USER MOD reduce.3.24.130724 H: found=0, std=0, add=1699, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 01-MAR-17 5NB7 TITLE COMPLEMENT FACTOR D COMPND MOL_ID: 1; COMPND 2 MOLECULE: COMPLEMENT FACTOR D; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: ADIPSIN,C3 CONVERTASE ACTIVATOR,PROPERDIN FACTOR D; COMPND 5 EC: 3.4.21.46; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: CFD, DF, PFD; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR A.MAC SWEENEY,N.OSTERMANN REVDAT 1 28-JUN-17 5NB7 0 JRNL AUTH E.LORTHIOIS,K.ANDERSON,A.VULPETTI,O.ROGEL,F.CUMIN, JRNL AUTH 2 N.OSTERMANN,S.STEINBACHER,A.MAC SWEENEY,O.DELGADO,S.M.LIAO, JRNL AUTH 3 S.RANDL,S.RUDISSER,S.DUSSAUGE,K.FETTIS,L.KIEFFER, JRNL AUTH 4 A.DE EKERNEZ,L.YANG,C.HARTWIEG,U.A.ARGIKAR,L.R.LABONTE, JRNL AUTH 5 R.NEWTON,V.KANSARA,S.FLOHR,U.HOMMEL,B.JAFFEE,J.MAIBAUM JRNL TITL DISCOVERY OF HIGHLY POTENT AND SELECTIVE SMALL-MOLECULE JRNL TITL 2 REVERSIBLE FACTOR D INHIBITORS DEMONSTRATING ALTERNATIVE JRNL TITL 3 COMPLEMENT PATHWAY INHIBITION IN VIVO. JRNL REF J. MED. CHEM. 2017 JRNL REFN ISSN 1520-4804 JRNL PMID 28621538 JRNL DOI 10.1021/ACS.JMEDCHEM.7B00425 REMARK 2 REMARK 2 RESOLUTION. 1.33 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.8.0158 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.33 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 29.07 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 99.1 REMARK 3 NUMBER OF REFLECTIONS : 44675 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) : 0.143 REMARK 3 R VALUE (WORKING SET) : 0.140 REMARK 3 FREE R VALUE : 0.196 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 2351 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) : 1.33 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.36 REMARK 3 REFLECTION IN BIN (WORKING SET) : 3250 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 98.45 REMARK 3 BIN R VALUE (WORKING SET) : 0.2140 REMARK 3 BIN FREE R VALUE SET COUNT : 171 REMARK 3 BIN FREE R VALUE : 0.2580 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1701 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 39 REMARK 3 SOLVENT ATOMS : 215 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 18.66 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.47000 REMARK 3 B22 (A**2) : -0.64000 REMARK 3 B33 (A**2) : 0.90000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.12000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.051 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.056 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.040 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.141 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.977 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.960 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1789 ; 0.030 ; 0.019 REMARK 3 BOND LENGTHS OTHERS (A): 1647 ; 0.001 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2446 ; 2.560 ; 1.959 REMARK 3 BOND ANGLES OTHERS (DEGREES): 3812 ; 2.006 ; 2.986 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 233 ; 6.633 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 71 ;36.526 ;23.239 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 270 ;12.710 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 14 ;18.010 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 278 ; 0.522 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2025 ; 0.014 ; 0.021 REMARK 3 GENERAL PLANES OTHERS (A): 343 ; 0.012 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL 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): 923 ; 3.006 ; 1.554 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 922 ; 2.987 ; 1.551 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1153 ; 3.413 ; 2.345 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): 1154 ; 3.416 ; 2.348 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 866 ; 4.575 ; 1.954 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): 865 ; 4.564 ; 1.955 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): 1289 ; 5.051 ; 2.777 REMARK 3 LONG RANGE B REFINED ATOMS (A**2): 1980 ; 4.948 ;20.763 REMARK 3 LONG RANGE B OTHER ATOMS (A**2): 1981 ; 4.947 ;20.756 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): 3436 ; 6.352 ; 3.000 REMARK 3 SPHERICITY; FREE ATOMS (A**2): 145 ;31.467 ; 5.000 REMARK 3 SPHERICITY; BONDED ATOMS (A**2): 3463 ;13.586 ; 5.000 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 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 THE RIDING REMARK 3 POSITIONS REMARK 4 REMARK 4 5NB7 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 01-MAR-17. REMARK 100 THE DEPOSITION ID IS D_1200003818. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 05-MAY-09 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SLS REMARK 200 BEAMLINE : X10SA REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.0000 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : XSCALE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 47029 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.330 REMARK 200 RESOLUTION RANGE LOW (A) : 30.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.0 REMARK 200 DATA REDUNDANCY : 3.300 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 18.5100 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.33 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.39 REMARK 200 COMPLETENESS FOR SHELL (%) : 98.6 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 : 3.600 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: 1DSU REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 42.12 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.13 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 22% PEG 3350, 0.1 M HEPES PH 7.5, 50 REMARK 280 MM NACL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K 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 24.94200 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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 420 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 9860 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: 3.0 KCAL/MOL 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 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 ARG A 126 CG CD NE CZ NH1 NH2 REMARK 470 ARG A 151 NE CZ NH1 NH2 REMARK 470 ARG A 170 CD NE CZ NH1 NH2 REMARK 470 ARG A 170A CG CD NE CZ NH1 NH2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 NH2 ARG A 150 O HOH A 401 1.90 REMARK 500 O HOH A 569 O HOH A 571 2.16 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 565 O HOH A 567 2555 0.84 REMARK 500 O HOH A 428 O HOH A 529 2545 1.49 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 GLY A 19 N GLY A 19 CA -0.115 REMARK 500 GLU A 60 CD GLU A 60 OE1 0.066 REMARK 500 ASP A 97 N ASP A 97 CA 0.136 REMARK 500 GLU A 110 CD GLU A 110 OE2 -0.079 REMARK 500 VAL A 138 CB VAL A 138 CG1 -0.128 REMARK 500 GLU A 210 CD GLU A 210 OE2 -0.094 REMARK 500 VAL A 219 CB VAL A 219 CG1 -0.148 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 87 NE - CZ - NH1 ANGL. DEV. = 3.0 DEGREES REMARK 500 ARG A 87 NE - CZ - NH2 ANGL. DEV. = -4.7 DEGREES REMARK 500 ARG A 150 NE - CZ - NH1 ANGL. DEV. = 4.3 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A 54 -158.40 -148.59 REMARK 500 ASP A 97 -6.55 87.16 REMARK 500 HIS A 171 -114.23 -105.96 REMARK 500 ARG A 187 -58.31 69.11 REMARK 500 SER A 195 132.83 -38.90 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue DMS A 301 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue DMS A 302 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue 8NQ A 303 DBREF 5NB7 A 16 243 UNP P00746 CFAD_HUMAN 26 253 SEQADV 5NB7 SER A 244 UNP P00746 EXPRESSION TAG SEQADV 5NB7 ALA A 245 UNP P00746 EXPRESSION TAG SEQRES 1 A 230 ILE LEU GLY GLY ARG GLU ALA GLU ALA HIS ALA ARG PRO SEQRES 2 A 230 TYR MET ALA SER VAL GLN LEU ASN GLY ALA HIS LEU CYS SEQRES 3 A 230 GLY GLY VAL LEU VAL ALA GLU GLN TRP VAL LEU SER ALA SEQRES 4 A 230 ALA HIS CYS LEU GLU ASP ALA ALA ASP GLY LYS VAL GLN SEQRES 5 A 230 VAL LEU LEU GLY ALA HIS SER LEU SER GLN PRO GLU PRO SEQRES 6 A 230 SER LYS ARG LEU TYR ASP VAL LEU ARG ALA VAL PRO HIS SEQRES 7 A 230 PRO ASP SER GLN PRO ASP THR ILE ASP HIS ASP LEU LEU SEQRES 8 A 230 LEU LEU GLN LEU SER GLU LYS ALA THR LEU GLY PRO ALA SEQRES 9 A 230 VAL ARG PRO LEU PRO TRP GLN ARG VAL ASP ARG ASP VAL SEQRES 10 A 230 ALA PRO GLY THR LEU CYS ASP VAL ALA GLY TRP GLY ILE SEQRES 11 A 230 VAL ASN HIS ALA GLY ARG ARG PRO ASP SER LEU GLN HIS SEQRES 12 A 230 VAL LEU LEU PRO VAL LEU ASP ARG ALA THR CYS ASN ARG SEQRES 13 A 230 ARG THR HIS HIS ASP GLY ALA ILE THR GLU ARG LEU MET SEQRES 14 A 230 CYS ALA GLU SER ASN ARG ARG ASP SER CYS LYS GLY ASP SEQRES 15 A 230 SER GLY GLY PRO LEU VAL CYS GLY GLY VAL LEU GLU GLY SEQRES 16 A 230 VAL VAL THR SER GLY SER ARG VAL CYS GLY ASN ARG LYS SEQRES 17 A 230 LYS PRO GLY ILE TYR THR ARG VAL ALA SER TYR ALA ALA SEQRES 18 A 230 TRP ILE ASP SER VAL LEU ALA SER ALA HET DMS A 301 4 HET DMS A 302 4 HET 8NQ A 303 31 HETNAM DMS DIMETHYL SULFOXIDE HETNAM 8NQ 1-[2-[(1~{R},3~{S},5~{R})-3-[(6-BROMANYLPYRIDIN-2-YL) HETNAM 2 8NQ CARBAMOYL]-2-AZABICYCLO[3.1.0]HEXAN-2-YL]-2- HETNAM 3 8NQ OXIDANYLIDENE-ETHYL]INDAZOLE-3-CARBOXAMIDE FORMUL 2 DMS 2(C2 H6 O S) FORMUL 4 8NQ C21 H19 BR N6 O3 FORMUL 5 HOH *215(H2 O) HELIX 1 AA1 ALA A 55 GLU A 60 5 6 HELIX 2 AA2 ASP A 164 ARG A 170 1 7 HELIX 3 AA3 TYR A 234 ALA A 243 1 10 SHEET 1 AA1 8 ARG A 20 GLU A 21 0 SHEET 2 AA1 8 GLN A 156 LEU A 163 -1 O HIS A 157 N ARG A 20 SHEET 3 AA1 8 LEU A 180 ALA A 183 -1 O CYS A 182 N LEU A 163 SHEET 4 AA1 8 GLY A 226 ARG A 230 -1 O TYR A 228 N MET A 181 SHEET 5 AA1 8 VAL A 208 VAL A 213 -1 N VAL A 212 O THR A 229 SHEET 6 AA1 8 PRO A 198 CYS A 201 -1 N LEU A 199 O GLY A 211 SHEET 7 AA1 8 LEU A 135 GLY A 140 -1 N ASP A 137 O VAL A 200 SHEET 8 AA1 8 GLN A 156 LEU A 163 -1 O LEU A 160 N CYS A 136 SHEET 1 AA2 7 MET A 30 LEU A 35 0 SHEET 2 AA2 7 ALA A 39 ALA A 48 -1 O CYS A 42 N VAL A 33 SHEET 3 AA2 7 TRP A 51 SER A 54 -1 O LEU A 53 N VAL A 45 SHEET 4 AA2 7 LEU A 104 LEU A 108 -1 O LEU A 104 N SER A 54 SHEET 5 AA2 7 ARG A 81 PRO A 90 -1 N VAL A 89 O LEU A 105 SHEET 6 AA2 7 VAL A 64 LEU A 68 -1 N VAL A 66 O TYR A 83 SHEET 7 AA2 7 MET A 30 LEU A 35 -1 N SER A 32 O LEU A 67 SSBOND *** CYS A 42 CYS A 58 1555 1555 2.07 SSBOND *** CYS A 136 CYS A 201 1555 1555 2.03 SSBOND *** CYS A 168 CYS A 182 1555 1555 2.07 SSBOND *** CYS A 191 CYS A 220 1555 1555 2.05 SITE *** AC1 7 ALA A 22 ALA A 232 SER A 233 TYR A 234 SITE *** AC1 7 ALA A 235 ALA A 236 HOH A 550 SITE *** AC2 2 ASP A 129A GLU A 178 SITE *** AC3 15 LEU A 41 HIS A 57 CYS A 58 TRP A 141 SITE *** AC3 15 CYS A 191 LYS A 192 GLY A 193 SER A 195 SITE *** AC3 15 VAL A 213 THR A 214 SER A 215 GLY A 216 SITE *** AC3 15 SER A 217 ARG A 218 HOH A 404 CRYST1 55.801 49.884 39.088 90.00 106.08 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 0.017921 0.000000 0.005166 0.00000 SCALE2 0.000000 0.020047 0.000000 0.00000 SCALE3 0.000000 0.000000 0.026625 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 HIS : no HD1:sc= 0.888 K(o=3.4,f=-6.3!) USER MOD Set 1.2: A 234 TYR OH : rot -20:sc= 2.47 USER MOD Set 2.1: A 190 SER OG : rot 42:sc= 2.44 USER MOD Set 2.2: A 228 TYR OH : rot -128:sc= 2.37 USER MOD Set 3.1: A 170BTHR OG1 : rot 74:sc= 1.36 USER MOD Set 3.2: A 171 HIS : no HD1:sc= 2.08 K(o=3.4,f=-7!) USER MOD Set 4.1: A 32 SER OG : rot 70:sc= 1.77 USER MOD Set 4.2: A 34 GLN : amide:sc= 1.71 K(o=5.4,f=4.9) USER MOD Set 4.3: A 40 HIS : no HD1:sc= 1.96 K(o=5.4,f=-6.3!) USER MOD Single : A 25 HIS : no HD1:sc= 0.73 K(o=0.73,f=-2.4!) USER MOD Single : A 29 TYR OH : rot 180:sc= 1.03 USER MOD Single : A 30 MET CE :methyl -175:sc= 0 (180deg=-0.105) USER MOD Single : A 36 ASN : amide:sc= 0.696 K(o=0.7,f=-1.9!) USER MOD Single : A 50 GLN : amide:sc= 0.657 K(o=0.66,f=-1.1) USER MOD Single : A 54 SER OG : rot 88:sc= 1.17 USER MOD Single : A 57 HIS : no HE2:sc= 0.527 K(o=0.53,f=-2!) USER MOD Single : A 63 LYS NZ :NH3+ -130:sc= -0.322 (180deg=-3.58!) USER MOD Single : A 65 GLN : amide:sc= 0.737 K(o=0.74,f=0.16) USER MOD Single : A 71 HIS : no HD1:sc= 1.49 K(o=1.5,f=-4.2!) USER MOD Single : A 72 SER OG : rot 90:sc= 1.68 USER MOD Single : A 74 SER OG : rot -99:sc= 2.33 USER MOD Single : A 75 GLN : amide:sc= 0.785 X(o=0.78,f=1.1) USER MOD Single : A 79 SER OG : rot 80:sc= 1.67 USER MOD Single : A 80 LYS NZ :NH3+ 174:sc= 2.41 (180deg=2.36) USER MOD Single : A 83 TYR OH : rot 30:sc= 1.56 USER MOD Single : A 91 HIS : no HD1:sc= 1.57 K(o=1.6,f=-8.1!) USER MOD Single : A 94 SER OG : rot -71:sc= 1.2 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot -39:sc= 0.275 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 109 SER OG A: rot -131:sc= 1.45 USER MOD Single : A 109 SER OG B: rot -170:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 1.11 K(o=1.1,f=-3.6!) USER MOD Single : A 134 THR OG1 : rot 65:sc= 2.38 USER MOD Single : A 145 ASN : amide:sc= -0.286 K(o=-0.29,f=-6.2!) USER MOD Single : A 146 HIS : no HD1:sc= -0.0558 X(o=-0.056,f=0.15) USER MOD Single : A 154 SER OG A: rot -113:sc= 0.07 USER MOD Single : A 154 SER OG B: rot -159:sc= 0.847 USER MOD Single : A 156 GLN : amide:sc= 0.739 X(o=0.74,f=0.48) USER MOD Single : A 157 HIS : no HE2:sc= -0.146 K(o=-0.15,f=-7.8!) USER MOD Single : A 167 THR OG1 : rot 126:sc= 1.28 USER MOD Single : A 169 ASN : amide:sc= 0.418 K(o=0.42,f=-6!) USER MOD Single : A 172 HIS : no HD1:sc= 2.2 K(o=2.2,f=-6.6!) USER MOD Single : A 177 THR OG1 : rot -151:sc= 1.19 USER MOD Single : A 181 MET CE :methyl -179:sc= 0 (180deg=-0.00257) USER MOD Single : A 185 SER OG : rot 113:sc= 0.626 USER MOD Single : A 186 ASN : amide:sc= -0.388 K(o=-0.39,f=0.63) USER MOD Single : A 192 LYS NZ :NH3+ -149:sc= 0.279 (180deg=0.0676) USER MOD Single : A 195 SER OG : rot 92:sc= 0.353 USER MOD Single : A 214 THR OG1 : rot -82:sc= 1.52 USER MOD Single : A 215 SER OG : rot -33:sc= -0.371 USER MOD Single : A 217 SER OG : rot 86:sc= 1.01 USER MOD Single : A 222 ASN : amide:sc= 1.06 K(o=1.1,f=-4.8!) USER MOD Single : A 223ALYS NZ :NH3+ 177:sc= 0.0617 (180deg=0.0555) USER MOD Single : A 224 LYS NZ :NH3+ -132:sc= 0.31 (180deg=-0.0457) USER MOD Single : A 229 THR OG1 : rot 121:sc= 2.36 USER MOD Single : A 233 SER OG : rot 74:sc= 1.81 USER MOD Single : A 240 SER OG : rot -170:sc= 2.18 USER MOD Single : A 244 SER OG : rot -45:sc= 2.16 USER MOD Single : A 301 DMS C1 :methyl 179:sc= 0 (180deg=-0.00171) USER MOD Single : A 301 DMS C2 :methyl -178:sc= 0 (180deg=-0.00348) USER MOD Single : A 302 DMS C1 :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 302 DMS C2 :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 16 5.203 1.254 9.867 1.00 15.72 N ANISOU 1 N ILE A 16 1458 3870 642 -728 202 -780 N ATOM 2 CA ILE A 16 4.536 -0.096 9.722 1.00 17.02 C ANISOU 2 CA ILE A 16 1596 3526 1342 -968 721 -1295 C ATOM 3 C ILE A 16 3.159 -0.047 10.398 1.00 19.48 C ANISOU 3 C ILE A 16 1865 3717 1820 -1184 945 -1739 C ATOM 4 O ILE A 16 3.021 0.360 11.517 1.00 19.44 O ANISOU 4 O ILE A 16 2126 3594 1665 -957 1121 -1636 O ATOM 5 CB ILE A 16 5.369 -1.204 10.353 1.00 19.44 C ANISOU 5 CB ILE A 16 2275 3732 1379 -1217 1027 -1284 C ATOM 6 CG1 ILE A 16 6.743 -1.280 9.801 1.00 16.89 C ANISOU 6 CG1 ILE A 16 2164 3245 1008 -1032 862 -762 C ATOM 7 CG2 ILE A 16 4.665 -2.468 10.442 1.00 20.96 C ANISOU 7 CG2 ILE A 16 2580 3660 1723 -1288 1091 -972 C ATOM 8 CD1 ILE A 16 6.930 -1.888 8.415 1.00 17.67 C ANISOU 8 CD1 ILE A 16 2003 3274 1435 -548 634 -1280 C ATOM 0 HA ILE A 16 4.446 -0.292 8.776 1.00 17.02 H new ATOM 0 HB ILE A 16 5.504 -0.954 11.280 1.00 19.44 H new ATOM 0 HG12 ILE A 16 7.105 -0.380 9.781 1.00 16.89 H new ATOM 0 HG13 ILE A 16 7.285 -1.790 10.424 1.00 16.89 H new ATOM 0 HG21 ILE A 16 5.242 -3.132 10.850 1.00 20.96 H new ATOM 0 HG22 ILE A 16 3.868 -2.357 10.983 1.00 20.96 H new ATOM 0 HG23 ILE A 16 4.413 -2.762 9.552 1.00 20.96 H new ATOM 0 HD11 ILE A 16 7.871 -1.875 8.180 1.00 17.67 H new ATOM 0 HD12 ILE A 16 6.611 -2.804 8.417 1.00 17.67 H new ATOM 0 HD13 ILE A 16 6.428 -1.373 7.765 1.00 17.67 H new ATOM 9 N LEU A 17 2.125 -0.446 9.664 1.00 20.43 N ANISOU 9 N LEU A 17 1622 4077 2062 -1065 507 -1309 N ATOM 10 CA LEU A 17 0.822 -0.554 10.206 1.00 21.24 C ANISOU 10 CA LEU A 17 1827 4335 1906 -744 819 -499 C ATOM 11 C LEU A 17 0.530 -2.007 10.516 1.00 19.30 C ANISOU 11 C LEU A 17 1786 4575 971 -390 -36 -560 C ATOM 12 O LEU A 17 0.829 -2.851 9.745 1.00 21.19 O ANISOU 12 O LEU A 17 2103 4457 1490 -1195 619 -1057 O ATOM 13 CB LEU A 17 -0.174 -0.070 9.239 1.00 21.59 C ANISOU 13 CB LEU A 17 1852 4811 1537 -367 780 -1658 C ATOM 14 CG LEU A 17 -0.062 1.377 8.697 1.00 26.83 C ANISOU 14 CG LEU A 17 2753 4210 3230 -206 518 -1643 C ATOM 15 CD1 LEU A 17 -1.340 1.680 7.989 1.00 28.12 C ANISOU 15 CD1 LEU A 17 3573 5136 1974 -171 224 -955 C ATOM 16 CD2 LEU A 17 0.022 2.366 9.829 1.00 26.72 C ANISOU 16 CD2 LEU A 17 2324 5231 2596 -682 940 -1617 C ATOM 0 H LEU A 17 2.181 -0.659 8.833 1.00 20.43 H new ATOM 0 HA LEU A 17 0.773 -0.019 11.013 1.00 21.24 H new ATOM 0 HB2 LEU A 17 -0.156 -0.669 8.477 1.00 21.59 H new ATOM 0 HB3 LEU A 17 -1.048 -0.161 9.650 1.00 21.59 H new ATOM 0 HG LEU A 17 0.724 1.444 8.132 1.00 26.83 H new ATOM 0 HD11 LEU A 17 -1.308 2.582 7.634 1.00 28.12 H new ATOM 0 HD12 LEU A 17 -1.464 1.051 7.261 1.00 28.12 H new ATOM 0 HD13 LEU A 17 -2.081 1.604 8.611 1.00 28.12 H new ATOM 0 HD21 LEU A 17 0.091 3.264 9.470 1.00 26.72 H new ATOM 0 HD22 LEU A 17 -0.775 2.298 10.378 1.00 26.72 H new ATOM 0 HD23 LEU A 17 0.804 2.173 10.370 1.00 26.72 H new ATOM 17 N GLY A 18 -0.145 -2.239 11.621 1.00 26.36 N ANISOU 17 N GLY A 18 2858 5213 1944 -1778 1238 -1479 N ATOM 18 CA GLY A 18 -0.474 -3.606 12.010 1.00 19.37 C ANISOU 18 CA GLY A 18 1500 5202 656 -672 82 -296 C ATOM 19 C GLY A 18 0.586 -4.528 12.476 1.00 21.59 C ANISOU 19 C GLY A 18 1998 4285 1918 -1359 885 -1438 C ATOM 20 O GLY A 18 0.348 -5.729 12.468 1.00 24.33 O ANISOU 20 O GLY A 18 2382 4953 1907 -1691 740 -1499 O ATOM 0 H GLY A 18 -0.423 -1.630 12.161 1.00 26.36 H new ATOM 0 HA2 GLY A 18 -1.137 -3.552 12.716 1.00 19.37 H new ATOM 0 HA3 GLY A 18 -0.904 -4.025 11.248 1.00 19.37 H new ATOM 21 N GLY A 19 1.779 -3.963 12.823 1.00 20.78 N ANISOU 21 N GLY A 19 1732 4249 1913 -1136 822 -996 N ATOM 22 CA GLY A 19 2.857 -4.682 13.168 1.00 21.39 C ANISOU 22 CA GLY A 19 2007 4683 1435 -1055 824 -1153 C ATOM 23 C GLY A 19 3.023 -4.681 14.654 1.00 21.01 C ANISOU 23 C GLY A 19 2234 4558 1187 -729 707 -1364 C ATOM 24 O GLY A 19 2.064 -4.525 15.431 1.00 20.50 O ANISOU 24 O GLY A 19 2204 4314 1270 -677 590 -414 O ATOM 0 H GLY A 19 1.910 -3.113 12.841 1.00 20.78 H new ATOM 0 HA2 GLY A 19 2.763 -5.592 12.847 1.00 21.39 H new ATOM 0 HA3 GLY A 19 3.649 -4.313 12.747 1.00 21.39 H new ATOM 25 N ARG A 20 4.219 -5.046 15.075 1.00 18.28 N ANISOU 25 N ARG A 20 2463 3197 1284 -1239 951 -279 N ATOM 26 CA ARG A 20 4.538 -5.185 16.532 1.00 22.88 C ANISOU 26 CA ARG A 20 3340 4342 1010 -1263 1047 -196 C ATOM 27 C ARG A 20 5.980 -4.737 16.661 1.00 19.02 C ANISOU 27 C ARG A 20 2807 3347 1073 -1232 903 -270 C ATOM 28 O ARG A 20 6.695 -4.650 15.622 1.00 17.31 O ANISOU 28 O ARG A 20 2940 2804 832 -937 854 -691 O ATOM 29 CB ARG A 20 4.501 -6.655 17.053 1.00 27.28 C ANISOU 29 CB ARG A 20 3449 4332 2582 -2184 573 216 C ATOM 30 CG ARG A 20 3.154 -7.262 16.892 1.00 32.70 C ANISOU 30 CG ARG A 20 3316 5083 4022 -1150 411 -1045 C ATOM 31 CD ARG A 20 3.139 -8.778 16.862 1.00 49.12 C ANISOU 31 CD ARG A 20 6917 5269 6477 -572 -326 934 C ATOM 32 NE ARG A 20 3.669 -9.295 18.111 1.00 54.99 N ANISOU 32 NE ARG A 20 8449 7223 5220 -306 -722 832 N ATOM 33 CZ ARG A 20 3.027 -10.125 18.955 1.00 66.42 C ANISOU 33 CZ ARG A 20 6309 10741 8186 -1585 863 -110 C ATOM 34 NH1 ARG A 20 1.776 -10.550 18.729 1.00 80.75 N ANISOU 34 NH1 ARG A 20 5818 12288 12574 -603 -313 -1252 N ATOM 35 NH2 ARG A 20 3.643 -10.546 20.068 1.00 83.52 N ANISOU 35 NH2 ARG A 20 9628 9891 12214 902 -2349 826 N ATOM 0 H ARG A 20 4.877 -5.223 14.551 1.00 18.28 H new ATOM 0 HA ARG A 20 3.884 -4.678 17.038 1.00 22.88 H new ATOM 0 HB2 ARG A 20 5.155 -7.186 16.572 1.00 27.28 H new ATOM 0 HB3 ARG A 20 4.755 -6.673 17.989 1.00 27.28 H new ATOM 0 HG2 ARG A 20 2.588 -6.960 17.619 1.00 32.70 H new ATOM 0 HG3 ARG A 20 2.760 -6.931 16.070 1.00 32.70 H new ATOM 0 HD2 ARG A 20 2.234 -9.099 16.727 1.00 49.12 H new ATOM 0 HD3 ARG A 20 3.669 -9.101 16.117 1.00 49.12 H new ATOM 0 HE ARG A 20 4.463 -9.049 18.331 1.00 54.99 H new ATOM 0 HH11 ARG A 20 1.355 -10.293 18.025 1.00 80.75 H new ATOM 0 HH12 ARG A 20 1.394 -11.080 19.288 1.00 80.75 H new ATOM 0 HH21 ARG A 20 4.444 -10.286 20.240 1.00 83.52 H new ATOM 0 HH22 ARG A 20 3.237 -11.076 20.610 1.00 83.52 H new ATOM 36 N GLU A 21 6.481 -4.468 17.905 1.00 16.31 N ANISOU 36 N GLU A 21 2914 2447 833 -747 427 -37 N ATOM 37 CA GLU A 21 7.783 -4.049 18.075 1.00 16.23 C ANISOU 37 CA GLU A 21 2792 2567 808 -553 1085 -549 C ATOM 38 C GLU A 21 8.708 -5.198 17.782 1.00 17.51 C ANISOU 38 C GLU A 21 3187 2475 991 -798 1049 -707 C ATOM 39 O GLU A 21 8.480 -6.375 18.237 1.00 17.45 O ANISOU 39 O GLU A 21 2573 2685 1372 -701 622 -309 O ATOM 40 CB GLU A 21 7.974 -3.643 19.611 1.00 17.89 C ANISOU 40 CB GLU A 21 3083 2757 956 -287 668 -580 C ATOM 41 CG GLU A 21 9.286 -2.885 19.812 1.00 19.49 C ANISOU 41 CG GLU A 21 3721 3215 467 -1015 463 -241 C ATOM 42 CD GLU A 21 9.581 -2.249 21.099 1.00 20.94 C ANISOU 42 CD GLU A 21 2557 3949 1450 -697 -117 -1144 C ATOM 43 OE1 GLU A 21 8.615 -1.760 21.709 1.00 20.00 O ANISOU 43 OE1 GLU A 21 3790 2885 921 -393 334 -140 O ATOM 44 OE2 GLU A 21 10.764 -2.484 21.591 1.00 20.69 O ANISOU 44 OE2 GLU A 21 2827 3921 1110 -645 482 -459 O ATOM 0 H GLU A 21 6.030 -4.541 18.634 1.00 16.31 H new ATOM 0 HA GLU A 21 7.976 -3.302 17.487 1.00 16.23 H new ATOM 0 HB2 GLU A 21 7.230 -3.092 19.899 1.00 17.89 H new ATOM 0 HB3 GLU A 21 7.968 -4.440 20.164 1.00 17.89 H new ATOM 0 HG2 GLU A 21 10.008 -3.506 19.626 1.00 19.49 H new ATOM 0 HG3 GLU A 21 9.325 -2.193 19.134 1.00 19.49 H new ATOM 45 N ALA A 22 9.719 -4.981 16.944 1.00 15.81 N ANISOU 45 N ALA A 22 2504 2559 943 -618 833 -543 N ATOM 46 CA ALA A 22 10.762 -5.981 16.711 1.00 16.06 C ANISOU 46 CA ALA A 22 2364 2309 1426 -729 856 -478 C ATOM 47 C ALA A 22 11.572 -6.325 17.947 1.00 17.17 C ANISOU 47 C ALA A 22 2834 2279 1410 -400 1040 -356 C ATOM 48 O ALA A 22 11.741 -5.480 18.858 1.00 19.28 O ANISOU 48 O ALA A 22 3110 2485 1730 -1054 1217 -544 O ATOM 49 CB ALA A 22 11.692 -5.397 15.627 1.00 17.57 C ANISOU 49 CB ALA A 22 2591 2553 1530 -426 1104 -385 C ATOM 0 H ALA A 22 9.821 -4.254 16.496 1.00 15.81 H new ATOM 0 HA ALA A 22 10.340 -6.812 16.441 1.00 16.06 H new ATOM 0 HB1 ALA A 22 12.404 -6.028 15.437 1.00 17.57 H new ATOM 0 HB2 ALA A 22 11.183 -5.232 14.818 1.00 17.57 H new ATOM 0 HB3 ALA A 22 12.075 -4.564 15.943 1.00 17.57 H new ATOM 50 N GLU A 23 12.168 -7.554 17.967 1.00 18.42 N ANISOU 50 N GLU A 23 2287 2473 2236 -713 973 -471 N ATOM 51 CA GLU A 23 13.237 -7.930 18.959 1.00 21.34 C ANISOU 51 CA GLU A 23 2777 3070 2258 -908 719 -12 C ATOM 52 C GLU A 23 14.396 -7.043 18.713 1.00 17.78 C ANISOU 52 C GLU A 23 3121 2306 1327 -986 728 122 C ATOM 53 O GLU A 23 14.778 -6.806 17.530 1.00 15.89 O ANISOU 53 O GLU A 23 2499 2525 1011 -396 417 303 O ATOM 54 CB GLU A 23 13.606 -9.385 18.801 1.00 21.77 C ANISOU 54 CB GLU A 23 3044 2793 2432 -1046 559 271 C ATOM 55 CG GLU A 23 14.607 -9.936 19.746 1.00 42.50 C ANISOU 55 CG GLU A 23 5534 5405 5208 362 -440 421 C ATOM 56 CD GLU A 23 15.072 -11.341 19.370 1.00 48.15 C ANISOU 56 CD GLU A 23 6922 4604 6766 645 -1438 328 C ATOM 57 OE1 GLU A 23 14.449 -11.975 18.501 1.00 61.79 O ANISOU 57 OE1 GLU A 23 11067 5314 7095 -3760 -1566 1413 O ATOM 58 OE2 GLU A 23 16.080 -11.768 19.977 1.00 90.89 O ANISOU 58 OE2 GLU A 23 10214 7436 16882 -3078 -6479 4956 O ATOM 0 H GLU A 23 11.969 -8.184 17.416 1.00 18.42 H new ATOM 0 HA GLU A 23 12.925 -7.817 19.871 1.00 21.34 H new ATOM 0 HB2 GLU A 23 12.795 -9.911 18.881 1.00 21.77 H new ATOM 0 HB3 GLU A 23 13.940 -9.514 17.900 1.00 21.77 H new ATOM 0 HG2 GLU A 23 15.375 -9.344 19.777 1.00 42.50 H new ATOM 0 HG3 GLU A 23 14.226 -9.955 20.638 1.00 42.50 H new ATOM 59 N ALA A 24 14.971 -6.399 19.709 1.00 18.93 N ANISOU 59 N ALA A 24 3450 2462 1280 -876 757 149 N ATOM 60 CA ALA A 24 16.081 -5.515 19.491 1.00 17.80 C ANISOU 60 CA ALA A 24 3229 2792 739 -698 476 -164 C ATOM 61 C ALA A 24 17.219 -6.182 18.885 1.00 15.72 C ANISOU 61 C ALA A 24 3632 2153 185 -625 320 -295 C ATOM 62 O ALA A 24 17.677 -7.245 19.290 1.00 20.06 O ANISOU 62 O ALA A 24 4079 2795 746 -402 308 198 O ATOM 63 CB ALA A 24 16.538 -4.929 20.877 1.00 18.96 C ANISOU 63 CB ALA A 24 3133 3352 719 -624 474 -292 C ATOM 0 H ALA A 24 14.725 -6.465 20.530 1.00 18.93 H new ATOM 0 HA ALA A 24 15.783 -4.821 18.883 1.00 17.80 H new ATOM 0 HB1 ALA A 24 17.289 -4.329 20.743 1.00 18.96 H new ATOM 0 HB2 ALA A 24 15.803 -4.441 21.281 1.00 18.96 H new ATOM 0 HB3 ALA A 24 16.805 -5.654 21.463 1.00 18.96 H new ATOM 64 N HIS A 25 17.690 -5.536 17.761 1.00 15.24 N ANISOU 64 N HIS A 25 2879 2774 135 -669 132 -102 N ATOM 65 CA HIS A 25 18.908 -5.979 17.049 1.00 14.29 C ANISOU 65 CA HIS A 25 2877 2202 351 -451 150 220 C ATOM 66 C HIS A 25 18.793 -7.299 16.360 1.00 13.69 C ANISOU 66 C HIS A 25 2835 2139 227 -487 -99 450 C ATOM 67 O HIS A 25 19.819 -7.848 16.015 1.00 17.04 O ANISOU 67 O HIS A 25 2743 2699 1030 -533 -296 72 O ATOM 68 CB HIS A 25 20.185 -5.897 18.068 1.00 15.87 C ANISOU 68 CB HIS A 25 2842 2276 911 -112 -85 398 C ATOM 69 CG HIS A 25 20.175 -4.644 18.866 1.00 15.46 C ANISOU 69 CG HIS A 25 3228 2009 637 -695 100 115 C ATOM 70 ND1 HIS A 25 20.339 -3.419 18.292 1.00 14.99 N ANISOU 70 ND1 HIS A 25 2883 2205 607 -749 -278 80 N ATOM 71 CD2 HIS A 25 19.966 -4.389 20.200 1.00 17.64 C ANISOU 71 CD2 HIS A 25 3771 2548 381 -904 -73 689 C ATOM 72 CE1 HIS A 25 20.237 -2.457 19.210 1.00 14.58 C ANISOU 72 CE1 HIS A 25 2991 1918 630 -636 257 193 C ATOM 73 NE2 HIS A 25 19.976 -3.026 20.359 1.00 17.31 N ANISOU 73 NE2 HIS A 25 3314 2432 830 -636 44 654 N ATOM 0 H HIS A 25 17.310 -4.848 17.412 1.00 15.24 H new ATOM 0 HA HIS A 25 19.046 -5.365 16.310 1.00 14.29 H new ATOM 0 HB2 HIS A 25 20.172 -6.661 18.665 1.00 15.87 H new ATOM 0 HB3 HIS A 25 21.009 -5.950 17.559 1.00 15.87 H new ATOM 0 HD2 HIS A 25 19.841 -5.022 20.870 1.00 17.64 H new ATOM 0 HE1 HIS A 25 20.334 -1.544 19.060 1.00 14.58 H new ATOM 0 HE2 HIS A 25 19.833 -2.611 21.098 1.00 17.31 H new ATOM 74 N ALA A 26 17.567 -7.792 16.222 1.00 13.62 N ANISOU 74 N ALA A 26 2784 1961 428 -412 66 273 N ATOM 75 CA ALA A 26 17.372 -9.084 15.560 1.00 14.63 C ANISOU 75 CA ALA A 26 2708 1951 897 -83 222 408 C ATOM 76 C ALA A 26 17.504 -8.959 14.032 1.00 13.68 C ANISOU 76 C ALA A 26 2597 1788 809 -398 102 215 C ATOM 77 O ALA A 26 17.525 -10.004 13.329 1.00 14.12 O ANISOU 77 O ALA A 26 2752 1783 827 -121 32 145 O ATOM 78 CB ALA A 26 16.053 -9.713 15.943 1.00 18.56 C ANISOU 78 CB ALA A 26 3366 2128 1556 -732 863 474 C ATOM 0 H ALA A 26 16.848 -7.408 16.496 1.00 13.62 H new ATOM 0 HA ALA A 26 18.077 -9.674 15.870 1.00 14.63 H new ATOM 0 HB1 ALA A 26 15.956 -10.564 15.488 1.00 18.56 H new ATOM 0 HB2 ALA A 26 16.028 -9.854 16.902 1.00 18.56 H new ATOM 0 HB3 ALA A 26 15.326 -9.125 15.684 1.00 18.56 H new ATOM 79 N ARG A 27 17.539 -7.719 13.550 1.00 13.37 N ANISOU 79 N ARG A 27 2689 2011 378 -206 181 60 N ATOM 80 CA ARG A 27 17.658 -7.471 12.076 1.00 12.60 C ANISOU 80 CA ARG A 27 2317 2024 445 -203 506 89 C ATOM 81 C ARG A 27 18.898 -6.534 12.008 1.00 11.80 C ANISOU 81 C ARG A 27 2246 2055 180 -40 -60 319 C ATOM 82 O ARG A 27 18.756 -5.279 11.819 1.00 12.12 O ANISOU 82 O ARG A 27 2270 2034 299 -127 117 96 O ATOM 83 CB ARG A 27 16.375 -6.829 11.560 1.00 12.49 C ANISOU 83 CB ARG A 27 2260 1768 714 -215 296 -29 C ATOM 84 CG ARG A 27 15.231 -7.740 11.536 1.00 13.64 C ANISOU 84 CG ARG A 27 2380 2130 670 -197 305 -55 C ATOM 85 CD ARG A 27 13.942 -7.042 11.349 1.00 14.15 C ANISOU 85 CD ARG A 27 2590 2196 587 -235 89 -56 C ATOM 86 NE ARG A 27 12.761 -7.868 11.361 1.00 17.66 N ANISOU 86 NE ARG A 27 2528 2876 1306 -525 -349 257 N ATOM 87 CZ ARG A 27 12.310 -8.488 12.419 1.00 15.64 C ANISOU 87 CZ ARG A 27 2191 2584 1164 -688 -295 -91 C ATOM 88 NH1 ARG A 27 12.774 -8.209 13.627 1.00 18.97 N ANISOU 88 NH1 ARG A 27 2394 3748 1065 -580 -218 -384 N ATOM 89 NH2 ARG A 27 11.340 -9.298 12.280 1.00 18.03 N ANISOU 89 NH2 ARG A 27 2632 3238 979 -1019 323 -701 N ATOM 0 H ARG A 27 17.497 -7.009 14.033 1.00 13.37 H new ATOM 0 HA ARG A 27 17.772 -8.260 11.523 1.00 12.60 H new ATOM 0 HB2 ARG A 27 16.158 -6.065 12.117 1.00 12.49 H new ATOM 0 HB3 ARG A 27 16.529 -6.492 10.664 1.00 12.49 H new ATOM 0 HG2 ARG A 27 15.351 -8.384 10.821 1.00 13.64 H new ATOM 0 HG3 ARG A 27 15.205 -8.240 12.367 1.00 13.64 H new ATOM 0 HD2 ARG A 27 13.853 -6.374 12.047 1.00 14.15 H new ATOM 0 HD3 ARG A 27 13.973 -6.567 10.504 1.00 14.15 H new ATOM 0 HE ARG A 27 12.325 -7.959 10.625 1.00 17.66 H new ATOM 0 HH11 ARG A 27 13.383 -7.610 13.726 1.00 18.97 H new ATOM 0 HH12 ARG A 27 12.466 -8.627 14.313 1.00 18.97 H new ATOM 0 HH21 ARG A 27 10.996 -9.427 11.503 1.00 18.03 H new ATOM 0 HH22 ARG A 27 11.028 -9.716 12.963 1.00 18.03 H new ATOM 90 N PRO A 28 20.081 -7.109 12.008 1.00 12.35 N ANISOU 90 N PRO A 28 2031 2017 643 -256 -221 225 N ATOM 91 CA PRO A 28 21.283 -6.266 12.121 1.00 12.53 C ANISOU 91 CA PRO A 28 2385 1905 470 -207 -140 87 C ATOM 92 C PRO A 28 21.681 -5.516 10.843 1.00 9.94 C ANISOU 92 C PRO A 28 1777 1500 500 -115 -291 35 C ATOM 93 O PRO A 28 22.531 -4.649 10.936 1.00 11.00 O ANISOU 93 O PRO A 28 1967 1843 369 -194 -393 58 O ATOM 94 CB PRO A 28 22.371 -7.252 12.499 1.00 15.57 C ANISOU 94 CB PRO A 28 2356 2287 1272 -145 -391 599 C ATOM 95 CG PRO A 28 21.864 -8.580 12.051 1.00 16.91 C ANISOU 95 CG PRO A 28 2344 2025 2056 198 -330 607 C ATOM 96 CD PRO A 28 20.368 -8.542 12.174 1.00 15.12 C ANISOU 96 CD PRO A 28 2311 2258 1176 -103 -632 321 C ATOM 0 HA PRO A 28 21.127 -5.554 12.761 1.00 12.53 H new ATOM 0 HB2 PRO A 28 23.210 -7.032 12.065 1.00 15.57 H new ATOM 0 HB3 PRO A 28 22.536 -7.244 13.455 1.00 15.57 H new ATOM 0 HG2 PRO A 28 22.129 -8.757 11.135 1.00 16.91 H new ATOM 0 HG3 PRO A 28 22.235 -9.291 12.596 1.00 16.91 H new ATOM 0 HD2 PRO A 28 19.934 -9.080 11.493 1.00 15.12 H new ATOM 0 HD3 PRO A 28 20.066 -8.875 13.034 1.00 15.12 H new ATOM 97 N TYR A 29 20.925 -5.770 9.787 1.00 10.59 N ANISOU 97 N TYR A 29 1670 1981 370 -5 -287 260 N ATOM 98 CA TYR A 29 21.065 -5.051 8.547 1.00 9.25 C ANISOU 98 CA TYR A 29 1540 1463 510 -71 -117 220 C ATOM 99 C TYR A 29 20.282 -3.821 8.502 1.00 8.83 C ANISOU 99 C