00 17.93 C ATOM 1086 O THR A 243 -2.982 -0.903 11.593 1.00 15.92 O ATOM 1087 CB THR A 243 -1.232 -2.536 13.932 1.00 16.71 C ATOM 1088 OG1 THR A 243 -1.106 -3.884 14.361 1.00 17.62 O ATOM 1089 CG2 THR A 243 -2.382 -1.925 14.694 1.00 18.26 C ATOM 1090 N SER A 244 -0.781 -0.407 11.643 1.00 16.74 N ATOM 1091 CA ASER A 244 -0.944 1.021 11.294 0.80 16.79 C ATOM 1092 CA BSER A 244 -0.977 0.985 11.183 0.20 15.63 C ATOM 1093 C SER A 244 0.320 1.487 10.557 1.00 15.52 C ATOM 1094 O SER A 244 1.405 0.980 10.869 1.00 14.09 O ATOM 1095 CB ASER A 244 -1.177 1.827 12.548 0.80 17.52 C ATOM 1096 CB BSER A 244 -1.463 1.879 12.298 0.20 15.19 C ATOM 1097 OG ASER A 244 -1.339 3.195 12.232 0.80 20.10 O ATOM 1098 OG BSER A 244 -0.460 2.070 13.284 0.20 14.04 O ATOM 1099 N ALA A 245 0.180 2.403 9.627 1.00 15.39 N ATOM 1100 CA ALA A 245 1.319 3.028 8.938 1.00 15.95 C ATOM 1101 C ALA A 245 0.906 4.435 8.621 1.00 17.12 C ATOM 1102 O ALA A 245 -0.085 4.575 7.915 1.00 17.84 O ATOM 1103 CB ALA A 245 1.653 2.280 7.683 1.00 17.81 C ATOM 1104 N SER A 246 1.563 5.425 9.195 1.00 16.88 N ATOM 1105 CA SER A 246 1.122 6.817 8.995 1.00 17.04 C ATOM 1106 C SER A 246 2.315 7.742 9.141 1.00 16.57 C ATOM 1107 O SER A 246 3.431 7.275 9.488 1.00 15.16 O ATOM 1108 CB SER A 246 0.005 7.158 9.938 1.00 18.35 C ATOM 1109 OG SER A 246 0.462 7.148 11.263 1.00 22.95 O ATOM 1110 N TYR A 247 2.087 9.003 8.829 1.00 16.58 N ATOM 1111 CA TYR A 247 3.144 10.021 8.886 1.00 15.32 C ATOM 1112 C TYR A 247 2.545 11.265 9.510 1.00 16.29 C ATOM 1113 O TYR A 247 1.307 11.509 9.425 1.00 16.88 O ATOM 1114 CB TYR A 247 3.768 10.225 7.500 1.00 15.58 C ATOM 1115 CG TYR A 247 2.810 10.507 6.375 1.00 15.49 C ATOM 1116 CD1 TYR A 247 2.158 11.730 6.259 1.00 16.17 C ATOM 1117 CD2 TYR A 247 2.550 9.546 5.421 1.00 15.40 C ATOM 1118 CE1 TYR A 247 1.250 11.967 5.243 1.00 16.25 C ATOM 1119 CE2 TYR A 247 1.662 9.770 4.385 1.00 17.30 C ATOM 1120 CZ TYR A 247 1.003 10.986 4.296 1.00 17.28 C ATOM 1121 OH TYR A 247 0.131 11.175 3.255 1.00 18.53 O ATOM 1122 N THR A 248 3.434 12.083 10.039 1.00 17.22 N ATOM 1123 CA THR A 248 3.098 13.418 10.532 1.00 18.64 C ATOM 1124 C THR A 248 4.340 14.298 10.413 1.00 20.31 C ATOM 1125 O THR A 248 5.427 13.771 10.212 1.00 18.58 O ATOM 1126 CB THR A 248 2.546 13.365 11.954 1.00 20.38 C ATOM 1127 OG1 THR A 248 1.916 