TYR A 29 1408 1397 547 42 -78 19 C ATOM 100 O TYR A 29 20.378 -2.997 7.522 1.00 10.27 O ANISOU 100 O TYR A 29 1650 1782 469 43 -20 177 O ATOM 101 CB TYR A 29 20.642 -5.965 7.377 1.00 9.72 C ANISOU 101 CB TYR A 29 1439 1586 666 139 -163 -27 C ATOM 102 CG TYR A 29 19.284 -6.600 7.607 1.00 10.64 C ANISOU 102 CG TYR A 29 1782 1842 417 -179 -239 -102 C ATOM 103 CD1 TYR A 29 18.125 -5.931 7.339 1.00 10.61 C ANISOU 103 CD1 TYR A 29 1919 1980 132 -216 71 -77 C ATOM 104 CD2 TYR A 29 19.141 -7.885 8.121 1.00 11.49 C ANISOU 104 CD2 TYR A 29 1885 1872 609 -53 -115 -103 C ATOM 105 CE1 TYR A 29 16.886 -6.485 7.539 1.00 11.47 C ANISOU 105 CE1 TYR A 29 1816 2107 434 -236 -9 -144 C ATOM 106 CE2 TYR A 29 17.885 -8.437 8.402 1.00 13.17 C ANISOU 106 CE2 TYR A 29 2590 2192 223 -592 -33 282 C ATOM 107 CZ TYR A 29 16.745 -7.734 8.081 1.00 13.13 C ANISOU 107 CZ TYR A 29 2366 2277 345 -484 -47 -183 C ATOM 108 OH TYR A 29 15.462 -8.252 8.236 1.00 16.24 O ANISOU 108 OH TYR A 29 2478 2697 996 -703 -22 -140 O ATOM 0 H TYR A 29 20.311 -6.372 9.776 1.00 10.59 H new ATOM 0 HA TYR A 29 21.998 -4.796 8.473 1.00 9.25 H new ATOM 0 HB2 TYR A 29 20.621 -5.448 6.557 1.00 9.72 H new ATOM 0 HB3 TYR A 29 21.306 -6.661 7.256 1.00 9.72 H new ATOM 0 HD1 TYR A 29 18.177 -5.064 7.007 1.00 10.61 H new ATOM 0 HD2 TYR A 29 19.903 -8.393 8.283 1.00 11.49 H new ATOM 0 HE1 TYR A 29 16.127 -6.003 7.302 1.00 11.47 H new ATOM 0 HE2 TYR A 29 17.821 -9.274 8.803 1.00 13.17 H new ATOM 0 HH TYR A 29 15.508 -9.019 8.575 1.00 16.24 H new ATOM 109 N MET A 30 19.368 -3.550 9.446 1.00 9.68 N ANISOU 109 N MET A 30 1688 1664 323 -85 -50 -5 N ATOM 110 CA MET A 30 18.445 -2.459 9.366 1.00 9.14 C ANISOU 110 CA MET A 30 1541 1776 153 -106 42 200 C ATOM 111 C MET A 30 19.095 -1.135 9.538 1.00 10.65 C ANISOU 111 C MET A 30 1610 1713 720 -78 -108 159 C ATOM 112 O MET A 30 19.851 -0.944 10.528 1.00 12.45 O ANISOU 112 O MET A 30 2002 1807 919 55 -488 -187 O ATOM 113 CB MET A 30 17.300 -2.566 10.362 1.00 12.67 C ANISOU 113 CB MET A 30 2001 2301 509 0 505 388 C ATOM 114 CG MET A 30 16.112 -1.840 10.172 1.00 18.59 C ANISOU 114 CG MET A 30 3025 3378 659 58 466 329 C ATOM 115 SD MET A 30 15.216 -2.306 8.634 1.00 23.23 S ANISOU 115 SD MET A 30 2148 6108 567 -1135 -247 913 S ATOM 116 CE MET A 30 14.665 -0.602 8.414 1.00 24.63 C ANISOU 116 CE MET A 30 3013 5877 466 -710 -166 392 C ATOM 0 H MET A 30 19.282 -4.020 10.161 1.00 9.68 H new ATOM 0 HA MET A 30 18.086 -2.523 8.467 1.00 9.14 H new ATOM 0 HB2 MET A 30 17.056 -3.503 10.416 1.00 12.67 H new ATOM 0 HB3 MET A 30 17.652 -2.314 11.230 1.00 12.67 H new ATOM 0 HG2 MET A 30 15.529 -1.980 10.934 1.00 18.59 H new ATOM 0 HG3 MET A 30 16.320 -0.893 10.144 1.00 18.59 H new ATOM 0 HE1 MET A 30 14.060 -0.552 7.657 1.00 24.63 H new ATOM 0 HE2 MET A 30 14.205 -0.304 9.215 1.00 24.63 H new ATOM 0 HE3 MET A 30 15.433 -0.032 8.252 1.00 24.63 H new ATOM 117 N ALA A 31 18.815 -0.142 8.728 1.00 9.10 N ANISOU 117 N ALA A 31 1477 1532 448 -25 6 26 N ATOM 118 CA ALA A 31 19.321 1.227 8.798 1.00 9.71 C ANISOU 118 CA ALA A 31 1272 1950 467 -236 -78 92 C ATOM 119 C ALA A 31 18.219 2.237 8.859 1.00 8.34 C ANISOU 119 C ALA A 31 1381 1436 351 -254 117 -181 C ATOM 120 O ALA A 31 17.143 2.044 8.220 1.00 9.25 O ANISOU 120 O ALA A 31 1408 1787 317 -32 45 -99 O ATOM 121 CB ALA A 31 20.160 1.541 7.555 1.00 10.31 C ANISOU 121 CB ALA A 31 1392 1863 660 -189 26 22 C ATOM 0 H ALA A 31 18.280 -0.250 8.063 1.00 9.10 H new ATOM 0 HA ALA A 31 19.851 1.283 9.608 1.00 9.71 H new ATOM 0 HB1 ALA A 31 20.492 2.451 7.610 1.00 10.31 H new ATOM 0 HB2 ALA A 31 20.909 0.927 7.506 1.00 10.31 H new ATOM 0 HB3 ALA A 31 19.611 1.445 6.761 1.00 10.31 H new ATOM 122 N SER A 32 18.467 3.329 9.587 1.00 8.73 N ANISOU 122 N SER A 32 1278 1838 201 -114 74 -353 N ATOM 123 CA SER A 32 17.654 4.512 9.511 1.00 8.97 C ANISOU 123 CA SER A 32 1245 1736 426 -87 102 -338 C ATOM 124 C SER A 32 18.419 5.581 8.760 1.00 8.66 C ANISOU 124 C SER A 32 1302 1683 302 -28 -158 -142 C ATOM 125 O SER A 32 19.515 5.959 9.175 1.00 9.81 O ANISOU 125 O SER A 32 1536 1892 296 -323 -8 -211 O ATOM 126 CB SER A 32 17.256 5.040 10.885 1.00 9.91 C ANISOU 126 CB SER A 32 1355 1835 573 -92 51 -508 C ATOM 127 OG SER A 32 16.661 6.267 10.881 1.00 9.80 O ANISOU 127 OG SER A 32 1353 1906 463 -202 176 -444 O ATOM 0 H SER A 32 19.122 3.391 10.141 1.00 8.73 H new ATOM 0 HA SER A 32 16.834 4.280 9.047 1.00 8.97 H new ATOM 0 HB2 SER A 32 16.652 4.404 11.298 1.00 9.91 H new ATOM 0 HB3 SER A 32 18.049 5.082 11.443 1.00 9.91 H new ATOM 0 HG SER A 32 15.894 6.206 10.544 1.00 9.80 H new ATOM 128 N VAL A 33 17.832 6.020 7.630 1.00 8.53 N ANISOU 128 N VAL A 33 1332 1533 375 25 -38 4 N ATOM 129 CA VAL A 33 18.394 7.069 6.832 1.00 8.69 C ANISOU 129 CA VAL A 33 1179 1629 491 -120 0 -115 C ATOM 130 C VAL A 33 17.807 8.389 7.311 1.00 8.01 C ANISOU 130 C VAL A 33 1194 1580 268 -186 277 -16 C ATOM 131 O VAL A 33 16.589 8.510 7.405 1.00 10.00 O ANISOU 131 O VAL A 33 1284 1776 738 -46 67 -306 O ATOM 132 CB VAL A 33 18.144 6.877 5.276 1.00 9.50 C ANISOU 132 CB VAL A 33 1248 1926 434 135 -16 45 C ATOM 133 CG1 VAL A 33 18.669 8.066 4.492 1.00 11.24 C ANISOU 133 CG1 VAL A 33 1827 1894 548 239 72 -80 C ATOM 134 CG2 VAL A 33 18.693 5.532 4.843 1.00 10.46 C ANISOU 134 CG2 VAL A 33 1418 1884 669 31 84 -50 C ATOM 0 H VAL A 33 17.094 5.702 7.323 1.00 8.53 H new ATOM 0 HA VAL A 33 19.357 7.054 6.944 1.00 8.69 H new ATOM 0 HB VAL A 33 17.194 6.858 5.081 1.00 9.50 H new ATOM 0 HG11 VAL A 33 18.506 7.927 3.546 1.00 11.24 H new ATOM 0 HG12 VAL A 33 18.215 8.872 4.783 1.00 11.24 H new ATOM 0 HG13 VAL A 33 19.622 8.159 4.645 1.00 11.24 H new ATOM 0 HG21 VAL A 33 18.542 5.411 3.892 1.00 10.46 H new ATOM 0 HG22 VAL A 33 19.645 5.497 5.026 1.00 10.46 H new ATOM 0 HG23 VAL A 33 18.244 4.826 5.333 1.00 10.46 H new ATOM 135 N GLN A 34 18.678 9.346 7.680 1.00 9.49 N ANISOU 135 N GLN A 34 1560 1261 785 -229 303 20 N ATOM 136 CA GLN A 34 18.269 10.542 8.405 1.00 9.87 C ANISOU 136 CA GLN A 34 1511 1578 659 -180 69 -175 C ATOM 137 C GLN A 34 18.668 11.788 7.717 1.00 10.36 C ANISOU 137 C GLN A 34 1541 1310 1085 -135 257 -355 C ATOM 138 O GLN A 34 19.716 11.825 7.014 1.00 12.50 O ANISOU 138 O GLN A 34 1805 1880 1061 -96 394 150 O ATOM 139 CB GLN A 34 18.867 10.477 9.802 1.00 11.22 C ANISOU 139 CB GLN A 34 1697 1962 602 -335 54 21 C ATOM 140 CG GLN A 34 18.473 9.166 10.479 1.00 10.51 C ANISOU 140 CG GLN A 34 1558 1935 497 -88 276 -228 C ATOM 141 CD GLN A 34 18.661 9.137 12.023 1.00 11.45 C ANISOU 141 CD GLN A 34 2209 1566 575 -458 -133 20 C ATOM 142 OE1 GLN A 34 19.392 9.996 12.556 1.00 15.34 O ANISOU 142 OE1 GLN A 34 3015 2484 329 -1094 -6 -42 O ATOM 143 NE2 GLN A 34 18.003 8.211 12.631 1.00 11.81 N ANISOU 143 NE2 GLN A 34 2291 1863 334 -418 291 8 N ATOM 0 H GLN A 34 19.521 9.310 7.512 1.00 9.49 H new ATOM 0 HA GLN A 34 17.300 10.563 8.451 1.00 9.87 H new ATOM 0 HB2 GLN A 34 19.833 10.546 9.752 1.00 11.22 H new ATOM 0 HB3 GLN A 34 18.556 11.229 10.330 1.00 11.22 H new ATOM 0 HG2 GLN A 34 17.542 8.981 10.277 1.00 10.51 H new ATOM 0 HG3 GLN A 34 18.996 8.448 10.090 1.00 10.51 H new ATOM 0 HE21 GLN A 34 17.521 7.659 12.180 1.00 11.81 H new ATOM 0 HE22 GLN A 34 18.045 8.145 13.487 1.00 11.81 H new ATOM 144 N LEU A 35 17.953 12.855 7.987 1.00 12.68 N ANISOU 144 N LEU A 35 1955 1524 1336 42 594 -217 N ATOM 145 CA LEU A 35 18.235 14.216 7.519 1.00 15.18 C ANISOU 145 CA LEU A 35 2043 1762 1961 -314 210 -223 C ATOM 146 C LEU A 35 18.281 15.070 8.744 1.00 18.53 C ANISOU 146 C LEU A 35 2714 2257 2071 -581 572 -366 C ATOM 147 O LEU A 35 17.270 15.159 9.459 1.00 22.04 O ANISOU 147 O LEU A 35 2992 2131 3249 -722 1260 -821 O ATOM 148 CB LEU A 35 17.186 14.733 6.596 1.00 19.08 C ANISOU 148 CB LEU A 35 2128 1973 3149 -34 97 -17 C ATOM 149 CG LEU A 35 17.369 16.151 6.082 1.00 23.85 C ANISOU 149 CG LEU A 35 3252 2290 3517 -250 11 705 C ATOM 150 CD1 LEU A 35 18.680 16.165 5.299 1.00 27.47 C ANISOU 150 CD1 LEU A 35 3599 3291 3545 -148 130 1907 C ATOM 151 CD2 LEU A 35 16.183 16.527 5.199 1.00 32.13 C ANISOU 151 CD2 LEU A 35 4117 3099 4990 1162 -449 1358 C ATOM 0 H LEU A 35 17.246 12.816 8.476 1.00 12.68 H new ATOM 0 HA LEU A 35 19.067 14.225 7.020 1.00 15.18 H new ATOM 0 HB2 LEU A 35 17.135 14.138 5.832 1.00 19.08 H new ATOM 0 HB3 LEU A 35 16.331 14.684 7.051 1.00 19.08 H new ATOM 0 HG LEU A 35 17.407 16.799 6.803 1.00 23.85 H new ATOM 0 HD11 LEU A 35 18.839 17.056 4.950 1.00 27.47 H new ATOM 0 HD12 LEU A 35 19.410 15.913 5.886 1.00 27.47 H new ATOM 0 HD13 LEU A 35 18.625 15.535 4.563 1.00 27.47 H new ATOM 0 HD21 LEU A 35 16.298 17.432 4.870 1.00 32.13 H new ATOM 0 HD22 LEU A 35 16.131 15.915 4.448 1.00 32.13 H new ATOM 0 HD23 LEU A 35 15.364 16.473 5.716 1.00 32.13 H new ATOM 152 N ASN A 36 19.427 15.690 9.006 1.00 21.78 N ANISOU 152 N ASN A 36 3085 2392 2798 -1006 792 -801 N ATOM 153 CA ASN A 36 19.605 16.454 10.253 1.00 24.96 C ANISOU 153 CA ASN A 36 3229 2833 3419 -1409 1014 -1149 C ATOM 154 C ASN A 36 19.123 15.723 11.533 1.00 24.79 C ANISOU 154 C ASN A 36 3244 3114 3059 -1348 1645 -1363 C ATOM 155 O ASN A 36 18.558 16.312 12.465 1.00 28.25 O ANISOU 155 O ASN A 36 3370 4360 3002 -1436 1443 -2032 O ATOM 156 CB ASN A 36 18.851 17.783 10.115 1.00 31.15 C ANISOU 156 CB ASN A 36 4058 3199 4578 -887 814 -937 C ATOM 157 CG ASN A 36 19.339 18.643 8.942 1.00 28.20 C ANISOU 157 CG ASN A 36 3712 3306 3693 -807 776 -839 C ATOM 158 OD1 ASN A 36 20.499 18.575 8.522 1.00 29.68 O ANISOU 158 OD1 ASN A 36 3458 4174 3644 -1144 846 -824 O ATOM 159 ND2 ASN A 36 18.395 19.369 8.344 1.00 35.02 N ANISOU 159 ND2 ASN A 36 4094 3386 5823 372 1266 -488 N ATOM 0 H ASN A 36 20.111 15.685 8.485 1.00 21.78 H new ATOM 0 HA ASN A 36 20.560 16.582 10.368 1.00 24.96 H new ATOM 0 HB2 ASN A 36 17.905 17.600 10.001 1.00 31.15 H new ATOM 0 HB3 ASN A 36 18.945 18.287 10.938 1.00 31.15 H new ATOM 0 HD21 ASN A 36 18.582 19.816 7.634 1.00 35.02 H new ATOM 0 HD22 ASN A 36 17.599 19.390 8.668 1.00 35.02 H new ATOM 160 N GLY A 38 19.422 14.455 11.649 1.00 21.97 N ANISOU 160 N GLY A 38 2510 3076 2760 -792 449 -1483 N ATOM 161 CA GLY A 38 19.042 13.667 12.815 1.00 20.91 C ANISOU 161 CA GLY A 38 2561 3582 1799 -614 -285 -1013 C ATOM 162 C GLY A 38 17.577 13.243 12.955 1.00 18.07 C ANISOU 162 C GLY A 38 2749 2521 1594 -824 306 -1061 C ATOM 163 O GLY A 38 17.209 12.656 13.941 1.00 20.79 O ANISOU 163 O GLY A 38 3114 3740 1045 -237 65 -651 O ATOM 0 H GLY A 38 19.856 14.012 11.053 1.00 21.97 H new ATOM 0 HA2 GLY A 38 19.585 12.863 12.819 1.00 20.91 H new ATOM 0 HA3 GLY A 38 19.281 14.175 13.606 1.00 20.91 H new ATOM 164 N ALA A 39 16.764 13.446 11.891 1.00 16.89 N ANISOU 164 N ALA A 39 2604 2726 1085 -778 712 -1090 N ATOM 165 CA ALA A 39 15.413 12.990 11.862 1.00 15.12 C ANISOU 165 CA ALA A 39 2382 2074 1287 -621 586 -833 C ATOM 166 C ALA A 39 15.305 11.821 10.889 1.00 14.29 C ANISOU 166 C ALA A 39 2297 1930 1202 -367 655 -804 C ATOM 167 O ALA A 39 15.710 11.918 9.721 1.00 15.09 O ANISOU 167 O ALA A 39 2174 2528 1031 -335 462 -696 O ATOM 168 CB ALA A 39 14.506 14.081 11.499 1.00 19.46 C ANISOU 168 CB ALA A 39 2895 2333 2165 -249 851 -567 C ATOM 0 H ALA A 39 17.010 13.857 11.177 1.00 16.89 H new ATOM 0 HA ALA A 39 15.151 12.686 12.745 1.00 15.12 H new ATOM 0 HB1 ALA A 39 13.594 13.752 11.485 1.00 19.46 H new ATOM 0 HB2 ALA A 39 14.582 14.795 12.151 1.00 19.46 H new ATOM 0 HB3 ALA A 39 14.741 14.419 10.621 1.00 19.46 H new ATOM 169 N HIS A 40 14.677 10.725 11.247 1.00 12.24 N ANISOU 169 N HIS A 40 1870 1747 1033 -424 475 -701 N ATOM 170 CA HIS A 40 14.405 9.646 10.378 1.00 10.59 C ANISOU 170 CA HIS A 40 1300 1612 1112 -136 78 -485 C ATOM 171 C HIS A 40 13.583 10.093 9.204 1.00 11.50 C ANISOU 171 C HIS A 40 1736 1679 954 177 326 -157 C ATOM 172 O HIS A 40 12.523 10.677 9.309 1.00 11.98 O ANISOU 172 O HIS A 40 1547 2140 862 -69 233 -356 O ATOM 173 CB HIS A 40 13.664 8.534 11.182 1.00 12.05 C ANISOU 173 CB HIS A 40 1680 2070 827 -336 422 -613 C ATOM 174 CG HIS A 40 13.238 7.418 10.291 1.00 11.16 C ANISOU 174 CG HIS A 40 1636 1802 803 -237 148 -324 C ATOM 175 ND1 HIS A 40 14.061 6.339 10.066 1.00 9.82 N ANISOU 175 ND1 HIS A 40 1481 1900 348 -224 -41 61 N ATOM 176 CD2 HIS A 40 12.086 7.211 9.562 1.00 12.03 C ANISOU 176 CD2 HIS A 40 1606 1828 1136 -273 131 -416 C ATOM 177 CE1 HIS A 40 13.428 5.541 9.234 1.00 10.25 C ANISOU 177 CE1 HIS A 40 1461 1914 520 -254 383 -459 C ATOM 178 NE2 HIS A 40 12.230 6.039 8.896 1.00 11.93 N ANISOU 178 NE2 HIS A 40 1513 1940 1080 -120 344 -423 N ATOM 0 H HIS A 40 14.388 10.596 12.047 1.00 12.24 H new ATOM 0 HA HIS A 40 15.239 9.296 10.027 1.00 10.59 H new ATOM 0 HB2 HIS A 40 14.247 8.191 11.878 1.00 12.05 H new ATOM 0 HB3 HIS A 40 12.888 8.913 11.623 1.00 12.05 H new ATOM 0 HD2 HIS A 40 11.345 7.773 9.533 1.00 12.03 H new ATOM 0 HE1 HIS A 40 13.768 4.734 8.920 1.00 10.25 H new ATOM 0 HE2 HIS A 40 11.661 5.683 8.359 1.00 11.93 H new ATOM 179 N LEU A 41 14.096 9.706 8.008 1.00 11.12 N ANISOU 179 N LEU A 41 1528 1912 785 68 96 -324 N ATOM 180 CA LEU A 41 13.363 9.851 6.708 1.00 13.28 C ANISOU 180 CA LEU A 41 2068 1902 1075 82 -164 -409 C ATOM 181 C LEU A 41 12.918 8.530 6.137 1.00 11.38 C ANISOU 181 C LEU A 41 1816 1845 662 -16 202 -371 C ATOM 182 O LEU A 41 11.783 8.427 5.573 1.00 12.37 O ANISOU 182 O LEU A 41 1605 2040 1052 -228 344 -563 O ATOM 183 CB LEU A 41 14.441 10.299 5.568 1.00 20.87 C ANISOU 183 CB LEU A 41 3035 3044 1847 -173 724 -314 C ATOM 184 CG LEU A 41 15.172 11.574 5.757 1.00 21.14 C ANISOU 184 CG LEU A 41 2541 3066 2424 104 811 193 C ATOM 185 CD1 LEU A 41 16.292 11.699 4.711 1.00 22.01 C ANISOU 185 CD1 LEU A 41 3182 3354 1826 -505 816 -81 C ATOM 186 CD2 LEU A 41 14.155 12.640 5.473 1.00 28.81 C ANISOU 186 CD2 LEU A 41 2292 4137 4516 618 86 401 C ATOM 0 H LEU A 41 14.876 9.353 7.925 1.00 11.12 H new ATOM 0 HA LEU A 41 12.626 10.454 6.890 1.00 13.28 H new ATOM 0 HB2 LEU A 41 15.098 9.590 5.487 1.00 20.87 H new ATOM 0 HB3 LEU A 41 13.972 10.349 4.720 1.00 20.87 H new ATOM 0 HG LEU A 41 15.565 11.635 6.642 1.00 21.14 H new ATOM 0 HD11 LEU A 41 16.765 12.536 4.842 1.00 22.01 H new ATOM 0 HD12 LEU A 41 16.911 10.959 4.810 1.00 22.01 H new ATOM 0 HD13 LEU A 41 15.907 11.681 3.821 1.00 22.01 H new ATOM 0 HD21 LEU A 41 14.564 13.513 5.577 1.00 28.81 H new ATOM 0 HD22 LEU A 41 13.829 12.543 4.565 1.00 28.81 H new ATOM 0 HD23 LEU A 41 13.414 12.554 6.093 1.00 28.81 H new ATOM 187 N CYS A 42 13.774 7.545 6.081 1.00 10.07 N ANISOU 187 N CYS A 42 1672 1715 435 -75 -68 -245 N ATOM 188 CA CYS A 42 13.545 6.311 5.335 1.00 9.49 C ANISOU 188 CA CYS A 42 1176 1794 633 -89 50 -408 C ATOM 189 C CYS A 42 14.252 5.167 5.967 1.00 9.50 C ANISOU 189 C CYS A 42 1091 1708 808 -84 399 -234 C ATOM 190 O CYS A 42 15.285 5.373 6.690 1.00 9.07 O ANISOU 190 O CYS A 42 1245 1803 398 -255 164 -38 O ATOM 191 CB CYS A 42 14.170 6.449 3.920 1.00 10.30 C ANISOU 191 CB CYS A 42 1594 1918 399 -29 -113 -170 C ATOM 192 SG CYS A 42 13.158 7.498 2.824 1.00 12.79 S ANISOU 192 SG CYS A 42 2149 2192 518 310 -17 -38 S ATOM 0 H CYS A 42 14.533 7.564 6.485 1.00 10.07 H new ATOM 0 HA CYS A 42 12.587 6.159 5.312 1.00 9.49 H new ATOM 0 HB2 CYS A 42 15.060 6.827 3.996 1.00 10.30 H new ATOM 0 HB3 CYS A 42 14.268 5.569 3.524 1.00 10.30 H new ATOM 193 N GLY A 43 13.778 3.983 5.756 1.00 8.73 N ANISOU 193 N GLY A 43 1222 1833 260 -142 149 -354 N ATOM 194 CA GLY A 43 14.536 2.816 5.996 1.00 9.81 C ANISOU 194 CA GLY A 43 1340 1781 604 -114 295 -504 C ATOM 195 C GLY A 43 15.721 2.665 5.071 1.00 7.63 C ANISOU 195 C GLY A 43 1101 1392 404 178 37 -166 C ATOM 196 O GLY A 43 15.753 3.371 4.004 1.00 9.08 O ANISOU 196 O GLY A 43 1250 1778 419 148 -176 71 O ATOM 0 H GLY A 43 12.984 3.833 5.461 1.00 8.73 H new ATOM 0 HA2 GLY A 43 14.851 2.826 6.914 1.00 9.81 H new ATOM 0 HA3 GLY A 43 13.961 2.041 5.902 1.00 9.81 H new ATOM 197 N GLY A 44 16.555 1.740 5.338 1.00 8.26 N ANISOU 197 N GLY A 44 1322 1601 213 405 243 -141 N ATOM 198 CA GLY A 44 17.631 1.353 4.455 1.00 8.60 C ANISOU 198 CA GLY A 44 1041 1648 578 246 216 -341 C ATOM 199 C GLY A 44 18.168 -0.015 4.838 1.00 8.71 C ANISOU 199 C GLY A 44 1432 1470 406 252 -12 -293 C ATOM 200 O GLY A 44 17.752 -0.543 5.948 1.00 9.21 O ANISOU 200 O GLY A 44 1407 1865 227 123 -38 -192 O ATOM 0 H GLY A 44 16.530 1.284 6.067 1.00 8.26 H new ATOM 0 HA2 GLY A 44 17.314 1.337 3.538 1.00 8.60 H new ATOM 0 HA3 GLY A 44 18.344 2.010 4.498 1.00 8.60 H new ATOM 201 N VAL A 45 19.034 -0.625 4.092 1.00 7.92 N ANISOU 201 N VAL A 45 1076 1541 390 193 2 -116 N ATOM 202 CA VAL A 45 19.572 -1.947 4.376 1.00 9.54 C ANISOU 202 CA VAL A 45 1125 1761 737 132 50 33 C ATOM 203 C VAL A 45 21.026 -1.979 4.141 1.00 7.81 C ANISOU 203 C VAL A 45 1105 1519 344 236 -93 -1 C ATOM 204 O VAL A 45 21.510 -1.586 2.999 1.00 9.47 O ANISOU 204 O VAL A 45 1259 1976 360 112 93 111 O ATOM 205 CB VAL A 45 18.803 -3.037 3.602 1.00 11.58 C ANISOU 205 CB VAL A 45 1461 2113 824 3 118 36 C ATOM 206 CG1 VAL A 45 18.644 -2.726 2.193 1.00 15.58 C ANISOU 206 CG1 VAL A 45 2566 2691 660 -171 337 -232 C ATOM 207 CG2 VAL A 45 19.313 -4.385 3.854 1.00 11.53 C ANISOU 207 CG2 VAL A 45 1465 2134 779 -94 145 -94 C ATOM 0 H VAL A 45 19.349 -0.279 3.370 1.00 7.92 H new ATOM 0 HA VAL A 45 19.442 -2.145 5.317 1.00 9.54 H new ATOM 0 HB VAL A 45 17.903 -3.037 3.964 1.00 11.58 H new ATOM 0 HG11 VAL A 45 18.156 -3.442 1.757 1.00 15.58 H new ATOM 0 HG12 VAL A 45 18.152 -1.895 2.098 1.00 15.58 H new ATOM 0 HG13 VAL A 45 19.517 -2.633 1.781 1.00 15.58 H new ATOM 0 HG21 VAL A 45 18.795 -5.028 3.344 1.00 11.53 H new ATOM 0 HG22 VAL A 45 20.244 -4.435 3.585 1.00 11.53 H new ATOM 0 HG23 VAL A 45 19.239 -4.588 4.800 1.00 11.53 H new ATOM 208 N LEU A 46 21.800 -2.416 5.095 1.00 8.55 N ANISOU 208 N LEU A 46 1115 1751 383 164 -101 259 N ATOM 209 CA LEU A 46 23.218 -2.568 4.931 1.00 8.48 C ANISOU 209 CA LEU A 46 1156 1770 296 151 -146 124 C ATOM 210 C LEU A 46 23.471 -3.755 4.029 1.00 9.38 C ANISOU 210 C LEU A 46 1256 1697 611 10 49 15 C ATOM 211 O LEU A 46 23.079 -4.860 4.279 1.00 10.10 O ANISOU 211 O LEU A 46 1667 1543 626 4 45 32 O ATOM 212 CB LEU A 46 23.922 -2.751 6.255 1.00 9.18 C ANISOU 212 CB LEU A 46 1339 1745 402 4 -303 247 C ATOM 213 CG LEU A 46 25.432 -2.758 6.273 1.00 10.22 C ANISOU 213 CG LEU A 46 1451 1937 495 73 -372 -62 C ATOM 214 CD1 LEU A 46 26.008 -1.428 5.937 1.00 11.63 C ANISOU 214 CD1 LEU A 46 1592 2068 757 -123 -269 -143 C ATOM 215 CD2 LEU A 46 25.924 -3.211 7.651 1.00 11.54 C ANISOU 215 CD2 LEU A 46 1689 1898 797 29 -525 123 C ATOM 0 H LEU A 46 21.513 -2.638 5.874 1.00 8.55 H new ATOM 0 HA LEU A 46 23.576 -1.759 4.533 1.00 8.48 H new ATOM 0 HB2 LEU A 46 23.623 -2.044 6.848 1.00 9.18 H new ATOM 0 HB3 LEU A 46 23.618 -3.589 6.637 1.00 9.18 H new ATOM 0 HG LEU A 46 25.732 -3.379 5.591 1.00 10.22 H new ATOM 0 HD11 LEU A 46 26.976 -1.479 5.961 1.00 11.63 H new ATOM 0 HD12 LEU A 46 25.720 -1.165 5.049 1.00 11.63 H new ATOM 0 HD13 LEU A 46 25.704 -0.771 6.582 1.00 11.63 H new ATOM 0 HD21 LEU A 46 26.894 -3.216 7.663 1.00 11.54 H new ATOM 0 HD22 LEU A 46 25.596 -2.600 8.329 1.00 11.54 H new ATOM 0 HD23 LEU A 46 25.595 -4.105 7.835 1.00 11.54 H new ATOM 216 N VAL A 47 24.104 -3.486 2.852 1.00 8.88 N ANISOU 216 N VAL A 47 1375 1585 411 10 -47 -75 N ATOM 217 CA VAL A 47 24.324 -4.562 1.812 1.00 9.12 C ANISOU 217 CA VAL A 47 1211 1736 518 -86 -107 -63 C ATOM 218 C VAL A 47 25.791 -4.844 1.600 1.00 10.22 C ANISOU 218 C VAL A 47 1377 1946 558 28 -78 87 C ATOM 219 O VAL A 47 26.092 -5.867 0.904 1.00 13.43 O ANISOU 219 O VAL A 47 1572 2079 1451 58 172 -292 O ATOM 220 CB VAL A 47 23.633 -4.226 0.475 1.00 10.62 C ANISOU 220 CB VAL A 47 1483 1947 603 275 -107 -104 C ATOM 221 CG1 VAL A 47 22.119 -4.305 0.630 1.00 11.66 C ANISOU 221 CG1 VAL A 47 1548 1977 905 32 -166 -109 C ATOM 222 CG2 VAL A 47 24.129 -2.914 -0.091 1.00 11.19 C ANISOU 222 CG2 VAL A 47 1462 2219 568 174 -23 -188 C ATOM 0 H VAL A 47 24.408 -2.712 2.634 1.00 8.88 H new ATOM 0 HA VAL A 47 23.912 -5.369 2.160 1.00 9.12 H new ATOM 0 HB VAL A 47 23.875 -4.892 -0.187 1.00 10.62 H new ATOM 0 HG11 VAL A 47 21.695 -4.092 -0.216 1.00 11.66 H new ATOM 0 HG12 VAL A 47 21.868 -5.202 0.900 1.00 11.66 H new ATOM 0 HG13 VAL A 47 21.829 -3.671 1.305 1.00 11.66 H new ATOM 0 HG21 VAL A 47 23.677 -2.731 -0.929 1.00 11.19 H new ATOM 0 HG22 VAL A 47 23.944 -2.199 0.538 1.00 11.19 H new ATOM 0 HG23 VAL A 47 25.085 -2.969 -0.245 1.00 11.19 H new ATOM 223 N ALA A 48 26.698 -4.035 2.134 1.00 11.74 N ANISOU 223 N ALA A 48 1268 2216 974 46 -141 -163 N ATOM 224 CA ALA A 48 28.116 -4.270 2.066 1.00 11.06 C ANISOU 224 CA ALA A 48 1387 1735 1077 137 22 -154 C ATOM 225 C ALA A 48 28.706 -3.527 3.252 1.00 13.55 C ANISOU 225 C ALA A 48 1529 2057 1562 318 -493 -186 C ATOM 226 O ALA A 48 27.990 -2.749 3.931 1.00 14.47 O ANISOU 226 O ALA A 48 1841 2425 1229 46 -216 -170 O ATOM 227 CB ALA A 48 28.719 -3.778 0.735 1.00 13.52 C ANISOU 227 CB ALA A 48 1341 2450 1343 -67 254 -27 C ATOM 0 H ALA A 48 26.491 -3.315 2.557 1.00 11.74 H new ATOM 0 HA ALA A 48 28.317 -5.218 2.100 1.00 11.06 H new ATOM 0 HB1 ALA A 48 29.673 -3.953 0.727 1.00 13.52 H new ATOM 0 HB2 ALA A 48 28.299 -4.246 -0.003 1.00 13.52 H new ATOM 0 HB3 ALA A 48 28.565 -2.825 0.643 1.00 13.52 H new ATOM 228 N GLU A 49 29.967 -3.685 3.486 1.00 14.32 N ANISOU 228 N GLU A 49 1654 1952 1833 255 -626 -211 N ATOM 229 CA GLU A 49 30.494 -3.082 4.676 1.00 16.18 C ANISOU 229 CA GLU A 49 2250 2184 1712 -339 -945 151 C ATOM 230 C GLU A 49 30.409 -1.607 4.720 1.00 15.63 C ANISOU 230 C GLU A 49 2171 2143 1624 -596 -757 -233 C ATOM 231 O GLU A 49 30.258 -0.967 5.818 1.00 17.28 O ANISOU 231 O GLU A 49 2818 2504 1243 -919 -745 -103 O ATOM 232 CB GLU A 49 31.959 -3.482 4.827 1.00 22.49 C ANISOU 232 CB GLU A 49 2690 2752 3101 -320 -1057 22 C ATOM 233 CG GLU A 49 32.235 -4.913 5.018 1.00 27.36 C ANISOU 233 CG GLU A 49 3580 3319 3496 -141 -1611 436 C ATOM 234 CD GLU A 49 33.714 -5.021 5.418 1.00 35.89 C ANISOU 234 CD GLU A 49 3469 5532 4632 2007 -1111 -428 C ATOM 235 OE1 GLU A 49 34.013 -4.693 6.609 1.00 34.16 O ANISOU 235 OE1 GLU A 49 3903 3870 5206 911 -335 -1596 O ATOM 236 OE2 GLU A 49 34.597 -5.281 4.553 1.00 50.93 O ANISOU 236 OE2 GLU A 49 4628 9519 5200 2296 -1164 -3228 O ATOM 0 H GLU A 49 30.525 -4.119 2.996 1.00 14.32 H new ATOM 0 HA GLU A 49 29.940 -3.409 5.402 1.00 16.18 H new ATOM 0 HB2 GLU A 49 32.437 -3.184 4.038 1.00 22.49 H new ATOM 0 HB3 GLU A 49 32.329 -2.999 5.582 1.00 22.49 H new ATOM 0 HG2 GLU A 49 31.663 -5.286 5.707 1.00 27.36 H new ATOM 0 HG3 GLU A 49 32.060 -5.410 4.204 1.00 27.36 H new ATOM 237 N GLN A 50 30.439 -0.933 3.564 1.00 13.64 N ANISOU 237 N GLN A 50 1460 2135 1586 32 -294 41 N ATOM 238 CA GLN A 50 30.441 0.453 3.487 1.00 11.80 C ANISOU 238 CA GLN A 50 1410 2101 971 -137 -362 -112 C ATOM 239 C GLN A 50 29.189 1.086 2.752 1.00 9.57 C ANISOU 239 C GLN A 50 1331 1822 480 -85 -87 -239 C ATOM 240 O GLN A 50 29.215 2.274 2.489 1.00 11.01 O ANISOU 240 O GLN A 50 1426 1847 907 -123 -57 -116 O ATOM 241 CB GLN A 50 31.723 1.017 2.905 1.00 14.08 C ANISOU 241 CB GLN A 50 1308 2308 1732 -88 -93 -75 C ATOM 242 CG GLN A 50 32.071 2.461 3.313 1.00 14.77 C ANISOU 242 CG GLN A 50 1595 2612 1405 -202 32 -10 C ATOM 243 CD GLN A 50 33.469 2.874 2.923 1.00 18.37 C ANISOU 243 CD GLN A 50 1759 2944 2274 -258 595 -669 C ATOM 244 OE1 GLN A 50 34.270 2.012 2.445 1.00 27.15 O ANISOU 244 OE1 GLN A 50 2063 3287 4964 -483 1665 -695 O ATOM 245 NE2 GLN A 50 33.763 4.166 2.992 1.00 16.27 N ANISOU 245 NE2 GLN A 50 1843 2801 1534 -519 289 -325 N ATOM 0 H GLN A 50 30.459 -1.320 2.796 1.00 13.64 H new ATOM 0 HA GLN A 50 30.378 0.720 4.418 1.00 11.80 H new ATOM 0 HB2 GLN A 50 32.457 0.440 3.166 1.00 14.08 H new ATOM 0 HB3 GLN A 50 31.663 0.979 1.938 1.00 14.08 H new ATOM 0 HG2 GLN A 50 31.435 3.068 2.903 1.00 14.77 H new ATOM 0 HG3 GLN A 50 31.970 2.552 4.273 1.00 14.77 H new ATOM 0 HE21 GLN A 50 33.194 4.719 3.323 1.00 16.27 H new ATOM 0 HE22 GLN A 50 34.523 4.450 2.706 1.00 16.27 H new ATOM 246 N TRP A 51 28.181 0.277 2.459 1.00 9.45 N ANISOU 246 N TRP A 51 1001 1757 832 34 -176 -39 N ATOM 247 CA TRP A 51 27.121 0.714 1.646 1.00 10.00 C ANISOU 247 CA TRP A 51 1105 2079 614 -3 -228 -147 C ATOM 248 C TRP A 51 25.746 0.313 2.177 1.00 8.38 C ANISOU 248 C TRP A 51 1121 1689 375 -91 -342 -143 C ATOM 249 O TRP A 51 25.530 -0.827 2.505 1.00 9.81 O ANISOU 249 O TRP A 51 1435 1690 600 36 103 -91 O ATOM 250 CB TRP A 51 27.261 0.133 0.198 1.00 9.94 C ANISOU 250 CB TRP A 51 1005 1910 860 181 71 -283 C ATOM 251 CG TRP A 51 28.442 0.703 -0.501 1.00 11.13 C ANISOU 251 CG TRP A 51 1128 2472 629 -150 -140 -478 C ATOM 252 CD1 TRP A 51 29.684 0.151 -0.538 1.00 13.04 C ANISOU 252 CD1 TRP A 51 1347 2854 752 124 -45 -145 C ATOM 253 CD2 TRP A 51 28.432 1.837 -1.371 1.00 12.54 C ANISOU 253 CD2 TRP A 51 1450 2804 509 -85 241 -374 C ATOM 254 NE1 TRP A 51 30.468 0.950 -1.388 1.00 14.37 N ANISOU 254 NE1 TRP A 51 1352 3139 969 -8 353 -458 N ATOM 255 CE2 TRP A 51 29.694 1.927 -1.940 1.00 13.25 C ANISOU 255 CE2 TRP A 51 1468 2909 657 -256 154 -228 C ATOM 256 CE3 TRP A 51 27.436 2.746 -1.785 1.00 11.69 C ANISOU 256 CE3 TRP A 51 1228 2794 418 -283 -63 -30 C ATOM 257 CZ2 TRP A 51 29.999 2.941 -2.872 1.00 14.07 C ANISOU 257 CZ2 TRP A 51 1746 3003 594 -291 396 -222 C ATOM 258 CZ3 TRP A 51 27.761 3.753 -2.710 1.00 12.84 C ANISOU 258 CZ3 TRP A 51 1443 2798 636 19 -146 230 C ATOM 259 CH2 TRP A 51 29.028 3.787 -3.239 1.00 13.49 C ANISOU 259 CH2 TRP A 51 1646 3349 129 -229 0 -89 C ATOM 0 H TRP A 51 28.113 -0.534 2.736 1.00 9.45 H new ATOM 0 HA TRP A 51 27.179 1.682 1.644 1.00 10.00 H new ATOM 0 HB2 TRP A 51 27.343 -0.833 0.241 1.00 9.94 H new ATOM 0 HB3 TRP A 51 26.457 0.327 -0.310 1.00 9.94 H new ATOM 0 HD1 TRP A 51 29.963 -0.612 -0.086 1.00 13.04 H new ATOM 0 HE1 TRP A 51 31.308 0.839 -1.537 1.00 14.37 H new ATOM 0 HE3 TRP A 51 26.571 2.680 -1.449 1.00 11.69 H new ATOM 0 HZ2 TRP A 51 30.856 3.020 -3.224 1.00 14.07 H new ATOM 0 HZ3 TRP A 51 27.128 4.387 -2.960 1.00 12.84 H new ATOM 0 HH2 TRP A 51 29.221 4.429 -3.884 1.00 13.49 H new ATOM 260 N VAL A 52 24.846 1.309 2.154 1.00 8.59 N ANISOU 260 N VAL A 52 1226 1810 226 11 -54 33 N ATOM 261 CA VAL A 52 23.480 1.116 2.545 1.00 9.35 C ANISOU 261 CA VAL A 52 1226 1766 558 129 -49 109 C ATOM 262 C VAL A 52 22.573 1.360 1.314 1.00 8.00 C ANISOU 262 C VAL A 52 925 1566 546 80 26 -165 C ATOM 263 O VAL A 52 22.715 2.428 0.667 1.00 8.72 O ANISOU 263 O VAL A 52 1426 1730 155 -327 -140 20 O ATOM 264 CB VAL A 52 23.065 2.030 3.700 1.00 8.78 C ANISOU 264 CB VAL A 52 1294 1601 438 205 -67 53 C ATOM 265 CG1 VAL A 52 21.626 2.087 3.898 1.00 9.80 C ANISOU 265 CG1 VAL A 52 1436 1804 482 34 177 -276 C ATOM 266 CG2 VAL A 52 23.870 1.581 4.949 1.00 9.98 C ANISOU 266 CG2 VAL A 52 1498 1892 399 279 -34 -60 C ATOM 0 H VAL A 52 25.031 2.112 1.907 1.00 8.59 H new ATOM 0 HA VAL A 52 23.382 0.206 2.865 1.00 9.35 H new ATOM 0 HB VAL A 52 23.283 2.953 3.497 1.00 8.78 H new ATOM 0 HG11 VAL A 52 21.424 2.679 4.640 1.00 9.80 H new ATOM 0 HG12 VAL A 52 21.201 2.422 3.093 1.00 9.80 H new ATOM 0 HG13 VAL A 52 21.291 1.198 4.094 1.00 9.80 H new ATOM 0 HG21 VAL A 52 23.633 2.140 5.705 1.00 9.98 H new ATOM 0 HG22 VAL A 52 23.662 0.656 5.153 1.00 9.98 H new ATOM 0 HG23 VAL A 52 24.820 1.666 4.770 1.00 9.98 H new ATOM 267 N LEU A 53 21.661 0.471 1.076 1.00 7.81 N ANISOU 267 N LEU A 53 1087 1683 198 -69 -49 -55 N ATOM 268 CA LEU A 53 20.665 0.565 -0.047 1.00 8.04 C ANISOU 268 CA LEU A 53 870 1751 431 -143 -32 135 C ATOM 269 C LEU A 53 19.378 1.150 0.496 1.00 8.28 C ANISOU 269 C LEU A 53 888 1773 484 -20 23 147 C ATOM 270 O LEU A 53 18.895 0.711 1.581 1.00 8.69 O ANISOU 270 O LEU A 53 1088 1943 269 143 0 176 O ATOM 271 CB LEU A 53 20.464 -0.759 -0.606 1.00 8.49 C ANISOU 271 CB LEU A 53 1225 1562 439 -109 -136 152 C ATOM 272 CG LEU A 53 19.530 -0.885 -1.837 1.00 8.96 C ANISOU 272 CG LEU A 53 1112 1908 381 -33 -12 66 C ATOM 273 CD1 LEU A 53 20.060 -0.115 -3.047 1.00 9.72 C ANISOU 273 CD1 LEU A 53 1426 2009 256 -67 -51 37 C ATOM 274 CD2 LEU A 53 19.304 -2.277 -2.208 1.00 10.76 C ANISOU 274 CD2 LEU A 53 1453 1891 744 -177 -206 -55 C ATOM 0 H LEU A 53 21.568 -0.238 1.553 1.00 7.81 H new ATOM 0 HA LEU A 53 20.986 1.144 -0.756 1.00 8.04 H new ATOM 0 HB2 LEU A 53 21.332 -1.114 -0.852 1.00 8.49 H new ATOM 0 HB3 LEU A 53 20.112 -1.329 0.095 1.00 8.49 H new ATOM 0 HG LEU A 53 18.685 -0.491 -1.569 1.00 8.96 H new ATOM 0 HD11 LEU A 53 19.447 -0.221 -3.792 1.00 9.72 H new ATOM 0 HD12 LEU A 53 20.138 0.826 -2.824 1.00 9.72 H new ATOM 0 HD13 LEU A 53 20.932 -0.461 -3.294 1.00 9.72 H new ATOM 0 HD21 LEU A 53 18.717 -2.315 -2.979 1.00 10.76 H new ATOM 0 HD22 LEU A 53 20.151 -2.696 -2.426 1.00 10.76 H new ATOM 0 HD23 LEU A 53 18.893 -2.747 -1.466 1.00 10.76 H new ATOM 275 N SER A 54 18.775 2.091 -0.171 1.00 8.21 N ANISOU 275 N SER A 54 987 1677 455 24 84 17 N ATOM 276 CA SER A 54 17.491 2.720 0.190 1.00 7.94 C ANISOU 276 CA SER A 54 1119 1511 385 182 -74 115 C ATOM 277 C SER A 54 16.763 3.131 -1.078 1.00 7.39 C ANISOU 277 C SER A 54 945 1462 398 69 -37 103 C ATOM 278 O SER A 54 17.036 2.529 -2.152 1.00 9.33 O ANISOU 278 O SER A 54 1353 1699 494 78 215 -4 O ATOM 279 CB SER A 54 17.811 3.884 1.147 1.00 9.38 C ANISOU 279 CB SER A 54 1357 1652 555 123 261 164 C ATOM 280 OG SER A 54 16.678 4.508 1.680 1.00 9.48 O ANISOU 280 OG SER A 54 1295 1771 535 81 119 -79 O ATOM 0 H SER A 54 19.106 2.416 -0.895 1.00 8.21 H new ATOM 0 HA SER A 54 16.888 2.116 0.651 1.00 7.94 H new ATOM 0 HB2 SER A 54 18.359 3.551 1.875 1.00 9.38 H new ATOM 0 HB3 SER A 54 18.340 4.544 0.673 1.00 9.38 H new ATOM 0 HG SER A 54 16.446 4.114 2.385 1.00 9.48 H new ATOM 281 N ALA A 55 15.841 4.059 -1.023 1.00 8.61 N ANISOU 281 N ALA A 55 1071 1667 533 218 103 216 N ATOM 282 CA ALA A 55 15.019 4.456 -2.201 1.00 8.66 C ANISOU 282 CA ALA A 55 1058 1627 602 240 -128 -56 C ATOM 283 C ALA A 55 15.390 5.814 -2.623 1.00 10.58 C ANISOU 283 C ALA A 55 1329 1980 708 169 -283 -58 C ATOM 284 O ALA A 55 15.756 6.721 -1.848 1.00 10.46 O ANISOU 284 O ALA A 55 1676 1822 473 -172 1 11 O ATOM 285 CB ALA A 55 13.568 4.359 -1.827 1.00 10.73 C ANISOU 285 CB ALA A 55 1300 2007 768 121 -187 272 C ATOM 0 H ALA A 55 15.653 4.495 -0.306 1.00 8.61 H new ATOM 0 HA ALA A 55 15.181 3.864 -2.952 1.00 8.66 H new ATOM 0 HB1 ALA A 55 13.020 4.615 -2.586 1.00 10.73 H new ATOM 0 HB2 ALA A 55 13.360 3.447 -1.572 1.00 10.73 H new ATOM 0 HB3 ALA A 55 13.385 4.953 -1.082 1.00 10.73 H new ATOM 286 N ALA A 56 15.320 6.050 -3.964 1.00 11.98 N ANISOU 286 N ALA A 56 2004 1832 714 305 16 242 N ATOM 287 CA ALA A 56 15.781 7.302 -4.550 1.00 12.30 C ANISOU 287 CA ALA A 56 2131 2004 538 342 232 375 C ATOM 288 C ALA A 56 15.111 8.544 -4.158 1.00 12.28 C ANISOU 288 C ALA A 56 1831 1717 1117 77 336 399 C ATOM 289 O ALA A 56 15.762 9.567 -4.052 1.00 21.66 O ANISOU 289 O ALA A 56 2454 2175 3599 -239 739 842 O ATOM 290 CB ALA A 56 15.738 7.160 -6.069 1.00 13.81 C ANISOU 290 CB ALA A 56 2417 2239 589 316 326 256 C ATOM 0 H ALA A 56 15.006 5.487 -4.533 1.00 11.98 H new ATOM 0 HA ALA A 56 16.673 7.418 -4.188 1.00 12.30 H new ATOM 0 HB1 ALA A 56 16.042 7.984 -6.480 1.00 13.81 H new ATOM 0 HB2 ALA A 56 16.316 6.431 -6.343 1.00 13.81 H new ATOM 0 HB3 ALA A 56 14.829 6.974 -6.351 1.00 13.81 H new ATOM 291 N HIS A 57 13.828 8.494 -3.876 1.00 11.86 N ANISOU 291 N HIS A 57 1789 1930 787 104 168 119 N ATOM 292 CA HIS A 57 13.149 9.731 -3.460 1.00 12.94 C ANISOU 292 CA HIS A 57 1836 1942 1136 -89 284 -143 C ATOM 293 C HIS A 57 13.436 10.172 -2.018 1.00 11.65 C ANISOU 293 C HIS A 57 1537 1772 1115 97 -54 159 C ATOM 294 O HIS A 57 13.037 11.242 -1.633 1.00 13.85 O ANISOU 294 O HIS A 57 1772 1871 1618 69 248 148 O ATOM 295 CB HIS A 57 11.639 9.674 -3.713 1.00 17.36 C ANISOU 295 CB HIS A 57 2185 2709 1702 462 -476 -293 C ATOM 296 CG HIS A 57 11.277 9.485 -5.130 1.00 22.78 C ANISOU 296 CG HIS A 57 3801 3016 1837 864 -1296 338 C ATOM 297 ND1 HIS A 57 11.437 8.293 -5.790 1.00 37.29 N ANISOU 297 ND1 HIS A 57 6538 4626 3003 1023 -2060 -748 N ATOM 298 CD2 HIS A 57 10.744 10.331 -6.023 1.00 28.41 C ANISOU 298 CD2 HIS A 57 4450 3875 2468 1469 -1772 501 C ATOM 299 CE1 HIS A 57 11.026 8.415 -7.039 1.00 44.61 C ANISOU 299 CE1 HIS A 57 8584 5517 2846 1143 -2464 -327 C ATOM 300 NE2 HIS A 57 10.538 9.617 -7.181 1.00 37.56 N ANISOU 300 NE2 HIS A 57 6360 5636 2275 834 -1456 -346 N ATOM 0 H HIS A 57 13.336 7.790 -3.912 1.00 11.86 H new ATOM 0 HA HIS A 57 13.539 10.414 -4.028 1.00 12.94 H new ATOM 0 HB2 HIS A 57 11.260 8.949 -3.192 1.00 17.36 H new ATOM 0 HB3 HIS A 57 11.235 10.495 -3.392 1.00 17.36 H new ATOM 0 HD1 HIS A 57 11.757 7.574 -5.443 1.00 37.29 H new ATOM 0 HD2 HIS A 57 10.550 11.230 -5.886 1.00 28.41 H new ATOM 0 HE1 HIS A 57 11.075 7.762 -7.699 1.00 44.61 H new ATOM 301 N CYS A 58 14.158 9.350 -1.298 1.00 11.34 N ANISOU 301 N CYS A 58 1894 1769 643 106 16 -134 N ATOM 302 CA CYS A 58 14.419 9.683 0.113 1.00 12.18 C ANISOU 302 CA CYS A 58 1822 2018 785 -188 -337 -241 C ATOM 303 C CYS A 58 15.222 10.924 0.278 1.00 14.71 C ANISOU 303 C CYS A 58 1915 1700 1974 141 228 -9 C ATOM 304 O CYS A 58 15.053 11.627 1.323 1.00 19.49 O ANISOU 304 O CYS A 58 2811 2219 2372 -27 -151 -622 O ATOM 305 CB CYS A 58 15.139 8.506 0.725 1.00 12.64 C ANISOU 305 CB CYS A 58 2069 2096 638 -139 284 -37 C ATOM 306 SG CYS A 58 14.054 7.074 1.008 1.00 13.83 S ANISOU 306 SG CYS A 58 2182 2217 853 115 -43 -66 S ATOM 0 H CYS A 58 14.504 8.614 -1.578 1.00 11.34 H new ATOM 0 HA CYS A 58 13.574 9.856 0.557 1.00 12.18 H new ATOM 0 HB2 CYS A 58 15.869 8.242 0.143 1.00 12.64 H new ATOM 0 HB3 CYS A 58 15.533 8.778 1.569 1.00 12.64 H new ATOM 307 N LEU A 59 16.057 11.305 -0.677 1.00 15.46 N ANISOU 307 N LEU A 59 1690 2130 2054 2 81 458 N ATOM 308 CA LEU A 59 16.829 12.519 -0.476 1.00 23.42 C ANISOU 308 CA LEU A 59 2371 2760 3768 -206 418 571 C ATOM 309 C LEU A 59 16.233 13.695 -1.183 1.00 23.94 C ANISOU 309 C LEU A 59 2374 2663 4056 -554 -158 901 C ATOM 310 O LEU A 59 16.908 14.710 -1.376 1.00 26.40 O ANISOU 310 O LEU A 59 2891 2883 4254 -730 -425 1308 O ATOM 311 CB LEU A 59 18.334 12.341 -0.675 1.00 24.27 C ANISOU 311 CB LEU A 59 2838 3196 3187 -457 367 251 C ATOM 312 CG LEU A 59 18.888 11.233 0.200 1.00 19.17 C ANISOU 312 CG LEU A 59 2432 3155 1694 134 -107 -1004 C ATOM 313 CD1 LEU A 59 20.387 11.273 -0.125 1.00 21.43 C ANISOU 313 CD1 LEU A 59 2574 2729 2836 138 320 -387 C ATOM 314 CD2 LEU A 59 18.624 11.308 1.692 1.00 26.44 C ANISOU 314 CD2 LEU A 59 3384 4740 1920 183 200 -811 C ATOM 0 H LEU A 59 16.189 10.894 -1.421 1.00 15.46 H new ATOM 0 HA LEU A 59 16.759 12.731 0.468 1.00 23.42 H new ATOM 0 HB2 LEU A 59 18.516 12.140 -1.606 1.00 24.27 H new ATOM 0 HB3 LEU A 59 18.788 13.173 -0.470 1.00 24.27 H new ATOM 0 HG LEU A 59 18.435 10.399 -0.001 1.00 19.17 H new ATOM 0 HD11 LEU A 59 20.848 10.592 0.389 1.00 21.43 H new ATOM 0 HD12 LEU A 59 20.518 11.106 -1.072 1.00 21.43 H new ATOM 0 HD13 LEU A 59 20.744 12.146 0.101 1.00 21.43 H new ATOM 0 HD21 LEU A 59 19.030 10.544 2.131 1.00 26.44 H new ATOM 0 HD22 LEU A 59 19.006 12.126 2.048 1.00 26.44 H new ATOM 0 HD23 LEU A 59 17.667 11.302 1.852 1.00 26.44 H new ATOM 315 N GLU A 60 14.947 13.632 -1.451 1.00 24.37 N ANISOU 315 N GLU A 60 2683 2829 3746 -118 -619 674 N ATOM 316 CA GLU A 60 14.270 14.758 -2.160 1.00 30.59 C ANISOU 316 CA GLU A 60 4002 3169 4452 734 -855 461 C ATOM 317 C GLU A 60 14.420 16.087 -1.446 1.00 30.43 C ANISOU 317 C GLU A 60 3689 2580 5291 -148 -2047 1050 C ATOM 318 O GLU A 60 14.491 17.170 -2.061 1.00 37.64 O ANISOU 318 O GLU A 60 5207 2855 6237 197 -435 1654 O ATOM 319 CB GLU A 60 12.747 14.436 -2.389 1.00 35.02 C ANISOU 319 CB GLU A 60 4912 2681 5711 1938 -1856 1685 C ATOM 320 CG GLU A 60 11.905 14.165 -1.079 1.00 35.99 C ANISOU 320 CG GLU A 60 5076 3042 5557 -581 -1093 120 C ATOM 321 CD GLU A 60 10.453 13.639 -1.314 1.00 37.52 C ANISOU 321 CD GLU A 60 4526 6730 2997 427 -2087 92 C ATOM 322 OE1 GLU A 60 10.147 12.828 -2.307 1.00 30.32 O ANISOU 322 OE1 GLU A 60 3126 3703 4691 223 -1 -619 O ATOM 323 OE2 GLU A 60 9.563 14.021 -0.496 1.00 41.01 O ANISOU 323 OE2 GLU A 60 4120 5897 5564 652 -461 219 O ATOM 0 H GLU A 60 14.436 12.971 -1.246 1.00 24.37 H new ATOM 0 HA GLU A 60 14.715 14.846 -3.017 1.00 30.59 H new ATOM 0 HB2 GLU A 60 12.344 15.178 -2.866 1.00 35.02 H new ATOM 0 HB3 GLU A 60 12.680 13.658 -2.965 1.00 35.02 H new ATOM 0 HG2 GLU A 60 12.382 13.520 -0.533 1.00 35.99 H new ATOM 0 HG3 GLU A 60 11.856 14.988 -0.568 1.00 35.99 H new ATOM 324 N ASP A 61 14.395 16.041 -0.124 1.00 33.99 N ANISOU 324 N ASP A 61 3366 3607 5941 -260 -1014 -54 N ATOM 325 CA ASP A 61 14.244 17.282 0.674 1.00 39.69 C ANISOU 325 CA ASP A 61 5069 3402 6608 -1281 522 180 C ATOM 326 C ASP A 61 15.597 17.564 1.403 1.00 38.97 C ANISOU 326 C ASP A 61 4799 3419 6585 -56 163 -2054 C ATOM 327 O ASP A 61 15.664 18.365 2.380 1.00 31.33 O ANISOU 327 O ASP A 61 3336 3566 4998 -175 1372 -467 O ATOM 328 CB ASP A 61 13.009 17.117 1.595 1.00 46.13 C ANISOU 328 CB ASP A 61 5443 5039 7042 -768 856 -741 C ATOM 329 CG ASP A 61 12.673 18.336 2.360 1.00 65.60 C ANISOU 329 CG ASP A 61 9222 5480 10220 2104 1257 181 C ATOM 330 OD1 ASP A 61 11.950 19.221 1.793 1.00 70.83 O ANISOU 330 OD1 ASP A 61 11509 4074 11328 2341 -402 -240 O ATOM 331 OD2 ASP A 61 13.111 18.343 3.561 1.00 64.69 O ANISOU 331 OD2 ASP A 61 7591 5500 11486 3548 1468 2253 O ATOM 0 H ASP A 61 14.462 15.319 0.339 1.00 33.99 H new ATOM 0 HA ASP A 61 14.068 18.069 0.135 1.00 39.69 H new ATOM 0 HB2 ASP A 61 12.244 16.862 1.055 1.00 46.13 H new ATOM 0 HB3 ASP A 61 13.173 16.390 2.216 1.00 46.13 H new ATOM 332 N ALA A 61A 16.700 16.922 0.939 1.00 31.91 N ANISOU 332 N ALA A 61A 3203 3061 5860 323 -762 142 N ATOM 333 CA ALA A 61A 17.934 16.791 1.698 1.00 31.96 C ANISOU 333 CA ALA A 61A 3741 3551 4851 -390 -606 342 C ATOM 334 C ALA A 61A 19.025 17.806 1.339 1.00 31.44 C ANISOU 334 C ALA A 61A 3563 4281 4101 -595 810 334 C ATOM 335 O ALA A 61A 20.118 17.806 1.948 1.00 31.38 O ANISOU 335 O ALA A 61A 5198 2714 4009 -347 -58 -545 O ATOM 336 CB ALA A 61A 18.466 15.386 1.470 1.00 35.26 C ANISOU 336 CB ALA A 61A 4105 4229 5063 454 -325 -1244 C ATOM 0 H ALA A 61A 16.734 16.552 0.163 1.00 31.91 H new ATOM 0 HA ALA A 61A 17.715 16.968 2.626 1.00 31.96 H new ATOM 0 HB1 ALA A 61A 19.292 15.268 1.965 1.00 35.26 H new ATOM 0 HB2 ALA A 61A 17.811 14.738 1.775 1.00 35.26 H new ATOM 0 HB3 ALA A 61A 18.635 15.253 0.524 1.00 35.26 H new ATOM 337 N ALA A 61B 18.792 18.657 0.372 1.00 33.57 N ANISOU 337 N ALA A 61B 4118 3113 5523 -786 -417 1060 N ATOM 338 CA ALA A 61B 19.962 19.380 -0.295 1.00 38.59 C ANISOU 338 CA ALA A 61B 5933 2877 5853 -1036 950 756 C ATOM 339 C ALA A 61B 20.700 20.303 0.670 1.00 35.26 C ANISOU 339 C ALA A 61B 4457 4364 4574 -884 559 1803 C ATOM 340 O ALA A 61B 21.915 20.581 0.643 1.00 32.46 O ANISOU 340 O ALA A 61B 4819 3504 4011 -1259 1331 -1 O ATOM 341 CB ALA A 61B 19.416 20.206 -1.434 1.00 48.45 C ANISOU 341 CB ALA A 61B 5453 6615 6338 -1185 -791 1339 C ATOM 0 H ALA A 61B 18.013 18.855 0.066 1.00 33.57 H new ATOM 0 HA ALA A 61B 20.594 18.712 -0.604 1.00 38.59 H new ATOM 0 HB1 ALA A 61B 20.144 20.674 -1.872 1.00 48.45 H new ATOM 0 HB2 ALA A 61B 18.975 19.625 -2.073 1.00 48.45 H new ATOM 0 HB3 ALA A 61B 18.778 20.851 -1.090 1.00 48.45 H new ATOM 342 N ASP A 61C 19.910 20.840 1.591 1.00 44.05 N ANISOU 342 N ASP A 61C 6214 4105 6416 221 406 -633 N ATOM 343 CA ASP A 61C 20.450 21.821 2.543 1.00 31.52 C ANISOU 343 CA ASP A 61C 4787 3098 4090 -660 140 1605 C ATOM 344 C ASP A 61C 20.641 21.275 3.910 1.00 25.96 C ANISOU 344 C ASP A 61C 2806 2968 4087 -241 -799 855 C ATOM 345 O ASP A 61C 20.750 22.044 4.876 1.00 37.50 O ANISOU 345 O ASP A 61C 4673 4306 5267 -205 -911 -514 O ATOM 346 CB ASP A 61C 19.472 23.062 2.662 1.00 38.40 C ANISOU 346 CB ASP A 61C 4723 4181 5685 -145 -1518 216 C ATOM 347 CG ASP A 61C 19.533 23.938 1.482 1.00 42.66 C ANISOU 347 CG ASP A 61C 4391 3872 7945 -241 -224 1315 C ATOM 348 OD1 ASP A 61C 20.658 24.137 1.064 1.00 44.22 O ANISOU 348 OD1 ASP A 61C 3357 6104 7341 -850 -1097 797 O ATOM 349 OD2 ASP A 61C 18.480 24.372 0.984 1.00 50.87 O ANISOU 349 OD2 ASP A 61C 5770 4465 9092 -691 -2587 973 O ATOM 0 H ASP A 61C 19.075 20.659 1.687 1.00 44.05 H new ATOM 0 HA ASP A 61C 21.317 22.076 2.190 1.00 31.52 H new ATOM 0 HB2 ASP A 61C 18.563 22.744 2.779 1.00 38.40 H new ATOM 0 HB3 ASP A 61C 19.698 23.574 3.454 1.00 38.40 H new ATOM 350 N GLY A 62 20.727 19.969 4.015 1.00 32.15 N ANISOU 350 N GLY A 62 5126 2702 4387 -250 -185 852 N ATOM 351 CA GLY A 62 20.939 19.368 5.280 1.00 29.61 C ANISOU 351 CA GLY A 62 4651 2948 3649 9 332 755 C ATOM 352 C GLY A 62 21.936 18.218 5.203 1.00 27.36 C ANISOU 352 C GLY A 62 3517 2966 3910 -508 1086 297 C ATOM 353 O GLY A 62 22.521 17.943 4.247 1.00 30.48 O ANISOU 353 O GLY A 62 4430 3714 3434 -885 1390 -257 O ATOM 0 H GLY A 62 20.664 19.420 3.356 1.00 32.15 H new ATOM 0 HA2 GLY A 62 21.263 20.036 5.904 1.00 29.61 H new ATOM 0 HA3 GLY A 62 20.095 19.041 5.628 1.00 29.61 H new ATOM 354 N LYS A 63 22.139 17.571 6.305 1.00 23.84 N ANISOU 354 N LYS A 63 3326 2320 3410 -159 1251 31 N ATOM 355 CA LYS A 63 23.102 16.542 6.387 1.00 21.82 C ANISOU 355 CA LYS A 63 2836 1916 3536 -557 791 373 C ATOM 356 C LYS A 63 22.409 15.179 6.446 1.00 17.61 C ANISOU 356 C LYS A 63 2708 1870 2111 -518 638 -27 C ATOM 357 O LYS A 63 21.523 14.895 7.296 1.00 15.99 O ANISOU 357 O LYS A 63 2348 2237 1490 -533 268 -100 O ATOM 358 CB LYS A 63 23.893 16.807 7.641 1.00 29.07 C ANISOU 358 CB LYS A 63 3918 2746 4381 -1052 -421 -209 C ATOM 359 CG LYS A 63 25.146 15.925 7.715 1.00 33.99 C ANISOU 359 CG LYS A 63 5056 2816 5044 -80 -396 1658 C ATOM 360 CD LYS A 63 25.549 15.830 9.210 1.00 32.46 C ANISOU 360 CD LYS A 63 4951 2688 4694 -2288 1173 1350 C ATOM 361 CE LYS A 63 27.008 15.564 9.562 1.00 35.80 C ANISOU 361 CE LYS A 63 3822 3128 6651 -2326 1718 -393 C ATOM 362 NZ LYS A 63 27.290 14.468 8.594 1.00 43.24 N ANISOU 362 NZ LYS A 63 4910 5551 5968 -1139 14 -616 N ATOM 0 H LYS A 63 21.714 17.721 7.037 1.00 23.84 H new ATOM 0 HA LYS A 63 23.684 16.529 5.611 1.00 21.82 H new ATOM 0 HB2 LYS A 63 24.152 17.741 7.670 1.00 29.07 H new ATOM 0 HB3 LYS A 63 23.335 16.643 8.417 1.00 29.07 H new ATOM 0 HG2 LYS A 63 24.967 15.044 7.352 1.00 33.99 H new ATOM 0 HG3 LYS A 63 25.866 16.308 7.189 1.00 33.99 H new ATOM 0 HD2 LYS A 63 25.291 16.662 9.637 1.00 32.46 H new ATOM 0 HD3 LYS A 63 25.017 15.127 9.614 1.00 32.46 H new ATOM 0 HE2 LYS A 63 27.574 16.340 9.424 1.00 35.80 H new ATOM 0 HE3 LYS A 63 27.126 15.288 10.484 1.00 35.80 H new ATOM 0 HZ1 LYS A 63 27.668 13.785 9.021 1.00 43.24 H new ATOM 0 HZ2 LYS A 63 26.529 14.199 8.220 1.00 43.24 H new ATOM 0 HZ3 LYS A 63 27.842 14.765 7.962 1.00 43.24 H new ATOM 363 N VAL A 64 22.768 14.347 5.517 1.00 17.67 N ANISOU 363 N VAL A 64 2812 2118 1781 129 1035 117 N ATOM 364 CA VAL A 64 22.298 12.985 5.448 1.00 14.32 C ANISOU 364 CA VAL A 64 2327 2237 874 131 -152 231 C ATOM 365 C VAL A 64 23.228 12.056 6.202 1.00 12.41 C ANISOU 365 C VAL A 64 1667 2009 1036 -299 -42 202 C ATOM 366 O VAL A 64 24.456 12.085 6.052 1.00 13.47 O ANISOU 366 O VAL A 64 1741 2388 989 -418 -58 334 O ATOM 367 CB VAL A 64 22.246 12.499 3.997 1.00 17.05 C ANISOU 367 CB VAL A 64 2932 2692 853 359 421 459 C ATOM 368 CG1 VAL A 64 21.726 11.002 3.904 1.00 17.85 C ANISOU 368 CG1 VAL A 64 2590 2899 1294 402 -572 -393 C ATOM 369 CG2 VAL A 64 21.419 13.462 3.206 1.00 20.27 C ANISOU 369 CG2 VAL A 64 3768 2587 1347 365 47 982 C ATOM 0 H VAL A 64 23.310 14.557 4.883 1.00 17.67 H new ATOM 0 HA VAL A 64 21.412 12.972 5.842 1.00 14.32 H new ATOM 0 HB VAL A 64 23.138 12.480 3.617 1.00 17.05 H new ATOM 0 HG11 VAL A 64 21.704 10.724 2.975 1.00 17.85 H new ATOM 0 HG12 VAL A 64 22.322 10.421 4.401 1.00 17.85 H new ATOM 0 HG13 VAL A 64 20.833 10.946 4.279 1.00 17.85 H new ATOM 0 HG21 VAL A 64 21.375 13.169 2.282 1.00 20.27 H new ATOM 0 HG22 VAL A 64 20.523 13.499 3.576 1.00 20.27 H new ATOM 0 HG23 VAL A 64 21.822 14.344 3.246 1.00 20.27 H new ATOM 370 N GLN A 65 22.641 11.240 7.108 1.00 10.96 N ANISOU 370 N GLN A 65 1789 1656 718 -112 125 112 N ATOM 371 CA GLN A 65 23.335 10.306 7.890 1.00 10.02 C ANISOU 371 CA GLN A 65 1600 1536 671 -306 138 -23 C ATOM 372 C GLN A 65 22.643 8.990 7.938 1.00 10.19 C ANISOU 372 C GLN A 65 1571 1579 719 -441 287 -166 C ATOM 373 O GLN A 65 21.476 8.877 7.574 1.00 11.88 O ANISOU 373 O GLN A 65 1600 1954 957 -207 57 183 O ATOM 374 CB GLN A 65 23.600 10.810 9.350 1.00 12.11 C ANISOU 374 CB GLN A 65 1847 2097 656 -370 143 -149 C ATOM 375 CG GLN A 65 24.431 12.047 9.371 1.00 13.54 C ANISOU 375 CG GLN A 65 2099 2208 838 -434 149 -301 C ATOM 376 CD GLN A 65 24.466 12.728 10.746 1.00 13.20 C ANISOU 376 CD GLN A 65 2069 2515 429 -791 7 66 C ATOM 377 OE1 GLN A 65 23.381 13.060 11.252 1.00 18.23 O ANISOU 377 OE1 GLN A 65 2588 3128 1211 -666 585 -547 O ATOM 378 NE2 GLN A 65 25.579 12.822 11.395 1.00 16.85 N ANISOU 378 NE2 GLN A 65 2639 2605 1158 -674 -624 -295 N ATOM 0 H GLN A 65 21.794 11.247 7.259 1.00 10.96 H new ATOM 0 HA GLN A 65 24.192 10.194 7.450 1.00 10.02 H new ATOM 0 HB2 GLN A 65 22.753 10.983 9.790 1.00 12.11 H new ATOM 0 HB3 GLN A 65 24.046 10.113 9.856 1.00 12.11 H new ATOM 0 HG2 GLN A 65 25.337 11.826 9.103 1.00 13.54 H new ATOM 0 HG3 GLN A 65 24.086 12.673 8.715 1.00 13.54 H new ATOM 0 HE21 GLN A 65 26.316 12.585 11.021 1.00 16.85 H new ATOM 0 HE22 GLN A 65 25.583 13.121 12.201 1.00 16.85 H new ATOM 379 N VAL A 66 23.334 7.931 8.347 1.00 10.06 N ANISOU 379 N VAL A 66 1588 1907 324 -174 222 -170 N ATOM 380 CA VAL A 66 22.733 6.595 8.445 1.00 10.25 C ANISOU 380 CA VAL A 66 1302 1932 657 -90 1 28 C ATOM 381 C VAL A 66 23.036 6.044 9.853 1.00 9.82 C ANISOU 381 C VAL A 66 1263 1730 737 -338 -167 41 C ATOM 382 O VAL A 66 24.172 5.948 10.264 1.00 10.23 O ANISOU 382 O VAL A 66 1287 2204 392 -188 75 -132 O ATOM 383 CB VAL A 66 23.320 5.664 7.395 1.00 10.10 C ANISOU 383 CB VAL A 66 1425 1768 644 156 11 228 C ATOM 384 CG1 VAL A 66 22.658 4.344 7.549 1.00 12.62 C ANISOU 384 CG1 VAL A 66 2166 1986 641 -49 90 -401 C ATOM 385 CG2 VAL A 66 23.073 6.163 5.989 1.00 12.12 C ANISOU 385 CG2 VAL A 66 1836 2394 375 -123 47 48 C ATOM 0 H VAL A 66 24.162 7.962 8.576 1.00 10.06 H new ATOM 0 HA VAL A 66 21.776 6.652 8.294 1.00 10.25 H new ATOM 0 HB VAL A 66 24.280 5.613 7.526 1.00 10.10 H new ATOM 0 HG11 VAL A 66 23.012 3.725 6.891 1.00 12.62 H new ATOM 0 HG12 VAL A 66 22.827 3.999 8.440 1.00 12.62 H new ATOM 0 HG13 VAL A 66 21.702 4.444 7.417 1.00 12.62 H new ATOM 0 HG21 VAL A 66 23.462 5.543 5.352 1.00 12.12 H new ATOM 0 HG22 VAL A 66 22.118 6.230 5.832 1.00 12.12 H new ATOM 0 HG23 VAL A 66 23.480 7.036 5.879 1.00 12.12 H new ATOM 386 N LEU A 67 21.920 5.638 10.513 1.00 9.27 N ANISOU 386 N LEU A 67 1305 1999 216 -418 -263 -138 N ATOM 387 CA LEU A 67 22.021 5.085 11.848 1.00 10.21 C ANISOU 387 CA LEU A 67 1757 1934 187 -93 -114 -302 C ATOM 388 C LEU A 67 22.008 3.569 11.738 1.00 9.87 C ANISOU 388 C LEU A 67 1509 2046 195 -182 94 119 C ATOM 389 O LEU A 67 20.988 3.038 11.239 1.00 9.60 O ANISOU 389 O LEU A 67 1433 1835 380 -306 -94 176 O ATOM 390 CB LEU A 67 20.866 5.586 12.621 1.00 9.92 C ANISOU 390 CB LEU A 67 1694 1671 404 -110 79 -61 C ATOM 391 CG LEU A 67 20.862 5.077 14.160 1.00 11.16 C ANISOU 391 CG LEU A 67 1819 1982 440 -289 92 65 C ATOM 392 CD1 LEU A 67 21.971 5.678 14.923 1.00 16.26 C ANISOU 392 CD1 LEU A 67 2182 3230 765 -584 -135 14 C ATOM 393 CD2 LEU A 67 19.499 5.502 14.776 1.00 13.20 C ANISOU 393 CD2 LEU A 67 1981 2266 768 -294 467 134 C ATOM 0 H LEU A 67 21.122 5.681 10.196 1.00 9.27 H new ATOM 0 HA LEU A 67 22.840 5.348 12.296 1.00 10.21 H new ATOM 0 HB2 LEU A 67 20.870 6.556 12.607 1.00 9.92 H new ATOM 0 HB3 LEU A 67 20.046 5.300 12.189 1.00 9.92 H new ATOM 0 HG LEU A 67 20.980 4.115 14.195 1.00 11.16 H new ATOM 0 HD11 LEU A 67 21.945 5.358 15.838 1.00 16.26 H new ATOM 0 HD12 LEU A 67 22.816 5.429 14.517 1.00 16.26 H new ATOM 0 HD13 LEU A 67 21.882 6.644 14.917 1.00 16.26 H new ATOM 0 HD21 LEU A 67 19.458 5.214 15.701 1.00 13.20 H new ATOM 0 HD22 LEU A 67 19.412 6.467 14.734 1.00 13.20 H new ATOM 0 HD23 LEU A 67 18.776 5.091 14.277 1.00 13.20 H new ATOM 394 N LEU A 68 23.069 2.935 12.169 1.00 10.22 N ANISOU 394 N LEU A 68 1524 1997 360 -125 58 -51 N ATOM 395 CA LEU A 68 23.147 1.505 12.181 1.00 10.03 C ANISOU 395 CA LEU A 68 1656 1971 181 -126 -20 -78 C ATOM 396 C LEU A 68 23.135 0.995 13.649 1.00 10.66 C ANISOU 396 C LEU A 68 1900 1799 350 -345 19 154 C ATOM 397 O LEU A 68 23.464 1.754 14.586 1.00 12.25 O ANISOU 397 O LEU A 68 2034 2383 236 -338 -28 -108 O ATOM 398 CB LEU A 68 24.435 0.962 11.520 1.00 10.31 C ANISOU 398 CB LEU A 68 1432 2010 473 -176 100 178 C ATOM 399 CG LEU A 68 24.521 1.307 9.993 1.00 10.71 C ANISOU 399 CG LEU A 68 1714 1964 388 -23 125 44 C ATOM 400 CD1 LEU A 68 25.848 0.760 9.475 1.00 11.46 C ANISOU 400 CD1 LEU A 68 1592 1913 846 -100 50 99 C ATOM 401 CD2 LEU A 68 23.415 0.756 9.241 1.00 12.05 C ANISOU 401 CD2 LEU A 68 1477 2599 503 -61 -31 260 C ATOM 0 H LEU A 68 23.773 3.329 12.467 1.00 10.22 H new ATOM 0 HA LEU A 68 22.382 1.188 11.676 1.00 10.03 H new ATOM 0 HB2 LEU A 68 25.208 1.331 11.975 1.00 10.31 H new ATOM 0 HB3 LEU A 68 24.471 -0.001 11.633 1.00 10.31 H new ATOM 0 HG LEU A 68 24.471 2.269 9.878 1.00 10.71 H new ATOM 0 HD11 LEU A 68 25.933 0.958 8.529 1.00 11.46 H new ATOM 0 HD12 LEU A 68 26.580 1.175 9.958 1.00 11.46 H new ATOM 0 HD13 LEU A 68 25.876 -0.200 9.608 1.00 11.46 H new ATOM 0 HD21 LEU A 68 23.509 0.994 8.305 1.00 12.05 H new ATOM 0 HD22 LEU A 68 23.412 -0.210 9.330 1.00 12.05 H new ATOM 0 HD23 LEU A 68 22.581 1.114 9.583 1.00 12.05 H new ATOM 402 N GLY A 69 22.782 -0.269 13.780 1.00 10.28 N ANISOU 402 N GLY A 69 1857 1885 163 -420 75 142 N ATOM 403 CA GLY A 69 22.857 -0.873 15.138 1.00 10.57 C ANISOU 403 CA GLY A 69 1794 1947 274 -228 2 233 C ATOM 404 C GLY A 69 21.735 -0.464 16.022 1.00 10.96 C ANISOU 404 C GLY A 69 1854 1940 370 -181 333 371 C ATOM 405 O GLY A 69 21.840 -0.738 17.255 1.00 13.91 O ANISOU 405 O GLY A 69 2503 2501 281 -268 180 288 O ATOM 0 H GLY A 69 22.509 -0.785 13.149 1.00 10.28 H new ATOM 0 HA2 GLY A 69 22.861 -1.840 15.056 1.00 10.57 H new ATOM 0 HA3 GLY A 69 23.697 -0.620 15.552 1.00 10.57 H new ATOM 406 N ALA A 70 20.675 0.115 15.587 1.00 11.26 N ANISOU 406 N ALA A 70 1764 1854 660 -149 28 -109 N ATOM 407 CA ALA A 70 19.661 0.742 16.372 1.00 11.34 C ANISOU 407 CA ALA A 70 2007 1782 517 -406 -45 -243 C ATOM 408 C ALA A 70 18.444 -0.105 16.577 1.00 10.95 C ANISOU 408 C ALA A 70 2139 1828 192 -415 124 29 C ATOM 409 O ALA A 70 17.989 -0.913 15.716 1.00 11.68 O ANISOU 409 O ALA A 70 1955 2146 337 -470 105 -34 O ATOM 410 CB ALA A 70 19.264 2.044 15.844 1.00 12.76 C ANISOU 410 CB ALA A 70 2537 1779 532 -335 432 -337 C ATOM 0 H ALA A 70 20.505 0.161 14.745 1.00 11.26 H new ATOM 0 HA ALA A 70 20.080 0.869 17.238 1.00 11.34 H new ATOM 0 HB1 ALA A 70 18.576 2.427 16.410 1.00 12.76 H new ATOM 0 HB2 ALA A 70 20.033 2.635 15.826 1.00 12.76 H new ATOM 0 HB3 ALA A 70 18.919 1.937 14.944 1.00 12.76 H new ATOM 411 N HIS A 71 17.833 0.123 17.730 1.00 12.13 N ANISOU 411 N HIS A 71 2250 2131 226 -630 363 153 N ATOM 412 CA HIS A 71 16.468 -0.288 17.980 1.00 12.79 C ANISOU 412 CA HIS A 71 2290 2197 373 -572 306 -10 C ATOM 413 C HIS A 71 15.634 0.940 18.216 1.00 12.32 C ANISOU 413 C HIS A 71 1978 2216 486 -764 282 -433 C ATOM 414 O HIS A 71 14.683 1.197 17.498 1.00 13.29 O ANISOU 414 O HIS A 71 2096 2433 518 -672 414 -354 O ATOM 415 CB HIS A 71 16.384 -1.312 19.124 1.00 13.19 C ANISOU 415 CB HIS A 71 2142 2369 498 -637 339 283 C ATOM 416 CG HIS A 71 15.014 -1.860 19.202 1.00 13.81 C ANISOU 416 CG HIS A 71 2442 2513 289 -924 492 -271 C ATOM 417 ND1 HIS A 71 14.418 -2.534 18.124 1.00 13.77 N ANISOU 417 ND1 HIS A 71 2378 2111 743 -818 67 -110 N ATOM 418 CD2 HIS A 71 14.174 -1.891 20.241 1.00 15.53 C ANISOU 418 CD2 HIS A 71 2492 2613 795 -648 780 -5 C ATOM 419 CE1 HIS A 71 13.210 -2.899 18.540 1.00 16.44 C ANISOU 419 CE1 HIS A 71 2421 2605 1218 -1180 347 -647 C ATOM 420 NE2 HIS A 71 13.021 -2.500 19.816 1.00 17.51 N ANISOU 420 NE2 HIS A 71 2304 3073 1273 -823 623 -478 N ATOM 0 H HIS A 71 18.205 0.524 18.393 1.00 12.13 H new ATOM 0 HA HIS A 71 16.113 -0.751 17.205 1.00 12.79 H new ATOM 0 HB2 HIS A 71 17.021 -2.029 18.976 1.00 13.19 H new ATOM 0 HB3 HIS A 71 16.622 -0.891 19.965 1.00 13.19 H new ATOM 0 HD2 HIS A 71 14.341 -1.561 21.094 1.00 15.53 H new ATOM 0 HE1 HIS A 71 12.586 -3.361 18.028 1.00 16.44 H new ATOM 0 HE2 HIS A 71 12.305 -2.608 20.280 1.00 17.51 H new ATOM 421 N SER A 72 15.903 1.649 19.300 1.00 12.93 N ANISOU 421 N SER A 72 2350 2382 179 -685 5 -197 N ATOM 422 CA SER A 72 15.348 2.965 19.521 1.00 11.63 C ANISOU 422 CA SER A 72 2007 2153 256 -683 129 -133 C ATOM 423 C SER A 72 16.097 4.053 18.743 1.00 12.27 C ANISOU 423 C SER A 72 1949 2367 345 -683 145 -487 C ATOM 424 O SER A 72 17.315 4.109 18.718 1.00 13.44 O ANISOU 424 O SER A 72 1897 2638 570 -701 108 -124 O ATOM 425 CB SER A 72 15.507 3.288 21.013 1.00 12.14 C ANISOU 425 CB SER A 72 1941 2415 257 -635 357 -236 C ATOM 426 OG SER A 72 15.182 4.615 21.333 1.00 13.69 O ANISOU 426 OG SER A 72 2522 2522 154 -749 250 -142 O ATOM 0 H SER A 72 16.418 1.375 19.932 1.00 12.93 H new ATOM 0 HA SER A 72 14.424 2.956 19.226 1.00 11.63 H new ATOM 0 HB2 SER A 72 14.943 2.690 21.528 1.00 12.14 H new ATOM 0 HB3 SER A 72 16.423 3.113 21.279 1.00 12.14 H new ATOM 0 HG SER A 72 14.364 4.667 21.518 1.00 13.69 H new ATOM 427 N LEU A 73 15.339 4.981 18.202 1.00 12.15 N ANISOU 427 N LEU A 73 2031 2120 465 -443 351 36 N ATOM 428 CA LEU A 73 15.936 6.079 17.551 1.00 13.79 C ANISOU 428 CA LEU A 73 2611 2236 393 -656 152 -62 C ATOM 429 C LEU A 73 16.570 7.076 18.538 1.00 14.13 C ANISOU 429 C LEU A 73 2492 2474 401 -747 337 -138 C ATOM 430 O LEU A 73 17.502 7.793 18.177 1.00 15.96 O ANISOU 430 O LEU A 73 2842 3053 167 -1161 183 -268 O ATOM 431 CB LEU A 73 14.940 6.815 16.673 1.00 13.11 C ANISOU 431 CB LEU A 73 2411 2186 382 -545 373 -213 C ATOM 432 CG LEU A 73 14.350 6.055 15.523 1.00 12.31 C ANISOU 432 CG LEU A 73 2294 2030 350 -561 379 -174 C ATOM 433 CD1 LEU A 73 13.213 6.850 14.912 1.00 15.84 C ANISOU 433 CD1 LEU A 73 2479 2323 1214 -517 190 -354 C ATOM 434 CD2 LEU A 73 15.420 5.714 14.473 1.00 13.85 C ANISOU 434 CD2 LEU A 73 1816 2770 674 -317 74 -204 C ATOM 0 H LEU A 73 14.479 4.980 18.209 1.00 12.15 H new ATOM 0 HA LEU A 73 16.640 5.707 16.998 1.00 13.79 H new ATOM 0 HB2 LEU A 73 14.212 7.122 17.236 1.00 13.11 H new ATOM 0 HB3 LEU A 73 15.377 7.605 16.319 1.00 13.11 H new ATOM 0 HG LEU A 73 13.997 5.214 15.854 1.00 12.31 H new ATOM 0 HD11 LEU A 73 12.834 6.355 14.169 1.00 15.84 H new ATOM 0 HD12 LEU A 73 12.528 7.002 15.581 1.00 15.84 H new ATOM 0 HD13 LEU A 73 13.548 7.703 14.594 1.00 15.84 H new ATOM 0 HD21 LEU A 73 15.012 5.224 13.742 1.00 13.85 H new ATOM 0 HD22 LEU A 73 15.813 6.533 14.133 1.00 13.85 H new ATOM 0 HD23 LEU A 73 16.112 5.170 14.881 1.00 13.85 H new ATOM 435 N SER A 74 16.057 7.134 19.758 1.00 16.06 N ANISOU 435 N SER A 74 3028 2679 394 -1130 519 -277 N ATOM 436 CA SER A 74 16.478 8.194 20.728 1.00 14.65 C ANISOU 436 CA SER A 74 2791 2165 610 -710 12 44 C ATOM 437 C SER A 74 17.379 7.747 21.816 1.00 14.23 C ANISOU 437 C SER A 74 2392 2220 795 -591 -16 -184 C ATOM 438 O SER A 74 18.094 8.572 22.348 1.00 16.34 O ANISOU 438 O SER A 74 2839 2615 752 -814 -28 -189 O ATOM 439 CB SER A 74 15.267 8.901 21.271 1.00 15.98 C ANISOU 439 CB SER A 74 2967 2276 828 -425 82 95 C ATOM 440 OG SER A 74 14.478 7.987 22.029 1.00 14.91 O ANISOU 440 OG SER A 74 2660 2355 647 -482 271 -246 O ATOM 0 H SER A 74 15.469 6.585 20.061 1.00 16.06 H new ATOM 0 HA SER A 74 17.025 8.811 20.216 1.00 14.65 H new ATOM 0 HB2 SER A 74 15.540 9.647 21.829 1.00 15.98 H new ATOM 0 HB3 SER A 74 14.742 9.268 20.543 1.00 15.98 H new ATOM 0 HG SER A 74 13.840 7.710 21.558 1.00 14.91 H new ATOM 441 N GLN A 75 17.315 6.479 22.227 1.00 14.04 N ANISOU 441 N GLN A 75 2699 2338 296 -800 99 -304 N ATOM 442 CA GLN A 75 17.989 6.032 23.488 1.00 14.64 C ANISOU 442 CA GLN A 75 2365 2782 414 -648 -110 -354 C ATOM 443 C GLN A 75 19.379 5.551 23.205 1.00 15.28 C ANISOU 443 C GLN A 75 2090 2729 987 -727 41 -218 C ATOM 444 O GLN A 75 19.590 4.939 22.117 1.00 16.45 O ANISOU 444 O GLN A 75 2550 2877 822 -552 475 -178 O ATOM 445 CB GLN A 75 17.131 4.933 24.140 1.00 14.37 C ANISOU 445 CB GLN A 75 2016 2860 582 -547 -218 38 C ATOM 446 CG GLN A 75 15.770 5.392 24.571 1.00 15.28 C ANISOU 446 CG GLN A 75 2580 2935 288 -410 106 -303 C ATOM 447 CD GLN A 75 15.025 4.468 25.501 1.00 14.59 C ANISOU 447 CD GLN A 75 2520 2866 154 -151 112 48 C ATOM 448 OE1 GLN A 75 14.112 4.948 26.279 1.00 14.57 O ANISOU 448 OE1 GLN A 75 2386 2225 923 -399 446 -11 O ATOM 449 NE2 GLN A 75 15.299 3.171 25.421 1.00 16.02 N ANISOU 449 NE2 GLN A 75 2815 2540 730 -216 283 -64 N ATOM 0 H GLN A 75 16.895 5.857 21.807 1.00 14.04 H new ATOM 0 HA GLN A 75 18.069 6.778 24.103 1.00 14.64 H new ATOM 0 HB2 GLN A 75 17.031 4.200 23.513 1.00 14.37 H new ATOM 0 HB3 GLN A 75 17.603 4.583 24.912 1.00 14.37 H new ATOM 0 HG2 GLN A 75 15.861 6.254 25.005 1.00 15.28 H new ATOM 0 HG3 GLN A 75 15.228 5.530 23.778 1.00 15.28 H new ATOM 0 HE21 GLN A 75 15.916 2.894 24.889 1.00 16.02 H new ATOM 0 HE22 GLN A 75 14.860 2.608 25.901 1.00 16.02 H new ATOM 450 N PRO A 76 20.276 5.634 24.139 1.00 17.88 N ANISOU 450 N PRO A 76 2328 2774 1689 -629 -298 -493 N ATOM 451 CA PRO A 76 21.601 5.079 23.952 1.00 20.02 C ANISOU 451 CA PRO A 76 3056 2979 1572 -351 43 -260 C ATOM 452 C PRO A 76 21.583 3.537 23.942 1.00 19.47 C ANISOU 452 C PRO A 76 3210 2972 1214 -639 13 -321 C ATOM 453 O PRO A 76 20.883 2.870 24.785 1.00 18.25 O ANISOU 453 O PRO A 76 2991 3062 879 -430 71 -289 O ATOM 454 CB PRO A 76 22.348 5.648 25.237 1.00 25.03 C ANISOU 454 CB PRO A 76 2602 3647 3260 -887 -943 -466 C ATOM 455 CG PRO A 76 21.261 5.707 26.231 1.00 26.34 C ANISOU 455 CG PRO A 76 2918 4019 3068 -597 -1365 -468 C ATOM 456 CD PRO A 76 20.084 6.216 25.538 1.00 19.64 C ANISOU 456 CD PRO A 76 2706 3190 1564 -715 -960 -618 C ATOM 0 HA PRO A 76 22.016 5.314 23.107 1.00 20.02 H new ATOM 0 HB2 PRO A 76 23.069 5.066 25.524 1.00 25.03 H new ATOM 0 HB3 PRO A 76 22.736 6.522 25.073 1.00 25.03 H new ATOM 0 HG2 PRO A 76 21.088 4.828 26.604 1.00 26.34 H new ATOM 0 HG3 PRO A 76 21.502 6.286 26.971 1.00 26.34 H new ATOM 0 HD2 PRO A 76 19.259 5.913 25.949 1.00 19.64 H new ATOM 0 HD3 PRO A 76 20.057 7.186 25.529 1.00 19.64 H new ATOM 457 N GLU A 77 22.339 2.957 23.034 1.00 17.09 N ANISOU 457 N GLU A 77 2700 3181 612 -739 -151 -42 N ATOM 458 CA GLU A 77 22.510 1.504 22.868 1.00 15.21 C ANISOU 458 CA GLU A 77 2507 3102 167 -272 -311 12 C ATOM 459 C GLU A 77 23.978 1.272 22.505 1.00 15.75 C ANISOU 459 C GLU A 77 2742 3070 171 -427 33 218 C ATOM 460 O GLU A 77 24.418 1.970 21.643 1.00 16.42 O ANISOU 460 O GLU A 77 2583 3306 348 -727 -244 466 O ATOM 461 CB GLU A 77 21.551 0.967 21.827 1.00 15.72 C ANISOU 461 CB GLU A 77 2510 3145 317 -301 -496 223 C ATOM 462 CG GLU A 77 20.003 1.347 22.070 1.00 17.09 C ANISOU 462 CG GLU A 77 2784 3176 534 -525 -509 -57 C ATOM 463 CD GLU A 77 19.080 1.053 20.951 1.00 16.30 C ANISOU 463 CD GLU A 77 2594 3337 262 -531 -66 -470 C ATOM 464 OE1 GLU A 77 19.527 0.821 19.825 1.00 17.60 O ANISOU 464 OE1 GLU A 77 2911 3257 516 -680 419 -553 O ATOM 465 OE2 GLU A 77 17.864 0.923 21.153 1.00 15.57 O ANISOU 465 OE2 GLU A 77 2517 3067 330 -369 -103 -487 O ATOM 0 H GLU A 77 22.795 3.411 22.463 1.00 17.09 H new ATOM 0 HA GLU A 77 22.299 1.022 23.683 1.00 15.21 H new ATOM 0 HB2 GLU A 77 21.819 1.300 20.956 1.00 15.72 H new ATOM 0 HB3 GLU A 77 21.633 0.001 21.799 1.00 15.72 H new ATOM 0 HG2 GLU A 77 19.691 0.872 22.856 1.00 17.09 H new ATOM 0 HG3 GLU A 77 19.948 2.294 22.271 1.00 17.09 H new ATOM 466 N PRO A 78 24.714 0.290 23.060 1.00 18.94 N ANISOU 466 N PRO A 78 2725 3956 512 -569 44 431 N ATOM 467 CA PRO A 78 26.098 0.128 22.718 1.00 18.84 C ANISOU 467 CA PRO A 78 2893 3507 754 -195 -240 630 C ATOM 468 C PRO A 78 26.409 -0.034 21.236 1.00 16.64 C ANISOU 468 C PRO A 78 2398 3235 686 -582 -401 544 C ATOM 469 O PRO A 78 27.427 0.407 20.847 1.00 18.22 O ANISOU 469 O PRO A 78 2617 3415 888 -748 -18 -115 O ATOM 470 CB PRO A 78 26.516 -1.132 23.451 1.00 23.71 C ANISOU 470 CB PRO A 78 3581 4244 1180 428 -128 1142 C ATOM 471 CG PRO A 78 25.547 -1.324 24.588 1.00 26.44 C ANISOU 471 CG PRO A 78 4126 3826 2094 126 546 922 C ATOM 472 CD PRO A 78 24.257 -0.594 24.190 1.00 21.33 C ANISOU 472 CD PRO A 78 3218 3670 1214 -735 -79 893 C ATOM 0 HA PRO A 78 26.574 0.937 22.965 1.00 18.84 H new ATOM 0 HB2 PRO A 78 26.501 -1.897 22.855 1.00 23.71 H new ATOM 0 HB3 PRO A 78 27.423 -1.050 23.784 1.00 23.71 H new ATOM 0 HG2 PRO A 78 25.377 -2.267 24.741 1.00 26.44 H new ATOM 0 HG3 PRO A 78 25.907 -0.963 25.413 1.00 26.44 H new ATOM 0 HD2 PRO A 78 23.565 -1.212 23.907 1.00 21.33 H new ATOM 0 HD3 PRO A 78 23.893 -0.078 24.926 1.00 21.33 H new ATOM 473 N SER A 79 25.567 -0.710 20.502 1.00 17.45 N ANISOU 473 N SER A 79 2910 3285 434 -412 -442 625 N ATOM 474 CA SER A 79 25.801 -0.943 19.094 1.00 15.65 C ANISOU 474 CA SER A 79 2499 2936 511 -178 -432 502 C ATOM 475 C SER A 79 25.355 0.191 18.229 1.00 15.34 C ANISOU 475 C SER A 79 2477 2801 549 -137 -618 480 C ATOM 476 O SER A 79 25.587 