14.643 12.109 1.00 22.07 O ATOM 1128 CG2 THR A 248 3.604 13.108 13.010 1.00 20.46 C ATOM 1129 N MET A 249 4.138 15.603 10.480 1.00 20.18 N ATOM 1130 CA AMET A 249 5.230 16.604 10.545 0.50 21.75 C ATOM 1131 CA BMET A 249 5.248 16.578 10.540 0.50 21.24 C ATOM 1132 C MET A 249 5.451 16.930 12.015 1.00 23.30 C ATOM 1133 O MET A 249 4.449 17.225 12.682 1.00 25.26 O ATOM 1134 CB AMET A 249 4.851 17.889 9.809 0.50 22.02 C ATOM 1135 CB BMET A 249 4.922 17.819 9.705 0.50 20.85 C ATOM 1136 CG AMET A 249 4.713 17.691 8.331 0.50 22.42 C ATOM 1137 CG BMET A 249 4.589 17.490 8.255 0.50 20.60 C ATOM 1138 SD AMET A 249 6.258 17.108 7.570 0.50 23.84 S ATOM 1139 SD BMET A 249 5.920 16.598 7.358 0.50 20.90 S ATOM 1140 CE AMET A 249 5.677 16.959 5.882 0.50 23.45 C ATOM 1141 CE BMET A 249 7.322 17.670 7.683 0.50 20.46 C ATOM 1142 N ILE A 250 6.686 16.851 12.491 1.00 22.78 N ATOM 1143 CA ILE A 250 7.028 17.274 13.872 1.00 25.21 C ATOM 1144 C ILE A 250 7.757 18.614 13.810 1.00 28.86 C ATOM 1145 O ILE A 250 7.891 19.224 12.745 1.00 26.09 O ATOM 1146 CB ILE A 250 7.830 16.209 14.623 1.00 26.84 C ATOM 1147 CG1 ILE A 250 9.219 15.987 14.032 1.00 28.87 C ATOM 1148 CG2 ILE A 250 7.024 14.918 14.710 1.00 30.19 C ATOM 1149 CD1 ILE A 250 10.085 15.161 14.934 1.00 28.32 C ATOM 1150 OXT ILE A 250 8.186 19.035 14.879 1.00 28.44 O TER 1151 ILE A 250 HETATM 1152 C4 4IZ A 301 18.210 -6.922 -0.596 1.00 18.05 C HETATM 1153 C5 4IZ A 301 19.753 -6.730 -0.837 1.00 18.28 C HETATM 1154 C6 4IZ A 301 20.344 -5.602 0.019 1.00 17.46 C HETATM 1155 C3 4IZ A 301 17.721 -8.092 -1.458 1.00 18.71 C HETATM 1156 O2 4IZ A 301 18.141 -10.374 -2.035 1.00 21.68 O HETATM 1157 C2 4IZ A 301 18.518 -9.335 -1.151 1.00 21.64 C HETATM 1158 O3 4IZ A 301 16.390 -8.350 -1.183 1.00 18.84 O HETATM 1159 O4 4IZ A 301 17.929 -7.193 0.798 1.00 15.65 O HETATM 1160 O6 4IZ A 301 21.765 -5.518 -0.156 1.00 16.43 O HETATM 1161 O5 4IZ A 301 20.442 -7.973 -0.490 1.00 18.56 O HETATM 1162 C1 4IZ A 301 20.025 -9.070 -1.295 1.00 21.82 C HETATM 1163 SE1 4IZ A 301 21.045 -10.639 -0.615 1.00 23.46 SE HETATM 1164 CAN 4IZ A 301 22.805 -9.990 -0.807 1.00 23.85 C HETATM 1165 OAO 4IZ A 301 23.444 -10.676 -1.926 1.00 25.74 O HETATM 1166 CAP 4IZ A 301 24.799 -10.217 -2.165 1.00 27.71 C HETATM 1167 CAV 4IZ A 301 25.285 -11.112 -3.313 1.00 31.18 C HETATM 1168 OAW 