0.141 16.976 1.00 16.33 O ANISOU 476 O SER A 79 2449 3321 434 -14 -442 224 O ATOM 477 CB SER A 79 25.065 -2.235 18.720 1.00 18.50 C ANISOU 477 CB SER A 79 2626 3182 1221 -282 -612 1 C ATOM 478 OG SER A 79 23.667 -2.086 18.884 1.00 17.81 O ANISOU 478 OG SER A 79 2740 3103 922 -339 -621 520 O ATOM 0 H SER A 79 24.837 -1.052 20.801 1.00 17.45 H new ATOM 0 HA SER A 79 26.756 -1.021 18.941 1.00 15.65 H new ATOM 0 HB2 SER A 79 25.263 -2.470 17.800 1.00 18.50 H new ATOM 0 HB3 SER A 79 25.383 -2.965 19.274 1.00 18.50 H new ATOM 0 HG SER A 79 23.349 -1.679 18.222 1.00 17.81 H new ATOM 479 N LYS A 80 24.673 1.210 18.678 1.00 14.52 N ANISOU 479 N LYS A 80 1906 3131 479 -209 -399 337 N ATOM 480 CA LYS A 80 24.170 2.300 17.808 1.00 15.99 C ANISOU 480 CA LYS A 80 2388 3157 530 -6 -477 113 C ATOM 481 C LYS A 80 25.315 3.164 17.383 1.00 16.00 C ANISOU 481 C LYS A 80 3037 2355 685 -548 -717 382 C ATOM 482 O LYS A 80 26.127 3.641 18.173 1.00 20.18 O ANISOU 482 O LYS A 80 3657 2849 1162 -893 -926 116 O ATOM 483 CB LYS A 80 23.257 3.278 18.602 1.00 20.59 C ANISOU 483 CB LYS A 80 2562 3281 1978 -198 326 210 C ATOM 484 CG LYS A 80 21.933 3.002 18.374 1.00 20.03 C ANISOU 484 CG LYS A 80 2852 4020 737 -559 251 -1192 C ATOM 485 CD LYS A 80 20.857 3.781 19.119 1.00 18.42 C ANISOU 485 CD LYS A 80 2142 3483 1372 -436 159 -891 C ATOM 486 CE LYS A 80 20.700 5.271 18.811 1.00 19.24 C ANISOU 486 CE LYS A 80 2879 3528 901 -390 -175 -967 C ATOM 487 NZ LYS A 80 19.480 5.802 19.440 1.00 16.78 N ANISOU 487 NZ LYS A 80 2594 2873 908 -738 191 -596 N ATOM 0 H LYS A 80 24.473 1.312 19.508 1.00 14.52 H new ATOM 0 HA LYS A 80 23.702 1.874 17.073 1.00 15.99 H new ATOM 0 HB2 LYS A 80 23.448 3.207 19.550 1.00 20.59 H new ATOM 0 HB3 LYS A 80 23.451 4.192 18.341 1.00 20.59 H new ATOM 0 HG2 LYS A 80 21.772 3.122 17.425 1.00 20.03 H new ATOM 0 HG3 LYS A 80 21.796 2.062 18.568 1.00 20.03 H new ATOM 0 HD2 LYS A 80 20.005 3.351 18.944 1.00 18.42 H new ATOM 0 HD3 LYS A 80 21.031 3.691 20.069 1.00 18.42 H new ATOM 0 HE2 LYS A 80 21.475 5.757 19.134 1.00 19.24 H new ATOM 0 HE3 LYS A 80 20.661 5.406 17.851 1.00 19.24 H new ATOM 0 HZ1 LYS A 80 19.447 6.684 19.326 1.00 16.78 H new ATOM 0 HZ2 LYS A 80 18.765 5.428 19.064 1.00 16.78 H new ATOM 0 HZ3 LYS A 80 19.489 5.616 20.310 1.00 16.78 H new ATOM 488 N ARG A 81 25.355 3.465 16.086 1.00 14.41 N ANISOU 488 N ARG A 81 2163 2740 569 -376 -227 181 N ATOM 489 CA ARG A 81 26.377 4.403 15.560 1.00 15.21 C ANISOU 489 CA ARG A 81 2407 2898 473 -489 -568 176 C ATOM 490 C ARG A 81 25.757 5.100 14.392 1.00 12.78 C ANISOU 490 C ARG A 81 1698 2494 662 -557 -338 191 C ATOM 491 O ARG A 81 25.170 4.478 13.487 1.00 14.59 O ANISOU 491 O ARG A 81 2191 2837 513 -808 -575 360 O ATOM 492 CB ARG A 81 27.643 3.733 15.128 1.00 17.13 C ANISOU 492 CB ARG A 81 2450 3195 863 -473 -467 116 C ATOM 493 CG ARG A 81 28.610 4.834 14.807 1.00 25.58 C ANISOU 493 CG ARG A 81 2717 4405 2595 -835 -636 309 C ATOM 494 CD ARG A 81 29.997 4.328 14.618 1.00 28.89 C ANISOU 494 CD ARG A 81 2914 5609 2452 -459 127 -1541 C ATOM 495 NE ARG A 81 30.828 5.276 13.797 1.00 31.98 N ANISOU 495 NE ARG A 81 2535 5652 3965 -888 744 -1778 N ATOM 496 CZ ARG A 81 31.967 4.963 13.182 1.00 31.62 C ANISOU 496 CZ ARG A 81 2969 4820 4223 -991 1160 -1677 C ATOM 497 NH1 ARG A 81 32.465 3.795 13.370 1.00 33.68 N ANISOU 497 NH1 ARG A 81 3153 4554 5089 -509 -682 -732 N ATOM 498 NH2 ARG A 81 32.606 5.891 12.425 1.00 39.85 N ANISOU 498 NH2 ARG A 81 3984 4865 6291 -1282 254 -631 N ATOM 0 H ARG A 81 24.815 3.149 15.496 1.00 14.41 H new ATOM 0 HA ARG A 81 26.633 5.012 16.270 1.00 15.21 H new ATOM 0 HB2 ARG A 81 27.990 3.161 15.831 1.00 17.13 H new ATOM 0 HB3 ARG A 81 27.490 3.169 14.353 1.00 17.13 H new ATOM 0 HG2 ARG A 81 28.322 5.291 14.001 1.00 25.58 H new ATOM 0 HG3 ARG A 81 28.601 5.489 15.523 1.00 25.58 H new ATOM 0 HD2 ARG A 81 30.415 4.197 15.484 1.00 28.89 H new ATOM 0 HD3 ARG A 81 29.969 3.462 14.183 1.00 28.89 H new ATOM 0 HE ARG A 81 30.545 6.084 13.719 1.00 31.98 H new ATOM 0 HH11 ARG A 81 32.064 3.234 13.884 1.00 33.68 H new ATOM 0 HH12 ARG A 81 33.200 3.573 12.982 1.00 33.68 H new ATOM 0 HH21 ARG A 81 32.275 6.681 12.343 1.00 39.85 H new ATOM 0 HH22 ARG A 81 33.342 5.689 12.028 1.00 39.85 H new ATOM 499 N LEU A 82 25.876 6.423 14.384 1.00 15.56 N ANISOU 499 N LEU A 82 2731 2478 702 -913 -474 244 N ATOM 500 CA LEU A 82 25.406 7.280 13.328 1.00 14.93 C ANISOU 500 CA LEU A 82 2439 2493 738 -799 -238 406 C ATOM 501 C LEU A 82 26.598 7.581 12.439 1.00 15.95 C ANISOU 501 C LEU A 82 2283 3010 765 -940 -419 -97 C ATOM 502 O LEU A 82 27.623 8.177 12.851 1.00 21.03 O ANISOU 502 O LEU A 82 3003 4290 698 -1573 -177 -243 O ATOM 503 CB LEU A 82 24.832 8.579 14.026 1.00 14.98 C ANISOU 503 CB LEU A 82 2745 2551 394 -1202 -415 -64 C ATOM 504 CG LEU A 82 24.198 9.616 13.092 1.00 16.87 C ANISOU 504 CG LEU A 82 3342 2289 778 -879 -197 -138 C ATOM 505 CD1 LEU A 82 22.930 8.973 12.513 1.00 14.88 C ANISOU 505 CD1 LEU A 82 2718 2255 679 -267 99 -107 C ATOM 506 CD2 LEU A 82 23.879 10.820 13.945 1.00 19.30 C ANISOU 506 CD2 LEU A 82 3695 2326 1310 -1241 319 -421 C ATOM 0 H LEU A 82 26.250 6.856 15.026 1.00 15.56 H new ATOM 0 HA LEU A 82 24.709 6.886 12.780 1.00 14.93 H new ATOM 0 HB2 LEU A 82 24.167 8.308 14.678 1.00 14.98 H new ATOM 0 HB3 LEU A 82 25.552 9.007 14.515 1.00 14.98 H new ATOM 0 HG LEU A 82 24.771 9.890 12.359 1.00 16.87 H new ATOM 0 HD11 LEU A 82 22.495 9.599 11.913 1.00 14.88 H new ATOM 0 HD12 LEU A 82 23.168 8.170 12.025 1.00 14.88 H new ATOM 0 HD13 LEU A 82 22.324 8.744 13.235 1.00 14.88 H new ATOM 0 HD21 LEU A 82 23.473 11.508 13.395 1.00 19.30 H new ATOM 0 HD22 LEU A 82 23.263 10.564 14.649 1.00 19.30 H new ATOM 0 HD23 LEU A 82 24.696 11.162 14.340 1.00 19.30 H new ATOM 507 N TYR A 83 26.482 7.110 11.217 1.00 12.75 N ANISOU 507 N TYR A 83 1859 2289 694 -543 -285 -100 N ATOM 508 CA TYR A 83 27.533 7.350 10.223 1.00 12.31 C ANISOU 508 CA TYR A 83 1609 2178 890 -346 -453 129 C ATOM 509 C TYR A 83 27.188 8.545 9.316 1.00 10.57 C ANISOU 509 C TYR A 83 1680 1913 421 -484 -18 -252 C ATOM 510 O TYR A 83 26.028 8.717 8.857 1.00 12.41 O ANISOU 510 O TYR A 83 1556 2448 709 -425 66 -59 O ATOM 511 CB TYR A 83 27.636 6.120 9.362 1.00 13.61 C ANISOU 511 CB TYR A 83 1627 2549 995 -183 -207 -247 C ATOM 512 CG TYR A 83 28.248 4.950 10.064 1.00 12.53 C ANISOU 512 CG TYR A 83 1451 2484 825 -276 -15 -378 C ATOM 513 CD1 TYR A 83 27.485 4.075 10.811 1.00 13.01 C ANISOU 513 CD1 TYR A 83 1888 2293 762 -332 106 -452 C ATOM 514 CD2 TYR A 83 29.587 4.659 9.988 1.00 13.93 C ANISOU 514 CD2 TYR A 83 1486 2726 1078 -89 98 180 C ATOM 515 CE1 TYR A 83 28.046 3.044 11.507 1.00 14.64 C ANISOU 515 CE1 TYR A 83 2214 2466 882 -267 -393 -195 C ATOM 516 CE2 TYR A 83 30.150 3.575 10.646 1.00 15.11 C ANISOU 516 CE2 TYR A 83 1757 2674 1309 26 -477 -93 C ATOM 517 CZ TYR A 83 29.377 2.778 11.465 1.00 15.05 C ANISOU 517 CZ TYR A 83 1937 2645 1136 -263 -60 -277 C ATOM 518 OH TYR A 83 30.011 1.748 12.197 1.00 17.57 O ANISOU 518 OH TYR A 83 2367 2907 1401 124 -32 8 O ATOM 0 H TYR A 83 25.812 6.651 10.933 1.00 12.75 H new ATOM 0 HA TYR A 83 28.364 7.545 10.684 1.00 12.31 H new ATOM 0 HB2 TYR A 83 26.750 5.875 9.053 1.00 13.61 H new ATOM 0 HB3 TYR A 83 28.164 6.328 8.575 1.00 13.61 H new ATOM 0 HD1 TYR A 83 26.563 4.191 10.841 1.00 13.01 H new ATOM 0 HD2 TYR A 83 30.137 5.208 9.477 1.00 13.93 H new ATOM 0 HE1 TYR A 83 27.497 2.504 12.029 1.00 14.64 H new ATOM 0 HE2 TYR A 83 31.053 3.385 10.534 1.00 15.11 H new ATOM 0 HH TYR A 83 29.473 1.113 12.312 1.00 17.57 H new ATOM 519 N ASP A 84 28.214 9.298 9.000 1.00 12.37 N ANISOU 519 N ASP A 84 1439 2092 1168 -622 -348 50 N ATOM 520 CA ASP A 84 28.138 10.272 7.914 1.00 13.29 C ANISOU 520 CA ASP A 84 1869 2069 1109 -611 -144 -240 C ATOM 521 C ASP A 84 28.209 9.523 6.580 1.00 11.98 C ANISOU 521 C ASP A 84 1858 2026 665 -461 -18 -70 C ATOM 522 O ASP A 84 28.590 8.386 6.492 1.00 13.55 O ANISOU 522 O ASP A 84 1799 2272 1077 -253 -67 -43 O ATOM 523 CB ASP A 84 29.259 11.293 8.040 1.00 16.16 C ANISOU 523 CB ASP A 84 2041 2593 1506 -833 -23 68 C ATOM 524 CG ASP A 84 29.135 12.079 9.361 1.00 20.51 C ANISOU 524 CG ASP A 84 2426 2761 2606 -611 350 -810 C ATOM 525 OD1 ASP A 84 28.059 12.546 9.612 1.00 28.39 O ANISOU 525 OD1 ASP A 84 3167 3009 4611 -486 830 -1384 O ATOM 526 OD2 ASP A 84 30.147 12.221 10.013 1.00 27.89 O ANISOU 526 OD2 ASP A 84 4437 4446 1710 -1242 19 -259 O ATOM 0 H ASP A 84 28.975 9.268 9.400 1.00 12.37 H new ATOM 0 HA ASP A 84 27.300 10.758 7.959 1.00 13.29 H new ATOM 0 HB2 ASP A 84 30.118 10.843 8.005 1.00 16.16 H new ATOM 0 HB3 ASP A 84 29.230 11.907 7.289 1.00 16.16 H new ATOM 527 N VAL A 85 27.683 10.256 5.594 1.00 14.18 N ANISOU 527 N VAL A 85 2459 2135 793 -131 68 -32 N ATOM 528 CA VAL A 85 27.639 9.709 4.217 1.00 12.50 C ANISOU 528 CA VAL A 85 2153 1664 930 -298 400 -17 C ATOM 529 C VAL A 85 28.634 10.454 3.328 1.00 11.63 C ANISOU 529 C VAL A 85 2085 2008 326 -528 -261 115 C ATOM 530 O VAL A 85 28.621 11.665 3.161 1.00 14.67 O ANISOU 530 O VAL A 85 2641 1950 982 -540 -150 237 O ATOM 531 CB VAL A 85 26.230 9.850 3.703 1.00 13.84 C ANISOU 531 CB VAL A 85 2303 2028 926 -240 221 -66 C ATOM 532 CG1 VAL A 85 26.155 9.551 2.207 1.00 13.76 C ANISOU 532 CG1 VAL A 85 1851 2409 967 -136 146 148 C ATOM 533 CG2 VAL A 85 25.269 8.853 4.413 1.00 15.99 C ANISOU 533 CG2 VAL A 85 2277 2710 1087 -428 472 -226 C ATOM 0 H VAL A 85 27.355 11.046 5.687 1.00 14.18 H new ATOM 0 HA VAL A 85 27.890 8.772 4.211 1.00 12.50 H new ATOM 0 HB VAL A 85 25.965 10.766 3.882 1.00 13.84 H new ATOM 0 HG11 VAL A 85 25.239 9.649 1.903 1.00 13.76 H new ATOM 0 HG12 VAL A 85 26.724 10.171 1.724 1.00 13.76 H new ATOM 0 HG13 VAL A 85 26.454 8.643 2.043 1.00 13.76 H new ATOM 0 HG21 VAL A 85 24.371 8.965 4.064 1.00 15.99 H new ATOM 0 HG22 VAL A 85 25.568 7.944 4.251 1.00 15.99 H new ATOM 0 HG23 VAL A 85 25.269 9.027 5.367 1.00 15.99 H new ATOM 534 N LEU A 86 29.527 9.642 2.720 1.00 13.67 N ANISOU 534 N LEU A 86 2016 2218 960 -482 -51 166 N ATOM 535 CA LEU A 86 30.564 10.232 1.812 1.00 13.82 C ANISOU 535 CA LEU A 86 1944 2238 1068 -633 -32 2 C ATOM 536 C LEU A 86 29.948 10.605 0.460 1.00 15.15 C ANISOU 536 C LEU A 86 1497 3008 1251 -375 -48 314 C ATOM 537 O LEU A 86 30.229 11.673 -0.091 1.00 17.99 O ANISOU 537 O LEU A 86 2154 3269 1413 -1048 290 372 O ATOM 538 CB LEU A 86 31.623 9.160 1.595 1.00 17.77 C ANISOU 538 CB LEU A 86 1551 3224 1976 -286 -288 -135 C ATOM 539 CG LEU A 86 32.951 9.392 1.022 1.00 22.20 C ANISOU 539 CG LEU A 86 2122 3046 3264 -430 68 754 C ATOM 540 CD1 LEU A 86 33.627 10.642 1.544 1.00 23.08 C ANISOU 540 CD1 LEU A 86 1717 3259 3792 -1109 -448 1474 C ATOM 541 CD2 LEU A 86 33.748 8.127 1.413 1.00 28.77 C ANISOU 541 CD2 LEU A 86 2322 3600 5008 -70 -1227 424 C ATOM 0 H LEU A 86 29.557 8.787 2.808 1.00 13.67 H new ATOM 0 HA LEU A 86 30.938 11.035 2.206 1.00 13.82 H new ATOM 0 HB2 LEU A 86 31.775 8.757 2.464 1.00 17.77 H new ATOM 0 HB3 LEU A 86 31.207 8.484 1.037 1.00 17.77 H new ATOM 0 HG LEU A 86 32.897 9.538 0.065 1.00 22.20 H new ATOM 0 HD11 LEU A 86 34.498 10.737 1.127 1.00 23.08 H new ATOM 0 HD12 LEU A 86 33.082 11.417 1.334 1.00 23.08 H new ATOM 0 HD13 LEU A 86 33.735 10.574 2.506 1.00 23.08 H new ATOM 0 HD21 LEU A 86 34.653 8.195 1.070 1.00 28.77 H new ATOM 0 HD22 LEU A 86 33.775 8.047 2.379 1.00 28.77 H new ATOM 0 HD23 LEU A 86 33.318 7.344 1.036 1.00 28.77 H new ATOM 542 N ARG A 87 29.065 9.731 -0.031 1.00 14.97 N ANISOU 542 N ARG A 87 1815 3107 766 -758 -107 123 N ATOM 543 CA ARG A 87 28.441 9.833 -1.332 1.00 15.41 C ANISOU 543 CA ARG A 87 1846 3222 787 -450 -92 348 C ATOM 544 C ARG A 87 27.077 9.284 -1.338 1.00 13.20 C ANISOU 544 C ARG A 87 1931 2606 478 -404 -449 158 C ATOM 545 O ARG A 87 26.906 8.188 -0.846 1.00 13.19 O ANISOU 545 O ARG A 87 1786 2327 896 -240 -327 297 O ATOM 546 CB ARG A 87 29.227 8.967 -2.420 1.00 22.59 C ANISOU 546 CB ARG A 87 2180 5161 1242 355 45 49 C ATOM 547 CG ARG A 87 30.027 9.761 -3.218 1.00 37.32 C ANISOU 547 CG ARG A 87 5337 5256 3586 -247 1372 -693 C ATOM 548 CD ARG A 87 30.150 9.074 -4.533 1.00 36.79 C ANISOU 548 CD ARG A 87 4266 4883 4828 -1513 148 -2341 C ATOM 549 NE ARG A 87 30.867 7.800 -4.321 1.00 35.42 N ANISOU 549 NE ARG A 87 4058 5333 4067 -719 1684 -1958 N ATOM 550 CZ ARG A 87 30.898 6.775 -5.206 1.00 33.78 C ANISOU 550 CZ ARG A 87 3950 5853 3031 -585 526 -1728 C ATOM 551 NH1 ARG A 87 30.122 6.739 -6.366 1.00 26.44 N ANISOU 551 NH1 ARG A 87 3060 4419 2567 -480 1127 289 N ATOM 552 NH2 ARG A 87 31.681 5.714 -4.854 1.00 31.44 N ANISOU 552 NH2 ARG A 87 3671 5639 2633 -1690 780 512 N ATOM 0 H ARG A 87 28.809 9.038 0.410 1.00 14.97 H new ATOM 0 HA ARG A 87 28.445 10.781 -1.538 1.00 15.41 H new ATOM 0 HB2 ARG A 87 29.773 8.302 -1.973 1.00 22.59 H new ATOM 0 HB3 ARG A 87 28.591 8.487 -2.973 1.00 22.59 H new ATOM 0 HG2 ARG A 87 29.636 10.642 -3.327 1.00 37.32 H new ATOM 0 HG3 ARG A 87 30.900 9.885 -2.813 1.00 37.32 H new ATOM 0 HD2 ARG A 87 29.273 8.910 -4.912 1.00 36.79 H new ATOM 0 HD3 ARG A 87 30.631 9.633 -5.163 1.00 36.79 H new ATOM 0 HE ARG A 87 31.296 7.702 -3.582 1.00 35.42 H new ATOM 0 HH11 ARG A 87 29.590 7.390 -6.548 1.00 26.44 H new ATOM 0 HH12 ARG A 87 30.176 6.066 -6.899 1.00 26.44 H new ATOM 0 HH21 ARG A 87 32.114 5.727 -4.111 1.00 31.44 H new ATOM 0 HH22 ARG A 87 31.741 5.033 -5.375 1.00 31.44 H new ATOM 553 N ALA A 88 26.135 9.982 -1.966 1.00 12.70 N ANISOU 553 N ALA A 88 1743 2522 557 -409 -305 358 N ATOM 554 CA ALA A 88 24.793 9.456 -2.218 1.00 12.07 C ANISOU 554 CA ALA A 88 1583 2000 1000 -265 -190 62 C ATOM 555 C ALA A 88 24.595 9.280 -3.727 1.00 12.19 C ANISOU 555 C ALA A 88 1901 1834 897 -107 -212 316 C ATOM 556 O ALA A 88 24.887 10.173 -4.469 1.00 15.70 O ANISOU 556 O ALA A 88 3166 1865 934 -355 -399 193 O ATOM 557 CB ALA A 88 23.755 10.407 -1.735 1.00 12.87 C ANISOU 557 CB ALA A 88 1619 2331 938 -132 75 123 C ATOM 0 H ALA A 88 26.256 10.781 -2.261 1.00 12.70 H new ATOM 0 HA ALA A 88 24.706 8.610 -1.751 1.00 12.07 H new ATOM 0 HB1 ALA A 88 22.874 10.041 -1.911 1.00 12.87 H new ATOM 0 HB2 ALA A 88 23.862 10.547 -0.781 1.00 12.87 H new ATOM 0 HB3 ALA A 88 23.851 11.254 -2.198 1.00 12.87 H new ATOM 558 N VAL A 89 24.190 8.096 -4.117 1.00 10.78 N ANISOU 558 N VAL A 89 1780 1972 341 -180 36 314 N ATOM 559 CA VAL A 89 24.125 7.688 -5.513 1.00 10.41 C ANISOU 559 CA VAL A 89 1646 2050 257 -260 33 410 C ATOM 560 C VAL A 89 22.701 7.195 -5.824 1.00 9.59 C ANISOU 560 C VAL A 89 1609 1900 135 -216 -10 124 C ATOM 561 O VAL A 89 22.366 6.020 -5.687 1.00 10.12 O ANISOU 561 O VAL A 89 1664 1785 395 83 61 139 O ATOM 562 CB VAL A 89 25.129 6.569 -5.819 1.00 11.62 C ANISOU 562 CB VAL A 89 1776 2258 379 -64 -79 250 C ATOM 563 CG1 VAL A 89 25.187 6.320 -7.353 1.00 13.23 C ANISOU 563 CG1 VAL A 89 2146 2394 485 -83 366 53 C ATOM 564 CG2 VAL A 89 26.546 6.906 -5.294 1.00 13.05 C ANISOU 564 CG2 VAL A 89 1633 2193 1132 -210 286 107 C ATOM 0 H VAL A 89 23.936 7.484 -3.569 1.00 10.78 H new ATOM 0 HA VAL A 89 24.350 8.452 -6.066 1.00 10.41 H new ATOM 0 HB VAL A 89 24.826 5.768 -5.363 1.00 11.62 H new ATOM 0 HG11 VAL A 89 25.823 5.612 -7.542 1.00 13.23 H new ATOM 0 HG12 VAL A 89 24.309 6.059 -7.672 1.00 13.23 H new ATOM 0 HG13 VAL A 89 25.466 7.133 -7.803 1.00 13.23 H new ATOM 0 HG21 VAL A 89 27.151 6.178 -5.505 1.00 13.05 H new ATOM 0 HG22 VAL A 89 26.862 7.721 -5.715 1.00 13.05 H new ATOM 0 HG23 VAL A 89 26.514 7.031 -4.333 1.00 13.05 H new ATOM 565 N PRO A 90 21.812 8.149 -6.182 1.00 11.33 N ANISOU 565 N PRO A 90 1767 2122 415 -37 135 337 N ATOM 566 CA PRO A 90 20.535 7.754 -6.675 1.00 10.89 C ANISOU 566 CA PRO A 90 1595 2139 402 60 -146 153 C ATOM 567 C PRO A 90 20.629 7.035 -8.027 1.00 10.74 C ANISOU 567 C PRO A 90 1667 2094 318 -78 40 315 C ATOM 568 O PRO A 90 21.519 7.333 -8.802 1.00 11.95 O ANISOU 568 O PRO A 90 1839 2558 142 -434 62 159 O ATOM 569 CB PRO A 90 19.749 9.057 -6.812 1.00 12.97 C ANISOU 569 CB PRO A 90 2145 2151 631 108 -29 356 C ATOM 570 CG PRO A 90 20.767 10.077 -7.071 1.00 14.95 C ANISOU 570 CG PRO A 90 2161 2142 1376 198 -22 365 C ATOM 571 CD PRO A 90 22.010 9.593 -6.279 1.00 13.27 C ANISOU 571 CD PRO A 90 2083 2176 782 -124 -156 414 C ATOM 0 HA PRO A 90 20.110 7.120 -6.076 1.00 10.89 H new ATOM 0 HB2 PRO A 90 19.107 9.007 -7.537 1.00 12.97 H new ATOM 0 HB3 PRO A 90 19.249 9.254 -6.004 1.00 12.97 H new ATOM 0 HG2 PRO A 90 20.959 10.152 -8.019 1.00 14.95 H new ATOM 0 HG3 PRO A 90 20.475 10.952 -6.771 1.00 14.95 H new ATOM 0 HD2 PRO A 90 22.835 9.810 -6.741 1.00 13.27 H new ATOM 0 HD3 PRO A 90 22.058 10.006 -5.403 1.00 13.27 H new ATOM 572 N HIS A 91 19.707 6.126 -8.255 1.00 10.28 N ANISOU 572 N HIS A 91 1462 2249 193 -158 -43 191 N ATOM 573 CA HIS A 91 19.763 5.469 -9.598 1.00 10.11 C ANISOU 573 CA HIS A 91 1399 2094 346 127 -212 224 C ATOM 574 C HIS A 91 19.594 6.525 -10.698 1.00 12.30 C ANISOU 574 C HIS A 91 2071 2380 221 322 79 359 C ATOM 575 O HIS A 91 18.720 7.374 -10.630 1.00 12.08 O ANISOU 575 O HIS A 91 1869 2389 331 330 48 359 O ATOM 576 CB HIS A 91 18.622 4.460 -9.729 1.00 11.26 C ANISOU 576 CB HIS A 91 1804 2309 165 -286 -240 134 C ATOM 577 CG HIS A 91 18.726 3.550 -10.909 1.00 10.08 C ANISOU 577 CG HIS A 91 1483 2081 265 177 -83 155 C ATOM 578 ND1 HIS A 91 18.542 3.992 -12.204 1.00 12.20 N ANISOU 578 ND1 HIS A 91 1795 2268 569 443 -73 617 N ATOM 579 CD2 HIS A 91 19.130 2.289 -10.992 1.00 10.53 C ANISOU 579 CD2 HIS A 91 1586 2173 242 180 -229 24 C ATOM 580 CE1 HIS A 91 18.882 3.000 -12.982 1.00 13.49 C ANISOU 580 CE1 HIS A 91 2025 2217 883 235 190 359 C ATOM 581 NE2 HIS A 91 19.183 1.933 -12.319 1.00 12.39 N ANISOU 581 NE2 HIS A 91 1735 2798 174 -6 66 106 N ATOM 0 H HIS A 91 19.084 5.874 -7.719 1.00 10.28 H new ATOM 0 HA HIS A 91 20.619 5.022 -9.689 1.00 10.11 H new ATOM 0 HB2 HIS A 91 18.588 3.922 -8.923 1.00 11.26 H new ATOM 0 HB3 HIS A 91 17.783 4.944 -9.782 1.00 11.26 H new ATOM 0 HD2 HIS A 91 19.342 1.738 -10.273 1.00 10.53 H new ATOM 0 HE1 HIS A 91 18.905 3.055 -13.910 1.00 13.49 H new ATOM 0 HE2 HIS A 91 19.377 1.159 -12.641 1.00 12.39 H new ATOM 582 N PRO A 92 20.486 6.486 -11.736 1.00 13.33 N ANISOU 582 N PRO A 92 2246 2620 196 283 91 413 N ATOM 583 CA PRO A 92 20.479 7.565 -12.738 1.00 13.90 C ANISOU 583 CA PRO A 92 1889 2717 675 389 99 782 C ATOM 584 C PRO A 92 19.233 7.624 -13.591 1.00 13.10 C ANISOU 584 C PRO A 92 1997 2739 239 251 153 529 C ATOM 585 O PRO A 92 19.040 8.636 -14.243 1.00 15.92 O ANISOU 585 O PRO A 92 2646 2612 790 -26 -346 738 O ATOM 586 CB PRO A 92 21.734 7.274 -13.546 1.00 20.01 C ANISOU 586 CB PRO A 92 2383 3689 1529 778 597 673 C ATOM 587 CG PRO A 92 22.105 5.976 -13.292 1.00 16.46 C ANISOU 587 CG PRO A 92 2352 3278 621 264 803 193 C ATOM 588 CD PRO A 92 21.604 5.542 -11.937 1.00 13.83 C ANISOU 588 CD PRO A 92 1910 2908 436 -22 182 398 C ATOM 0 HA PRO A 92 20.474 8.443 -12.326 1.00 13.90 H new ATOM 0 HB2 PRO A 92 21.566 7.400 -14.493 1.00 20.01 H new ATOM 0 HB3 PRO A 92 22.446 7.885 -13.300 1.00 20.01 H new ATOM 0 HG2 PRO A 92 21.747 5.391 -13.978 1.00 16.46 H new ATOM 0 HG3 PRO A 92 23.071 5.897 -13.327 1.00 16.46 H new ATOM 0 HD2 PRO A 92 21.309 4.618 -11.933 1.00 13.83 H new ATOM 0 HD3 PRO A 92 22.284 5.626 -11.250 1.00 13.83 H new ATOM 589 N ASP A 93 18.410 6.589 -13.640 1.00 12.50 N ANISOU 589 N ASP A 93 2058 2521 170 331 162 291 N ATOM 590 CA ASP A 93 17.162 6.611 -14.392 1.00 13.64 C ANISOU 590 CA ASP A 93 1874 2537 769 592 -56 301 C ATOM 591 C ASP A 93 15.967 6.996 -13.609 1.00 13.72 C ANISOU 591 C ASP A 93 2050 2704 456 610 50 80 C ATOM 592 O ASP A 93 14.876 7.076 -14.088 1.00 17.20 O ANISOU 592 O ASP A 93 2263 3613 657 835 -65 -115 O ATOM 593 CB ASP A 93 16.960 5.300 -15.118 1.00 13.73 C ANISOU 593 CB ASP A 93 2057 2522 636 619 63 19 C ATOM 594 CG ASP A 93 18.019 4.961 -16.159 1.00 13.63 C ANISOU 594 CG ASP A 93 2126 2540 512 490 -195 -60 C ATOM 595 OD1 ASP A 93 18.158 5.747 -17.112 1.00 15.79 O ANISOU 595 OD1 ASP A 93 2723 2853 421 286 207 205 O ATOM 596 OD2 ASP A 93 18.700 3.941 -16.038 1.00 17.80 O ANISOU 596 OD2 ASP A 93 3460 2940 360 1052 401 413 O ATOM 0 H ASP A 93 18.560 5.846 -13.234 1.00 12.50 H new ATOM 0 HA ASP A 93 17.259 7.325 -15.041 1.00 13.64 H new ATOM 0 HB2 ASP A 93 16.932 4.586 -14.463 1.00 13.73 H new ATOM 0 HB3 ASP A 93 16.094 5.319 -15.554 1.00 13.73 H new ATOM 597 N SER A 94 16.133 7.209 -12.261 1.00 12.72 N ANISOU 597 N SER A 94 2148 2292 392 461 276 198 N ATOM 598 CA SER A 94 15.023 7.628 -11.399 1.00 13.87 C ANISOU 598 CA SER A 94 2072 2566 632 445 176 -5 C ATOM 599 C SER A 94 14.637 9.007 -11.725 1.00 16.10 C ANISOU 599 C SER A 94 2834 2548 734 297 -303 98 C ATOM 600 O SER A 94 15.481 9.839 -12.221 1.00 17.36 O ANISOU 600 O SER A 94 3144 2087 1365 349 81 182 O ATOM 601 CB SER A 94 15.380 7.480 -9.939 1.00 14.78 C ANISOU 601 CB SER A 94 2388 2577 649 597 45 70 C ATOM 602 OG SER A 94 16.429 8.288 -9.541 1.00 15.21 O ANISOU 602 OG SER A 94 2344 2755 677 574 234 97 O ATOM 0 H SER A 94 16.882 7.111 -11.850 1.00 12.72 H new ATOM 0 HA SER A 94 14.262 7.049 -11.563 1.00 13.87 H new ATOM 0 HB2 SER A 94 14.600 7.687 -9.401 1.00 14.78 H new ATOM 0 HB3 SER A 94 15.610 6.554 -9.762 1.00 14.78 H new ATOM 0 HG SER A 94 17.144 8.005 -9.878 1.00 15.21 H new ATOM 603 N GLN A 95 13.368 9.292 -11.481 1.00 19.34 N ANISOU 603 N GLN A 95 3102 2731 1512 449 24 185 N ATOM 604 CA GLN A 95 12.743 10.564 -11.756 1.00 19.57 C ANISOU 604 CA GLN A 95 3314 2652 1467 350 -106 -298 C ATOM 605 C GLN A 95 11.814 10.969 -10.685 1.00 17.25 C ANISOU 605 C GLN A 95 2691 2239 1623 624 -164 308 C ATOM 606 O GLN A 95 11.117 10.085 -10.150 1.00 18.47 O ANISOU 606 O GLN A 95 2720 2359 1935 442 11 -14 O ATOM 607 CB GLN A 95 11.964 10.534 -13.106 1.00 22.71 C ANISOU 607 CB GLN A 95 3931 2768 1927 1138 -461 -660 C ATOM 608 CG GLN A 95 12.873 10.303 -14.301 1.00 28.04 C ANISOU 608 CG GLN A 95 4095 4293 2266 1465 -186 135 C ATOM 609 CD GLN A 95 12.031 10.350 -15.576 1.00 26.67 C ANISOU 609 CD GLN A 95 4295 3518 2319 1636 -406 567 C ATOM 610 OE1 GLN A 95 12.074 11.291 -16.272 1.00 53.00 O ANISOU 610 OE1 GLN A 95 8094 5418 6624 281 -1699 3222 O ATOM 611 NE2 GLN A 95 11.193 9.350 -15.776 1.00 35.54 N ANISOU 611 NE2 GLN A 95 6494 5015 1994 707 -2007 -574 N ATOM 0 H GLN A 95 12.826 8.721 -11.135 1.00 19.34 H new ATOM 0 HA GLN A 95 13.464 11.211 -11.809 1.00 19.57 H new ATOM 0 HB2 GLN A 95 11.294 9.833 -13.073 1.00 22.71 H new ATOM 0 HB3 GLN A 95 11.491 11.373 -13.221 1.00 22.71 H new ATOM 0 HG2 GLN A 95 13.567 10.980 -14.331 1.00 28.04 H new ATOM 0 HG3 GLN A 95 13.318 9.445 -14.224 1.00 28.04 H new ATOM 0 HE21 GLN A 95 11.192 8.676 -15.242 1.00 35.54 H new ATOM 0 HE22 GLN A 95 10.648 9.372 -16.441 1.00 35.54 H new ATOM 612 N PRO A 96 11.594 12.229 -10.485 1.00 21.70 N ANISOU 612 N PRO A 96 2981 2552 2711 26 -35 -144 N ATOM 613 CA PRO A 96 10.583 12.668 -9.459 1.00 24.40 C ANISOU 613 CA PRO A 96 3069 2877 3325 1049 -53 -609 C ATOM 614 C PRO A 96 9.260 12.206 -9.982 1.00 26.48 C ANISOU 614 C PRO A 96 2474 3141 4444 809 408 102 C ATOM 615 O PRO A 96 9.029 12.278 -11.178 1.00 38.85 O ANISOU 615 O PRO A 96 4209 6177 4374 383 -1719 1342 O ATOM 616 CB PRO A 96 10.627 14.182 -9.536 1.00 28.25 C ANISOU 616 CB PRO A 96 3444 2982 4306 1073 1095 -49 C ATOM 617 CG PRO A 96 11.934 14.516 -10.091 1.00 31.11 C ANISOU 617 CG PRO A 96 3217 3118 5484 -565 524 -823 C ATOM 618 CD PRO A 96 12.465 13.326 -10.898 1.00 27.45 C ANISOU 618 CD PRO A 96 3170 2595 4662 375 1185 429 C ATOM 0 HA PRO A 96 10.736 12.337 -8.560 1.00 24.40 H new ATOM 0 HB2 PRO A 96 9.913 14.522 -10.098 1.00 28.25 H new ATOM 0 HB3 PRO A 96 10.510 14.578 -8.658 1.00 28.25 H new ATOM 0 HG2 PRO A 96 11.865 15.299 -10.659 1.00 31.11 H new ATOM 0 HG3 PRO A 96 12.552 14.737 -9.377 1.00 31.11 H new ATOM 0 HD2 PRO A 96 12.410 13.487 -11.853 1.00 27.45 H new ATOM 0 HD3 PRO A 96 13.395 13.141 -10.695 1.00 27.45 H new ATOM 619 N ASP A 97 8.318 11.760 -9.247 1.00 34.18 N ANISOU 619 N ASP A 97 3208 3139 6637 857 1217 348 N ATOM 620 CA ASP A 97 7.020 11.574 -10.155 1.00 36.54 C ANISOU 620 CA ASP A 97 4363 3485 6035 1979 -578 764 C ATOM 621 C ASP A 97 6.918 10.238 -10.860 1.00 31.36 C ANISOU 621 C ASP A 97 3066 3802 5046 1203 -1134 88 C ATOM 622 O ASP A 97 5.860 9.949 -11.374 1.00 34.33 O ANISOU 622 O ASP A 97 3223 4032 5786 833 -1585 1138 O ATOM 623 CB ASP A 97 6.634 12.698 -11.249 1.00 25.87 C ANISOU 623 CB ASP A 97 2695 3410 3723 556 -644 145 C ATOM 624 CG ASP A 97 6.209 14.013 -10.608 1.00 34.39 C ANISOU 624 CG ASP A 97 3472 4088 5504 1624 -283 -41 C ATOM 625 OD1 ASP A 97 6.153 14.057 -9.366 1.00 48.99 O ANISOU 625 OD1 ASP A 97 7691 5727 5194 1012 -429 896 O ATOM 626 OD2 ASP A 97 5.959 15.001 -11.351 1.00 49.14 O ANISOU 626 OD2 ASP A 97 6508 6225 5937 2289 983 1433 O ATOM 0 H ASP A 97 8.301 11.568 -8.409 1.00 34.18 H new ATOM 0 HA ASP A 97 6.380 11.662 -9.432 1.00 36.54 H new ATOM 0 HB2 ASP A 97 7.395 12.855 -11.829 1.00 25.87 H new ATOM 0 HB3 ASP A 97 5.914 12.367 -11.809 1.00 25.87 H new ATOM 627 N THR A 98 7.937 9.391 -10.792 1.00 24.05 N ANISOU 627 N THR A 98 3260 3124 2753 913 -684 -328 N ATOM 628 CA THR A 98 7.724 8.027 -11.065 1.00 22.62 C ANISOU 628 CA THR A 98 2798 2544 3253 777 -580 220 C ATOM 629 C THR A 98 8.226 7.162 -9.920 1.00 18.87 C ANISOU 629 C THR A 98 2067 2924 2179 603 -292 -245 C ATOM 630 O THR A 98 9.017 7.602 -9.130 1.00 19.21 O ANISOU 630 O THR A 98 2734 2752 1811 359 -167 340 O ATOM 631 CB THR A 98 8.447 7.507 -12.360 1.00 22.70 C ANISOU 631 CB THR A 98 2855 3119 2648 592 -932 250 C ATOM 632 OG1 THR A 98 9.782 7.278 -12.058 1.00 24.58 O ANISOU 632 OG1 THR A 98 3165 3878 2293 782 -679 -235 O ATOM 633 CG2 THR A 98 8.213 8.357 -13.679 1.00 26.22 C ANISOU 633 CG2 THR A 98 3846 3411 2704 969 -1212 401 C ATOM 0 H THR A 98 8.745 9.605 -10.589 1.00 24.05 H new ATOM 0 HA THR A 98 6.765 7.956 -11.190 1.00 22.62 H new ATOM 0 HB THR A 98 8.024 6.671 -12.611 1.00 22.70 H new ATOM 0 HG1 THR A 98 10.061 7.882 -11.546 1.00 24.58 H new ATOM 0 HG21 THR A 98 8.700 7.954 -14.415 1.00 26.22 H new ATOM 0 HG22 THR A 98 7.266 8.375 -13.889 1.00 26.22 H new ATOM 0 HG23 THR A 98 8.530 9.263 -13.541 1.00 26.22 H new ATOM 634 N ILE A 99 7.825 5.903 -9.809 1.00 21.40 N ANISOU 634 N ILE A 99 2047 2939 3144 550 -570 44 N ATOM 635 CA ILE A 99 8.530 5.020 -8.796 1.00 20.76 C ANISOU 635 CA ILE A 99 3354 1949 2584 279 23 145 C ATOM 636 C ILE A 99 9.362 3.992 -9.540 1.00 17.53 C ANISOU 636 C ILE A 99 1900 2890 1867 522 -183 279 C ATOM 637 O ILE A 99 9.640 2.930 -8.951 1.00 17.46 O ANISOU 637 O ILE A 99 2455 2791 1385 660 -330 -121 O ATOM 638 CB ILE A 99 7.590 4.308 -7.798 1.00 21.86 C ANISOU 638 CB ILE A 99 3028 2651 2627 212 -476 11 C ATOM 639 CG1 ILE A 99 6.594 3.552 -8.643 1.00 22.73 C ANISOU 639 CG1 ILE A 99 2448 3464 2722 44 -662 -34 C ATOM 640 CG2 ILE A 99 7.047 5.325 -6.756 1.00 27.80 C ANISOU 640 CG2 ILE A 99 4379 2856 3327 87 471 -403 C ATOM 641 CD1 ILE A 99 6.027 2.426 -7.799 1.00 31.25 C ANISOU 641 CD1 ILE A 99 3267 5109 3495 -1208 474 428 C ATOM 0 H ILE A 99 7.195 5.533 -10.262 1.00 21.40 H new ATOM 0 HA ILE A 99 9.083 5.607 -8.257 1.00 20.76 H new ATOM 0 HB ILE A 99 8.018 3.652 -7.226 1.00 21.86 H new ATOM 0 HG12 ILE A 99 5.885 4.142 -8.942 1.00 22.73 H new ATOM 0 HG13 ILE A 99 7.023 3.198 -9.438 1.00 22.73 H new ATOM 0 HG21 ILE A 99 6.458 4.869 -6.135 1.00 27.80 H new ATOM 0 HG22 ILE A 99 7.789 5.717 -6.269 1.00 27.80 H new ATOM 0 HG23 ILE A 99 6.554 6.025 -7.213 1.00 27.80 H new ATOM 0 HD11 ILE A 99 5.382 1.923 -8.321 1.00 31.25 H new ATOM 0 HD12 ILE A 99 6.746 1.837 -7.520 1.00 31.25 H new ATOM 0 HD13 ILE A 99 5.590 2.796 -7.016 1.00 31.25 H new ATOM 642 N ASP A 100 9.705 4.264 -10.866 1.00 17.92 N ANISOU 642 N ASP A 100 2245 3152 1411 711 -639 214 N ATOM 643 CA ASP A 100 10.625 3.307 -11.527 1.00 15.86 C ANISOU 643 CA ASP A 100 2031 3073 922 164 -535 368 C ATOM 644 C ASP A 100 12.059 3.563 -11.028 1.00 13.34 C ANISOU 644 C ASP A 100 1545 3042 480 444 289 374 C ATOM 645 O ASP A 100 12.440 4.754 -10.790 1.00 16.10 O ANISOU 645 O ASP A 100 2002 3037 1075 158 -161 190 O ATOM 646 CB ASP A 100 10.483 3.494 -13.035 1.00 18.11 C ANISOU 646 CB ASP A 100 2508 3392 980 595 -1011 -29 C ATOM 647 CG ASP A 100 9.091 3.094 -13.519 1.00 22.90 C ANISOU 647 CG ASP A 100 2753 3620 2325 150 -1140 -364 C ATOM 648 OD1 ASP A 100 8.515 2.059 -13.154 1.00 23.99 O ANISOU 648 OD1 ASP A 100 3111 3498 2503 164 -1266 -120 O ATOM 649 OD2 ASP A 100 8.516 3.930 -14.143 1.00 28.87 O ANISOU 649 OD2 ASP A 100 3341 4224 3403 -223 -1336 993 O ATOM 0 H ASP A 100 9.436 4.931 -11.337 1.00 17.92 H new ATOM 0 HA ASP A 100 10.410 2.386 -11.312 1.00 15.86 H new ATOM 0 HB2 ASP A 100 10.653 4.421 -13.265 1.00 18.11 H new ATOM 0 HB3 ASP A 100 11.152 2.961 -13.493 1.00 18.11 H new ATOM 650 N HIS A 101 12.844 2.544 -11.020 1.00 12.66 N ANISOU 650 N HIS A 101 1611 2469 729 202 -328 -68 N ATOM 651 CA HIS A 101 14.250 2.687 -10.694 1.00 12.18 C ANISOU 651 CA HIS A 101 1667 2563 395 195 -169 34 C ATOM 652 C HIS A 101 14.513 3.398 -9.314 1.00 11.56 C ANISOU 652 C HIS A 101 1338 2664 390 -194 -325 130 C ATOM 653 O HIS A 101 15.454 4.173 -9.174 1.00 11.56 O ANISOU 653 O HIS A 101 1438 2438 517 -161 -58 222 O ATOM 654 CB HIS A 101 14.982 3.355 -11.832 1.00 12.75 C ANISOU 654 CB HIS A 101 1992 2375 475 -89 -96 39 C ATOM 655 CG HIS A 101 14.476 3.022 -13.175 1.00 14.68 C ANISOU 655 CG HIS A 101 1921 3166 488 604 -319 -102 C ATOM 656 ND1 HIS A 101 14.404 1.697 -13.580 1.00 18.03 N ANISOU 656 ND1 HIS A 101 2948 3546 356 741 -238 -210 N ATOM 657 CD2 HIS A 101 13.910 3.802 -14.164 1.00 16.59 C ANISOU 657 CD2 HIS A 101 2568 3049 684 644 -210 246 C ATOM 658 CE1 HIS A 101 13.866 1.706 -14.823 1.00 21.47 C ANISOU 658 CE1 HIS A 101 3593 4100 462 1032 -451 -528 C ATOM 659 NE2 HIS A 101 13.533 2.940 -15.159 1.00 20.29 N ANISOU 659 NE2 HIS A 101 2962 3870 876 758 -103 -517 N ATOM 0 H HIS A 101 12.597 1.740 -11.201 1.00 12.66 H new ATOM 0 HA HIS A 101 14.607 1.792 -10.579 1.00 12.18 H new ATOM 0 HB2 HIS A 101 14.933 4.316 -11.711 1.00 12.75 H new ATOM 0 HB3 HIS A 101 15.920 3.111 -11.784 1.00 12.75 H new ATOM 0 HD2 HIS A 101 13.806 4.726 -14.156 1.00 16.59 H new ATOM 0 HE1 HIS A 101 13.748 0.956 -15.360 1.00 21.47 H new ATOM 0 HE2 HIS A 101 13.140 3.167 -15.890 1.00 20.29 H new ATOM 660 N ASP A 102 13.590 3.098 -8.340 1.00 11.71 N ANISOU 660 N ASP A 102 1415 2162 871 -162 -133 133 N ATOM 661 CA ASP A 102 13.583 3.850 -7.123 1.00 10.82 C ANISOU 661 CA ASP A 102 1242 1996 871 204 -360 -121 C ATOM 662 C ASP A 102 14.575 3.334 -6.131 1.00 10.09 C ANISOU 662 C ASP A 102 1310 1967 553 241 -72 301 C ATOM 663 O ASP A 102 14.201 2.976 -4.990 1.00 11.18 O ANISOU 663 O ASP A 102 1473 2433 341 182 73 85 O ATOM 664 CB ASP A 102 12.195 3.854 -6.575 1.00 12.04 C ANISOU 664 CB ASP A 102 1321 2247 1003 321 -312 387 C ATOM 665 CG ASP A 102 11.998 4.921 -5.465 1.00 13.09 C ANISOU 665 CG ASP A 102 1572 2263 1135 338 -48 401 C ATOM 666 OD1 ASP A 102 12.791 5.841 -5.323 1.00 14.52 O ANISOU 666 OD1 ASP A 102 2013 2500 1004 380 184 -219 O ATOM 667 OD2 ASP A 102 10.947 4.793 -4.774 1.00 16.16 O ANISOU 667 OD2 ASP A 102 2039 2773 1325 288 393 82 O ATOM 0 H ASP A 102 12.996 2.479 -8.396 1.00 11.71 H new ATOM 0 HA ASP A 102 13.857 4.761 -7.312 1.00 10.82 H new ATOM 0 HB2 ASP A 102 11.567 4.021 -7.295 1.00 12.04 H new ATOM 0 HB3 ASP A 102 11.989 2.977 -6.216 1.00 12.04 H new ATOM 668 N LEU A 103 15.856 3.350 -6.420 1.00 8.93 N ANISOU 668 N LEU A 103 1219 1905 268 32 -64 94 N ATOM 669 CA LEU A 103 16.942 2.903 -5.585 1.00 8.77 C ANISOU 669 CA LEU A 103 1156 1838 335 40 -61 103 C ATOM 670 C LEU A 103 17.948 3.983 -5.363 1.00 7.83 C ANISOU 670 C LEU A 103 1123 1685 166 130 -9 119 C ATOM 671 O LEU A 103 18.204 4.878 -6.214 1.00 9.32 O ANISOU 671 O LEU A 103 1342 1866 333 -81 204 215 O ATOM 672 CB LEU A 103 17.581 1.698 -6.155 1.00 9.58 C ANISOU 672 CB LEU A 103 1430 1831 379 89 -224 1 C ATOM 673 CG LEU A 103 16.775 0.462 -6.334 1.00 10.03 C ANISOU 673 CG LEU A 103 1682 1952 173 81 7 -58 C ATOM 674 CD1 LEU A 103 17.558 -0.674 -6.962 1.00 11.66 C ANISOU 674 CD1 LEU A 103 1888 1915 627 -15 -32 -396 C ATOM 675 CD2 LEU A 103 16.213 -0.012 -4.993 1.00 9.27 C ANISOU 675 CD2 LEU A 103 1395 1738 389 61 30 -86 C ATOM 0 H LEU A 103 16.137 3.649 -7.176 1.00 8.93 H new ATOM 0 HA LEU A 103 16.568 2.671 -4.720 1.00 8.77 H new ATOM 0 HB2 LEU A 103 17.939 1.941 -7.023 1.00 9.58 H new ATOM 0 HB3 LEU A 103 18.337 1.474 -5.590 1.00 9.58 H new ATOM 0 HG LEU A 103 16.056 0.699 -6.940 1.00 10.03 H new ATOM 0 HD11 LEU A 103 16.984 -1.451 -7.054 1.00 11.66 H new ATOM 0 HD12 LEU A 103 17.877 -0.403 -7.837 1.00 11.66 H new ATOM 0 HD13 LEU A 103 18.315 -0.897 -6.397 1.00 11.66 H new ATOM 0 HD21 LEU A 103 15.691 -0.818 -5.128 1.00 9.27 H new ATOM 0 HD22 LEU A 103 16.944 -0.199 -4.383 1.00 9.27 H new ATOM 0 HD23 LEU A 103 15.647 0.680 -4.616 1.00 9.27 H new ATOM 676 N LEU A 104 18.644 3.932 -4.190 1.00 8.36 N ANISOU 676 N LEU A 104 1045 1836 294 117 -83 -2 N ATOM 677 CA LEU A 104 19.638 4.862 -3.728 1.00 8.80 C ANISOU 677 CA LEU A 104 1072 1927 344 -4 73 111 C ATOM 678 C LEU A 104 20.738 4.073 -3.000 1.00 7.76 C ANISOU 678 C LEU A 104 1145 1496 307 -154 -109 -24 C ATOM 679 O LEU A 104 20.382 3.243 -2.123 1.00 9.19 O ANISOU 679 O LEU A 104 1147 2009 333 -83 199 91 O ATOM 680 CB LEU A 104 18.966 5.818 -2.665 1.00 11.17 C ANISOU 680 CB LEU A 104 1434 1980 830 -28 210 24 C ATOM 681 CG LEU A 104 19.894 6.782 -1.918 1.00 10.62 C ANISOU 681 CG LEU A 104 1490 1856 688 -39 261 34 C ATOM 682 CD1 LEU A 104 20.516 7.727 -2.884 1.00 10.61 C ANISOU 682 CD1 LEU A 104 1563 1730 738 -186 -39 111 C ATOM 683 CD2 LEU A 104 19.051 7.504 -0.938 1.00 11.82 C ANISOU 683 CD2 LEU A 104 1842 1953 697 -80 216 37 C ATOM 0 H LEU A 104 18.516 3.296 -3.625 1.00 8.36 H new ATOM 0 HA LEU A 104 20.001 5.364 -4.474 1.00 8.80 H new ATOM 0 HB2 LEU A 104 18.286 6.342 -3.117 1.00 11.17 H new ATOM 0 HB3 LEU A 104 18.510 5.268 -2.009 1.00 11.17 H new ATOM 0 HG LEU A 104 20.613 6.313 -1.467 1.00 10.62 H new ATOM 0 HD11 LEU A 104 21.103 8.336 -2.409 1.00 10.61 H new ATOM 0 HD12 LEU A 104 21.029 7.229 -3.539 1.00 10.61 H new ATOM 0 HD13 LEU A 104 19.822 8.233 -3.335 1.00 10.61 H new ATOM 0 HD21 LEU A 104 19.599 8.129 -0.438 1.00 11.82 H new ATOM 0 HD22 LEU A 104 18.353 7.988 -1.406 1.00 11.82 H new ATOM 0 HD23 LEU A 104 18.648 6.868 -0.327 1.00 11.82 H new ATOM 684 N LEU A 105 21.974 4.345 -3.313 1.00 8.33 N ANISOU 684 N LEU A 105 1072 1814 279 -40 -77 -6 N ATOM 685 CA LEU A 105 23.074 3.750 -2.598 1.00 8.01 C ANISOU 685 CA LEU A 105 1057 1573 413 -55 218 25 C ATOM 686 C LEU A 105 23.812 4.825 -1.863 1.00 8.53 C ANISOU 686 C LEU A 105 1025 1760 457 -218 -147 254 C ATOM 687 O LEU A 105 24.167 5.875 -2.419 1.00 10.24 O ANISOU 687 O LEU A 105 1693 1878 317 -263 61 48 O ATOM 688 CB LEU A 105 23.991 2.938 -3.505 1.00 8.24 C ANISOU 688 CB LEU A 105 994 1686 448 -79 214 44 C ATOM 689 CG LEU A 105 23.500 1.516 -3.714 1.00 8.93 C ANISOU 689 CG LEU A 105 1178 1837 376 67 187 -62 C ATOM 690 CD1 LEU A 105 24.170 0.824 -4.892 1.00 9.53 C ANISOU 690 CD1 LEU A 105 1349 1772 499 -2 132 -183 C ATOM 691 CD2 LEU A 105 23.727 0.623 -2.479 1.00 10.02 C ANISOU 691 CD2 LEU A 105 1396 1882 528 -101 133 42 C ATOM 0 H LEU A 105 22.205 4.880 -3.946 1.00 8.33 H new ATOM 0 HA LEU A 105 22.721 3.112 -1.958 1.00 8.01 H new ATOM 0 HB2 LEU A 105 24.064 3.381 -4.365 1.00 8.24 H new ATOM 0 HB3 LEU A 105 24.882 2.915 -3.121 1.00 8.24 H new ATOM 0 HG LEU A 105 22.551 1.618 -3.886 1.00 8.93 H new ATOM 0 HD11 LEU A 105 23.821 -0.077 -4.980 1.00 9.53 H new ATOM 0 HD12 LEU A 105 23.989 1.321 -5.705 1.00 9.53 H new ATOM 0 HD13 LEU A 105 25.128 0.786 -4.743 1.00 9.53 H new ATOM 0 HD21 LEU A 105 23.398 -0.271 -2.661 1.00 10.02 H new ATOM 0 HD22 LEU A 105 24.675 0.584 -2.278 1.00 10.02 H new ATOM 0 HD23 LEU A 105 23.251 0.994 -1.720 1.00 10.02 H new ATOM 692 N LEU A 106 24.043 4.570 -0.550 1.00 9.01 N ANISOU 692 N LEU A 106 1255 1807 361 -87 -65 111 N ATOM 693 CA LEU A 106 24.747 5.537 0.304 1.00 8.96 C ANISOU 693 CA LEU A 106 1137 1700 565 -65 89 17 C ATOM 694 C LEU A 106 26.065 4.906 0.791 1.00 9.35 C ANISOU 694 C LEU A 106 1195 1709 649 -108 -63 -184 C ATOM 695 O LEU A 106 26.082 3.837 1.374 1.00 10.20 O ANISOU 695 O LEU A 106 1406 1910 556 -63 -55 94 O ATOM 696 CB LEU A 106 23.883 5.879 1.542 1.00 9.54 C ANISOU 696 CB LEU A 106 1208 1857 559 -111 -1 -96 C ATOM 697 CG LEU A 106 22.538 6.422 1.232 1.00 9.41 C ANISOU 697 CG LEU A 106 1292 1857 425 -58 46 -49 C ATOM 698 CD1 LEU A 106 21.669 6.425 2.496 1.00 13.31 C ANISOU 698 CD1 LEU A 106 1843 2693 518 234 277 110 C ATOM 699 CD2 LEU A 106 22.581 7.741 0.543 1.00 14.01 C ANISOU 699 CD2 LEU A 106 1685 2243 1393 79 -17 217 C ATOM 0 H LEU A 106 23.800 3.849 -0.149 1.00 9.01 H new ATOM 0 HA LEU A 106 24.920 6.344 -0.206 1.00 8.96 H new ATOM 0 HB2 LEU A 106 23.778 5.078 2.079 1.00 9.54 H new ATOM 0 HB3 LEU A 106 24.361 6.525 2.086 1.00 9.54 H new ATOM 0 HG LEU A 106 22.120 5.831 0.586 1.00 9.41 H new ATOM 0 HD11 LEU A 106 20.792 6.781 2.285 1.00 13.31 H new ATOM 0 HD12 LEU A 106 21.578 5.518 2.828 1.00 13.31 H new ATOM 0 HD13 LEU A 106 22.087 6.977 3.175 1.00 13.31 H new ATOM 0 HD21 LEU A 106 21.677 8.044 0.367 1.00 14.01 H new ATOM 0 HD22 LEU A 106 23.034 8.387 1.108 1.00 14.01 H new ATOM 0 HD23 LEU A 106 23.061 7.653 -0.295 1.00 14.01 H new ATOM 700 N GLN A 107 27.167 5.603 0.443 1.00 9.25 N ANISOU 700 N GLN A 107 1155 2066 293 -245 -162 12 N ATOM 701 CA GLN A 107 28.453 5.182 0.836 1.00 10.16 C ANISOU 701 CA GLN A 107 1117 2197 546 -388 -237 0 C ATOM 702 C GLN A 107 28.748 5.852 2.183 1.00 10.64 C ANISOU 702 C GLN A 107 1320 2087 635 -84 -158 83 C ATOM 703 O GLN A 107 28.807 7.057 2.304 1.00 11.49 O ANISOU 703 O GLN A 107 1679 2074 611 -349 -55 86 O ATOM 704 CB GLN A 107 29.549 5.594 -0.106 1.00 12.77 C ANISOU 704 CB GLN A 107 1354 2512 986 -461 170 -172 C ATOM 705 CG GLN A 107 30.903 4.970 0.182 1.00 13.60 C ANISOU 705 CG GLN A 107 1362 2721 1085 -283 -125 -31 C ATOM 706 CD GLN A 107 31.986 5.388 -0.767 1.00 18.54 C ANISOU 706 CD GLN A 107 1424 4304 1316 -211 -390 921 C ATOM 707 OE1 GLN A 107 31.765 6.337 -1.530 1.00 23.43 O ANISOU 707 OE1 GLN A 107 1939 4787 2174 75 612 1285 O ATOM 708 NE2 GLN A 107 33.105 4.734 -0.743 1.00 25.50 N ANISOU 708 NE2 GLN A 107 1542 6174 1971 369 127 1060 N ATOM 0 H GLN A 107 27.154 6.324 -0.025 1.00 9.25 H new ATOM 0 HA GLN A 107 28.444 4.212 0.862 1.00 10.16 H new ATOM 0 HB2 GLN A 107 29.286 5.362 -1.010 1.00 12.77 H new ATOM 0 HB3 GLN A 107 29.639 6.559 -0.076 1.00 12.77 H new ATOM 0 HG2 GLN A 107 31.170 5.203 1.085 1.00 13.60 H new ATOM 0 HG3 GLN A 107 30.816 4.004 0.153 1.00 13.60 H new ATOM 0 HE21 GLN A 107 33.210 4.081 -0.193 1.00 25.50 H new ATOM 0 HE22 GLN A 107 33.743 4.953 -1.277 1.00 25.50 H new ATOM 709 N LEU A 108 28.962 4.998 3.210 1.00 10.14 N ANISOU 709 N LEU A 108 1313 1872 667 -31 -166 25 N ATOM 710 CA LEU A 108 29.288 5.507 4.565 1.00 10.32 C ANISOU 710 CA LEU A 108 1542 1839 537 -217 -72 8 C ATOM 711 C LEU A 108 30.634 6.081 4.578 1.00 11.53 C ANISOU 711 C LEU A 108 1732 1633 1015 -244 -267 -89 C ATOM 712 O LEU A 108 31.519 5.726 3.799 1.00 12.09 O ANISOU 712 O LEU A 108 1572 2303 716 -277 -228 -68 O ATOM 713 CB LEU A 108 29.186 4.347 5.566 1.00 10.70 C ANISOU 713 CB LEU A 108 1795 1571 698 -102 41 -96 C ATOM 714 CG LEU A 108 27.864 3.629 5.566 1.00 12.03 C ANISOU 714 CG LEU A 108 1884 1918 768 -250 125 -85 C ATOM 715 CD1 LEU A 108 27.961 2.469 6.554 1.00 13.81 C ANISOU 715 CD1 LEU A 108 1994 2416 835 -584 69 51 C ATOM 716 CD2 LEU A 108 26.656 4.510 5.773 1.00 14.51 C ANISOU 716 CD2 LEU A 108 2002 2161 1347 -287 363 -295 C ATOM 0 H LEU A 108 28.924 4.141 3.145 1.00 10.14 H new ATOM 0 HA LEU A 108 28.662 6.205 4.814 1.00 10.32 H new ATOM 0 HB2 LEU A 108 29.888 3.706 5.372 1.00 10.70 H new ATOM 0 HB3 LEU A 108 29.354 4.690 6.458 1.00 10.70 H new ATOM 0 HG LEU A 108 27.702 3.286 4.673 1.00 12.03 H new ATOM 0 HD11 LEU A 108 27.119 1.988 6.573 1.00 13.81 H new ATOM 0 HD12 LEU A 108 28.670 1.867 6.278 1.00 13.81 H new ATOM 0 HD13 LEU A 108 28.156 2.813 7.440 1.00 13.81 H new ATOM 0 HD21 LEU A 108 25.853 3.967 5.759 1.00 14.51 H new ATOM 0 HD22 LEU A 108 26.726 4.960 6.630 1.00 14.51 H new ATOM 0 HD23 LEU A 108 26.612 5.171 5.064 1.00 14.51 H new ATOM 717 N SER A 109 30.858 6.932 5.574 1.00 11.43 N ANISOU 717 N SER A 109 1777 1860 705 -383 -390 -142 N ATOM 718 CA ASER A 109 32.187 7.630 5.765 0.50 13.87 C ANISOU 718 CA ASER A 109 1889 2215 1163 -338 -755 26 C ATOM 719 CA BSER A 109 32.216 7.592 5.611 0.50 14.24 C ANISOU 719 CA BSER A 109 1897 2113 1399 -335 -418 93 C ATOM 720 C SER A 109 33.356 6.662 5.939 1.00 13.72 C ANISOU 720 C SER A 109 1770 2248 1193 -401 -752 5 C ATOM 721 O SER A 109 34.498 6.980 5.668 1.00 15.91 O ANISOU 721 O SER A 109 2079 2492 1474 -652 -543 579 O ATOM 722 CB ASER A 109 32.062 8.544 7.021 0.50 14.14 C ANISOU 722 CB ASER A 109 1965 1580 1825 -235 -1012 -150 C ATOM 723 CB BSER A 109 32.195 8.809 6.511 0.50 19.01 C ANISOU 723 CB BSER A 109 2339 2286 2597 -291 -484 -348 C ATOM 724 OG ASER A 109 31.839 7.760 8.168 0.50 16.23 O ANISOU 724 OG ASER A 109 2175 3159 832 -256 -332 -695 O ATOM 725 OG BSER A 109 31.487 9.805 5.819 0.50 25.02 O ANISOU 725 OG BSER A 109 3368 2848 3290 32 -34 203 O ATOM 0 H ASER A 109 30.268 7.136 6.165 0.50 11.43 H new ATOM 0 H BSER A 109 30.307 7.144 6.199 0.50 11.43 H new ATOM 0 HA ASER A 109 32.382 8.143 4.965 0.50 14.24 H new ATOM 0 HA BSER A 109 32.397 7.880 4.703 0.50 14.24 H new ATOM 0 HB2ASER A 109 32.871 9.068 7.131 0.50 19.01 H new ATOM 0 HB2BSER A 109 31.766 8.605 7.357 0.50 19.01 H new ATOM 0 HB3ASER A 109 31.332 9.171 6.902 0.50 19.01 H new ATOM 0 HB3BSER A 109 33.097 9.104 6.714 0.50 19.01 H new ATOM 0 HG ASER A 109 31.193 8.076 8.602 0.50 25.02 H new ATOM 0 HG BSER A 109 31.567 10.537 6.222 0.50 25.02 H new ATOM 726 N GLU A 110 33.062 5.538 6.511 1.00 12.28 N ANISOU 726 N GLU A 110 1438 1924 1304 -253 -269 4 N ATOM 727 CA GLU A 110 34.033 4.503 6.693 1.00 13.99 C ANISOU 727 CA GLU A 110 1469 2201 1642 -113 -351 -45 C ATOM 728 C GLU A 110 33.270 3.155 6.750 1.00 12.25 C ANISOU 728 C GLU A 110 1521 1887 1245 -13 -521 417 C ATOM 729 O GLU A 110 32.035 3.127 6.870 1.00 13.38 O ANISOU 729 O GLU A 110 1568 2208 1307 -250 -449 195 O ATOM 730 CB GLU A 110 34.917 4.713 7.953 1.00 17.40 C ANISOU 730 CB GLU A 110 2297 2888 1425 -328 -398 646 C ATOM 731 CG GLU A 110 34.166 4.723 9.198 1.00 17.26 C ANISOU 731 CG GLU A 110 3040 2670 847 -450 -537 412 C ATOM 732 CD GLU A 110 35.140 4.909 10.413 1.00 24.31 C ANISOU 732 CD GLU A 110 3499 3774 1964 -737 -1381 1034 C ATOM 733 OE1 GLU A 110 36.280 4.436 10.420 1.00 36.89 O ANISOU 733 OE1 GLU A 110 5339 5044 3633 -106 -2768 -816 O ATOM 734 OE2 GLU A 110 34.584 5.377 11.334 1.00 36.19 O ANISOU 734 OE2 GLU A 110 6315 6169 1265 -350 -1804 -662 O ATOM 0 H GLU A 110 32.280 5.345 6.812 1.00 12.28 H new ATOM 0 HA GLU A 110 34.655 4.514 5.949 1.00 13.99 H new ATOM 0 HB2 GLU A 110 35.583 4.009 7.992 1.00 17.40 H new ATOM 0 HB3 GLU A 110 35.396 5.552 7.866 1.00 17.40 H new ATOM 0 HG2 GLU A 110 33.513 5.441 9.185 1.00 17.26 H new ATOM 0 HG3 GLU A 110 33.673 3.893 9.293 1.00 17.26 H new ATOM 735 N LYS A 111 33.987 2.060 6.638 1.00 14.92 N ANISOU 735 N LYS A 111 1878 2081 1707 90 -319 63 N ATOM 736 CA LYS A 111 33.392 0.767 6.785 1.00 15.55 C ANISOU 736 CA LYS A 111 1780 2148 1981 65 -502 124 C ATOM 737 C LYS A 111 32.681 0.659 8.130 1.00 15.60 C ANISOU 737 C LYS A 111 1733 2315 1877 53 -655 8 C ATOM 738 O LYS A 111 33.196 1.126 9.188 1.00 17.00 O ANISOU 738 O LYS A 111 2178 2455 1825 -128 -973 262 O ATOM 739 CB LYS A 111 34.422 -0.333 6.589 1.00 20.88 C ANISOU 739 CB LYS A 111 2537 2683 2712 353 -8 95 C ATOM 740 CG LYS A 111 34.909 -0.491 5.138 1.00 24.96 C ANISOU 740 CG LYS A 111 3656 2830 2995 445 543 309 C ATOM 741 CD LYS A 111 35.713 -1.739 4.827 1.00 34.60 C ANISOU 741 CD LYS A 111 3546 4306 5292 1509 202 710 C ATOM 742 CE LYS A 111 36.996 -1.732 5.591 1.00 38.24 C ANISOU 742 CE LYS A 111 4783 3847 5898 881 -726 -147 C ATOM 743 NZ LYS A 111 37.998 -2.389 4.704 1.00 55.31 N ANISOU 743 NZ LYS A 111 6530 6768 7716 153 1636 -600 N ATOM 0 H LYS A 111 34.831 2.050 6.475 1.00 14.92 H new ATOM 0 HA LYS A 111 32.723 0.651 6.092 1.00 15.55 H new ATOM 0 HB2 LYS A 111 35.186 -0.151 7.158 1.00 20.88 H new ATOM 0 HB3 LYS A 111 34.042 -1.175 6.885 1.00 20.88 H new ATOM 0 HG2 LYS A 111 34.134 -0.475 4.554 1.00 24.96 H new ATOM 0 HG3 LYS A 111 35.449 0.282 4.913 1.00 24.96 H new ATOM 0 HD2 LYS A 111 35.198 -2.529 5.055 1.00 34.60 H new ATOM 0 HD3 LYS A 111 35.896 -1.785 3.876 1.00 34.60 H new ATOM 0 HE2 LYS A 111 37.266 -0.826 5.810 1.00 38.24 H new ATOM 0 HE3 LYS A 111 36.905 -2.212 6.429 1.00 38.24 H new ATOM 0 HZ1 LYS A 111 38.788 -2.412 5.114 1.00 55.31 H new ATOM 0 HZ2 LYS A 111 37.735 -3.219 4.522 1.00 55.31 H new ATOM 0 HZ3 LYS A 111 38.071 -1.929 3.946 1.00 55.31 H new ATOM 744 N ALA A 112 31.484 0.095 8.122 1.00 12.32 N ANISOU 744 N ALA A 112 1693 2407 581 114 -443 158 N ATOM 745 CA ALA A 112 30.784 -0.065 9.384 1.00 14.49 C ANISOU 745 CA ALA A 112 2044 2208 1253 231 9 292 C ATOM 746 C ALA A 112 31.448 -1.073 10.264 1.00 13.07 C ANISOU 746 C ALA A 112 1962 1960 1040 66 -100 228 C ATOM 747 O ALA A 112 31.960 -2.069 9.797 1.00 15.17 O ANISOU 747 O ALA A 112 2292 2227 1243 158 -527 400 O ATOM 748 CB ALA A 112 29.377 -0.562 9.087 1.00 15.69 C ANISOU 748 CB ALA A 112 1954 2530 1478 191 -348 486 C ATOM 0 H ALA A 112 31.071 -0.193 7.424 1.00 12.32 H new ATOM 0 HA ALA A 112 30.782 0.791 9.840 1.00 14.49 H new ATOM 0 HB1 ALA A 112 28.891 -0.676 9.919 1.00 15.69 H new ATOM 0 HB2 ALA A 112 28.916 0.085 8.530 1.00 15.69 H new ATOM 0 HB3 ALA A 112 29.425 -1.412 8.623 1.00 15.69 H new ATOM 749 N THR A 113 31.420 -0.808 11.591 1.00 16.06 N ANISOU 749 N THR A 113 2345 2528 1227 57 -453 -141 N ATOM 750 CA THR A 113 31.923 -1.774 12.567 1.00 17.30 C ANISOU 750 CA THR A 113 2167 3254 1150 -473 -894 -67 C ATOM 751 C THR A 113 30.908 -2.877 12.660 1.00 15.66 C ANISOU 751 C THR A 113 2172 2962 813 -94 -780 423 C ATOM 752 O THR A 113 29.751 -2.611 12.968 1.00 16.57 O ANISOU 752 O THR A 113 2215 3238 841 -216 -266 256 O ATOM 753 CB THR A 113 32.041 -1.058 13.922 1.00 19.39 C ANISOU 753 CB THR A 113 2747 3507 1110 -477 -1136 95 C ATOM 754 OG1 THR A 113 32.922 0.069 13.765 1.00 23.33 O ANISOU 754 OG1 THR A 113 3515 3913 1436 -912 -1331 465 O ATOM 755 CG2 THR A 113 32.552 -2.021 14.933 1.00 21.11 C ANISOU 755 CG2 THR A 113 3233 3871 915 -617 -619 578 C ATOM 0 H THR A 113 31.115 -0.080 11.932 1.00 16.06 H new ATOM 0 HA THR A 113 32.788 -2.133 12.314 1.00 17.30 H new ATOM 0 HB THR A 113 31.179 -0.734 14.227 1.00 19.39 H new ATOM 0 HG1 THR A 113 32.995 0.472 14.498 1.00 23.33 H new ATOM 0 HG21 THR A 113 32.630 -1.578 15.792 1.00 21.11 H new ATOM 0 HG22 THR A 113 31.937 -2.767 15.009 1.00 21.11 H new ATOM 0 HG23 THR A 113 33.423 -2.347 14.658 1.00 21.11 H new ATOM 756 N LEU A 114 31.274 -4.093 12.325 1.00 17.91 N ANISOU 756 N LEU A 114 2165 3006 1632 1 -595 577 N ATOM 757 CA LEU A 114 30.333 -5.237 12.342 1.00 17.06 C ANISOU 757 CA LEU A 114 2018 2906 1559 248 -152 615 C ATOM 758 C LEU A 114 30.379 -5.974 13.683 1.00 17.92 C ANISOU 758 C LEU A 114 1534 3581 1691 279 -303 948 C ATOM 759 O LEU A 114 31.350 -5.964 14.349 1.00 22.54 O ANISOU 759 O LEU A 114 2495 3996 2071 -90 -1021 719 O ATOM 760 CB LEU A 114 30.702 -6.176 11.205 1.00 18.62 C ANISOU 760 CB LEU A 114 2256 3098 1720 -45 285 322 C ATOM 761 CG LEU A 114 30.788 -5.548 9.777 1.00 18.96 C ANISOU 761 CG LEU A 114 2714 2884 1603 160 30 149 C ATOM 762 CD1 LEU A 114 30.985 -6.588 8.702 1.00 23.37 C ANISOU 762 CD1 LEU A 114 3592 3350 1936 69 -633 -297 C ATOM 763 CD2 LEU A 114 29.529 -4.680 9.484 1.00 19.60 C ANISOU 763 CD2 LEU A 114 2544 3254 1647 -64 -421 317 C ATOM 0 H LEU A 114 32.072 -4.299 12.078 1.00 17.91 H new ATOM 0 HA LEU A 114 29.427 -4.911 12.226 1.00 17.06 H new ATOM 0 HB2 LEU A 114 31.560 -6.579 11.411 1.00 18.62 H new ATOM 0 HB3 LEU A 114 30.050 -6.894 11.181 1.00 18.62 H new ATOM 0 HG LEU A 114 31.572 -4.977 9.763 1.00 18.96 H new ATOM 0 HD11 LEU A 114 31.032 -6.154 7.836 1.00 23.37 H new ATOM 0 HD12 LEU A 114 31.810 -7.071 8.866 1.00 23.37 H new ATOM 0 HD13 LEU A 114 30.240 -7.209 8.711 1.00 23.37 H new ATOM 0 HD21 LEU A 114 29.599 -4.298 8.595 1.00 19.60 H new ATOM 0 HD22 LEU A 114 28.734 -5.234 9.536 1.00 19.60 H new ATOM 0 HD23 LEU A 114 29.468 -3.966 10.138 1.00 19.60 H new ATOM 764 N GLY A 115 29.245 -6.581 13.941 1.00 16.30 N ANISOU 764 N GLY A 115 2173 2906 1111 48 -316 634 N ATOM 765 CA GLY A 115 29.073 -7.382 15.147 1.00 20.09 C ANISOU 765 CA GLY A 115 2770 3213 1650 258 -512 1145 C ATOM 766 C GLY A 115 27.703 -8.035 15.119 1.00 17.80 C ANISOU 766 C GLY A 115 2661 2891 1210 -76 -452 597 C ATOM 767 O GLY A 115 27.006 -8.022 14.146 1.00 17.14 O ANISOU 767 O GLY A 115 2591 2734 1186 2 -420 809 O ATOM 0 H GLY A 115 28.552 -6.547 13.432 1.00 16.30 H new ATOM 0 HA2 GLY A 115 29.765 -8.059 15.200 1.00 20.09 H new ATOM 0 HA3 GLY A 115 29.161 -6.823 15.935 1.00 20.09 H new ATOM 768 N PRO A 118 27.234 -8.589 16.273 1.00 20.74 N ANISOU 768 N PRO A 118 3062 3412 1406 382 -183 1075 N ATOM 769 CA PRO A 118 25.947 -9.224 16.226 1.00 20.60 C ANISOU 769 CA PRO A 118 2845 3271 1711 228 296 913 C ATOM 770 C PRO A 118 24.744 -8.294 15.910 1.00 17.04 C ANISOU 770 C PRO A 118 3007 2999 467 44 -432 295 C ATOM 771 O PRO A 118 23.744 -8.772 15.392 1.00 19.61 O ANISOU 771 O PRO A 118 3119 2522 1809 -141 -641 118 O ATOM 772 CB PRO A 118 25.805 -9.953 17.605 1.00 24.89 C ANISOU 772 CB PRO A 118 3658 3978 1819 473 51 1279 C ATOM 773 CG PRO A 118 27.114 -9.832 18.248 1.00 30.95 C ANISOU 773 CG PRO A 118 3559 4671 3529 -22 -146 1764 C ATOM 774 CD PRO A 118 27.970 -8.806 17.525 1.00 23.25 C ANISOU 774 CD PRO A 118 3790 3384 1659 49 -786 1000 C ATOM 0 HA PRO A 118 25.914 -9.835 15.473 1.00 20.60 H new ATOM 0 HB2 PRO A 118 25.111 -9.545 18.146 1.00 24.89 H new ATOM 0 HB3 PRO A 118 25.560 -10.884 17.484 1.00 24.89 H new ATOM 0 HG2 PRO A 118 27.002 -9.571 19.176 1.00 30.95 H new ATOM 0 HG3 PRO A 118 27.561 -10.693 18.247 1.00 30.95 H new ATOM 0 HD2 PRO A 118 28.058 -7.987 18.037 1.00 23.25 H new ATOM 0 HD3 PRO A 118 28.867 -9.137 17.362 1.00 23.25 H new ATOM 775 N ALA A 119 24.904 -6.986 16.111 1.00 15.78 N ANISOU 775 N ALA A 119 2823 2404 767 194 -185 265 N ATOM 776 CA ALA A 119 23.865 -6.045 15.879 1.00 14.58 C ANISOU 776 CA ALA A 119 2505 2192 842 -175 -135 250 C ATOM 777 C ALA A 119 24.038 -5.213 14.632 1.00 13.75 C ANISOU 777 C ALA A 119 1902 2472 848 -421 -343 418 C ATOM 778 O ALA A 119 23.156 -4.459 14.278 1.00 13.59 O ANISOU 778 O ALA A 119 2479 2346 338 8 -67 -153 O ATOM 779 CB ALA A 119 23.721 -5.087 17.067 1.00 15.54 C ANISOU 779 CB ALA A 119 2589 2851 465 -181 -452 120 C ATOM 0 H ALA A 119 25.638 -6.635 16.390 1.00 15.78 H new ATOM 0 HA ALA A 119 23.070 -6.588 15.761 1.00 14.58 H new ATOM 0 HB1 ALA A 119 23.008 -4.454 16.888 1.00 15.54 H new ATOM 0 HB2 ALA A 119 23.511 -5.593 17.867 1.00 15.54 H new ATOM 0 HB3 ALA A 119 24.553 -4.607 17.198 1.00 15.54 H new ATOM 780 N VAL A 120 25.174 -5.405 13.885 1.00 13.23 N ANISOU 780 N VAL A 120 1935 2293 796 12 -317 375 N ATOM 781 CA VAL A 120 25.401 -4.661 12.602 1.00 11.59 C ANISOU 781 CA VAL A 120 1673 2165 564 201 -250 171 C ATOM 782 C VAL A 120 26.061 -5.670 11.647 1.00 12.33 C ANISOU 782 C VAL A 120 1886 2285 514 309 -378 210 C ATOM 783 O VAL A 120 27.192 -6.094 11.831 1.00 14.34 O ANISOU 783 O VAL A 120 1858 2648 942 414 -555 265 O ATOM 784 CB VAL A 120 26.291 -3.444 12.789 1.00 12.22 C ANISOU 784 CB VAL A 120 1819 2138 685 24 -45 198 C ATOM 785 CG1 VAL A 120 26.517 -2.788 11.430 1.00 12.91 C ANISOU 785 CG1 VAL A 120 1802 2403 700 -46 -257 324 C ATOM 786 CG2 VAL A 120 25.742 -2.495 13.858 1.00 13.03 C ANISOU 786 CG2 VAL A 120 1844 2390 717 122 -178 90 C ATOM 0 H VAL A 120 25.806 -5.947 14.100 1.00 13.23 H new ATOM 0 HA VAL A 120 24.562 -4.320 12.255 1.00 11.59 H new ATOM 0 HB VAL A 120 27.157 -3.714 13.132 1.00 12.22 H new ATOM 0 HG11 VAL A 120 27.085 -2.009 11.537 1.00 12.91 H new ATOM 0 HG12 VAL A 120 26.946 -3.420 10.833 1.00 12.91 H new ATOM 0 HG13 VAL A 120 25.664 -2.517 11.055 1.00 12.91 H new ATOM 0 HG21 VAL A 120 26.335 -1.732 13.949 1.00 13.03 H new ATOM 0 HG22 VAL A 120 24.860 -2.189 13.597 1.00 13.03 H new ATOM 0 HG23 VAL A 120 25.684 -2.962 14.706 1.00 13.03 H new ATOM 787 N ARG A 121 25.301 -6.048 10.595 1.00 11.86 N ANISOU 787 N ARG A 121 1577 2243 684 311 -370 224 N ATOM 788 CA ARG A 121 25.809 -7.051 9.653 1.00 13.34 C ANISOU 788 CA ARG A 121 1773 2303 991 109 -357 -40 C ATOM 789 C ARG A 121 25.069 -6.872 8.354 1.00 13.30 C ANISOU 789 C ARG A 121 1979 2190 883 82 -241 545 C ATOM 790 O ARG A 121 23.878 -6.661 8.321 1.00 12.77 O ANISOU 790 O ARG A 121 2097 2202 552 41 -186 131 O ATOM 791 CB ARG A 121 25.413 -8.452 10.087 1.00 19.12 C ANISOU 791 CB ARG A 121 3155 2343 1764 211 -935 508 C ATOM 792 CG ARG A 121 26.051 -9.540 9.273 1.00 26.17 C ANISOU 792 CG ARG A 121 4114 2865 2962 1054 -1222 668 C ATOM 793 CD ARG A 121 27.476 -9.669 9.484 1.00 34.62 C ANISOU 793 CD ARG A 121 4121 4350 4681 1122 -430 -794 C ATOM 794 NE ARG A 121 27.819 -9.772 10.913 1.00 46.06 N ANISOU 794 NE ARG A 121 4801 7768 4929 -529 -1035 1419 N ATOM 795 CZ ARG A 121 29.092 -9.878 11.303 1.00 47.44 C ANISOU 795 CZ ARG A 121 4234 8244 5547 -448 -729 655 C ATOM 796 NH1 ARG A 121 30.068 -9.904 10.368 1.00 33.63 N ANISOU 796 NH1 ARG A 121 4199 3149 5429 1436 -181 -605 N ATOM 797 NH2 ARG A 121 29.418 -9.970 12.583 1.00 43.14 N ANISOU 797 NH2 ARG A 121 6239 4896 5256 51 -497 200 N ATOM 0 H ARG A 121 24.516 -5.743 10.420 1.00 11.86 H new ATOM 0 HA ARG A 121 26.772 -6.946 9.596 1.00 13.34 H new ATOM 0 HB2 ARG A 121 25.653 -8.573 11.019 1.00 19.12 H new ATOM 0 HB3 ARG A 121 24.449 -8.539 10.029 1.00 19.12 H new ATOM 0 HG2 ARG A 121 25.623 -10.384 9.486 1.00 26.17 H new ATOM 0 HG3 ARG A 121 25.886 -9.368 8.333 1.00 26.17 H new ATOM 0 HD2 ARG A 121 27.801 -10.455 9.017 1.00 34.62 H new ATOM 0 HD3 ARG A 121 27.929 -8.903 9.098 1.00 34.62 H new ATOM 0 HE ARG A 121 27.193 -9.764 11.502 1.00 46.06 H new ATOM 0 HH11 ARG A 121 29.866 -9.853 9.534 1.00 33.63 H new ATOM 0 HH12 ARG A 121 30.891 -9.972 10.607 1.00 33.63 H new ATOM 0 HH21 ARG A 121 28.804 -9.962 13.185 1.00 43.14 H new ATOM 0 HH22 ARG A 121 30.244 -10.038 12.813 1.00 43.14 H new ATOM 798 N PRO A 122 25.809 -6.892 7.191 1.00 12.01 N ANISOU 798 N PRO A 122 1614 1998 949 275 -409 187 N ATOM 799 CA PRO A 122 25.066 -6.830 5.885 1.00 11.06 C ANISOU 799 CA PRO A 122 1342 2112 747 214 -270 278 C ATOM 800 C PRO A 122 24.154 -8.000 5.705 1.00 11.55 C ANISOU 800 C PRO A 122 1772 1900 714 435 -57 -32 C ATOM 801 O PRO A 122 24.416 -9.139 6.140 1.00 14.87 O ANISOU 801 O PRO A 122 2513 1970 1165 371 -116 210 O ATOM 802 CB PRO A 122 26.191 -6.806 4.877 1.00 13.09 C ANISOU 802 CB PRO A 122 1589 2199 1185 468 -152 54 C ATOM 803 CG PRO A 122 27.395 -6.298 5.621 1.00 16.01 C ANISOU 803 CG PRO A 122 1605 3285 1191 524 -218 254 C ATOM 804 CD PRO A 122 27.270 -6.908 6.974 1.00 14.78 C ANISOU 804 CD PRO A 122 1706 2929 978 502 -560 -10 C ATOM 0 HA PRO A 122 24.472 -6.067 5.809 1.00 11.06 H new ATOM 0 HB2 PRO A 122 26.353 -7.691 4.515 1.00 13.09 H new ATOM 0 HB3 PRO A 122 25.975 -6.229 4.128 1.00 13.09 H new ATOM 0 HG2 PRO A 122 28.220 -6.566 5.186 1.00 16.01 H new ATOM 0 HG3 PRO A 122 27.400 -5.329 5.668 1.00 16.01 H new ATOM 0 HD2 PRO A 122 27.630 -7.808 7.000 1.00 14.78 H new ATOM 0 HD3 PRO A 122 27.742 -6.394 7.648 1.00 14.78 H new ATOM 805 N LEU A 123 23.096 -7.728 4.933 1.00 11.02 N ANISOU 805 N LEU A 123 1644 1816 726 116 -208 160 N ATOM 806 CA LEU A 123 22.090 -8.740 4.528 1.00 12.13 C ANISOU 806 CA LEU A 123 1945 1836 827 65 165 -2 C ATOM 807 C LEU A 123 22.424 -9.256 3.144 1.00 11.15 C ANISOU 807 C LEU A 123 1550 1821 863 141 216 94 C ATOM 808 O LEU A 123 22.533 -8.452 2.210 1.00 12.40 O ANISOU 808 O LEU A 123 2100 1855 757 -121 149 -1 O ATOM 809 CB LEU A 123 20.687 -8.195 4.528 1.00 13.01 C ANISOU 809 CB LEU A 123 1809 2275 857 -62 171 94 C ATOM 810 CG LEU A 123 19.551 -9.090 4.177 1.00 14.39 C ANISOU 810 CG LEU A 123 2070 2211 1187 52 378 -354 C ATOM 811 CD1 LEU A 123 19.424 -10.201 5.163 1.00 16.32 C ANISOU 811 CD1 LEU A 123 1922 2357 1921 -316 291 -235 C ATOM 812 CD2 LEU A 123 18.275 -8.343 4.156 1.00 14.07 C ANISOU 812 CD2 LEU A 123 1862 2498 986 -273 214 -198 C ATOM 0 H LEU A 123 22.935 -6.942 4.622 1.00 11.02 H new ATOM 0 HA LEU A 123 22.124 -9.457 5.181 1.00 12.13 H new ATOM 0 HB2 LEU A 123 20.514 -7.840 5.414 1.00 13.01 H new ATOM 0 HB3 LEU A 123 20.667 -7.445 3.913 1.00 13.01 H new ATOM 0 HG LEU A 123 19.735 -9.451 3.296 1.00 14.39 H new ATOM 0 HD11 LEU A 123 18.679 -10.770 4.915 1.00 16.32 H new ATOM 0 HD12 LEU A 123 20.241 -10.723 5.169 1.00 16.32 H new ATOM 0 HD13 LEU A 123 19.269 -9.833 6.047 1.00 16.32 H new ATOM 0 HD21 LEU A 123 17.551 -8.946 3.925 1.00 14.07 H new ATOM 0 HD22 LEU A 123 18.110 -7.960 5.032 1.00 14.07 H new ATOM 0 HD23 LEU A 123 18.326 -7.633 3.497 1.00 14.07 H new ATOM 813 N PRO A 124 22.566 -10.583 2.944 1.00 11.88 N ANISOU 813 N PRO A 124 1740 1896 875 304 62 54 N ATOM 814 CA PRO A 124 22.656 -11.104 1.564 1.00 12.55 C ANISOU 814 CA PRO A 124 1842 1958 967 182 -261 -180 C ATOM 815 C PRO A 124 21.504 -10.639 0.708 1.00 10.70 C ANISOU 815 C PRO A 124 1365 1856 843 102 47 -122 C ATOM 816 O PRO A 124 20.345 -10.613 1.197 1.00 12.15 O ANISOU 816 O PRO A 124 1527 2191 898 61 -180 -26 O ATOM 817 CB PRO A 124 22.589 -12.623 1.730 1.00 13.76 C ANISOU 817 CB PRO A 124 1916 2025 1285 529 9 18 C ATOM 818 CG PRO A 124 23.127 -12.820 3.110 1.00 16.74 C ANISOU 818 CG PRO A 124 2793 2196 1370 734 -207 -132 C ATOM 819 CD PRO A 124 22.519 -11.670 3.925 1.00 13.79 C ANISOU 819 CD PRO A 124 2300 1795 1145 275 75 -77 C ATOM 0 HA PRO A 124 23.463 -10.795 1.123 1.00 12.55 H new ATOM 0 HB2 PRO A 124 21.682 -12.956 1.645 1.00 13.76 H new ATOM 0 HB3 PRO A 124 23.124 -13.083 1.064 1.00 13.76 H new ATOM 0 HG2 PRO A 124 22.870 -13.683 3.470 1.00 16.74 H new ATOM 0 HG3 PRO A 124 24.096 -12.786 3.120 1.00 16.74 H new ATOM 0 HD2 PRO A 124 21.614 -11.864 4.216 1.00 13.79 H new ATOM 0 HD3 PRO A 124 23.036 -11.470 4.721 1.00 13.79 H new ATOM 820 N TRP A 124A 21.748 -10.359 -0.568 1.00 12.35 N ANISOU 820 N TRP A 124A 1699 2155 837 421 40 -138 N ATOM 821 CA TRP A 124A 20.721 -9.856 -1.429 1.00 11.93 C ANISOU 821 CA TRP A 124A 1546 2045 940 384 -31 -506 C ATOM 822 C TRP A 124A 20.577 -10.666 -2.697 1.00 12.02 C ANISOU 822 C TRP A 124A 1869 1861 835 363 -68 -232 C ATOM 823 O TRP A 124A 21.534 -11.300 -3.179 1.00 14.70 O ANISOU 823 O TRP A 124A 2161 2469 954 596 10 -404 O ATOM 824 CB TRP A 124A 20.919 -8.369 -1.699 1.00 13.12 C ANISOU 824 CB TRP A 124A 1772 2090 1121 556 -180 -356 C ATOM 825 CG TRP A 124A 22.230 -7.960 -2.409 1.00 14.45 C ANISOU 825 CG TRP A 124A 1930 2221 1337 510 -181 129 C ATOM 826 CD1 TRP A 124A 23.432 -7.664 -1.782 1.00 17.21 C ANISOU 826 CD1 TRP A 124A 1767 2739 2031 418 -31 -175 C ATOM 827 CD2 TRP A 124A 22.396 -7.772 -3.799 1.00 15.12 C ANISOU 827 CD2 TRP A 124A 1971 2132 1641 371 192 411 C ATOM 828 NE1 TRP A 124A 24.364 -7.327 -2.742 1.00 16.22 N ANISOU 828 NE1 TRP A 124A 1769 2286 2107 279 -546 48 N ATOM 829 CE2 TRP A 124A 23.745 -7.366 -3.979 1.00 14.23 C ANISOU 829 CE2 TRP A 124A 1613 2176 1617 452 -102 324 C ATOM 830 CE3 TRP A 124A 21.547 -7.897 -4.923 1.00 18.56 C ANISOU 830 CE3 TRP A 124A 1833 2826 2391 785 119 -581 C ATOM 831 CZ2 TRP A 124A 24.259 -7.025 -5.250 1.00 16.94 C ANISOU 831 CZ2 TRP A 124A 2413 2336 1687 203 -118 707 C ATOM 832 CZ3 TRP A 124A 22.094 -7.561 -6.197 1.00 21.20 C ANISOU 832 CZ3 TRP A 124A 2219 3082 2754 723 -31 543 C ATOM 833 CH2 TRP A 124A 23.440 -7.211 -6.305 1.00 15.90 C ANISOU 833 CH2 TRP A 124A 2362 2317 1362 372 93 174 C ATOM 0 H TRP A 124A 22.514 -10.459 -0.946 1.00 12.35 H new ATOM 0 HA TRP A 124A 19.876 -9.955 -0.963 1.00 11.93 H new ATOM 0 HB2 TRP A 124A 20.174 -8.057 -2.236 1.00 13.12 H new ATOM 0 HB3 TRP A 124A 20.874 -7.899 -0.852 1.00 13.12 H new ATOM 0 HD1 TRP A 124A 23.584 -7.689 -0.865 1.00 17.21 H new ATOM 0 HE1 TRP A 124A 25.188 -7.127 -2.597 1.00 16.22 H new ATOM 0 HE3 TRP A 124A 20.668 -8.187 -4.835 1.00 18.56 H new ATOM 0 HZ2 TRP A 124A 25.120 -6.689 -5.354 1.00 16.94 H new ATOM 0 HZ3 TRP A 124A 21.554 -7.575 -6.954 1.00 21.20 H new ATOM 0 HH2 TRP A 124A 23.795 -7.099 -7.157 1.00 15.90 H new ATOM 834 N GLN A 125 19.324 -10.740 -3.201 1.00 12.33 N ANISOU 834 N GLN A 125 2072 1792 817 321 -362 -332 N ATOM 835 CA GLN A 125 19.020 -11.635 -4.286 1.00 12.35 C ANISOU 835 CA GLN A 125 2312 1695 682 503 -370 -336 C ATOM 836 C GLN A 125 19.657 -11.211 -5.632 1.00 15.28 C ANISOU 836 C GLN A 125 3132 2008 665 364 -225 -487 C ATOM 837 O GLN A 125 19.396 -10.111 -6.070 1.00 15.59 O ANISOU 837 O GLN A 125 2748 2117 1056 545 -276 -415 O ATOM 838 CB GLN A 125 17.523 -11.670 -4.459 1.00 14.55 C ANISOU 838 CB GLN A 125 2640 2319 567 -22 -247 -388 C ATOM 839 CG GLN A 125 17.026 -12.699 -5.494 1.00 15.03 C ANISOU 839 CG GLN A 125 2799 1854 1056 448 -599 -356 C ATOM 840 CD GLN A 125 17.386 -14.107 -5.217 1.00 21.38 C ANISOU 840 CD GLN A 125 4635 2646 840 1169 -1747 -383 C ATOM 841 OE1 GLN