4IZ A 301 24.457 -10.733 -4.424 1.00 38.00 O HETATM 1169 CAQ 4IZ A 301 25.679 -10.442 -0.978 1.00 29.48 C HETATM 1170 OAU 4IZ A 301 25.804 -11.859 -0.637 1.00 26.99 O HETATM 1171 CAR 4IZ A 301 25.028 -9.743 0.210 1.00 27.30 C HETATM 1172 OAT 4IZ A 301 25.832 -10.048 1.316 1.00 29.85 O HETATM 1173 CAM 4IZ A 301 23.653 -10.247 0.458 1.00 24.81 C HETATM 1174 OAS 4IZ A 301 23.142 -9.578 1.620 1.00 21.69 O HETATM 1175 CL CL A 302 19.212 11.741 -6.608 1.00 20.25 CL HETATM 1176 O HOH A 401 24.363 12.047 8.729 1.00 25.29 O HETATM 1177 O HOH A 402 24.655 -13.216 9.243 1.00 30.52 O HETATM 1178 O HOH A 403 13.538 -13.727 16.844 0.50 20.09 O HETATM 1179 O HOH A 404 0.901 4.362 12.629 1.00 27.76 O HETATM 1180 O HOH A 405 10.957 -6.957 21.318 1.00 26.40 O HETATM 1181 O HOH A 406 23.160 2.533 8.234 1.00 20.63 O HETATM 1182 O HOH A 407 12.136 -5.632 -0.196 1.00 24.66 O HETATM 1183 O HOH A 408 18.667 5.746 -11.176 1.00 19.01 O HETATM 1184 O HOH A 409 22.341 -9.646 16.521 1.00 27.95 O HETATM 1185 O HOH A 410 9.082 -3.538 1.261 1.00 16.83 O HETATM 1186 O HOH A 411 -1.172 -7.595 8.157 0.50 6.34 O HETATM 1187 O HOH A 412 23.376 6.142 14.878 1.00 27.18 O HETATM 1188 O HOH A 413 8.084 6.972 -6.098 1.00 16.10 O HETATM 1189 O HOH A 414 24.767 5.869 6.609 1.00 15.17 O HETATM 1190 O HOH A 415 15.573 1.827 -11.798 1.00 20.51 O HETATM 1191 O HOH A 416 10.186 -1.383 -8.746 1.00 31.50 O HETATM 1192 O HOH A 417 12.237 -16.152 13.617 1.00 30.44 O HETATM 1193 O HOH A 418 15.447 -13.517 22.249 1.00 23.44 O HETATM 1194 O HOH A 419 14.470 14.353 -11.339 1.00 25.47 O HETATM 1195 O HOH A 420 17.930 5.167 -15.367 1.00 28.82 O HETATM 1196 O HOH A 421 3.029 9.074 -4.135 1.00 25.61 O HETATM 1197 O HOH A 422 19.251 7.307 0.146 1.00 10.48 O HETATM 1198 O HOH A 423 24.198 5.693 3.175 1.00 11.24 O HETATM 1199 O HOH A 424 4.065 9.330 12.482 1.00 16.81 O HETATM 1200 O HOH A 425 17.677 12.170 18.084 0.50 11.52 O HETATM 1201 O HOH A 426 16.615 0.370 -9.097 1.00 15.92 O HETATM 1202 O HOH A 427 15.635 -8.904 1.416 1.00 23.81 O HETATM 1203 O HOH A 428 17.346 7.437 -7.377 1.00 13.50 O HETATM 1204 O HOH A 429 17.666 9.492 0.582 1.00 13.82 O HETATM 1205 O HOH A 430 1.480 9.473 12.490 1.00 23.46 O HETATM 1206 O HOH A 431 -0.609 8.831 1.871 1.00 29.60 O HETATM 1207 O HOH A 432 22.354 -5.776 -7.496 1.00 28.88 O HETATM 