A 125 18.252 -14.648 -5.774 1.00 28.89 O ANISOU 841 OE1 GLN A 125 5076 2488 3411 1651 -1066 -594 O ATOM 842 NE2 GLN A 125 16.833 -14.613 -4.157 1.00 31.24 N ANISOU 842 NE2 GLN A 125 7972 2636 1262 1387 -462 -160 N ATOM 0 H GLN A 125 18.658 -10.277 -2.917 1.00 12.33 H new ATOM 0 HA GLN A 125 19.388 -12.503 -4.057 1.00 12.35 H new ATOM 0 HB2 GLN A 125 17.114 -11.866 -3.602 1.00 14.55 H new ATOM 0 HB3 GLN A 125 17.218 -10.788 -4.724 1.00 14.55 H new ATOM 0 HG2 GLN A 125 16.060 -12.634 -5.553 1.00 15.03 H new ATOM 0 HG3 GLN A 125 17.380 -12.456 -6.364 1.00 15.03 H new ATOM 0 HE21 GLN A 125 16.194 -14.193 -3.763 1.00 31.24 H new ATOM 0 HE22 GLN A 125 17.106 -15.368 -3.849 1.00 31.24 H new ATOM 843 N ARG A 126 20.474 -12.113 -6.199 1.00 20.16 N ANISOU 843 N ARG A 126 4665 2455 538 1239 291 -187 N ATOM 844 CA ARG A 126 21.199 -11.879 -7.462 1.00 26.34 C ANISOU 844 CA ARG A 126 5925 3132 951 1424 830 380 C ATOM 845 C ARG A 126 20.447 -12.623 -8.646 1.00 30.32 C ANISOU 845 C ARG A 126 7028 2548 1943 2222 323 17 C ATOM 846 O ARG A 126 20.723 -12.234 -9.851 1.00 47.58 O ANISOU 846 O ARG A 126 10848 5672 1557 2025 194 289 O ATOM 847 CB ARG A 126 22.707 -12.181 -7.308 1.00 31.71 C ANISOU 847 CB ARG A 126 5533 4637 1876 9 1012 133 C ATOM 0 H ARG A 126 20.624 -12.887 -5.857 1.00 20.16 H new ATOM 0 HA ARG A 126 21.187 -10.939 -7.702 1.00 26.34 H new ATOM 848 N VAL A 127 19.501 -13.628 -8.400 1.00 27.60 N ANISOU 848 N VAL A 127 6891 2149 1445 1548 -1307 -726 N ATOM 849 CA VAL A 127 18.857 -14.393 -9.520 1.00 35.68 C ANISOU 849 CA VAL A 127 7070 4274 2211 2143 -2066 -1362 C ATOM 850 C VAL A 127 17.506 -13.712 -9.766 1.00 29.35 C ANISOU 850 C VAL A 127 7028 3327 795 2069 -982 -462 C ATOM 851 O VAL A 127 16.627 -13.462 -8.853 1.00 29.69 O ANISOU 851 O VAL A 127 7046 2744 1491 1818 -632 -326 O ATOM 852 CB VAL A 127 18.643 -15.817 -9.004 1.00 39.71 C ANISOU 852 CB VAL A 127 7935 3585 3567 1275 -1790 -1683 C ATOM 853 CG1 VAL A 127 17.910 -16.647 -10.053 1.00 37.09 C ANISOU 853 CG1 VAL A 127 7108 3184 3797 1294 -1968 -1626 C ATOM 854 CG2 VAL A 127 20.005 -16.468 -8.723 1.00 42.31 C ANISOU 854 CG2 VAL A 127 8355 4051 3668 2056 -2913 -1286 C ATOM 0 H VAL A 127 19.240 -13.860 -7.614 1.00 27.60 H new ATOM 0 HA VAL A 127 19.381 -14.413 -10.336 1.00 35.68 H new ATOM 0 HB VAL A 127 18.115 -15.781 -8.191 1.00 39.71 H new ATOM 0 HG11 VAL A 127 17.778 -17.548 -9.719 1.00 37.09 H new ATOM 0 HG12 VAL A 127 17.048 -16.243 -10.241 1.00 37.09 H new ATOM 0 HG13 VAL A 127 18.437 -16.678 -10.867 1.00 37.09 H new ATOM 0 HG21 VAL A 127 19.871 -17.371 -8.396 1.00 42.31 H new ATOM 0 HG22 VAL A 127 20.526 -16.495 -9.541 1.00 42.31 H new ATOM 0 HG23 VAL A 127 20.480 -15.950 -8.055 1.00 42.31 H new ATOM 855 N ASP A 128 17.392 -13.331 -11.038 1.00 26.60 N ANISOU 855 N ASP A 128 5928 3237 940 2200 -1135 -412 N ATOM 856 CA ASP A 128 16.264 -12.501 -11.427 1.00 23.00 C ANISOU 856 CA ASP A 128 5507 2871 361 1752 -16 -505 C ATOM 857 C ASP A 128 15.057 -13.380 -11.738 1.00 25.71 C ANISOU 857 C ASP A 128 5721 2885 1161 1209 -289 316 C ATOM 858 O ASP A 128 14.654 -13.534 -12.899 1.00 27.00 O ANISOU 858 O ASP A 128 6022 3338 895 789 169 -263 O ATOM 859 CB ASP A 128 16.686 -11.578 -12.547 1.00 20.16 C ANISOU 859 CB ASP A 128 3465 2936 1257 1370 -235 -240 C ATOM 860 CG ASP A 128 15.686 -10.563 -12.866 1.00 17.60 C ANISOU 860 CG ASP A 128 3053 2563 1071 1172 -534 -768 C ATOM 861 OD1 ASP A 128 14.758 -10.294 -12.099 1.00 20.95 O ANISOU 861 OD1 ASP A 128 3238 3413 1308 1446 -119 -315 O ATOM 862 OD2 ASP A 128 15.815 -9.843 -13.909 1.00 19.40 O ANISOU 862 OD2 ASP A 128 2851 3191 1327 933 -130 41 O ATOM 0 H ASP A 128 17.939 -13.536 -11.669 1.00 26.60 H new ATOM 0 HA ASP A 128 15.981 -11.925 -10.700 1.00 23.00 H new ATOM 0 HB2 ASP A 128 17.516 -11.140 -12.301 1.00 20.16 H new ATOM 0 HB3 ASP A 128 16.868 -12.105 -13.341 1.00 20.16 H new ATOM 863 N ARG A 129 14.457 -13.916 -10.701 1.00 27.70 N ANISOU 863 N ARG A 129 6244 2962 1317 1570 718 -164 N ATOM 864 CA ARG A 129 13.217 -14.657 -10.819 1.00 28.17 C ANISOU 864 CA ARG A 129 5576 3374 1753 1449 647 -426 C ATOM 865 C ARG A 129 12.282 -14.256 -9.684 1.00 25.75 C ANISOU 865 C ARG A 129 5964 2394 1425 1119 772 -206 C ATOM 866 O ARG A 129 12.722 -13.838 -8.536 1.00 29.82 O ANISOU 866 O ARG A 129 6106 3834 1386 1695 475 11 O ATOM 867 CB ARG A 129 13.439 -16.206 -10.840 1.00 34.05 C ANISOU 867 CB ARG A 129 5613 3698 3626 1400 1532 -97 C ATOM 868 CG ARG A 129 13.932 -16.760 -12.210 1.00 33.08 C ANISOU 868 CG ARG A 129 5032 3620 3914 609 2125 250 C ATOM 869 CD ARG A 129 13.850 -18.292 -12.360 1.00 41.82 C ANISOU 869 CD ARG A 129 6019 4096 5775 -730 708 -731 C ATOM 870 NE ARG A 129 14.679 -19.089 -11.450 1.00 51.38 N ANISOU 870 NE ARG A 129 6789 5924 6808 558 954 -432 N ATOM 871 CZ ARG A 129 15.999 -19.320 -11.564 1.00 55.83 C ANISOU 871 CZ ARG A 129 7429 7257 6525 1130 544 -1509 C ATOM 872 NH1 ARG A 129 16.727 -18.811 -12.569 1.00 52.97 N ANISOU 872 NH1 ARG A 129 6730 5658 7735 1446 1458 -2447 N ATOM 873 NH2 ARG A 129 16.609 -20.086 -10.658 1.00 64.06 N ANISOU 873 NH2 ARG A 129 7983 8671 7684 300 -34 -193 N ATOM 0 H ARG A 129 14.758 -13.862 -9.897 1.00 27.70 H new ATOM 0 HA ARG A 129 12.814 -14.431 -11.672 1.00 28.17 H new ATOM 0 HB2 ARG A 129 14.086 -16.439 -10.156 1.00 34.05 H new ATOM 0 HB3 ARG A 129 12.607 -16.645 -10.605 1.00 34.05 H new ATOM 0 HG2 ARG A 129 13.408 -16.351 -12.917 1.00 33.08 H new ATOM 0 HG3 ARG A 129 14.852 -16.484 -12.343 1.00 33.08 H new ATOM 0 HD2 ARG A 129 12.925 -18.559 -12.239 1.00 41.82 H new ATOM 0 HD3 ARG A 129 14.094 -18.520 -13.270 1.00 41.82 H new ATOM 0 HE ARG A 129 14.281 -19.444 -10.776 1.00 51.38 H new ATOM 0 HH11 ARG A 129 16.351 -18.320 -13.166 1.00 52.97 H new ATOM 0 HH12 ARG A 129 17.570 -18.976 -12.616 1.00 52.97 H new ATOM 0 HH21 ARG A 129 16.158 -20.426 -10.009 1.00 64.06 H new ATOM 0 HH22 ARG A 129 17.453 -20.239 -10.723 1.00 64.06 H new ATOM 874 N ASP A 129A 10.987 -14.289 -10.006 1.00 33.06 N ANISOU 874 N ASP A 129A 5990 4712 1859 2527 496 -4 N ATOM 875 CA ASP A 129A 9.953 -13.788 -9.060 1.00 33.76 C ANISOU 875 CA ASP A 129A 6325 4126 2374 3053 690 -201 C ATOM 876 C ASP A 129A 10.005 -14.629 -7.827 1.00 31.82 C ANISOU 876 C ASP A 129A 4975 4489 2626 2977 -923 -490 C ATOM 877 O ASP A 129A 10.100 -15.833 -7.936 1.00 30.98 O ANISOU 877 O ASP A 129A 5497 4743 1531 2654 1541 776 O ATOM 878 CB ASP A 129A 8.514 -13.939 -9.623 1.00 33.23 C ANISOU 878 CB ASP A 129A 6490 4385 1750 2309 695 508 C ATOM 879 CG ASP A 129A 8.022 -12.678 -10.381 1.00 36.34 C ANISOU 879 CG ASP A 129A 8091 3731 1983 2070 -465 -253 C ATOM 880 OD1 ASP A 129A 8.430 -11.601 -9.967 1.00 39.10 O ANISOU 880 OD1 ASP A 129A 7264 4205 3386 1377 -1723 -1175 O ATOM 881 OD2 ASP A 129A 7.318 -12.783 -11.440 1.00 43.72 O ANISOU 881 OD2 ASP A 129A 8246 6078 2286 2167 -792 258 O ATOM 0 H ASP A 129A 10.679 -14.590 -10.751 1.00 33.06 H new ATOM 0 HA ASP A 129A 10.139 -12.850 -8.898 1.00 33.76 H new ATOM 0 HB2 ASP A 129A 8.485 -14.702 -10.222 1.00 33.23 H new ATOM 0 HB3 ASP A 129A 7.905 -14.129 -8.892 1.00 33.23 H new ATOM 882 N VAL A 130 9.854 -13.891 -6.703 1.00 26.72 N ANISOU 882 N VAL A 130 4383 3888 1878 1228 596 185 N ATOM 883 CA VAL A 130 9.550 -14.522 -5.429 1.00 21.55 C ANISOU 883 CA VAL A 130 3111 3322 1754 138 -104 -621 C ATOM 884 C VAL A 130 8.131 -15.070 -5.744 1.00 21.35 C ANISOU 884 C VAL A 130 3140 3821 1150 405 -598 -1130 C ATOM 885 O VAL A 130 7.266 -14.269 -6.155 1.00 20.35 O ANISOU 885 O VAL A 130 2622 3360 1750 -92 -245 -142 O ATOM 886 CB VAL A 130 9.576 -13.617 -4.191 1.00 19.07 C ANISOU 886 CB VAL A 130 3106 3000 1137 -685 79 -204 C ATOM 887 CG1 VAL A 130 8.923 -14.364 -3.001 1.00 23.14 C ANISOU 887 CG1 VAL A 130 2857 3554 2378 -916 368 247 C ATOM 888 CG2 VAL A 130 11.005 -13.168 -3.925 1.00 20.11 C ANISOU 888 CG2 VAL A 130 3005 2761 1872 -594 18 227 C ATOM 0 H VAL A 130 9.926 -13.035 -6.672 1.00 26.72 H new ATOM 0 HA VAL A 130 10.218 -15.174 -5.165 1.00 21.55 H new ATOM 0 HB VAL A 130 9.056 -12.810 -4.332 1.00 19.07 H new ATOM 0 HG11 VAL A 130 8.937 -13.796 -2.215 1.00 23.14 H new ATOM 0 HG12 VAL A 130 8.005 -14.586 -3.223 1.00 23.14 H new ATOM 0 HG13 VAL A 130 9.418 -15.178 -2.819 1.00 23.14 H new ATOM 0 HG21 VAL A 130 11.024 -12.595 -3.142 1.00 20.11 H new ATOM 0 HG22 VAL A 130 11.565 -13.945 -3.771 1.00 20.11 H new ATOM 0 HG23 VAL A 130 11.338 -12.677 -4.692 1.00 20.11 H new ATOM 889 N ALA A 131 7.885 -16.322 -5.468 1.00 20.32 N ANISOU 889 N ALA A 131 3517 3002 1201 1139 -882 -728 N ATOM 890 CA ALA A 131 6.579 -16.842 -5.562 1.00 27.06 C ANISOU 890 CA ALA A 131 2686 4029 3566 817 -859 -2855 C ATOM 891 C ALA A 131 5.409 -16.274 -4.691 1.00 22.55 C ANISOU 891 C ALA A 131 3666 4046 854 2004 -857 -537 C ATOM 892 O ALA A 131 5.571 -15.935 -3.525 1.00 22.32 O ANISOU 892 O ALA A 131 3935 3927 616 1394 -361 -459 O ATOM 893 CB ALA A 131 6.655 -18.246 -5.102 1.00 24.75 C ANISOU 893 CB ALA A 131 3113 4117 2173 2043 -179 -2199 C ATOM 0 H ALA A 131 8.481 -16.890 -5.220 1.00 20.32 H new ATOM 0 HA ALA A 131 6.352 -16.629 -6.481 1.00 27.06 H new ATOM 0 HB1 ALA A 131 5.774 -18.650 -5.148 1.00 24.75 H new ATOM 0 HB2 ALA A 131 7.267 -18.740 -5.669 1.00 24.75 H new ATOM 0 HB3 ALA A 131 6.973 -18.270 -4.186 1.00 24.75 H new ATOM 894 N PRO A 132 4.224 -16.134 -5.299 1.00 23.82 N ANISOU 894 N PRO A 132 3715 4306 1027 1855 -829 -835 N ATOM 895 CA PRO A 132 3.209 -15.421 -4.496 1.00 20.17 C ANISOU 895 CA PRO A 132 3633 2968 1062 1519 -459 59 C ATOM 896 C PRO A 132 2.753 -16.229 -3.244 1.00 18.59 C ANISOU 896 C PRO A 132 3522 2890 651 541 -1001 -469 C ATOM 897 O PRO A 132 2.855 -17.461 -3.097 1.00 22.30 O ANISOU 897 O PRO A 132 3402 3037 2034 929 -1333 -1249 O ATOM 898 CB PRO A 132 2.180 -15.032 -5.515 1.00 21.29 C ANISOU 898 CB PRO A 132 3049 3580 1459 1031 -393 -62 C ATOM 899 CG PRO A 132 2.270 -16.214 -6.493 1.00 23.52 C ANISOU 899 CG PRO A 132 3146 3475 2315 1163 -1053 -398 C ATOM 900 CD PRO A 132 3.737 -16.433 -6.631 1.00 21.23 C ANISOU 900 CD PRO A 132 2929 3768 1366 80 -904 -582 C ATOM 0 HA PRO A 132 3.523 -14.622 -4.044 1.00 20.17 H new ATOM 0 HB2 PRO A 132 1.295 -14.944 -5.127 1.00 21.29 H new ATOM 0 HB3 PRO A 132 2.388 -14.186 -5.942 1.00 21.29 H new ATOM 0 HG2 PRO A 132 1.822 -17.001 -6.146 1.00 23.52 H new ATOM 0 HG3 PRO A 132 1.857 -16.005 -7.346 1.00 23.52 H new ATOM 0 HD2 PRO A 132 3.943 -17.343 -6.895 1.00 21.23 H new ATOM 0 HD3 PRO A 132 4.128 -15.848 -7.299 1.00 21.23 H new ATOM 901 N GLY A 133 2.275 -15.448 -2.294 1.00 14.11 N ANISOU 901 N GLY A 133 2508 1965 887 275 -377 -93 N ATOM 902 CA GLY A 133 1.922 -15.944 -0.963 1.00 12.82 C ANISOU 902 CA GLY A 133 1985 1608 1275 -246 -361 59 C ATOM 903 C GLY A 133 3.097 -16.147 -0.051 1.00 12.55 C ANISOU 903 C GLY A 133 1894 1903 971 -257 -362 -32 C ATOM 904 O GLY A 133 2.886 -16.220 1.149 1.00 14.02 O ANISOU 904 O GLY A 133 2339 2039 948 -476 -195 -193 O ATOM 0 H GLY A 133 2.142 -14.605 -2.397 1.00 14.11 H new ATOM 0 HA2 GLY A 133 1.308 -15.318 -0.548 1.00 12.82 H new ATOM 0 HA3 GLY A 133 1.449 -16.786 -1.057 1.00 12.82 H new ATOM 905 N THR A 134 4.322 -16.074 -0.515 1.00 13.09 N ANISOU 905 N THR A 134 1879 2029 1064 -182 -315 161 N ATOM 906 CA THR A 134 5.496 -16.213 0.284 1.00 12.77 C ANISOU 906 CA THR A 134 1875 1706 1270 -300 -354 43 C ATOM 907 C THR A 134 5.451 -15.132 1.345 1.00 12.80 C ANISOU 907 C THR A 134 2102 1707 1054 -542 -329 213 C ATOM 908 O THR A 134 5.264 -13.952 1.053 1.00 12.78 O ANISOU 908 O THR A 134 2063 1901 890 -179 -385 83 O ATOM 909 CB THR A 134 6.771 -16.057 -0.557 1.00 15.15 C ANISOU 909 CB THR A 134 2049 2294 1410 203 -247 -322 C ATOM 910 OG1 THR A 134 6.852 -17.040 -1.616 1.00 14.48 O ANISOU 910 OG1 THR A 134 2017 2104 1378 -90 -222 -474 O ATOM 911 CG2 THR A 134 7.972 -16.180 0.258 1.00 16.73 C ANISOU 911 CG2 THR A 134 1794 2866 1694 30 -170 -168 C ATOM 0 H THR A 134 4.494 -15.935 -1.346 1.00 13.09 H new ATOM 0 HA THR A 134 5.517 -17.098 0.680 1.00 12.77 H new ATOM 0 HB THR A 134 6.720 -15.168 -0.943 1.00 15.15 H new ATOM 0 HG1 THR A 134 6.228 -16.914 -2.164 1.00 14.48 H new ATOM 0 HG21 THR A 134 8.756 -16.077 -0.303 1.00 16.73 H new ATOM 0 HG22 THR A 134 7.971 -15.492 0.942 1.00 16.73 H new ATOM 0 HG23 THR A 134 7.989 -17.054 0.679 1.00 16.73 H new ATOM 912 N LEU A 135 5.700 -15.559 2.622 1.00 13.30 N ANISOU 912 N LEU A 135 1845 2034 1172 -36 -180 363 N ATOM 913 CA LEU A 135 5.689 -14.576 3.707 1.00 15.08 C ANISOU 913 CA LEU A 135 2355 2075 1297 -83 93 114 C ATOM 914 C LEU A 135 7.035 -13.883 3.804 1.00 14.35 C ANISOU 914 C LEU A 135 2103 2252 1098 147 -210 -55 C ATOM 915 O LEU A 135 8.023 -14.555 4.111 1.00 19.58 O ANISOU 915 O LEU A 135 2186 2552 2700 -221 -989 -20 O ATOM 916 CB LEU A 135 5.473 -15.339 5.026 1.00 18.70 C ANISOU 916 CB LEU A 135 3105 2765 1233 206 65 366 C ATOM 917 CG LEU A 135 4.048 -15.547 5.288 1.00 26.22 C ANISOU 917 CG LEU A 135 4013 3687 2262 -361 400 1195 C ATOM 918 CD1 LEU A 135 3.923 -16.301 6.623 1.00 25.86 C ANISOU 918 CD1 LEU A 135 3788 3879 2157 -506 370 1438 C ATOM 919 CD2 LEU A 135 3.128 -14.283 5.432 1.00 24.24 C ANISOU 919 CD2 LEU A 135 2277 4044 2889 18 307 889 C ATOM 0 H LEU A 135 5.867 -16.370 2.853 1.00 13.30 H new ATOM 0 HA LEU A 135 4.993 -13.921 3.541 1.00 15.08 H new ATOM 0 HB2 LEU A 135 5.926 -16.196 4.985 1.00 18.70 H new ATOM 0 HB3 LEU A 135 5.870 -14.843 5.759 1.00 18.70 H new ATOM 0 HG LEU A 135 3.737 -16.011 4.495 1.00 26.22 H new ATOM 0 HD11 LEU A 135 2.986 -16.453 6.823 1.00 25.86 H new ATOM 0 HD12 LEU A 135 4.382 -17.153 6.558 1.00 25.86 H new ATOM 0 HD13 LEU A 135 4.322 -15.773 7.332 1.00 25.86 H new ATOM 0 HD21 LEU A 135 2.215 -14.564 5.602 1.00 24.24 H new ATOM 0 HD22 LEU A 135 3.441 -13.737 6.170 1.00 24.24 H new ATOM 0 HD23 LEU A 135 3.158 -13.765 4.612 1.00 24.24 H new ATOM 920 N CYS A 136 7.041 -12.549 3.658 1.00 12.74 N ANISOU 920 N CYS A 136 2011 2108 720 -110 -130 -230 N ATOM 921 CA CYS A 136 8.208 -11.748 3.732 1.00 12.62 C ANISOU 921 CA CYS A 136 2143 2135 516 -178 -67 -231 C ATOM 922 C CYS A 136 8.148 -10.779 4.888 1.00 14.36 C ANISOU 922 C CYS A 136 2169 2408 878 -358 135 -438 C ATOM 923 O CYS A 136 7.098 -10.425 5.281 1.00 21.21 O ANISOU 923 O CYS A 136 2401 4295 1361 479 -509 -1365 O ATOM 924 CB CYS A 136 8.486 -11.045 2.438 1.00 13.00 C ANISOU 924 CB CYS A 136 2056 2430 453 -436 -72 -144 C ATOM 925 SG CYS A 136 8.645 -12.198 1.000 1.00 16.56 S ANISOU 925 SG CYS A 136 2508 3140 642 -500 -187 -348 S ATOM 0 H CYS A 136 6.326 -12.095 3.509 1.00 12.74 H new ATOM 0 HA CYS A 136 8.952 -12.348 3.897 1.00 12.62 H new ATOM 0 HB2 CYS A 136 7.772 -10.413 2.260 1.00 13.00 H new ATOM 0 HB3 CYS A 136 9.304 -10.532 2.525 1.00 13.00 H new ATOM 926 N ASP A 137 9.303 -10.447 5.397 1.00 13.01 N ANISOU 926 N ASP A 137 2256 2025 661 -591 335 -324 N ATOM 927 CA ASP A 137 9.399 -9.565 6.565 1.00 14.60 C ANISOU 927 CA ASP A 137 2424 2550 573 -934 -1 -393 C ATOM 928 C ASP A 137 9.691 -8.140 6.103 1.00 12.65 C ANISOU 928 C ASP A 137 2246 2158 402 -557 79 -700 C ATOM 929 O ASP A 137 10.680 -7.951 5.299 1.00 14.24 O ANISOU 929 O ASP A 137 2301 2225 885 -538 523 -490 O ATOM 930 CB ASP A 137 10.514 -10.054 7.467 1.00 17.41 C ANISOU 930 CB ASP A 137 3034 2860 719 -417 10 199 C ATOM 931 CG ASP A 137 10.669 -9.217 8.779 1.00 22.57 C ANISOU 931 CG ASP A 137 4463 3521 590 -1096 23 97 C ATOM 932 OD1 ASP A 137 9.883 -9.497 9.614 1.00 35.61 O ANISOU 932 OD1 ASP A 137 6202 5331 1997 -2642 709 -555 O ATOM 933 OD2 ASP A 137 11.563 -8.346 8.867 1.00 27.47 O ANISOU 933 OD2 ASP A 137 4605 3969 1863 -1308 -192 -187 O ATOM 0 H ASP A 137 10.060 -10.716 5.090 1.00 13.01 H new ATOM 0 HA ASP A 137 8.562 -9.574 7.055 1.00 14.60 H new ATOM 0 HB2 ASP A 137 10.348 -10.981 7.701 1.00 17.41 H new ATOM 0 HB3 ASP A 137 11.351 -10.031 6.977 1.00 17.41 H new ATOM 934 N VAL A 138 8.955 -7.128 6.584 1.00 12.22 N ANISOU 934 N VAL A 138 1885 2101 657 -583 441 -554 N ATOM 935 CA VAL A 138 9.350 -5.773 6.404 1.00 12.05 C ANISOU 935 CA VAL A 138 1746 2266 564 -561 26 -381 C ATOM 936 C VAL A 138 9.423 -5.096 7.765 1.00 13.61 C ANISOU 936 C VAL A 138 2328 2281 560 -936 377 -442 C ATOM 937 O VAL A 138 8.498 -5.257 8.591 1.00 16.73 O ANISOU 937 O VAL A 138 2590 3246 518 -1536 421 -661 O ATOM 938 CB VAL A 138 8.402 -5.013 5.513 1.00 14.72 C ANISOU 938 CB VAL A 138 2499 2493 599 -380 -154 -300 C ATOM 939 CG1 VAL A 138 7.057 -5.038 5.887 1.00 21.31 C ANISOU 939 CG1 VAL A 138 2464 3094 2539 225 -364 -154 C ATOM 940 CG2 VAL A 138 8.835 -3.575 5.109 1.00 18.00 C ANISOU 940 CG2 VAL A 138 3285 2387 1167 -373 -271 -34 C ATOM 0 H VAL A 138 8.220 -7.231 7.019 1.00 12.22 H new ATOM 0 HA VAL A 138 10.218 -5.770 5.970 1.00 12.05 H new ATOM 0 HB VAL A 138 8.477 -5.552 4.710 1.00 14.72 H new ATOM 0 HG11 VAL A 138 6.535 -4.523 5.252 1.00 21.31 H new ATOM 0 HG12 VAL A 138 6.741 -5.955 5.896 1.00 21.31 H new ATOM 0 HG13 VAL A 138 6.960 -4.654 6.772 1.00 21.31 H new ATOM 0 HG21 VAL A 138 8.156 -3.181 4.539 1.00 18.00 H new ATOM 0 HG22 VAL A 138 8.942 -3.033 5.906 1.00 18.00 H new ATOM 0 HG23 VAL A 138 9.677 -3.613 4.629 1.00 18.00 H new ATOM 941 N ALA A 139 10.445 -4.316 7.965 1.00 12.65 N ANISOU 941 N ALA A 139 1997 2186 620 -720 327 -440 N ATOM 942 CA ALA A 139 10.650 -3.658 9.245 1.00 10.76 C ANISOU 942 CA ALA A 139 1572 2014 501 -390 234 -346 C ATOM 943 C ALA A 139 10.883 -2.171 8.933 1.00 11.54 C ANISOU 943 C ALA A 139 1727 1979 678 -238 442 -557 C ATOM 944 O ALA A 139 11.347 -1.800 7.833 1.00 12.13 O ANISOU 944 O ALA A 139 1746 2314 545 -395 545 -514 O ATOM 945 CB ALA A 139 11.796 -4.254 10.011 1.00 13.59 C ANISOU 945 CB ALA A 139 1709 2487 964 -557 -12 -187 C ATOM 0 H ALA A 139 11.045 -4.145 7.374 1.00 12.65 H new ATOM 0 HA ALA A 139 9.876 -3.776 9.818 1.00 10.76 H new ATOM 0 HB1 ALA A 139 11.898 -3.788 10.856 1.00 13.59 H new ATOM 0 HB2 ALA A 139 11.619 -5.193 10.180 1.00 13.59 H new ATOM 0 HB3 ALA A 139 12.612 -4.167 9.493 1.00 13.59 H new ATOM 946 N GLY A 140 10.575 -1.311 9.902 1.00 12.53 N ANISOU 946 N GLY A 140 2037 2066 654 -694 462 -832 N ATOM 947 CA GLY A 140 10.815 0.107 9.707 1.00 13.11 C ANISOU 947 CA GLY A 140 2147 2130 701 -718 505 -843 C ATOM 948 C GLY A 140 10.404 0.949 10.912 1.00 10.71 C ANISOU 948 C GLY A 140 1828 1931 309 -808 196 -570 C ATOM 949 O GLY A 140 9.685 0.431 11.803 1.00 12.14 O ANISOU 949 O GLY A 140 2049 2277 283 -710 438 -372 O ATOM 0 H GLY A 140 10.234 -1.526 10.662 1.00 12.53 H new ATOM 0 HA2 GLY A 140 11.757 0.249 9.525 1.00 13.11 H new ATOM 0 HA3 GLY A 140 10.326 0.409 8.925 1.00 13.11 H new ATOM 950 N TRP A 141 10.785 2.198 10.862 1.00 10.05 N ANISOU 950 N TRP A 141 1602 1760 454 -589 333 -536 N ATOM 951 CA TRP A 141 10.451 3.243 11.782 1.00 11.44 C ANISOU 951 CA TRP A 141 1730 2084 530 -381 365 -738 C ATOM 952 C TRP A 141 9.394 4.154 11.160 1.00 11.05 C ANISOU 952 C TRP A 141 1522 2066 611 -615 309 -184 C ATOM 953 O TRP A 141 9.176 5.300 11.612 1.00 12.17 O ANISOU 953 O TRP A 141 1678 2686 260 -353 117 -454 O ATOM 954 CB TRP A 141 11.614 3.974 12.335 1.00 9.78 C ANISOU 954 CB TRP A 141 1472 1522 721 -277 356 -435 C ATOM 955 CG TRP A 141 12.644 3.243 13.116 1.00 11.20 C ANISOU 955 CG TRP A 141 1717 1874 662 -415 235 -174 C ATOM 956 CD1 TRP A 141 12.625 3.127 14.513 1.00 12.39 C ANISOU 956 CD1 TRP A 141 1864 2231 610 -499 719 -159 C ATOM 957 CD2 TRP A 141 13.783 2.593 12.706 1.00 11.02 C ANISOU 957 CD2 TRP A 141 1576 2065 544 -400 -73 -328 C ATOM 958 NE1 TRP A 141 13.728 2.483 14.926 1.00 13.50 N ANISOU 958 NE1 TRP A 141 1867 2268 992 -354 303 -384 N ATOM 959 CE2 TRP A 141 14.492 2.114 13.856 1.00 12.03 C ANISOU 959 CE2 TRP A 141 1754 2009 806 -306 9 -325 C ATOM 960 CE3 TRP A 141 14.340 2.386 11.404 1.00 12.18 C ANISOU 960 CE3 TRP A 141 1954 2046 625 -607 98 -454 C ATOM 961 CZ2 TRP A 141 15.607 1.391 13.775 1.00 13.57 C ANISOU 961 CZ2 TRP A 141 1825 2400 931 -589 262 57 C ATOM 962 CZ3 TRP A 141 15.508 1.666 11.310 1.00 13.56 C ANISOU 962 CZ3 TRP A 141 2190 2188 771 -551 206 114 C ATOM 963 CH2 TRP A 141 16.172 1.237 12.506 1.00 13.29 C ANISOU 963 CH2 TRP A 141 1367 2519 1162 -333 359 340 C ATOM 0 H TRP A 141 11.293 2.482 10.229 1.00 10.05 H new ATOM 0 HA TRP A 141 10.070 2.824 12.570 1.00 11.44 H new ATOM 0 HB2 TRP A 141 12.066 4.403 11.592 1.00 9.78 H new ATOM 0 HB3 TRP A 141 11.268 4.680 12.903 1.00 9.78 H new ATOM 0 HD1 TRP A 141 11.951 3.447 15.069 1.00 12.39 H new ATOM 0 HE1 TRP A 141 13.926 2.325 15.748 1.00 13.50 H new ATOM 0 HE3 TRP A 141 13.925 2.728 10.645 1.00 12.18 H new ATOM 0 HZ2 TRP A 141 15.992 1.006 14.529 1.00 13.57 H new ATOM 0 HZ3 TRP A 141 15.865 1.459 10.476 1.00 13.56 H new ATOM 0 HH2 TRP A 141 17.011 0.841 12.435 1.00 13.29 H new ATOM 964 N GLY A 142 8.695 3.639 10.104 1.00 12.06 N ANISOU 964 N GLY A 142 1441 2307 833 -297 284 -680 N ATOM 965 CA GLY A 142 7.656 4.404 9.579 1.00 12.71 C ANISOU 965 CA GLY A 142 1491 2183 1153 -336 377 -865 C ATOM 966 C GLY A 142 6.427 4.606 10.437 1.00 14.39 C ANISOU 966 C GLY A 142 1449 3292 725 -580 325 -686 C ATOM 967 O GLY A 142 6.325 3.998 11.540 1.00 14.46 O ANISOU 967 O GLY A 142 2011 3221 261 -438 125 -643 O ATOM 0 H GLY A 142 8.836 2.879 9.727 1.00 12.06 H new ATOM 0 HA2 GLY A 142 8.012 5.279 9.358 1.00 12.71 H new ATOM 0 HA3 GLY A 142 7.374 3.993 8.747 1.00 12.71 H new ATOM 968 N ILE A 143 5.484 5.429 9.978 1.00 14.62 N ANISOU 968 N ILE A 143 1535 3145 874 -765 556 -1098 N ATOM 969 CA ILE A 143 4.324 5.729 10.741 1.00 17.37 C ANISOU 969 CA ILE A 143 2036 2921 1641 -587 989 -1297 C ATOM 970 C ILE A 143 3.512 4.469 11.149 1.00 16.29 C ANISOU 970 C ILE A 143 1693 2841 1655 -523 1076 -1170 C ATOM 971 O ILE A 143 3.446 3.495 10.414 1.00 19.02 O ANISOU 971 O ILE A 143 1988 3566 1670 -860 829 -1523 O ATOM 972 CB ILE A 143 3.422 6.808 10.146 1.00 16.08 C ANISOU 972 CB ILE A 143 1846 3523 740 -575 659 -1092 C ATOM 973 CG1 ILE A 143 2.804 6.391 8.833 1.00 17.12 C ANISOU 973 CG1 ILE A 143 1651 3642 1210 -328 400 -1323 C ATOM 974 CG2 ILE A 143 4.241 8.072 9.887 1.00 17.02 C ANISOU 974 CG2 ILE A 143 2225 3221 1018 -258 358 -701 C ATOM 975 CD1 ILE A 143 1.786 7.314 8.289 1.00 18.38 C ANISOU 975 CD1 ILE A 143 1620 3933 1427 15 428 -948 C ATOM 0 H ILE A 143 5.517 5.819 9.212 1.00 14.62 H new ATOM 0 HA ILE A 143 4.687 6.115 11.553 1.00 17.37 H new ATOM 0 HB ILE A 143 2.712 6.962 10.789 1.00 16.08 H new ATOM 0 HG12 ILE A 143 3.512 6.292 8.177 1.00 17.12 H new ATOM 0 HG13 ILE A 143 2.398 5.517 8.947 1.00 17.12 H new ATOM 0 HG21 ILE A 143 3.668 8.757 9.509 1.00 17.02 H new ATOM 0 HG22 ILE A 143 4.618 8.391 10.722 1.00 17.02 H new ATOM 0 HG23 ILE A 143 4.958 7.872 9.265 1.00 17.02 H new ATOM 0 HD11 ILE A 143 1.448 6.965 7.449 1.00 18.38 H new ATOM 0 HD12 ILE A 143 1.055 7.399 8.921 1.00 18.38 H new ATOM 0 HD13 ILE A 143 2.186 8.185 8.139 1.00 18.38 H new ATOM 976 N VAL A 144 2.889 4.517 12.324 1.00 19.06 N ANISOU 976 N VAL A 144 2417 3203 1619 -1046 1309 -1287 N ATOM 977 CA VAL A 144 2.217 3.360 12.924 1.00 18.50 C ANISOU 977 CA VAL A 144 2617 2645 1766 -804 1229 -1212 C ATOM 978 C VAL A 144 0.714 3.519 13.003 1.00 20.64 C ANISOU 978 C VAL A 144 2655 2678 2507 -1012 646 -1607 C ATOM 979 O VAL A 144 0.065 2.597 13.394 1.00 21.73 O ANISOU 979 O VAL A 144 2384 3396 2473 -1063 1281 -1379 O ATOM 980 CB VAL A 144 2.799 2.887 14.329 1.00 20.54 C ANISOU 980 CB VAL A 144 2792 3180 1831 -691 1161 -1268 C ATOM 981 CG1 VAL A 144 4.228 2.379 14.150 1.00 20.15 C ANISOU 981 CG1 VAL A 144 2725 3624 1304 -1140 751 -1035 C ATOM 982 CG2 VAL A 144 2.695 4.006 15.350 1.00 20.56 C ANISOU 982 CG2 VAL A 144 3112 3303 1396 -339 721 -1063 C ATOM 0 H VAL A 144 2.843 5.230 12.803 1.00 19.06 H new ATOM 0 HA VAL A 144 2.419 2.648 12.297 1.00 18.50 H new ATOM 0 HB VAL A 144 2.271 2.149 14.673 1.00 20.54 H new ATOM 0 HG11 VAL A 144 4.579 2.092 15.007 1.00 20.15 H new ATOM 0 HG12 VAL A 144 4.231 1.631 13.533 1.00 20.15 H new ATOM 0 HG13 VAL A 144 4.783 3.091 13.796 1.00 20.15 H new ATOM 0 HG21 VAL A 144 3.053 3.704 16.199 1.00 20.56 H new ATOM 0 HG22 VAL A 144 3.201 4.774 15.041 1.00 20.56 H new ATOM 0 HG23 VAL A 144 1.765 4.256 15.462 1.00 20.56 H new ATOM 983 N ASN A 145 0.162 4.644 12.546 1.00 19.35 N ANISOU 983 N ASN A 145 2698 2940 1714 -973 1767 -1151 N ATOM 984 CA ASN A 145 -1.305 4.861 12.486 1.00 21.69 C ANISOU 984 CA ASN A 145 2741 3403 2096 -839 1520 -1029 C ATOM 985 C ASN A 145 -1.571 5.960 11.403 1.00 21.47 C ANISOU 985 C ASN A 145 3412 3396 1347 -1750 1230 -1100 C ATOM 986 O ASN A 145 -0.645 6.612 10.843 1.00 24.95 O ANISOU 986 O ASN A 145 3666 3865 1949 -1848 1688 -1343 O ATOM 987 CB ASN A 145 -1.883 5.161 13.870 1.00 17.11 C ANISOU 987 CB ASN A 145 1937 2659 1903 -322 1442 -303 C ATOM 988 CG ASN A 145 -1.368 6.414 14.460 1.00 16.90 C ANISOU 988 CG ASN A 145 2522 2972 924 -524 265 265 C ATOM 989 OD1 ASN A 145 -0.987 7.399 13.725 1.00 19.31 O ANISOU 989 OD1 ASN A 145 3291 2885 1159 -868 1269 -679 O ATOM 990 ND2 ASN A 145 -1.430 6.510 15.805 1.00 22.84 N ANISOU 990 ND2 ASN A 145 3294 4241 1143 -529 636 -741 N ATOM 0 H ASN A 145 0.622 5.311 12.259 1.00 19.35 H new ATOM 0 HA ASN A 145 -1.776 4.057 12.215 1.00 21.69 H new ATOM 0 HB2 ASN A 145 -2.849 5.215 13.805 1.00 17.11 H new ATOM 0 HB3 ASN A 145 -1.679 4.423 14.466 1.00 17.11 H new ATOM 0 HD21 ASN A 145 -1.211 7.245 16.194 1.00 22.84 H new ATOM 0 HD22 ASN A 145 -1.688 5.836 16.273 1.00 22.84 H new ATOM 991 N HIS A 146 -2.837 6.077 11.076 1.00 22.52 N ANISOU 991 N HIS A 146 3000 3838 1718 -1361 1127 -1030 N ATOM 992 CA HIS A 146 -3.282 7.090 10.103 1.00 25.36 C ANISOU 992 CA HIS A 146 4454 3467 1714 -1690 593 -313 C ATOM 993 C HIS A 146 -3.103 8.514 10.476 1.00 22.16 C ANISOU 993 C HIS A 146 3874 3516 1026 -1662 1257 -483 C ATOM 994 O HIS A 146 -3.009 9.409 9.648 1.00 22.89 O ANISOU 994 O HIS A 146 3262 4617 818 -1477 140 -280 O ATOM 995 CB HIS A 146 -4.813 6.875 9.796 1.00 32.14 C ANISOU 995 CB HIS A 146 4931 5075 2206 -1471 -297 -780 C ATOM 996 CG HIS A 146 -5.052 5.695 8.962 1.00 34.61 C ANISOU 996 CG HIS A 146 6410 5298 1442 -2441 1532 -452 C ATOM 997 ND1 HIS A 146 -6.297 5.277 8.520 1.00 48.31 N ANISOU 997 ND1 HIS A 146 8169 7152 3034 -4998 1112 -1435 N ATOM 998 CD2 HIS A 146 -4.155 5.046 8.221 1.00 26.96 C ANISOU 998 CD2 HIS A 146 2982 1684 5575 -376 -2684 -420 C ATOM 999 CE1 HIS A 146 -6.144 4.231 7.673 1.00 28.40 C ANISOU 999 CE1 HIS A 146 4097 5169 1524 -3862 -1223 122 C ATOM 1000 NE2 HIS A 146 -4.788 4.040 7.618 1.00 38.26 N ANISOU 1000 NE2 HIS A 146 6428 4032 4074 -2325 -2225 -1420 N ATOM 0 H HIS A 146 -3.467 5.587 11.397 1.00 22.52 H new ATOM 0 HA HIS A 146 -2.699 6.945 9.341 1.00 25.36 H new ATOM 0 HB2 HIS A 146 -5.298 6.782 10.631 1.00 32.14 H new ATOM 0 HB3 HIS A 146 -5.165 7.661 9.349 1.00 32.14 H new ATOM 0 HD2 HIS A 146 -3.253 5.256 8.139 1.00 26.96 H new ATOM 0 HE1 HIS A 146 -6.807 3.752 7.230 1.00 28.40 H new ATOM 0 HE2 HIS A 146 -4.401 3.367 7.247 1.00 38.26 H new ATOM 1001 N ALA A 147 -3.019 8.778 11.813 1.00 19.71 N ANISOU 1001 N ALA A 147 2628 3714 1144 -693 667 -669 N ATOM 1002 CA ALA A 147 -2.687 10.095 12.262 1.00 17.89 C ANISOU 1002 CA ALA A 147 2363 3416 1017 -585 349 -405 C ATOM 1003 C ALA A 147 -1.247 10.535 12.026 1.00 17.61 C ANISOU 1003 C ALA A 147 2567 3354 769 -996 588 -591 C ATOM 1004 O ALA A 147 -0.927 11.738 12.083 1.00 17.42 O ANISOU 1004 O ALA A 147 2267 3194 1155 -781 524 -894 O ATOM 1005 CB ALA A 147 -2.936 10.170 13.803 1.00 16.89 C ANISOU 1005 CB ALA A 147 2097 3226 1092 -390 801 -378 C ATOM 0 H ALA A 147 -3.153 8.201 12.437 1.00 19.71 H new ATOM 0 HA ALA A 147 -3.248 10.687 11.737 1.00 17.89 H new ATOM 0 HB1 ALA A 147 -2.715 11.058 14.124 1.00 16.89 H new ATOM 0 HB2 ALA A 147 -3.869 9.982 13.990 1.00 16.89 H new ATOM 0 HB3 ALA A 147 -2.378 9.516 14.253 1.00 16.89 H new ATOM 1006 N GLY A 149 -0.376 9.537 11.615 1.00 16.89 N ANISOU 1006 N GLY A 149 2409 3286 721 -709 457 -422 N ATOM 1007 CA GLY A 149 1.010 9.830 11.371 1.00 15.70 C ANISOU 1007 CA GLY A 149 2334 2172 1456 -383 440 109 C ATOM 1008 C GLY A 149 1.990 9.634 12.544 1.00 15.56 C ANISOU 1008 C GLY A 149 2699 2238 972 -846 202 -602 C ATOM 1009 O GLY A 149 3.105 10.177 12.518 1.00 15.49 O ANISOU 1009 O GLY A 149 2453 2265 1166 -305 315 -278 O ATOM 0 H GLY A 149 -0.601 8.717 11.486 1.00 16.89 H new ATOM 0 HA2 GLY A 149 1.309 9.275 10.634 1.00 15.70 H new ATOM 0 HA3 GLY A 149 1.075 10.752 11.076 1.00 15.70 H new ATOM 1010 N ARG A 150 1.544 8.893 13.613 1.00 15.25 N ANISOU 1010 N ARG A 150 2056 2689 1047 -424 595 -557 N ATOM 1011 CA ARG A 150 2.430 8.778 14.805 1.00 16.50 C ANISOU 1011 CA ARG A 150 2365 2848 1055 -682 176 -695 C ATOM 1012 C ARG A 150 3.743 8.081 14.427 1.00 14.54 C ANISOU 1012 C ARG A 150 2383 2862 279 -667 442 -464 C ATOM 1013 O ARG A 150 3.720 7.016 13.742 1.00 17.50 O ANISOU 1013 O ARG A 150 2630 2965 1055 -812 985 -901 O ATOM 1014 CB ARG A 150 1.688 7.982 15.828 1.00 18.33 C ANISOU 1014 CB ARG A 150 2307 2884 1773 -609 737 -406 C ATOM 1015 CG ARG A 150 2.536 7.748 17.094 1.00 22.76 C ANISOU 1015 CG ARG A 150 3020 4031 1597 -217 416 -337 C ATOM 1016 CD ARG A 150 1.860 6.722 18.054 1.00 35.84 C ANISOU 1016 CD ARG A 150 4444 5135 4037 -514 980 137 C ATOM 1017 NE ARG A 150 1.704 7.074 19.443 1.00 53.87 N ANISOU 1017 NE ARG A 150 8040 7462 4964 1641 1937 424 N ATOM 1018 CZ ARG A 150 1.666 6.180 20.472 1.00 64.79 C ANISOU 1018 CZ ARG A 150 12048 9918 2648 2446 2630 126 C ATOM 1019 NH1 ARG A 150 1.914 4.821 20.344 1.00 90.78 N ANISOU 1019 NH1 ARG A 150 13292 13155 8044 2175 -3839 -966 N ATOM 1020 NH2 ARG A 150 1.448 6.641 21.691 1.00 68.08 N ANISOU 1020 NH2 ARG A 150 12790 9431 3643 5467 1280 -1505 N ATOM 0 H ARG A 150 0.790 8.482 13.661 1.00 15.25 H new ATOM 0 HA ARG A 150 2.657 9.654 15.153 1.00 16.50 H new ATOM 0 HB2 ARG A 150 0.870 8.445 16.067 1.00 18.33 H new ATOM 0 HB3 ARG A 150 1.430 7.127 15.449 1.00 18.33 H new ATOM 0 HG2 ARG A 150 3.415 7.425 16.841 1.00 22.76 H new ATOM 0 HG3 ARG A 150 2.666 8.590 17.558 1.00 22.76 H new ATOM 0 HD2 ARG A 150 0.979 6.524 17.700 1.00 35.84 H new ATOM 0 HD3 ARG A 150 2.373 5.900 18.015 1.00 35.84 H new ATOM 0 HE ARG A 150 1.629 7.909 19.637 1.00 53.87 H new ATOM 0 HH11 ARG A 150 2.108 4.490 19.574 1.00 90.78 H new ATOM 0 HH12 ARG A 150 1.874 4.310 21.034 1.00 90.78 H new ATOM 0 HH21 ARG A 150 1.335 7.484 21.818 1.00 68.08 H new ATOM 0 HH22 ARG A 150 1.419 6.098 22.357 1.00 68.08 H new ATOM 1021 N ARG A 151 4.873 8.647 14.818 1.00 14.10 N ANISOU 1021 N ARG A 151 2341 2539 477 -409 151 -490 N ATOM 1022 CA ARG A 151 6.238 8.117 14.521 1.00 15.26 C ANISOU 1022 CA ARG A 151 2446 2553 800 -250 318 -461 C ATOM 1023 C ARG A 151 6.653 7.207 15.704 1.00 13.44 C ANISOU 1023 C ARG A 151 2158 2327 619 -623 338 -507 C ATOM 1024 O ARG A 151 6.664 7.703 16.878 1.00 15.80 O ANISOU 1024 O ARG A 151 3038 2286 678 -404 601 -637 O ATOM 1025 CB ARG A 151 7.264 9.206 14.431 1.00 14.37 C ANISOU 1025 CB ARG A 151 2379 2652 430 -223 813 -232 C ATOM 1026 CG ARG A 151 7.139 10.047 13.186 1.00 17.62 C ANISOU 1026 CG ARG A 151 3125 2679 891 -114 394 17 C ATOM 1027 CD ARG A 151 8.191 11.131 13.288 1.00 22.88 C ANISOU 1027 CD ARG A 151 3456 2674 2561 -121 266 -18 C ATOM 0 H ARG A 151 4.888 9.373 15.279 1.00 14.10 H new ATOM 0 HA ARG A 151 6.201 7.652 13.671 1.00 15.26 H new ATOM 0 HB2 ARG A 151 7.186 9.779 15.209 1.00 14.37 H new ATOM 0 HB3 ARG A 151 8.149 8.810 14.458 1.00 14.37 H new ATOM 0 HG2 ARG A 151 7.275 9.508 12.391 1.00 17.62 H new ATOM 0 HG3 ARG A 151 6.252 10.433 13.118 1.00 17.62 H new ATOM 1028 N PRO A 152 7.001 5.946 15.529 1.00 13.77 N ANISOU 1028 N PRO A 152 2320 2728 184 -219 81 -384 N ATOM 1029 CA PRO A 152 7.471 5.121 16.710 1.00 12.50 C ANISOU 1029 CA PRO A 152 2029 2444 274 -552 248 -180 C ATOM 1030 C PRO A 152 8.905 5.448 17.053 1.00 11.90 C ANISOU 1030 C PRO A 152 2239 1995 288 -699 353 -218 C ATOM 1031 O PRO A 152 9.767 5.586 16.122 1.00 14.11 O ANISOU 1031 O PRO A 152 1998 2788 573 -504 372 -55 O ATOM 1032 CB PRO A 152 7.360 3.702 16.072 1.00 14.11 C ANISOU 1032 CB PRO A 152 2137 2460 763 -829 647 -395 C ATOM 1033 CG PRO A 152 7.660 3.861 14.564 1.00 15.16 C ANISOU 1033 CG PRO A 152 2432 2727 600 -670 396 -630 C ATOM 1034 CD PRO A 152 6.955 5.199 14.265 1.00 13.26 C ANISOU 1034 CD PRO A 152 2138 2526 373 -487 624 -500 C ATOM 0 HA PRO A 152 6.982 5.249 17.538 1.00 12.50 H new ATOM 0 HB2 PRO A 152 7.989 3.090 16.485 1.00 14.11 H new ATOM 0 HB3 PRO A 152 6.474 3.332 16.209 1.00 14.11 H new ATOM 0 HG2 PRO A 152 8.612 3.898 14.381 1.00 15.16 H new ATOM 0 HG3 PRO A 152 7.299 3.130 14.039 1.00 15.16 H new ATOM 0 HD2 PRO A 152 7.406 5.682 13.555 1.00 13.26 H new ATOM 0 HD3 PRO A 152 6.041 5.057 13.975 1.00 13.26 H new ATOM 1035 N ASP A 153 9.258 5.376 18.291 1.00 13.99 N ANISOU 1035 N ASP A 153 2552 2535 226 -429 206 -241 N ATOM 1036 CA ASP A 153 10.642 5.471 18.606 1.00 13.12 C ANISOU 1036 CA ASP A 153 2373 2128 483 -436 410 -344 C ATOM 1037 C ASP A 153 11.402 4.200 18.283 1.00 12.57 C ANISOU 1037 C ASP A 153 2223 2269 283 -801 458 -496 C ATOM 1038 O ASP A 153 12.644 4.273 18.054 1.00 13.56 O ANISOU 1038 O ASP A 153 2061 2553 536 -704 507 -389 O ATOM 1039 CB ASP A 153 10.773 5.828 20.122 1.00 14.43 C ANISOU 1039 CB ASP A 153 2233 2791 459 -21 406 -386 C ATOM 1040 CG ASP A 153 12.214 5.797 20.597 1.00 13.73 C ANISOU 1040 CG ASP A 153 2324 2492 398 -265 340 -487 C ATOM 1041 OD1 ASP A 153 12.965 6.799 20.258 1.00 16.56 O ANISOU 1041 OD1 ASP A 153 2824 2783 684 -665 -42 -189 O ATOM 1042 OD2 ASP A 153 12.602 4.868 21.321 1.00 14.87 O ANISOU 1042 OD2 ASP A 153 2421 2986 243 -67 302 -79 O ATOM 0 H ASP A 153 8.726 5.274 18.959 1.00 13.99 H new ATOM 0 HA ASP A 153 11.039 6.165 18.057 1.00 13.12 H new ATOM 0 HB2 ASP A 153 10.402 6.711 20.278 1.00 14.43 H new ATOM 0 HB3 ASP A 153 10.248 5.203 20.646 1.00 14.43 H new ATOM 1043 N SER A 154 10.760 3.037 18.337 1.00 13.30 N ANISOU 1043 N SER A 154 1836 2269 949 -683 497 -270 N ATOM 1044 CA ASER A 154 11.554 1.848 18.098 0.50 13.26 C ANISOU 1044 CA ASER A 154 2058 2358 622 -376 99 -491 C ATOM 1045 CA BSER A 154 11.436 1.744 18.235 0.50 12.17 C ANISOU 1045 CA BSER A 154 1742 2208 672 -557 169 -361 C ATOM 1046 C SER A 154 11.060 1.060 16.889 1.00 12.22 C ANISOU 1046 C SER A 154 1846 2019 775 -812 484 -468 C ATOM 1047 O SER A 154 9.933 1.182 16.422 1.00 15.33 O ANISOU 1047 O SER A 154 2034 2708 1081 -794 509 -624 O ATOM 1048 CB ASER A 154 11.563 0.949 19.319 0.50 15.44 C ANISOU 1048 CB ASER A 154 2413 2829 623 -145 774 -253 C ATOM 1049 CB BSER A 154 11.119 0.850 19.510 0.50 12.82 C ANISOU 1049 CB BSER A 154 1748 2290 832 -456 -86 -105 C ATOM 1050 OG ASER A 154 10.251 0.514 19.444 0.50 17.16 O ANISOU 1050 OG ASER A 154 2623 3066 827 -530 936 331 O ATOM 1051 OG BSER A 154 11.852 1.216 20.754 0.50 13.26 O ANISOU 1051 OG BSER A 154 2742 2166 131 151 7 97 O ATOM 0 H ASER A 154 9.924 2.920 18.499 0.50 13.30 H new ATOM 0 H BSER A 154 9.908 2.974 18.435 0.50 13.30 H new ATOM 0 HA ASER A 154 12.457 2.150 17.913 0.50 12.17 H new ATOM 0 HA BSER A 154 12.398 1.870 18.228 0.50 12.17 H new ATOM 0 HB2ASER A 154 12.172 0.203 19.203 0.50 12.82 H new ATOM 0 HB2BSER A 154 10.167 0.898 19.689 0.50 12.82 H new ATOM 0 HB3ASER A 154 11.852 1.431 20.110 0.50 12.82 H new ATOM 0 HB3BSER A 154 11.321 -0.074 19.295 0.50 12.82 H new ATOM 0 HG ASER A 154 9.915 0.833 20.145 0.50 13.26 H new ATOM 0 HG BSER A 154 11.862 0.559 21.277 0.50 13.26 H new ATOM 1052 N LEU A 155 11.903 0.183 16.415 1.00 11.72 N ANISOU 1052 N LEU A 155 2072 2122 258 -380 393 -393 N ATOM 1053 CA LEU A 155 11.739 -0.560 15.174 1.00 11.99 C ANISOU 1053 CA LEU A 155 2192 1882 478 -745 326 -462 C ATOM 1054 C LEU A 155 10.535 -1.448 15.274 1.00 14.13 C ANISOU 1054 C LEU A 155 2176 2196 995 -997 255 -565 C ATOM 1055 O LEU A 155 10.353 -2.243 16.239 1.00 14.50 O ANISOU 1055 O LEU A 155 2173 2598 737 -503 571 -424 O ATOM 1056 CB LEU A 155 13.004 -1.392 14.862 1.00 13.88 C ANISOU 1056 CB LEU A 155 2456 2450 367 -566 462 -151 C ATOM 1057 CG LEU A 155 12.974 -2.118 13.507 1.00 13.14 C ANISOU 1057 CG LEU A 155 2374 2056 563 -824 596 -219 C ATOM 1058 CD1 LEU A 155 13.017 -1.113 12.358 1.00 11.91 C ANISOU 1058 CD1 LEU A 155 1758 2313 454 -544 341 -204 C ATOM 1059 CD2 LEU A 155 14.136 -3.079 13.464 1.00 15.08 C ANISOU 1059 CD2 LEU A 155 2321 2433 976 -687 392 -270 C ATOM 0 H LEU A 155 12.633 -0.015 16.824 1.00 11.72 H new ATOM 0 HA LEU A 155 11.609 0.069 14.447 1.00 11.99 H new ATOM 0 HB2 LEU A 155 13.776 -0.805 14.884 1.00 13.88 H new ATOM 0 HB3 LEU A 155 13.126 -2.049 15.565 1.00 13.88 H new ATOM 0 HG LEU A 155 12.148 -2.616 13.406 1.00 13.14 H new ATOM 0 HD11 LEU A 155 12.997 -1.587 11.512 1.00 11.91 H new ATOM 0 HD12 LEU A 155 12.249 -0.523 12.415 1.00 11.91 H new ATOM 0 HD13 LEU A 155 13.832 -0.590 12.416 1.00 11.91 H new ATOM 0 HD21 LEU A 155 14.136 -3.549 12.615 1.00 15.08 H new ATOM 0 HD22 LEU A 155 14.967 -2.587 13.561 1.00 15.08 H new ATOM 0 HD23 LEU A 155 14.053 -3.719 14.188 1.00 15.08 H new ATOM 1060 N GLN A 156 9.646 -1.421 14.296 1.00 14.00 N ANISOU 1060 N GLN A 156 1827 2764 726 -1154 656 -635 N ATOM 1061 CA GLN A 156 8.516 -2.262 14.147 1.00 14.58 C ANISOU 1061 CA GLN A 156 2156 2936 446 -1177 540 -443 C ATOM 1062 C GLN A 156 8.696 -3.252 13.007 1.00 15.91 C ANISOU 1062 C GLN A 156 2341 2780 922 -1239 936 -638 C ATOM 1063 O GLN A 156 9.472 -2.955 12.074 1.00 14.82 O ANISOU 1063 O GLN A 156 2166 2881 583 -998 723 -543 O ATOM 1064 CB GLN A 156 7.281 -1.400 13.852 1.00 15.64 C ANISOU 1064 CB GLN A 156 1821 2787 1333 -890 410 -569 C ATOM 1065 CG GLN A 156 7.038 -0.240 14.838 1.00 15.27 C ANISOU 1065 CG GLN A 156 2266 2806 730 -937 534 -470 C ATOM 1066 CD GLN A 156 6.750 -0.710 16.270 1.00 15.18 C ANISOU 1066 CD GLN A 156 2515 2273 978 -917 135 10 C ATOM 1067 OE1 GLN A 156 5.804 -1.426 16.472 1.00 19.54 O ANISOU 1067 OE1 GLN A 156 3005 2623 1794 -1003 917 -389 O ATOM 1068 NE2 GLN A 156 7.564 -0.276 17.196 1.00 16.52 N ANISOU 1068 NE2 GLN A 156 2603 2903 771 -372 560 -625 N ATOM 0 H GLN A 156 9.709 -0.853 13.653 1.00 14.00 H new ATOM 0 HA GLN A 156 8.406 -2.759 14.972 1.00 14.58 H new ATOM 0 HB2 GLN A 156 7.367 -1.033 12.958 1.00 15.64 H new ATOM 0 HB3 GLN A 156 6.498 -1.973 13.850 1.00 15.64 H new ATOM 0 HG2 GLN A 156 7.816 0.339 14.845 1.00 15.27 H new ATOM 0 HG3 GLN A 156 6.291 0.293 14.523 1.00 15.27 H new ATOM 0 HE21 GLN A 156 8.223 0.234 16.984 1.00 16.52 H new ATOM 0 HE22 GLN A 156 7.441 -0.501 18.017 1.00 16.52 H new ATOM 1069 N HIS A 157 7.891 -4.284 12.997 1.00 16.50 N ANISOU 1069 N HIS A 157 2470 2842 956 -1277 976 -1006 N ATOM 1070 CA HIS A 157 7.931 -5.143 11.805 1.00 15.75 C ANISOU 1070 CA HIS A 157 2057 2866 1061 -1100 782 -1088 C ATOM 1071 C HIS A 157 6.567 -5.832 11.582 1.00 17.31 C ANISOU 1071 C HIS A 157 2340 2832 1404 -1320 1096 -1478 C ATOM 1072 O HIS A 157 5.743 -5.869 12.490 1.00 17.74 O ANISOU 1072 O HIS A 157 2316 3444 980 -1217 809 -889 O ATOM 1073 CB HIS A 157 9.026 -6.181 11.914 1.00 20.35 C ANISOU 1073 CB HIS A 157 2774 3331 1626 -899 303 -870 C ATOM 1074 CG HIS A 157 8.652 -7.334 12.792 1.00 23.61 C ANISOU 1074 CG HIS A 157 2545 2995 3428 -922 949 -717 C ATOM 1075 ND1 HIS A 157 8.262 -8.562 12.295 1.00 28.44 N ANISOU 1075 ND1 HIS A 157 2706 2970 5127 -768 -564 -651 N ATOM 1076 CD2 HIS A 157 8.342 -7.361 14.120 1.00 25.71 C ANISOU 1076 CD2 HIS A 157 3707 2931 3129 -845 997 215 C ATOM 1077 CE1 HIS A 157 7.883 -9.332 13.312 1.00 32.19 C ANISOU 1077 CE1 HIS A 157 3287 3209 5735 -1363 438 -770 C ATOM 1078 NE2 HIS A 157 7.949 -8.633 14.430 1.00 28.49 N ANISOU 1078 NE2 HIS A 157 3300 3725 3797 -1144 255 670 N ATOM 0 H HIS A 157 7.341 -4.510 13.618 1.00 16.50 H new ATOM 0 HA HIS A 157 8.124 -4.577 11.041 1.00 15.75 H new ATOM 0 HB2 HIS A 157 9.241 -6.512 11.028 1.00 20.35 H new ATOM 0 HB3 HIS A 157 9.828 -5.762 12.263 1.00 20.35 H new ATOM 0 HD1 HIS A 157 8.264 -8.791 11.466 1.00 28.44 H new ATOM 0 HD2 HIS A 157 8.389 -6.643 14.709 1.00 25.71 H new ATOM 0 HE1 HIS A 157 7.615 -10.220 13.246 1.00 32.19 H new ATOM 1079 N VAL A 158 6.437 -6.405 10.380 1.00 15.92 N ANISOU 1079 N VAL A 158 2447 2642 959 -1239 764 -903 N ATOM 1080 CA VAL A 158 5.316 -7.197 10.051 1.00 17.81 C ANISOU 1080 CA VAL A 158 2604 3064 1096 -1282 795 -982 C ATOM 1081 C VAL A 158 5.645 -8.174 8.954 1.00 14.28 C ANISOU 1081 C VAL A 158 1960 2930 536 -1009 43 -701 C ATOM 1082 O VAL A 158 6.556 -7.934 8.117 1.00 17.11 O ANISOU 1082 O VAL A 158 2445 2796 1258 -1052 757 -845 O ATOM 1083 CB VAL A 158 4.174 -6.290 9.691 1.00 19.28 C ANISOU 1083 CB VAL A 158 2594 3045 1685 -488 528 -929 C ATOM 1084 CG1 VAL A 158 4.323 -5.576 8.355 1.00 19.40 C ANISOU 1084 CG1 VAL A 158 2500 3614 1257 -163 -670 -1417 C ATOM 1085 CG2 VAL A 158 2.838 -7.050 9.730 1.00 21.85 C ANISOU 1085 CG2 VAL A 158 2846 3748 1707 -479 109 -1027 C ATOM 0 H VAL A 158 7.015 -6.328 9.748 1.00 15.92 H new ATOM 0 HA VAL A 158 5.053 -7.733 10.815 1.00 17.81 H new ATOM 0 HB VAL A 158 4.186 -5.595 10.368 1.00 19.28 H new ATOM 0 HG11 VAL A 158 3.548 -5.014 8.200 1.00 19.40 H new ATOM 0 HG12 VAL A 158 5.122 -5.027 8.369 1.00 19.40 H new ATOM 0 HG13 VAL A 158 4.394 -6.232 7.644 1.00 19.40 H new ATOM 0 HG21 VAL A 158 2.115 -6.447 9.495 1.00 21.85 H new ATOM 0 HG22 VAL A 158 2.865 -7.784 9.097 1.00 21.85 H new ATOM 0 HG23 VAL A 158 2.690 -7.399 10.623 1.00 21.85 H new ATOM 1086 N LEU A 159 4.914 -9.274 8.931 1.00 15.07 N ANISOU 1086 N LEU A 159 2240 2538 947 -1028 378 -419 N ATOM 1087 CA LEU A 159 5.054 -10.264 7.914 1.00 14.68 C ANISOU 1087 CA LEU A 159 2222 1933 1423 -510 192 -236 C ATOM 1088 C LEU A 159 3.957 -10.124 6.904 1.00 17.34 C ANISOU 1088 C LEU A 159 2217 3026 1346 -543 39 -90 C ATOM 1089 O LEU A 159 2.807 -10.041 7.229 1.00 18.45 O ANISOU 1089 O LEU A 159 2452 3799 756 -1064 -181 -66 O ATOM 1090 CB LEU A 159 5.016 -11.678 8.492 1.00 17.57 C ANISOU 1090 CB LEU A 159 2962 2868 843 -1032 -334 388 C ATOM 1091 CG LEU A 159 6.200 -12.221 9.324 1.00 23.11 C ANISOU 1091 CG LEU A 159 3580 3925 1275 -1098 -748 903 C ATOM 1092 CD1 LEU A 159 5.695 -13.572 9.869 1.00 29.51 C ANISOU 1092 CD1 LEU A 159 3303 4293 3614 -811 -54 1995 C ATOM 1093 CD2 LEU A 159 7.399 -12.356 8.323 1.00 30.12 C ANISOU 1093 CD2 LEU A 159 3336 3869 4236 -693 -2 1374 C ATOM 0 H LEU A 159 4.316 -9.459 9.520 1.00 15.07 H new ATOM 0 HA LEU A 159 5.917 -10.125 7.493 1.00 14.68 H new ATOM 0 HB2 LEU A 159 4.224 -11.738 9.049 1.00 17.57 H new ATOM 0 HB3 LEU A 159 4.886 -12.287 7.748 1.00 17.57 H new ATOM 0 HG LEU A 159 6.496 -11.671 10.066 1.00 23.11 H new ATOM 0 HD11 LEU A 159 6.388 -13.983 10.409 1.00 29.51 H new ATOM 0 HD12 LEU A 159 4.905 -13.427 10.413 1.00 29.51 H new ATOM 0 HD13 LEU A 159 5.473 -14.158 9.128 1.00 29.51 H new ATOM 0 HD21 LEU A 159 8.177 -12.695 8.793 1.00 30.12 H new ATOM 0 HD22 LEU A 159 7.159 -12.969 7.611 1.00 30.12 H new ATOM 0 HD23 LEU A 159 7.604 -11.487 7.945 1.00 30.12 H new ATOM 1094 N LEU A 160 4.275 -10.047 5.634 1.00 13.58 N ANISOU 1094 N LEU A 160 1719 2213 1224 -473 -149 -284 N ATOM 1095 CA LEU A 160 3.343 -9.786 4.543 1.00 12.71 C ANISOU 1095 CA LEU A 160 1776 2119 933 -202 -103 -327 C ATOM 1096 C LEU A 160 3.525 -10.827 3.427 1.00 12.88 C ANISOU 1096 C LEU A 160 1668 2045 1178 -146 -360 -316 C ATOM 1097 O LEU A 160 4.658 -11.127 3.046 1.00 13.76 O ANISOU 1097 O LEU A 160 1726 2305 1195 -197 -225 -516 O ATOM 1098 CB LEU A 160 3.638 -8.427 3.905 1.00 14.98 C ANISOU 1098 CB LEU A 160 2319 2294 1076 -24 -78 -304 C ATOM 1099 CG LEU A 160 3.588 -7.215 4.795 1.00 14.70 C ANISOU 1099 CG LEU A 160 2047 2250 1288 -98 -342 -492 C ATOM 1100 CD1 LEU A 160 3.891 -5.915 4.065 1.00 15.69 C ANISOU 1100 CD1 LEU A 160 2321 2315 1324 198 -465 -235 C ATOM 1101 CD2 LEU A 160 2.255 -7.001 5.417 1.00 17.82 C ANISOU 1101 CD2 LEU A 160 2450 2374 1944 397 68 -611 C ATOM 0 H LEU A 160 5.084 -10.150 5.360 1.00 13.58 H new ATOM 0 HA LEU A 160 2.448 -9.816 4.915 1.00 12.71 H new ATOM 0 HB2 LEU A 160 4.521 -8.469 3.506 1.00 14.98 H new ATOM 0 HB3 LEU A 160 3.006 -8.293 3.181 1.00 14.98 H new ATOM 0 HG LEU A 160 4.265 -7.412 5.461 1.00 14.70 H new ATOM 0 HD11 LEU A 160 3.843 -5.174 4.689 1.00 15.69 H new ATOM 0 HD12 LEU A 160 4.781 -5.958 3.683 1.00 15.69 H new ATOM 0 HD13 LEU A 160 3.242 -5.782 3.357 1.00 15.69 H new ATOM 0 HD21 LEU A 160 2.282 -6.210 5.977 1.00 17.82 H new ATOM 0 HD22 LEU A 160 1.589 -6.882 4.722 1.00 17.82 H new ATOM 0 HD23 LEU A 160 2.023 -7.772 5.958 1.00 17.82 H new ATOM 1102 N PRO A 161 2.428 -11.386 2.950 1.00 13.21 N ANISOU 1102 N PRO A 161 1631 2151 1237 -133 -276 -503 N ATOM 1103 CA PRO A 161 2.495 -12.312 1.812 1.00 12.38 C ANISOU 1103 CA PRO A 161 1798 1758 1146 -221 -69 -298 C ATOM 1104 C PRO A 161 2.761 -11.499 0.499 1.00 12.06 C ANISOU 1104 C PRO A 161 1316 1736 1530 -27 -177 -122 C ATOM 1105 O PRO A 161 2.121 -10.530 0.246 1.00 11.75 O ANISOU 1105 O PRO A 161 1687 1853 923 7 -17 -335 O ATOM 1106 CB PRO A 161 1.132 -12.947 1.730 1.00 14.52 C ANISOU 1106 CB PRO A 161 2207 1836 1474 -621 39 -392 C ATOM 1107 CG PRO A 161 0.426 -12.512 2.901 1.00 21.14 C ANISOU 1107 CG PRO A 161 2114 3195 2724 -515 89 -1163 C ATOM 1108 CD PRO A 161 1.071 -11.328 3.506 1.00 13.61 C ANISOU 1108 CD PRO A 161 1785 2431 953 -279 -254 -260 C ATOM 0 HA PRO A 161 3.200 -12.969 1.918 1.00 12.38 H new ATOM 0 HB2 PRO A 161 0.669 -12.673 0.923 1.00 14.52 H new ATOM 0 HB3 PRO A 161 1.200 -13.914 1.704 1.00 14.52 H new ATOM 0 HG2 PRO A 161 -0.491 -12.300 2.668 1.00 21.14 H new ATOM 0 HG3 PRO A 161 0.395 -13.233 3.549 1.00 21.14 H new ATOM 0 HD2 PRO A 161 0.616 -10.506 3.264 1.00 13.61 H new ATOM 0 HD3 PRO A 161 1.075 -11.375 4.475 1.00 13.61 H new ATOM 1109 N VAL A 162 3.632 -12.073 -0.341 1.00 11.88 N ANISOU 1109 N VAL A 162 1807 1613 1091 48 -292 -68 N ATOM 1110 CA VAL A 162 3.797 -11.533 -1.659 1.00 11.18 C ANISOU 1110 CA VAL A 162 1537 1657 1054 0 -368 203 C ATOM 1111 C VAL A 162 2.469 -11.668 -2.471 1.00 11.35 C ANISOU 1111 C VAL A 162 1706 1350 1253 -92 -340 -454 C ATOM 1112 O VAL A 162 1.778 -12.691 -2.353 1.00 11.29 O ANISOU 1112 O VAL A 162 1753 1609 925 -320 -114 -137 O ATOM 1113 CB VAL A 162 4.951 -12.284 -2.389 1.00 12.77 C ANISOU 1113 CB VAL A 162 1986 1955 911 -8 -123 -70 C ATOM 1114 CG1 VAL A 162 5.079 -11.840 -3.873 1.00 15.38 C ANISOU 1114 CG1 VAL A 162 2406 2436 1002 377 -245 83 C ATOM 1115 CG2 VAL A 162 6.240 -11.922 -1.666 1.00 13.58 C ANISOU 1115 CG2 VAL A 162 1923 2431 804 -317 -99 166 C ATOM 0 H VAL A 162 4.118 -12.758 -0.158 1.00 11.88 H new ATOM 0 HA VAL A 162 4.021 -10.592 -1.590 1.00 11.18 H new ATOM 0 HB VAL A 162 4.772 -13.237 -2.378 1.00 12.77 H new ATOM 0 HG11 VAL A 162 5.805 -12.326 -4.295 1.00 15.38 H new ATOM 0 HG12 VAL A 162 4.250 -12.028 -4.340 1.00 15.38 H new ATOM 0 HG13 VAL A 162 5.263 -10.888 -3.912 1.00 15.38 H new ATOM 0 HG21 VAL A 162 6.987 -12.371 -2.091 1.00 13.58 H new ATOM 0 HG22 VAL A 162 6.375 -10.962 -1.706 1.00 13.58 H new ATOM 0 HG23 VAL A 162 6.181 -12.201 -0.739 1.00 13.58 H new ATOM 1116 N LEU A 163 2.147 -10.607 -3.213 1.00 11.44 N ANISOU 1116 N LEU A 163 1790 1322 1234 -114 -193 -405 N ATOM 1117 CA LEU A 163 0.889 -10.585 -4.001 1.00 11.94 C ANISOU 1117 CA LEU A 163 1616 1694 1227 -339 -206 129 C ATOM 1118 C LEU A 163 1.297 -10.846 -5.447 1.00 12.92 C ANISOU 1118 C LEU A 163 1597 1952 1358 -542 -357 518 C ATOM 1119 O LEU A 163 2.150 -10.127 -5.989 1.00 16.42 O ANISOU 1119 O LEU A 163 1889 3173 1176 -930 -323 472 O ATOM 1120 CB LEU A 163 0.219 -9.270 -3.791 1.00 13.86 C ANISOU 1120 CB LEU A 163 2051 1932 1280 -270 -527 -194 C ATOM 1121 CG LEU A 163 -1.046 -9.050 -4.574 1.00 15.38 C ANISOU 1121 CG LEU A 163 1771 1946 2124 -15 -168 -286 C ATOM 1122 CD1 LEU A 163 -2.089 -9.990 -4.151 1.00 17.73 C ANISOU 1122 CD1 LEU A 163 1931 2831 1971 -110 52 225 C ATOM 1123 CD2 LEU A 163 -1.389 -7.575 -4.678 1.00 18.01 C ANISOU 1123 CD2 LEU A 163 2269 2449 2125 188 -164 507 C ATOM 0 H LEU A 163 2.628 -9.897 -3.280 1.00 11.44 H new ATOM 0 HA LEU A 163 0.245 -11.259 -3.733 1.00 11.94 H new ATOM 0 HB2 LEU A 163 0.016 -9.176 -2.847 1.00 13.86 H new ATOM 0 HB3 LEU A 163 0.847 -8.566 -4.018 1.00 13.86 H new ATOM 0 HG LEU A 163 -0.925 -9.283 -5.508 1.00 15.38 H new ATOM 0 HD11 LEU A 163 -2.895 -9.832 -4.667 1.00 17.73 H new ATOM 0 HD12 LEU A 163 -1.784 -10.899 -4.298 1.00 17.73 H new ATOM 0 HD13 LEU A 163 -2.278 -9.861 -3.208 1.00 17.73 H new ATOM 0 HD21 LEU A 163 -2.208 -7.468 -5.187 1.00 18.01 H new ATOM 0 HD22 LEU A 163 -1.512 -7.208 -3.789 1.00 18.01 H new ATOM 0 HD23 LEU A 163 -0.667 -7.105 -5.125 1.00 18.01 H new ATOM 1124 N ASP A 164 0.586 -11.714 -6.094 1.00 13.04 N ANISOU 1124 N ASP A 164 2034 2046 870 -522 -82 283 N ATOM 1125 CA ASP A 164 0.968 -12.082 -7.513 1.00 14.38 C ANISOU 1125 CA ASP A 164 1948 2549 964 9 -87 225 C ATOM 1126 C ASP A 164 0.806 -10.876 -8.396 1.00 13.72 C ANISOU 1126 C ASP A 164 1521 2653 1038 -81 -519 279 C ATOM 1127 O ASP A 164 -0.049 -10.005 -8.231 1.00 12.20 O ANISOU 1127 O ASP A 164 1725 2202 708 -88 -262 310 O ATOM 1128 CB ASP A 164 0.055 -13.226 -7.982 1.00 16.61 C ANISOU 1128 CB ASP A 164 3111 2254 946 -179 -176 148 C ATOM 1129 CG ASP A 164 -1.379 -12.874 -8.167 1.00 16.30 C ANISOU 1129 CG ASP A 164 2526 2443 1223 -255 81 310 C ATOM 1130 OD1 ASP A 164 -2.173 -12.790 -7.214 1.00 20.77 O ANISOU 1130 OD1 ASP A 164 3469 2351 2072 -1176 861 -294 O ATOM 1131 OD2 ASP A 164 -1.807 -12.521 -9.332 1.00 18.17 O ANISOU 1131 OD2 ASP A 164 2886 2397 1618 -282 -341 156 O ATOM 0 H ASP A 164 -0.108 -12.115 -5.782 1.00 13.04 H new ATOM 0 HA ASP A 164 1.892 -12.373 -7.556 1.00 14.38 H new ATOM 0 HB2 ASP A 164 0.398 -13.567 -8.823 1.00 16.61 H new ATOM 0 HB3 ASP A 164 0.113 -13.949 -7.338 1.00 16.61 H new ATOM 1132 N ARG A 165 1.683 -10.802 -9.397 1.00 14.83 N ANISOU 1132 N ARG A 165 1765 2672 1197 206 -73 -2 N ATOM 1133 CA ARG A 165 1.711 -9.579 -10.255 1.00 16.39 C ANISOU 1133 CA ARG A 165 2037 2749 1442 490 3 319 C ATOM 1134 C ARG A 165 0.437 -9.362 -11.052 1.00 14.91 C ANISOU 1134 C ARG A 165 1621 2583 1459 -352 189 450 C ATOM 1135 O ARG A 165 0.033 -8.213 -11.195 1.00 13.71 O ANISOU 1135 O ARG A 165 2006 2222 980 -366 -279 261 O ATOM 1136 CB ARG A 165 2.916 -9.592 -11.182 1.00 20.32 C ANISOU 1136 CB ARG A 165 2379 4035 1306 243 312 749 C ATOM 1137 CG ARG A 165 3.269 -8.183 -11.856 1.00 24.11 C ANISOU 1137 CG ARG A 165 2872 4092 2195 -691 -424 337 C ATOM 1138 CD ARG A 165 4.580 -7.930 -12.710 1.00 23.26 C ANISOU 1138 CD ARG A 165 2605 3507 2725 -186 -552 -511 C ATOM 1139 NE ARG A 165 5.860 -7.949 -11.889 1.00 17.27 N ANISOU 1139 NE ARG A 165 2317 2634 1608 -217 -137 -337 N ATOM 1140 CZ ARG A 165 6.416 -9.124 -11.549 1.00 21.19 C ANISOU 1140 CZ ARG A 165 2179 3059 2812 306 60 -379 C ATOM 1141 NH1 ARG A 165 5.864 -10.281 -12.018 1.00 23.43 N ANISOU 1141 NH1 ARG A 165 4057 2895 1949 195 703 -504 N ATOM 1142 NH2 ARG A 165 7.430 -9.182 -10.645 1.00 21.32 N ANISOU 1142 NH2 ARG A 165 2159 2502 3438 428 -496 -677 N ATOM 0 H ARG A 165 2.253 -11.412 -9.602 1.00 14.83 H new ATOM 0 HA ARG A 165 1.782 -8.831 -9.642 1.00 16.39 H new ATOM 0 HB2 ARG A 165 3.688 -9.898 -10.681 1.00 20.32 H new ATOM 0 HB3 ARG A 165 2.759 -10.241 -11.885 1.00 20.32 H new ATOM 0 HG2 ARG A 165 2.520 -7.959 -12.431 1.00 24.11 H new ATOM 0 HG3 ARG A 165 3.280 -7.531 -11.138 1.00 24.11 H new ATOM 0 HD2 ARG A 165 4.640 -8.606 -13.403 1.00 23.26 H new ATOM 0 HD3 ARG A 165 4.505 -7.072 -13.156 1.00 23.26 H new ATOM 0 HE ARG A 165 6.226 -7.211 -11.643 1.00 17.27 H new ATOM 0 HH11 ARG A 165 5.169 -10.252 -12.524 1.00 23.43 H new ATOM 0 HH12 ARG A 165 6.211 -11.039 -11.807 1.00 23.43 H new ATOM 0 HH21 ARG A 165 7.724 -8.460 -10.282 1.00 21.32 H new ATOM 0 HH22 ARG A 165 7.777 -9.941 -10.436 1.00 21.32 H new ATOM 1143 N ALA A 166 -0.220 -10.424 -11.537 1.00 12.54 N ANISOU 1143 N ALA A 166 1713 2148 900 13 51 504 N ATOM 1144 CA ALA A 166 -1.451 -10.221 -12.279 1.00 13.63 C ANISOU 1144 CA ALA A 166 1931 2553 694 -107 -299 100 C ATOM 1145 C ALA A 166 -2.520 -9.550 -11.444 1.00 14.15 C ANISOU 1145 C ALA A 166 1793 2393 1189 -133 -225 177 C ATOM 1146 O ALA A 166 -3.184 -8.617 -11.868 1.00 15.13 O ANISOU 1146 O ALA A 166 1867 2720 1160 -175 -345 323 O ATOM 1147 CB ALA A 166 -1.992 -11.528 -12.906 1.00 15.49 C ANISOU 1147 CB ALA A 166 2819 2795 271 -250 -388 322 C ATOM 0 H ALA A 166 0.027 -11.243 -11.447 1.00 12.54 H new ATOM 0 HA ALA A 166 -1.221 -9.622 -13.007 1.00 13.63 H new ATOM 0 HB1 ALA A 166 -2.812 -11.340 -13.389 1.00 15.49 H new ATOM 0 HB2 ALA A 166 -1.333 -11.891 -13.518 1.00 15.49 H new ATOM 0 HB3 ALA A 166 -2.171 -12.174 -12.205 1.00 15.49 H new ATOM 1148 N THR A 167 -2.642 -9.940 -10.153 1.00 12.98 N ANISOU 1148 N THR A 167 1867 2049 1014 -563 -368 -52 N ATOM 1149 CA THR A 167 -3.636 -9.265 -9.337 1.00 14.88 C ANISOU 1149 CA THR A 167 1752 2291 1608 -235 -235 43 C ATOM 1150 C THR A 167 -3.202 -7.841 -9.101 1.00 12.59 C ANISOU 1150 C THR A 167 1538 2207 1036 -4 -114 -114 C ATOM 1151 O THR A 167 -4.037 -6.917 -9.176 1.00 14.48 O ANISOU 1151 O THR A 167 1823 2849 826 185 -268 -121 O ATOM 1152 CB THR A 167 -3.777 -9.984 -7.954 1.00 16.01 C ANISOU 1152 CB THR A 167 1678 2347 2056 -363 -308 408 C ATOM 1153 OG1 THR A 167 -4.246 -11.292 -8.164 1.00 18.68 O ANISOU 1153 OG1 THR A 167 2600 3112 1385 -1131 -447 702 O ATOM 1154 CG2 THR A 167 -4.709 -9.160 -7.142 1.00 17.49 C ANISOU 1154 CG2 THR A 167 2215 3173 1255 -278 -220 519 C ATOM 0 H THR A 167 -2.183 -10.555 -9.765 1.00 12.98 H new ATOM 0 HA THR A 167 -4.489 -9.285 -9.799 1.00 14.88 H new ATOM 0 HB THR A 167 -2.933 -10.065 -7.483 1.00 16.01 H new ATOM 0 HG1 THR A 167 -3.728 -11.839 -7.792 1.00 18.68 H new ATOM 0 HG21 THR A 167 -4.828 -9.569 -6.271 1.00 17.49 H new ATOM 0 HG22 THR A 167 -4.342 -8.269 -7.033 1.00 17.49 H new ATOM 0 HG23 THR A 167 -5.567 -9.103 -7.592 1.00 17.49 H new ATOM 1155 N CYS A 168 -1.899 -7.655 -8.822 1.00 11.51 N ANISOU 1155 N CYS A 168 1626 1825 922 -98 -364 54 N ATOM 1156 CA CYS A 168 -1.443 -6.326 -8.524 1.00 13.14 C ANISOU 1156 CA CYS A 168 2036 1704 1251 -59 -357 48 C ATOM 1157 C CYS A 168 -1.669 -5.334 -9.671 1.00 15.64 C ANISOU 1157 C CYS A 168 2517 1727 1698 -358 -467 240 C ATOM 1158 O CYS A 168 -1.837 -4.152 -9.456 1.00 15.90 O ANISOU 1158 O CYS A 168 2610 2088 1342 -61 -625 71 O ATOM 1159 CB CYS A 168 0.059 -6.382 -8.176 1.00 14.72 C ANISOU 1159 CB CYS A 168 2422 1924 1246 -232 -431 86 C ATOM 1160 SG CYS A 168 0.418 -4.992 -7.099 1.00 16.21 S ANISOU 1160 SG CYS A 168 2346 2304 1507 -124 -451 -103 S ATOM 0 H CYS A 168 -1.299 -8.271 -8.805 1.00 11.51 H new ATOM 0 HA CYS A 168 -1.966 -6.003 -7.774 1.00 13.14 H new ATOM 0 HB2 CYS A 168 0.276 -7.219 -7.736 1.00 14.72 H new ATOM 0 HB3 CYS A 168 0.597 -6.337 -8.982 1.00 14.72 H new ATOM 1161 N ASN A 169 -1.624 -5.860 -10.927 1.00 14.69 N ANISOU 1161 N ASN A 169 1971 2135 1473 102 -758 296 N ATOM 1162 CA ASN A 169 -1.826 -5.111 -12.158 1.00 14.55 C ANISOU 1162 CA ASN A 169 2283 1687 1556 -128 -613 251 C ATOM 1163 C ASN A 169 -3.244 -4.869 -12.505 1.00 15.79 C ANISOU 1163 C ASN A 169 2139 2296 1565 253 -695 205 C ATOM 1164 O ASN A 169 -3.545 -4.110 -13.456 1.00 19.30 O ANISOU 1164 O ASN A 169 3002 2468 1860 118 -703 519 O ATOM 1165 CB ASN A 169 -1.007 -5.747 -13.231 1.00 16.00 C ANISOU 1165 CB ASN A 169 2420 1998 1658 -242 -364 117 C ATOM 1166 CG ASN A 169 0.328 -5.109 -13.337 1.00 15.31 C ANISOU 1166 CG ASN A 169 2700 2287 828 -465 -565 559 C ATOM 1167 OD1 ASN A 169 0.493 -3.885 -13.102 1.00 17.98 O ANISOU 1167 OD1 ASN A 169 2732 2656 1445 -763 -517 677 O ATOM 1168 ND2 ASN A 169 1.290 -5.914 -13.671 1.00 17.22 N ANISOU 1168 ND2 ASN A 169 2316 2703 1522 -463 -389 305 N ATOM 0 H ASN A 169 -1.468 -6.694 -11.068 1.00 14.69 H new ATOM 0 HA ASN A 169 -1.510 -4.203 -12.032 1.00 14.55 H new ATOM 0 HB2 ASN A 169 -0.902 -6.693 -13.043 1.00 16.00 H new ATOM 0 HB3 ASN A 169 -1.471 -5.676 -14.080 1.00 16.00 H new ATOM 0 HD21 ASN A 169 2.094 -5.617 -13.742 1.00 17.22 H new ATOM 0 HD22 ASN A 169 1.123 -6.744 -13.821 1.00 17.22 H new ATOM 1169 N ARG A 170 -4.212 -5.503 -11.840 1.00 16.60 N ANISOU 1169 N ARG A 170 2190 2417 1699 -80 -1026 58 N ATOM 1170 CA ARG A 170 -5.660 -5.310 -12.254 1.00 17.89 C ANISOU 1170 CA ARG A 170 2198 3160 1437 -11 -917 755 C ATOM 1171 C ARG A 170 -6.031 -3.852 -12.123 1.00 21.39 C ANISOU 1171 C ARG A 170 2490 3378 2257 264 -1329 23 C ATOM 1172 O ARG A 170 -5.460 -3.102 -11.328 1.00 20.22 O ANISOU 1172 O ARG A 170 2522 2830 2330 295 -1032 -126 O ATOM 1173 CB ARG A 170 -6.589 -6.172 -11.406 1.00 21.34 C ANISOU 1173 CB ARG A 170 1987 3941 2180 -116 -335 575 C ATOM 1174 CG ARG A 170 -6.420 -7.622 -11.672 1.00 23.77 C ANISOU 1174 CG ARG A 170 2603 3857 2571 -756 -554 874 C ATOM 0 H ARG A 170 -4.087 -6.031 -11.173 1.00 16.60 H new ATOM 0 HA ARG A 170 -5.760 -5.586 -13.179 1.00 17.89 H new ATOM 0 HB2 ARG A 170 -6.420 -5.997 -10.467 1.00 21.34 H new ATOM 0 HB3 ARG A 170 -7.509 -5.919 -11.581 1.00 21.34 H new ATOM 1175 N ARG A 170A -7.073 -3.490 -12.910 1.00 26.00 N ANISOU 1175 N ARG A 170A 3364 4030 2485 1008 -1633 -6 N ATOM 1176 CA ARG A 170A -7.589 -2.102 -12.926 1.00 28.58 C ANISOU 1176 CA ARG A 170A 3577 3925 3358 1113 -1209 919 C ATOM 1177 C ARG A 170A -7.940 -1.676 -11.494 1.00 32.58 C ANISOU 1177 C ARG A 170A 4225 3748 4404 1425 -1809 -502 C ATOM 1178 O ARG A 170A -7.700 -0.524 -11.090 1.00 30.37 O ANISOU 1178 O ARG A 170A 4690 3438 3410 1516 -823 312 O ATOM 1179 CB ARG A 170A -8.845 -2.018 -13.812 1.00 26.39 C ANISOU 1179 CB ARG A 170A 2939 3763 3323 653 -938 -231 C ATOM 0 H ARG A 170A -7.488 -4.030 -13.435 1.00 26.00 H new ATOM 0 HA ARG A 170A -6.909 -1.511 -13.286 1.00 28.58 H new ATOM 1180 N THR A 170B -8.510 -2.636 -10.744 1.00 29.16 N ANISOU 1180 N THR A 170B 3210 5639 2229 1697 -1464 -1014 N ATOM 1181 CA THR A 170B -8.867 -2.409 -9.312 1.00 31.99 C ANISOU 1181 CA THR A 170B 3497 6047 2607 1327 -1240 -718 C ATOM 1182 C THR A 170B -7.696 -2.088 -8.339 1.00 28.01 C ANISOU 1182 C THR A 170B 2358 4632 3650 959 -842 -1080 C ATOM 1183 O THR A 170B -7.898 -1.443 -7.285 1.00 29.54 O ANISOU 1183 O THR A 170B 2899 4975 3346 1617 -408 -915 O ATOM 1184 CB THR A 170B -9.656 -3.606 -8.741 1.00 31.88 C ANISOU 1184 CB THR A 170B 2773 5632 3707 576 -1395 -997 C ATOM 1185 OG1 THR A 170B -8.904 -4.799 -8.908 1.00 28.86 O ANISOU 1185 OG1 THR A 170B 2663 5917 2383 363 -760 438 O ATOM 1186 CG2 THR A 170B -11.005 -3.715 -9.428 1.00 33.52 C ANISOU 1186 CG2 THR A 170B 2535 6332 3868 744 -1134 -1126 C ATOM 0 H THR A 170B -8.700 -3.422 -11.036 1.00 29.16 H new ATOM 0 HA THR A 170B -9.404 -1.602 -9.353 1.00 31.99 H new ATOM 0 HB THR A 170B -9.809 -3.469 -7.793 1.00 31.88 H new ATOM 0 HG1 THR A 170B -8.270 -4.810 -8.357 1.00 28.86 H new ATOM 0 HG21 THR A 170B -11.494 -4.469 -9.063 1.00 33.52 H new ATOM 0 HG22 THR A 170B -11.510 -2.900 -9.280 1.00 33.52 H new ATOM 0 HG23 THR A 170B -10.874 -3.845 -10.380 1.00 33.52 H new ATOM 1187 N HIS A 171 -6.518 -2.544 -8.725 1.00 23.85 N ANISOU 1187 N HIS A 171 2142 3651 3267 938 -785 -387 N ATOM 1188 CA HIS A 171 -5.318 -2.447 -7.923 1.00 18.04 C ANISOU 1188 CA HIS A 171 2202 3003 1649 486 -217 -26 C ATOM 1189 C HIS A 171 -4.466 -1.363 -8.556 1.00 19.18 C ANISOU 1189 C HIS A 171 2649 2369 2268 457 -703 -98 C ATOM 1190 O HIS A 171 -4.809 -0.180 -8.435 1.00 24.04 O ANISOU 1190 O HIS A 171 3867 2588 2678 905 -45 332 O ATOM 1191 CB HIS A 171 -4.675 -3.820 -7.765 1.00 17.40 C ANISOU 1191 CB HIS A 171 2324 2548 1737 154 -568 -219 C ATOM 1192 CG HIS A 171 -5.468 -4.761 -6.928 1.00 18.40 C ANISOU 1192 CG HIS A 171 1818 3174 1998 275 182 -214 C ATOM 1193 ND1 HIS A 171 -6.695 -5.247 -7.264 1.00 22.19 N ANISOU 1193 ND1 HIS A 171 2343 3616 2470 -287 -151 304 N ATOM 1194 CD2 HIS A 171 -5.163 -5.347 -5.739 1.00 20.42 C ANISOU 1194 CD2 HIS A 171 2798 2757 2203 -47 -717 -132 C ATOM 1195 CE1 HIS A 171 -7.153 -6.059 -6.329 1.00 20.97 C ANISOU 1195 CE1 HIS A 171 1909 3205 2853 -405 -656 334 C ATOM 1196 NE2 HIS A 171 -6.236 -6.131 -5.376 1.00 21.62 N ANISOU 1196 NE2 HIS A 171 2144 2875 3195 40 -789 -697 N ATOM 0 H HIS A 171 -6.392 -2.930 -9.483 1.00 23.85 H new ATOM 0 HA HIS A 171 -5.481 -2.179 -7.005 1.00 18.04 H new ATOM 0 HB2 HIS A 171 -4.547 -4.211 -8.643 1.00 17.40 H new ATOM 0 HB3 HIS A 171 -3.795 -3.713 -7.371 1.00 17.40 H new ATOM 0 HD2 HIS A 171 -4.374 -5.238 -5.259 1.00 20.42 H new ATOM 0 HE1 HIS A 171 -7.971 -6.501 -6.338 1.00 20.97 H new ATOM 0 HE2 HIS A 171 -6.300 -6.590 -4.652 1.00 21.62 H new ATOM 1197 N HIS A 172 -3.305 -1.721 -9.098 1.00 17.88 N ANISOU 1197 N HIS A 172 2411 2174 2208 483 -897 -149 N ATOM 1198 CA HIS A 172 -2.369 -0.694 -9.617 1.00 19.25 C ANISOU 1198 CA HIS A 172 3269 2326 1717 147 -804 490 C ATOM 1199 C HIS A 172 -2.408 -0.526 -11.167 1.00 21.17 C ANISOU 1199 C HIS A 172 4024 2284 1735 117 -809 -254 C ATOM 1200 O HIS A 172 -1.532 0.186 -11.651 1.00 22.94 O ANISOU 1200 O HIS A 172 4022 2976 1717 -190 -810 320 O ATOM 1201 CB HIS A 172 -0.953 -0.942 -9.141 1.00 17.76 C ANISOU 1201 CB HIS A 172 2746 2234 1768 27 -505 -244 C ATOM 1202 CG HIS A 172 -0.809 -0.685 -7.675 1.00 16.12 C ANISOU 1202 CG HIS A 172 2147 2149 1828 304 -375 19 C ATOM 1203 ND1 HIS A 172 -1.162 0.530 -7.126 1.00 17.53 N ANISOU 1203 ND1 HIS A 172 2499 2275 1886 350 -680 -72 N ATOM 1204 CD2 HIS A 172 -0.270 -1.421 -6.642 1.00 15.10 C ANISOU 1204 CD2 HIS A 172 1829 2216 1689 -231 -195 -39 C ATOM 1205 CE1 HIS A 172 -0.867 0.503 -5.839 1.00 18.08 C ANISOU 1205 CE1 HIS A 172 2551 2460 