1208 O HOH A 433 9.378 -5.717 19.441 1.00 18.54 O HETATM 1209 O HOH A 434 19.065 18.403 3.479 1.00 17.92 O HETATM 1210 O HOH A 435 16.623 -14.175 7.505 1.00 21.54 O HETATM 1211 O HOH A 436 27.788 -4.761 0.406 1.00 24.56 O HETATM 1212 O HOH A 437 10.086 3.776 17.993 1.00 11.71 O HETATM 1213 O HOH A 438 22.754 -12.785 15.894 1.00 26.96 O HETATM 1214 O HOH A 439 20.744 -6.904 19.759 1.00 27.52 O HETATM 1215 O HOH A 440 22.285 8.382 -5.896 1.00 29.14 O HETATM 1216 O HOH A 441 19.296 12.323 -9.591 1.00 27.28 O HETATM 1217 O HOH A 442 27.026 2.073 -2.683 1.00 26.09 O HETATM 1218 O HOH A 443 17.109 6.367 22.130 1.00 24.86 O HETATM 1219 O HOH A 444 -5.056 -2.821 3.945 1.00 19.86 O HETATM 1220 O HOH A 445 14.272 -6.493 -2.099 1.00 28.10 O HETATM 1221 O HOH A 446 15.486 -10.833 3.599 1.00 28.84 O HETATM 1222 O HOH A 447 23.316 -6.810 -2.341 1.00 29.82 O HETATM 1223 O HOH A 448 4.494 6.987 19.235 0.50 13.59 O HETATM 1224 O HOH A 449 17.712 10.830 -12.114 1.00 24.80 O HETATM 1225 O HOH A 450 9.439 -7.452 17.430 1.00 16.92 O HETATM 1226 O HOH A 451 -0.519 9.708 7.502 1.00 32.64 O HETATM 1227 O HOH A 452 5.483 -9.594 2.020 1.00 22.87 O HETATM 1228 O HOH A 453 24.279 2.969 -3.396 1.00 18.28 O HETATM 1229 O HOH A 454 16.000 2.711 -14.116 1.00 23.64 O HETATM 1230 O HOH A 455 24.017 4.323 12.514 1.00 22.17 O HETATM 1231 O HOH A 456 23.174 1.584 -5.427 1.00 22.55 O HETATM 1232 O HOH A 457 21.651 -9.526 -4.898 1.00 30.42 O HETATM 1233 O HOH A 458 -2.893 2.980 9.204 1.00 21.18 O HETATM 1234 O HOH A 459 20.241 -10.527 18.383 1.00 31.01 O HETATM 1235 O HOH A 460 20.053 8.812 -7.157 1.00 20.08 O CONECT 1152 1153 1155 1159 CONECT 1153 1152 1154 1161 CONECT 1154 1153 1160 CONECT 1155 1152 1157 1158 CONECT 1156 1157 CONECT 1157 1155 1156 1162 CONECT 1158 1155 CONECT 1159 1152 CONECT 1160 1154 CONECT 1161 1153 1162 CONECT 1162 1157 1161 1163 CONECT 1163 1162 1164 CONECT 1164 1163 1165 1173 CONECT 1165 1164 1166 CONECT 1166 1165 1167 1169 CONECT 1167 1166 1168 CONECT 1168 1167 CONECT 1169 1166 1170 1171 CONECT 1170 1169 CONECT 1171 1169 1172 1173 CONECT 1172 1171 CONECT 1173 1164 1171 1174 CONECT 1174 1173 MASTER 267 0 2 1 17 0 0 6 1196 1 23 11 END If you find results from this site helpful for your research, please cite one of our papers:
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