1857 115 -697 -585 C ATOM 1206 NE2 HIS A 172 -0.343 -0.663 -5.516 1.00 17.35 N ANISOU 1206 NE2 HIS A 172 2044 2604 1945 -131 -375 -327 N ATOM 0 H HIS A 172 -3.034 -2.533 -9.179 1.00 17.88 H new ATOM 0 HA HIS A 172 -2.682 0.146 -9.247 1.00 19.25 H new ATOM 0 HB2 HIS A 172 -0.702 -1.859 -9.335 1.00 17.76 H new ATOM 0 HB3 HIS A 172 -0.342 -0.370 -9.632 1.00 17.76 H new ATOM 0 HD2 HIS A 172 0.080 -2.280 -6.704 1.00 15.10 H new ATOM 0 HE1 HIS A 172 -1.008 1.205 -5.246 1.00 18.08 H new ATOM 0 HE2 HIS A 172 -0.091 -0.902 -4.729 1.00 17.35 H new ATOM 1207 N ASP A 173 -3.355 -1.175 -11.805 1.00 19.44 N ANISOU 1207 N ASP A 173 3187 2593 1606 532 -759 -173 N ATOM 1208 CA ASP A 173 -3.795 -0.820 -13.163 1.00 22.50 C ANISOU 1208 CA ASP A 173 3716 2678 2154 431 -1440 89 C ATOM 1209 C ASP A 173 -2.608 -0.776 -14.182 1.00 21.87 C ANISOU 1209 C ASP A 173 3998 2351 1959 504 -1281 483 C ATOM 1210 O ASP A 173 -2.363 0.218 -14.826 1.00 27.67 O ANISOU 1210 O ASP A 173 4998 3267 2246 413 -925 1404 O ATOM 1211 CB ASP A 173 -4.593 0.494 -13.132 1.00 25.88 C ANISOU 1211 CB ASP A 173 3590 3102 3139 565 -1281 382 C ATOM 1212 CG ASP A 173 -5.353 0.804 -14.430 1.00 29.62 C ANISOU 1212 CG ASP A 173 4925 2795 3534 505 -1729 1107 C ATOM 1213 OD1 ASP A 173 -5.541 -0.172 -15.149 1.00 29.55 O ANISOU 1213 OD1 ASP A 173 5252 3271 2704 821 -933 190 O ATOM 1214 OD2 ASP A 173 -5.697 1.997 -14.703 1.00 39.29 O ANISOU 1214 OD2 ASP A 173 5844 3625 5458 1880 -1798 1232 O ATOM 0 H ASP A 173 -3.775 -1.846 -11.469 1.00 19.44 H new ATOM 0 HA ASP A 173 -4.384 -1.521 -13.483 1.00 22.50 H new ATOM 0 HB2 ASP A 173 -5.227 0.457 -12.399 1.00 25.88 H new ATOM 0 HB3 ASP A 173 -3.984 1.225 -12.944 1.00 25.88 H new ATOM 1215 N GLY A 174 -1.859 -1.832 -14.233 1.00 18.11 N ANISOU 1215 N GLY A 174 2957 2552 1369 152 -739 0 N ATOM 1216 CA GLY A 174 -0.751 -2.049 -15.184 1.00 20.06 C ANISOU 1216 CA GLY A 174 3375 2844 1402 -8 -139 230 C ATOM 1217 C GLY A 174 0.551 -1.318 -14.890 1.00 21.37 C ANISOU 1217 C GLY A 174 3336 2771 2013 -338 -169 561 C ATOM 1218 O GLY A 174 1.495 -1.452 -15.611 1.00 24.22 O ANISOU 1218 O GLY A 174 3624 3865 1711 -305 -4 620 O ATOM 0 H GLY A 174 -1.968 -2.494 -13.695 1.00 18.11 H new ATOM 0 HA2 GLY A 174 -0.564 -3.000 -15.219 1.00 20.06 H new ATOM 0 HA3 GLY A 174 -1.054 -1.786 -16.067 1.00 20.06 H new ATOM 1219 N ALA A 175 0.686 -0.746 -13.698 1.00 21.61 N ANISOU 1219 N ALA A 175 3200 3082 1929 -138 -980 738 N ATOM 1220 CA ALA A 175 1.916 -0.001 -13.388 1.00 24.01 C ANISOU 1220 CA ALA A 175 3712 2947 2463 -771 244 148 C ATOM 1221 C ALA A 175 3.031 -0.906 -12.868 1.00 21.70 C ANISOU 1221 C ALA A 175 3476 2836 1932 -1128 -175 73 C ATOM 1222 O ALA A 175 4.169 -0.455 -12.574 1.00 21.68 O ANISOU 1222 O ALA A 175 3658 2866 1712 -1119 -45 106 O ATOM 1223 CB ALA A 175 1.592 1.127 -12.400 1.00 24.91 C ANISOU 1223 CB ALA A 175 4207 2803 2453 27 -394 645 C ATOM 0 H ALA A 175 0.101 -0.772 -13.068 1.00 21.61 H new ATOM 0 HA ALA A 175 2.253 0.386 -14.211 1.00 24.01 H new ATOM 0 HB1 ALA A 175 2.402 1.620 -12.194 1.00 24.91 H new ATOM 0 HB2 ALA A 175 0.941 1.727 -12.796 1.00 24.91 H new ATOM 0 HB3 ALA A 175 1.228 0.748 -11.584 1.00 24.91 H new ATOM 1224 N ILE A 176 2.739 -2.163 -12.553 1.00 15.68 N ANISOU 1224 N ILE A 176 2626 2240 1089 -437 -642 -72 N ATOM 1225 CA ILE A 176 3.718 -3.040 -11.944 1.00 16.22 C ANISOU 1225 CA ILE A 176 2548 2498 1115 -396 -678 377 C ATOM 1226 C ILE A 176 4.529 -3.736 -13.009 1.00 19.28 C ANISOU 1226 C ILE A 176 2749 2952 1621 -506 -874 -161 C ATOM 1227 O ILE A 176 4.056 -4.709 -13.584 1.00 19.93 O ANISOU 1227 O ILE A 176 3142 3085 1345 -1025 26 -78 O ATOM 1228 CB ILE A 176 3.120 -4.030 -10.935 1.00 17.09 C ANISOU 1228 CB ILE A 176 2110 2635 1746 -353 -415 330 C ATOM 1229 CG1 ILE A 176 2.078 -3.323 -9.981 1.00 15.41 C ANISOU 1229 CG1 ILE A 176 1669 2513 1671 -148 -453 391 C ATOM 1230 CG2 ILE A 176 4.198 -4.755 -10.166 1.00 16.15 C ANISOU 1230 CG2 ILE A 176 2129 2781 1226 -212 -273 95 C ATOM 1231 CD1 ILE A 176 2.714 -2.154 -9.199 1.00 17.68 C ANISOU 1231 CD1 ILE A 176 2115 3170 1433 -222 -181 -2 C ATOM 0 H ILE A 176 1.971 -2.526 -12.687 1.00 15.68 H new ATOM 0 HA ILE A 176 4.310 -2.479 -11.419 1.00 16.22 H new ATOM 0 HB ILE A 176 2.632 -4.703 -11.436 1.00 17.09 H new ATOM 0 HG12 ILE A 176 1.332 -2.993 -10.506 1.00 15.41 H new ATOM 0 HG13 ILE A 176 1.720 -3.973 -9.356 1.00 15.41 H new ATOM 0 HG21 ILE A 176 3.789 -5.371 -9.538 1.00 16.15 H new ATOM 0 HG22 ILE A 176 4.760 -5.248 -10.784 1.00 16.15 H new ATOM 0 HG23 ILE A 176 4.738 -4.112 -9.681 1.00 16.15 H new ATOM 0 HD11 ILE A 176 2.046 -1.746 -8.626 1.00 17.68 H new ATOM 0 HD12 ILE A 176 3.445 -2.488 -8.656 1.00 17.68 H new ATOM 0 HD13 ILE A 176 3.051 -1.493 -9.823 1.00 17.68 H new ATOM 1232 N THR A 177 5.713 -3.195 -13.289 1.00 14.02 N ANISOU 1232 N THR A 177 2568 2229 528 -190 -546 -239 N ATOM 1233 CA THR A 177 6.640 -3.753 -14.270 1.00 16.44 C ANISOU 1233 CA THR A 177 2439 2595 1213 -105 -858 -315 C ATOM 1234 C THR A 177 7.297 -5.007 -13.726 1.00 13.33 C ANISOU 1234 C THR A 177 2055 2290 720 23 -611 -34 C ATOM 1235 O THR A 177 7.232 -5.336 -12.492 1.00 14.21 O ANISOU 1235 O THR A 177 2170 2666 560 -70 -459 -84 O ATOM 1236 CB THR A 177 7.759 -2.729 -14.623 1.00 14.73 C ANISOU 1236 CB THR A 177 1943 2842 812 170 -534 -415 C ATOM 1237 OG1 THR A 177 8.613 -2.643 -13.461 1.00 15.34 O ANISOU 1237 OG1 THR A 177 2595 2547 686 -160 -801 237 O ATOM 1238 CG2 THR A 177 7.165 -1.334 -15.008 1.00 18.32 C ANISOU 1238 CG2 THR A 177 2375 3572 1011 143 -599 848 C ATOM 0 H THR A 177 6.004 -2.481 -12.908 1.00 14.02 H new ATOM 0 HA THR A 177 6.128 -3.964 -15.066 1.00 16.44 H new ATOM 0 HB THR A 177 8.261 -3.020 -15.400 1.00 14.73 H new ATOM 0 HG1 THR A 177 8.965 -1.881 -13.427 1.00 15.34 H new ATOM 0 HG21 THR A 177 7.887 -0.722 -15.221 1.00 18.32 H new ATOM 0 HG22 THR A 177 6.585 -1.431 -15.780 1.00 18.32 H new ATOM 0 HG23 THR A 177 6.654 -0.983 -14.262 1.00 18.32 H new ATOM 1239 N GLU A 178 8.117 -5.670 -14.518 1.00 14.41 N ANISOU 1239 N GLU A 178 2604 2296 573 -73 -437 -470 N ATOM 1240 CA GLU A 178 8.846 -6.831 -14.116 1.00 14.46 C ANISOU 1240 CA GLU A 178 2543 2013 939 -338 -196 -346 C ATOM 1241 C GLU A 178 9.863 -6.510 -13.028 1.00 14.71 C ANISOU 1241 C GLU A 178 2042 2577 968 -100 -80 -423 C ATOM 1242 O GLU A 178 10.454 -7.418 -12.402 1.00 15.92 O ANISOU 1242 O GLU A 178 2249 2632 1164 67 152 -483 O ATOM 1243 CB GLU A 178 9.531 -7.553 -15.251 1.00 19.77 C ANISOU 1243 CB GLU A 178 3632 2465 1413 -149 -344 -818 C ATOM 1244 CG GLU A 178 10.668 -6.873 -15.930 1.00 24.96 C ANISOU 1244 CG GLU A 178 3456 3720 2306 -327 -463 -1019 C ATOM 1245 CD GLU A 178 11.460 -7.903 -16.760 1.00 34.73 C ANISOU 1245 CD GLU A 178 3828 5407 3961 263 455 -1479 C ATOM 1246 OE1 GLU A 178 10.775 -8.612 -17.547 1.00 42.27 O ANISOU 1246 OE1 GLU A 178 5909 8214 1936 -436 -299 -1429 O ATOM 1247 OE2 GLU A 178 12.742 -8.033 -16.577 1.00 26.85 O ANISOU 1247 OE2 GLU A 178 4066 4259 1875 367 -287 -559 O ATOM 0 H GLU A 178 8.264 -5.441 -15.334 1.00 14.41 H new ATOM 0 HA GLU A 178 8.172 -7.433 -13.764 1.00 14.46 H new ATOM 0 HB2 GLU A 178 9.854 -8.402 -14.911 1.00 19.77 H new ATOM 0 HB3 GLU A 178 8.861 -7.753 -15.923 1.00 19.77 H new ATOM 0 HG2 GLU A 178 10.338 -6.165 -16.505 1.00 24.96 H new ATOM 0 HG3 GLU A 178 11.248 -6.457 -15.273 1.00 24.96 H new ATOM 1248 N ARG A 179 10.231 -5.252 -12.907 1.00 13.30 N ANISOU 1248 N ARG A 179 2110 2532 408 -309 -160 -290 N ATOM 1249 CA ARG A 179 11.264 -4.825 -11.956 1.00 11.17 C ANISOU 1249 CA ARG A 179 1952 1881 408 112 -181 -461 C ATOM 1250 C ARG A 179 10.729 -4.474 -10.587 1.00 11.82 C ANISOU 1250 C ARG A 179 1857 2191 441 319 -44 -252 C ATOM 1251 O ARG A 179 11.513 -4.157 -9.689 1.00 11.89 O ANISOU 1251 O ARG A 179 1751 2294 471 1 -117 172 O ATOM 1252 CB ARG A 179 12.065 -3.627 -12.537 1.00 12.48 C ANISOU 1252 CB ARG A 179 1983 2148 608 -37 -269 -177 C ATOM 1253 CG ARG A 179 12.446 -3.849 -14.107 1.00 14.26 C ANISOU 1253 CG ARG A 179 1822 2931 665 -101 -44 20 C ATOM 1254 CD ARG A 179 13.409 -2.835 -14.549 1.00 14.76 C ANISOU 1254 CD ARG A 179 1967 2772 866 -209 266 -395 C ATOM 1255 NE ARG A 179 14.812 -3.153 -14.225 1.00 13.82 N ANISOU 1255 NE ARG A 179 2197 2871 181 71 52 -219 N ATOM 1256 CZ ARG A 179 15.867 -2.399 -14.567 1.00 14.24 C ANISOU 1256 CZ ARG A 179 2285 2720 404 99 -120 135 C ATOM 1257 NH1 ARG A 179 15.716 -1.403 -15.386 1.00 18.22 N ANISOU 1257 NH1 ARG A 179 2285 3406 1229 127 72 786 N ATOM 1258 NH2 ARG A 179 17.068 -2.739 -14.292 1.00 16.48 N ANISOU 1258 NH2 ARG A 179 2316 2580 1363 -175 -255 0 N ATOM 0 H ARG A 179 9.894 -4.611 -13.371 1.00 13.30 H new ATOM 0 HA ARG A 179 11.847 -5.590 -11.831 1.00 11.17 H new ATOM 0 HB2 ARG A 179 11.543 -2.815 -12.444 1.00 12.48 H new ATOM 0 HB3 ARG A 179 12.878 -3.503 -12.022 1.00 12.48 H new ATOM 0 HG2 ARG A 179 12.820 -4.735 -14.233 1.00 14.26 H new ATOM 0 HG3 ARG A 179 11.644 -3.800 -14.650 1.00 14.26 H new ATOM 0 HD2 ARG A 179 13.327 -2.722 -15.509 1.00 14.76 H new ATOM 0 HD3 ARG A 179 13.178 -1.985 -14.142 1.00 14.76 H new ATOM 0 HE ARG A 179 14.965 -3.875 -13.784 1.00 13.82 H new ATOM 0 HH11 ARG A 179 14.939 -1.226 -15.710 1.00 18.22 H new ATOM 0 HH12 ARG A 179 16.393 -0.920 -15.605 1.00 18.22 H new ATOM 0 HH21 ARG A 179 17.222 -3.474 -13.873 1.00 16.48 H new ATOM 0 HH22 ARG A 179 17.723 -2.232 -14.526 1.00 16.48 H new ATOM 1259 N LEU A 180 9.416 -4.609 -10.429 1.00 10.95 N ANISOU 1259 N LEU A 180 1944 2040 175 11 -232 -193 N ATOM 1260 CA LEU A 180 8.705 -4.328 -9.155 1.00 10.95 C ANISOU 1260 CA LEU A 180 1789 2045 325 -139 65 -227 C ATOM 1261 C LEU A 180 7.998 -5.592 -8.766 1.00 12.32 C ANISOU 1261 C LEU A 180 1791 2284 604 -107 -69 -137 C ATOM 1262 O LEU A 180 7.688 -6.504 -9.508 1.00 12.98 O ANISOU 1262 O LEU A 180 2370 2012 550 125 -304 -22 O ATOM 1263 CB LEU A 180 7.642 -3.239 -9.454 1.00 12.92 C ANISOU 1263 CB LEU A 180 1433 2394 1080 -212 -213 -76 C ATOM 1264 CG LEU A 180 8.231 -1.908 -9.821 1.00 11.63 C ANISOU 1264 CG LEU A 180 1689 2002 727 13 -200 -133 C ATOM 1265 CD1 LEU A 180 7.105 -0.952 -10.250 1.00 14.37 C ANISOU 1265 CD1 LEU A 180 2093 2338 1026 3 -504 161 C ATOM 1266 CD2 LEU A 180 9.061 -1.286 -8.762 1.00 13.03 C ANISOU 1266 CD2 LEU A 180 1655 2218 1076 -77 -508 -134 C ATOM 0 H LEU A 180 8.894 -4.870 -11.061 1.00 10.95 H new ATOM 0 HA LEU A 180 9.307 -4.035 -8.453 1.00 10.95 H new ATOM 0 HB2 LEU A 180 7.073 -3.543 -10.179 1.00 12.92 H new ATOM 0 HB3 LEU A 180 7.075 -3.129 -8.675 1.00 12.92 H new ATOM 0 HG LEU A 180 8.841 -2.075 -10.556 1.00 11.63 H new ATOM 0 HD11 LEU A 180 7.484 -0.091 -10.488 1.00 14.37 H new ATOM 0 HD12 LEU A 180 6.640 -1.323 -11.016 1.00 14.37 H new ATOM 0 HD13 LEU A 180 6.480 -0.838 -9.517 1.00 14.37 H new ATOM 0 HD21 LEU A 180 9.402 -0.434 -9.076 1.00 13.03 H new ATOM 0 HD22 LEU A 180 8.521 -1.145 -7.969 1.00 13.03 H new ATOM 0 HD23 LEU A 180 9.804 -1.872 -8.547 1.00 13.03 H new ATOM 1267 N MET A 181 7.681 -5.619 -7.461 1.00 10.65 N ANISOU 1267 N MET A 181 1590 1871 586 -193 94 -218 N ATOM 1268 CA MET A 181 6.921 -6.664 -6.864 1.00 11.70 C ANISOU 1268 CA MET A 181 1793 1629 1022 -89 278 -443 C ATOM 1269 C MET A 181 5.897 -6.083 -5.863 1.00 10.38 C ANISOU 1269 C MET A 181 1409 1909 623 -115 -2 -355 C ATOM 1270 O MET A 181 6.159 -4.943 -5.367 1.00 11.99 O ANISOU 1270 O MET A 181 1629 1993 933 -441 52 -362 O ATOM 1271 CB MET A 181 7.731 -7.779 -6.191 1.00 13.45 C ANISOU 1271 CB MET A 181 2020 2073 1016 140 -56 -232 C ATOM 1272 CG MET A 181 8.504 -7.286 -4.978 1.00 13.07 C ANISOU 1272 CG MET A 181 1959 2269 736 -28 98 -29 C ATOM 1273 SD MET A 181 9.646 -8.488 -4.263 1.00 14.64 S ANISOU 1273 SD MET A 181 2017 2412 1132 -35 89 87 S ATOM 1274 CE MET A 181 8.450 -9.653 -3.508 1.00 15.73 C ANISOU 1274 CE MET A 181 2405 2511 1059 -182 108 293 C ATOM 0 H MET A 181 7.919 -5.006 -6.907 1.00 10.65 H new ATOM 0 HA MET A 181 6.474 -7.093 -7.611 1.00 11.70 H new ATOM 0 HB2 MET A 181 7.132 -8.492 -5.921 1.00 13.45 H new ATOM 0 HB3 MET A 181 8.351 -8.158 -6.834 1.00 13.45 H new ATOM 0 HG2 MET A 181 9.005 -6.494 -5.230 1.00 13.07 H new ATOM 0 HG3 MET A 181 7.870 -7.016 -4.295 1.00 13.07 H new ATOM 0 HE1 MET A 181 8.931 -10.366 -3.060 1.00 15.73 H new ATOM 0 HE2 MET A 181 7.900 -9.180 -2.864 1.00 15.73 H new ATOM 0 HE3 MET A 181 7.885 -10.030 -4.200 1.00 15.73 H new ATOM 1275 N CYS A 182 4.823 -6.806 -5.586 1.00 10.22 N ANISOU 1275 N CYS A 182 1588 1514 780 -81 -96 -228 N ATOM 1276 CA CYS A 182 3.864 -6.283 -4.616 1.00 10.30 C ANISOU 1276 CA CYS A 182 1559 1340 1013 17 5 -211 C ATOM 1277 C CYS A 182 3.730 -7.264 -3.452 1.00 10.84 C ANISOU 1277 C CYS A 182 1511 1535 1072 -407 35 -320 C ATOM 1278 O CYS A 182 3.996 -8.440 -3.527 1.00 11.54 O ANISOU 1278 O CYS A 182 1698 1561 1124 -347 -60 -22 O ATOM 1279 CB CYS A 182 2.478 -6.237 -5.239 1.00 13.69 C ANISOU 1279 CB CYS A 182 2038 2237 926 -64 35 96 C ATOM 1280 SG CYS A 182 2.444 -5.154 -6.696 1.00 15.45 S ANISOU 1280 SG CYS A 182 2153 2432 1282 -179 -255 397 S ATOM 0 H CYS A 182 4.632 -7.571 -5.930 1.00 10.22 H new ATOM 0 HA CYS A 182 4.173 -5.408 -4.334 1.00 10.30 H new ATOM 0 HB2 CYS A 182 2.206 -7.133 -5.493 1.00 13.69 H new ATOM 0 HB3 CYS A 182 1.837 -5.921 -4.583 1.00 13.69 H new ATOM 1281 N ALA A 183 3.262 -6.675 -2.324 1.00 10.86 N ANISOU 1281 N ALA A 183 1679 1522 924 -174 18 -145 N ATOM 1282 CA ALA A 183 2.853 -7.463 -1.178 1.00 11.19 C ANISOU 1282 CA ALA A 183 1408 1827 1014 -202 -78 166 C ATOM 1283 C ALA A 183 1.503 -7.037 -0.728 1.00 11.67 C ANISOU 1283 C ALA A 183 1555 1682 1197 -384 11 -551 C ATOM 1284 O ALA A 183 1.093 -5.924 -0.982 1.00 12.55 O ANISOU 1284 O ALA A 183 1825 1875 1066 -178 73 -204 O ATOM 1285 CB ALA A 183 3.905 -7.411 -0.044 1.00 10.48 C ANISOU 1285 CB ALA A 183 1559 1888 534 -184 24 28 C ATOM 0 H ALA A 183 3.181 -5.825 -2.221 1.00 10.86 H new ATOM 0 HA ALA A 183 2.796 -8.395 -1.442 1.00 11.19 H new ATOM 0 HB1 ALA A 183 3.601 -7.947 0.705 1.00 10.48 H new ATOM 0 HB2 ALA A 183 4.749 -7.761 -0.369 1.00 10.48 H new ATOM 0 HB3 ALA A 183 4.025 -6.493 0.244 1.00 10.48 H new ATOM 1286 N GLU A 184 0.772 -7.916 -0.061 1.00 11.85 N ANISOU 1286 N GLU A 184 1474 1786 1239 -318 -134 -172 N ATOM 1287 CA GLU A 184 -0.525 -7.509 0.437 1.00 13.01 C ANISOU 1287 CA GLU A 184 1475 2056 1409 -319 -129 -279 C ATOM 1288 C GLU A 184 -0.467 -6.302 1.391 1.00 13.09 C ANISOU 1288 C GLU A 184 1350 2446 1175 -535 213 -361 C ATOM 1289 O GLU A 184 0.511 -6.161 2.117 1.00 14.93 O ANISOU 1289 O GLU A 184 1691 2666 1313 -218 -242 -229 O ATOM 1290 CB GLU A 184 -1.218 -8.724 1.133 1.00 14.90 C ANISOU 1290 CB GLU A 184 1753 1913 1996 -307 311 -353 C ATOM 1291 CG GLU A 184 -1.504 -9.897 0.188 1.00 14.14 C ANISOU 1291 CG GLU A 184 2046 1770 1555 -183 10 -84 C ATOM 1292 CD GLU A 184 -2.288 -11.013 0.805 1.00 18.34 C ANISOU 1292 CD GLU A 184 1862 2251 2855 -723 449 -777 C ATOM 1293 OE1 GLU A 184 -2.772 -10.789 1.946 1.00 22.67 O ANISOU 1293 OE1 GLU A 184 3190 2541 2879 -701 1401 -457 O ATOM 1294 OE2 GLU A 184 -2.408 -12.103 0.187 1.00 17.00 O ANISOU 1294 OE2 GLU A 184 1905 2409 2145 -579 18 -379 O ATOM 0 H GLU A 184 1.000 -8.727 0.109 1.00 11.85 H new ATOM 0 HA GLU A 184 -1.045 -7.217 -0.328 1.00 13.01 H new ATOM 0 HB2 GLU A 184 -0.655 -9.034 1.859 1.00 14.90 H new ATOM 0 HB3 GLU A 184 -2.053 -8.427 1.528 1.00 14.90 H new ATOM 0 HG2 GLU A 184 -1.988 -9.565 -0.584 1.00 14.14 H new ATOM 0 HG3 GLU A 184 -0.661 -10.250 -0.136 1.00 14.14 H new ATOM 1295 N SER A 185 -1.576 -5.605 1.400 1.00 14.19 N ANISOU 1295 N SER A 185 1511 2365 1516 -426 19 -858 N ATOM 1296 CA SER A 185 -1.691 -4.407 2.160 1.00 14.29 C ANISOU 1296 CA SER A 185 1721 2217 1489 -401 128 -713 C ATOM 1297 C SER A 185 -3.005 -4.382 2.936 1.00 18.03 C ANISOU 1297 C SER A 185 2264 2717 1867 -127 591 -841 C ATOM 1298 O SER A 185 -3.556 -3.290 3.174 1.00 22.90 O ANISOU 1298 O SER A 185 2457 3490 2752 273 687 -1175 O ATOM 1299 CB SER A 185 -1.627 -3.246 1.244 1.00 16.91 C ANISOU 1299 CB SER A 185 1843 2075 2506 -451 81 -567 C ATOM 1300 OG SER A 185 -2.589 -3.466 0.188 1.00 17.64 O ANISOU 1300 OG SER A 185 1861 2745 2096 -226 328 -747 O ATOM 0 H SER A 185 -2.284 -5.819 0.961 1.00 14.19 H new ATOM 0 HA SER A 185 -0.961 -4.366 2.798 1.00 14.29 H new ATOM 0 HB2 SER A 185 -1.827 -2.425 1.721 1.00 16.91 H new ATOM 0 HB3 SER A 185 -0.734 -3.151 0.877 1.00 16.91 H new ATOM 0 HG SER A 185 -3.206 -2.899 0.248 1.00 17.64 H new ATOM 1301 N ASN A 186 -3.533 -5.532 3.366 1.00 16.08 N ANISOU 1301 N ASN A 186 1673 2975 1461 -468 -51 -748 N ATOM 1302 CA ASN A 186 -4.801 -5.559 4.014 1.00 22.23 C ANISOU 1302 CA ASN A 186 2219 4396 1828 -849 271 -823 C ATOM 1303 C ASN A 186 -4.554 -5.370 5.543 1.00 20.22 C ANISOU 1303 C ASN A 186 1687 4075 1918 -1151 307 -1000 C ATOM 1304 O ASN A 186 -4.112 -6.336 6.229 1.00 26.42 O ANISOU 1304 O ASN A 186 2935 5110 1992 -884 267 -1226 O ATOM 1305 CB ASN A 186 -5.519 -6.795 3.801 1.00 22.48 C ANISOU 1305 CB ASN A 186 2894 3578 2069 -761 262 -321 C ATOM 1306 CG ASN A 186 -6.847 -6.829 4.509 1.00 27.80 C ANISOU 1306 CG ASN A 186 2514 4288 3758 -1348 214 -1086 C ATOM 1307 OD1 ASN A 186 -7.247 -7.876 4.843 1.00 41.73 O ANISOU 1307 OD1 ASN A 186 4504 4744 6604 -1247 1518 835 O ATOM 1308 ND2 ASN A 186 -7.541 -5.693 4.696 1.00 26.55 N ANISOU 1308 ND2 ASN A 186 2070 5272 2744 -1201 334 -642 N ATOM 0 H ASN A 186 -3.155 -6.300 3.282 1.00 16.08 H new ATOM 0 HA ASN A 186 -5.348 -4.850 3.640 1.00 22.23 H new ATOM 0 HB2 ASN A 186 -5.661 -6.922 2.850 1.00 22.48 H new ATOM 0 HB3 ASN A 186 -4.975 -7.537 4.108 1.00 22.48 H new ATOM 0 HD21 ASN A 186 -8.313 -5.718 5.075 1.00 26.55 H new ATOM 0 HD22 ASN A 186 -7.213 -4.941 4.437 1.00 26.55 H new ATOM 1309 N ARG A 187 -4.719 -4.120 5.995 1.00 23.46 N ANISOU 1309 N ARG A 187 1871 4483 2559 -706 785 -1250 N ATOM 1310 CA ARG A 187 -4.477 -3.646 7.350 1.00 24.21 C ANISOU 1310 CA ARG A 187 2054 4452 2691 -427 337 -1045 C ATOM 1311 C ARG A 187 -2.993 -3.635 7.720 1.00 19.44 C ANISOU 1311 C ARG A 187 1867 3901 1615 -563 575 -1402 C ATOM 1312 O ARG A 187 -2.495 -2.568 8.101 1.00 29.45 O ANISOU 1312 O ARG A 187 2535 4257 4397 -852 522 -1728 O ATOM 1313 CB ARG A 187 -5.291 -4.467 8.382 1.00 24.55 C ANISOU 1313 CB ARG A 187 2477 4226 2623 -721 522 -938 C ATOM 1314 CG ARG A 187 -6.760 -4.304 8.196 1.00 30.96 C ANISOU 1314 CG ARG A 187 2962 4860 3938 508 1340 -94 C ATOM 1315 CD ARG A 187 -7.632 -5.134 9.159 1.00 34.99 C ANISOU 1315 CD ARG A 187 4300 6486 2509 272 1127 847 C ATOM 1316 NE ARG A 187 -7.429 -6.600 8.933 1.00 46.16 N ANISOU 1316 NE ARG A 187 4249 6607 6683 -1168 200 268 N ATOM 1317 CZ ARG A 187 -8.114 -7.388 8.084 1.00 49.50 C ANISOU 1317 CZ ARG A 187 5667 6479 6660 41 -448 119 C ATOM 1318 NH1 ARG A 187 -9.138 -6.918 7.347 1.00 58.24 N ANISOU 1318 NH1 ARG A 187 5077 9150 7901 1597 185 -47 N ATOM 1319 NH2 ARG A 187 -7.795 -8.668 7.975 1.00 42.21 N ANISOU 1319 NH2 ARG A 187 5452 5403 5180 -1104 -90 2337 N ATOM 0 H ARG A 187 -4.994 -3.490 5.478 1.00 23.46 H new ATOM 0 HA ARG A 187 -4.780 -2.725 7.375 1.00 24.21 H new ATOM 0 HB2 ARG A 187 -5.058 -5.405 8.302 1.00 24.55 H new ATOM 0 HB3 ARG A 187 -5.047 -4.189 9.279 1.00 24.55 H new ATOM 0 HG2 ARG A 187 -6.984 -3.367 8.304 1.00 30.96 H new ATOM 0 HG3 ARG A 187 -6.986 -4.547 7.285 1.00 30.96 H new ATOM 0 HD2 ARG A 187 -7.410 -4.910 10.076 1.00 34.99 H new ATOM 0 HD3 ARG A 187 -8.567 -4.909 9.030 1.00 34.99 H new ATOM 0 HE ARG A 187 -6.810 -6.978 9.394 1.00 46.16 H new ATOM 0 HH11 ARG A 187 -9.371 -6.093 7.411 1.00 58.24 H new ATOM 0 HH12 ARG A 187 -9.559 -7.443 6.812 1.00 58.24 H new ATOM 0 HH21 ARG A 187 -7.153 -8.993 8.446 1.00 42.21 H new ATOM 0 HH22 ARG A 187 -8.230 -9.175 7.434 1.00 42.21 H new ATOM 1320 N ARG A 188 -2.320 -4.808 7.648 1.00 22.02 N ANISOU 1320 N ARG A 188 1984 4279 2102 -727 1062 -1309 N ATOM 1321 CA ARG A 188 -0.897 -4.931 7.877 1.00 20.23 C ANISOU 1321 CA ARG A 188 1787 4213 1684 -1121 506 -1008 C ATOM 1322 C ARG A 188 -0.203 -4.327 6.644 1.00 19.15 C ANISOU 1322 C ARG A 188 1845 3985 1446 -1117 147 -1007 C ATOM 1323 O ARG A 188 -0.554 -4.715 5.517 1.00 18.80 O ANISOU 1323 O ARG A 188 1788 4078 1274 -1053 -81 -776 O ATOM 1324 CB ARG A 188 -0.487 -6.433 8.100 1.00 22.95 C ANISOU 1324 CB ARG A 188 2949 4432 1339 -1207 651 -1045 C ATOM 1325 CG ARG A 188 -1.010 -7.197 9.436 1.00 25.33 C ANISOU 1325 CG ARG A 188 2569 6205 849 -2000 548 -788 C ATOM 1326 CD ARG A 188 -1.396 -8.642 9.051 1.00 37.36 C ANISOU 1326 CD ARG A 188 5081 5568 3543 -660 508 -31 C ATOM 1327 NE ARG A 188 -2.131 -9.140 10.245 1.00 53.13 N ANISOU 1327 NE ARG A 188 8273 6744 5168 -1043 817 1585 N ATOM 1328 CZ ARG A 188 -2.204 -10.403 10.667 1.00 55.09 C ANISOU 1328 CZ ARG A 188 6324 7783 6821 -3598 1552 1637 C ATOM 1329 NH1 ARG A 188 -1.675 -11.423 9.961 1.00 76.08 N ANISOU 1329 NH1 ARG A 188 9397 10476 9032 -530 696 557 N ATOM 1330 NH2 ARG A 188 -2.818 -10.674 11.819 1.00 55.71 N ANISOU 1330 NH2 ARG A 188 8048 8241 4878 -1518 890 2394 N ATOM 0 H ARG A 188 -2.702 -5.555 7.460 1.00 22.02 H new ATOM 0 HA ARG A 188 -0.629 -4.461 8.682 1.00 20.23 H new ATOM 0 HB2 ARG A 188 -0.796 -6.939 7.332 1.00 22.95 H new ATOM 0 HB3 ARG A 188 0.482 -6.477 8.097 1.00 22.95 H new ATOM 0 HG2 ARG A 188 -0.317 -7.202 10.115 1.00 25.33 H new ATOM 0 HG3 ARG A 188 -1.774 -6.733 9.813 1.00 25.33 H new ATOM 0 HD2 ARG A 188 -1.952 -8.663 8.256 1.00 37.36 H new ATOM 0 HD3 ARG A 188 -0.613 -9.182 8.864 1.00 37.36 H new ATOM 0 HE ARG A 188 -2.552 -8.553 10.711 1.00 53.13 H new ATOM 0 HH11 ARG A 188 -1.276 -11.268 9.215 1.00 76.08 H new ATOM 0 HH12 ARG A 188 -1.737 -12.228 10.257 1.00 76.08 H new ATOM 0 HH21 ARG A 188 -3.163 -10.037 12.283 1.00 55.71 H new ATOM 0 HH22 ARG A 188 -2.869 -11.486 12.098 1.00 55.71 H new ATOM 1331 N ASP A 189 0.745 -3.454 6.799 1.00 17.02 N ANISOU 1331 N ASP A 189 1455 3920 1090 -795 259 -932 N ATOM 1332 CA ASP A 189 1.376 -2.820 5.600 1.00 20.06 C ANISOU 1332 CA ASP A 189 1637 3853 2130 -1024 890 -1071 C ATOM 1333 C ASP A 189 2.620 -2.046 5.964 1.00 19.39 C ANISOU 1333 C ASP A 189 1088 4360 1918 -767 641 -1506 C ATOM 1334 O ASP A 189 2.833 -1.686 7.158 1.00 21.21 O ANISOU 1334 O ASP A 189 2090 4182 1785 -847 464 -1370 O ATOM 1335 CB ASP A 189 0.406 -1.876 4.966 1.00 19.19 C ANISOU 1335 CB ASP A 189 1977 3588 1723 -516 299 -1538 C ATOM 1336 CG ASP A 189 0.717 -1.489 3.476 1.00 18.47 C ANISOU 1336 CG ASP A 189 1861 3004 2152 -216 465 -1486 C ATOM 1337 OD1 ASP A 189 1.568 -2.076 2.844 1.00 16.54 O ANISOU 1337 OD1 ASP A 189 1678 2747 1858 -234 225 -1235 O ATOM 1338 OD2 ASP A 189 -0.087 -0.658 2.977 1.00 20.09 O ANISOU 1338 OD2 ASP A 189 1558 3022 3050 -268 457 -1360 O ATOM 0 H ASP A 189 1.057 -3.196 7.558 1.00 17.02 H new ATOM 0 HA ASP A 189 1.620 -3.532 4.989 1.00 20.06 H new ATOM 0 HB2 ASP A 189 -0.479 -2.272 5.003 1.00 19.19 H new ATOM 0 HB3 ASP A 189 0.376 -1.064 5.495 1.00 19.19 H new ATOM 1339 N SER A 190 3.440 -1.777 4.996 1.00 18.38 N ANISOU 1339 N SER A 190 1301 3212 2469 -612 945 -1243 N ATOM 1340 CA SER A 190 4.441 -0.720 5.055 1.00 18.44 C ANISOU 1340 CA SER A 190 1721 3328 1955 -542 992 -1427 C ATOM 1341 C SER A 190 3.829 0.647 4.720 1.00 17.30 C ANISOU 1341 C SER A 190 1490 2977 2105 -373 810 -1572 C ATOM 1342 O SER A 190 2.749 0.752 4.088 1.00 18.71 O ANISOU 1342 O SER A 190 1558 3525 2026 -744 460 -1391 O ATOM 1343 CB SER A 190 5.642 -1.077 4.152 1.00 19.38 C ANISOU 1343 CB SER A 190 1590 3003 2768 -754 1188 -1655 C ATOM 1344 OG SER A 190 5.251 -1.302 2.791 1.00 22.77 O ANISOU 1344 OG SER A 190 2716 3655 2278 -1010 1576 -1435 O ATOM 0 H SER A 190 3.443 -2.210 4.253 1.00 18.38 H new ATOM 0 HA SER A 190 4.773 -0.649 5.964 1.00 18.44 H new ATOM 0 HB2 SER A 190 6.293 -0.359 4.185 1.00 19.38 H new ATOM 0 HB3 SER A 190 6.078 -1.872 4.497 1.00 19.38 H new ATOM 0 HG SER A 190 4.691 -0.720 2.560 1.00 22.77 H new ATOM 1345 N CYS A 191 4.435 1.724 5.241 1.00 15.40 N ANISOU 1345 N CYS A 191 1964 2844 1041 -445 707 -992 N ATOM 1346 CA CYS A 191 3.854 3.030 5.059 1.00 14.88 C ANISOU 1346 CA CYS A 191 1195 2934 1523 -451 304 -1449 C ATOM 1347 C CYS A 191 4.927 4.099 4.993 1.00 12.04 C ANISOU 1347 C CYS A 191 1122 2821 631 -260 318 -1024 C ATOM 1348 O CYS A 191 6.116 3.794 4.905 1.00 13.69 O ANISOU 1348 O CYS A 191 1278 2778 1143 -86 260 -682 O ATOM 1349 CB CYS A 191 2.777 3.228 6.120 1.00 18.48 C ANISOU 1349 CB CYS A 191 1444 3474 2103 -382 789 -1424 C ATOM 1350 SG CYS A 191 1.526 4.522 5.776 1.00 20.31 S ANISOU 1350 SG CYS A 191 1696 4330 1688 -535 499 -1577 S ATOM 0 H CYS A 191 5.167 1.707 5.692 1.00 15.40 H new ATOM 0 HA CYS A 191 3.408 3.109 4.201 1.00 14.88 H new ATOM 0 HB2 CYS A 191 2.315 2.384 6.246 1.00 18.48 H new ATOM 0 HB3 CYS A 191 3.213 3.441 6.960 1.00 18.48 H new ATOM 1351 N LYS A 192 4.454 5.349 5.088 1.00 12.35 N ANISOU 1351 N LYS A 192 1163 2728 801 -43 129 -1058 N ATOM 1352 CA LYS A 192 5.360 6.499 5.086 1.00 12.66 C ANISOU 1352 CA LYS A 192 1343 2640 826 -150 -45 -1172 C ATOM 1353 C LYS A 192 6.475 6.337 6.097 1.00 11.80 C ANISOU 1353 C LYS A 192 994 2709 779 -496 -84 -721 C ATOM 1354 O LYS A 192 6.253 6.015 7.318 1.00 14.69 O ANISOU 1354 O LYS A 192 1680 3027 872 -17 422 -718 O ATOM 1355 CB LYS A 192 4.523 7.740 5.400 1.00 15.38 C ANISOU 1355 CB LYS A 192 1547 2662 1635 154 -209 -636 C ATOM 1356 CG LYS A 192 5.260 9.059 5.366 1.00 15.69 C ANISOU 1356 CG LYS A 192 1763 2756 1440 310 -198 -659 C ATOM 1357 CD LYS A 192 4.355 10.170 5.388 1.00 16.46 C ANISOU 1357 CD LYS A 192 1797 2734 1723 395 253 -789 C ATOM 1358 CE LYS A 192 4.992 11.357 5.013 1.00 17.45 C ANISOU 1358 CE LYS A 192 2344 2564 1722 291 49 15 C ATOM 1359 NZ LYS A 192 4.088 12.475 5.024 1.00 20.47 N ANISOU 1359 NZ LYS A 192 2807 2848 2122 288 711 331 N ATOM 0 H LYS A 192 3.620 5.548 5.154 1.00 12.35 H new ATOM 0 HA LYS A 192 5.786 6.579 4.218 1.00 12.66 H new ATOM 0 HB2 LYS A 192 3.789 7.783 4.767 1.00 15.38 H new ATOM 0 HB3 LYS A 192 4.132 7.631 6.281 1.00 15.38 H new ATOM 0 HG2 LYS A 192 5.860 9.115 6.126 1.00 15.69 H new ATOM 0 HG3 LYS A 192 5.809 9.103 4.567 1.00 15.69 H new ATOM 0 HD2 LYS A 192 3.613 9.996 4.788 1.00 16.46 H new ATOM 0 HD3 LYS A 192 3.983 10.268 6.278 1.00 16.46 H new ATOM 0 HE2 LYS A 192 5.731 11.532 5.617 1.00 17.45 H new ATOM 0 HE3 LYS A 192 5.369 11.255 4.125 1.00 17.45 H new ATOM 0 HZ1 LYS A 192 4.335 13.063 4.403 1.00 20.47 H new ATOM 0 HZ2 LYS A 192 3.262 12.191 4.852 1.00 20.47 H new ATOM 0 HZ3 LYS A 192 4.106 12.864 5.824 1.00 20.47 H new ATOM 1360 N GLY A 193 7.713 6.577 5.670 1.00 10.23 N ANISOU 1360 N GLY A 193 1130 2330 423 -94 197 -668 N ATOM 1361 CA GLY A 193 8.878 6.348 6.480 1.00 10.53 C ANISOU 1361 CA GLY A 193 1095 2074 829 -231 9 -666 C ATOM 1362 C GLY A 193 9.454 4.974 6.516 1.00 10.52 C ANISOU 1362 C GLY A 193 1284 2248 464 -268 301 -431 C ATOM 1363 O GLY A 193 10.577 4.785 6.973 1.00 11.76 O ANISOU 1363 O GLY A 193 1384 2302 780 -274 -63 -415 O ATOM 0 H GLY A 193 7.891 6.883 4.886 1.00 10.23 H new ATOM 0 HA2 GLY A 193 9.573 6.952 6.176 1.00 10.53 H new ATOM 0 HA3 GLY A 193 8.660 6.601 7.391 1.00 10.53 H new ATOM 1364 N ASP A 194 8.701 3.961 6.029 1.00 11.11 N ANISOU 1364 N ASP A 194 1276 2023 920 -194 224 -666 N ATOM 1365 CA ASP A 194 9.242 2.669 5.756 1.00 10.64 C ANISOU 1365 CA ASP A 194 1231 2139 669 -172 192 -511 C ATOM 1366 C ASP A 194 9.924 2.550 4.349 1.00 10.44 C ANISOU 1366 C ASP A 194 1072 2077 816 -10 188 -677 C ATOM 1367 O ASP A 194 10.655 1.625 4.108 1.00 10.06 O ANISOU 1367 O ASP A 194 1299 1954 567 -45 230 -393 O ATOM 1368 CB ASP A 194 8.169 1.546 5.944 1.00 11.32 C ANISOU 1368 CB ASP A 194 1464 1995 841 -122 291 -330 C ATOM 1369 CG ASP A 194 7.527 1.504 7.343 1.00 12.85 C ANISOU 1369 CG ASP A 194 1455 2590 836 -343 324 -576 C ATOM 1370 OD1 ASP A 194 8.336 1.568 8.302 1.00 14.06 O ANISOU 1370 OD1 ASP A 194 1668 2821 852 -755 248 -559 O ATOM 1371 OD2 ASP A 194 6.267 1.419 7.368 1.00 15.76 O ANISOU 1371 OD2 ASP A 194 1471 3408 1108 -612 293 -806 O ATOM 0 H ASP A 194 7.862 4.033 5.857 1.00 11.11 H new ATOM 0 HA ASP A 194 9.946 2.544 6.411 1.00 10.64 H new ATOM 0 HB2 ASP A 194 7.470 1.669 5.283 1.00 11.32 H new ATOM 0 HB3 ASP A 194 8.582 0.687 5.764 1.00 11.32 H new ATOM 1372 N SER A 195 9.552 3.555 3.496 1.00 11.10 N ANISOU 1372 N SER A 195 1255 2161 799 210 208 -514 N ATOM 1373 CA SER A 195 10.217 3.753 2.186 1.00 10.63 C ANISOU 1373 CA SER A 195 1213 2032 793 -59 195 -468 C ATOM 1374 C SER A 195 11.695 3.516 2.270 1.00 10.38 C ANISOU 1374 C SER A 195 1308 1892 744 -209 191 -280 C ATOM 1375 O SER A 195 12.319 4.052 3.221 1.00 11.20 O ANISOU 1375 O SER A 195 1419 2181 655 -216 -41 -328 O ATOM 1376 CB SER A 195 9.921 5.142 1.730 1.00 13.48 C ANISOU 1376 CB SER A 195 1574 2215 1331 96 -284 -503 C ATOM 1377 OG SER A 195 10.073 6.106 2.707 1.00 13.89 O ANISOU 1377 OG SER A 195 1746 2208 1322 -162 -60 -300 O ATOM 0 H SER A 195 8.925 4.119 3.664 1.00 11.10 H new ATOM 0 HA SER A 195 9.875 3.108 1.547 1.00 10.63 H new ATOM 0 HB2 SER A 195 10.503 5.357 0.985 1.00 13.48 H new ATOM 0 HB3 SER A 195 9.010 5.175 1.397 1.00 13.48 H new ATOM 0 HG SER A 195 10.856 6.408 2.683 1.00 13.89 H new ATOM 1378 N GLY A 196 12.328 2.754 1.363 1.00 8.28 N ANISOU 1378 N GLY A 196 1292 1652 200 22 -32 2 N ATOM 1379 CA GLY A 196 13.758 2.533 1.409 1.00 8.34 C ANISOU 1379 CA GLY A 196 1215 1711 243 26 -102 -87 C ATOM 1380 C GLY A 196 14.195 1.355 2.190 1.00 8.67 C ANISOU 1380 C GLY A 196 874 1869 548 57 43 45 C ATOM 1381 O GLY A 196 15.295 0.885 2.044 1.00 8.73 O ANISOU 1381 O GLY A 196 1141 2025 150 -72 113 -150 O ATOM 0 H GLY A 196 11.931 2.358 0.711 1.00 8.28 H new ATOM 0 HA2 GLY A 196 14.084 2.438 0.500 1.00 8.34 H new ATOM 0 HA3 GLY A 196 14.180 3.323 1.781 1.00 8.34 H new ATOM 1382 N GLY A 197 13.263 0.814 3.033 1.00 8.22 N ANISOU 1382 N GLY A 197 1229 1653 240 -15 190 -191 N ATOM 1383 CA GLY A 197 13.606 -0.341 3.843 1.00 9.85 C ANISOU 1383 CA GLY A 197 1401 1696 645 122 169 9 C ATOM 1384 C GLY A 197 13.486 -1.678 3.176 1.00 9.48 C ANISOU 1384 C GLY A 197 1476 1736 389 172 -69 -74 C ATOM 1385 O GLY A 197 13.071 -1.745 1.989 1.00 9.15 O ANISOU 1385 O GLY A 197 1268 1993 214 111 63 -98 O ATOM 0 H GLY A 197 12.460 1.106 3.132 1.00 8.22 H new ATOM 0 HA2 GLY A 197 14.519 -0.236 4.152 1.00 9.85 H new ATOM 0 HA3 GLY A 197 13.038 -0.341 4.630 1.00 9.85 H new ATOM 1386 N PRO A 198 13.919 -2.736 3.809 1.00 10.41 N ANISOU 1386 N PRO A 198 1809 1438 706 -15 -296 -201 N ATOM 1387 CA PRO A 198 14.011 -4.018 3.174 1.00 10.96 C ANISOU 1387 CA PRO A 198 1553 1505 1106 20 -220 -95 C ATOM 1388 C PRO A 198 12.802 -4.860 3.267 1.00 11.77 C ANISOU 1388 C PRO A 198 1862 1691 916 -351 151 -120 C ATOM 1389 O PRO A 198 12.097 -4.928 4.303 1.00 16.54 O ANISOU 1389 O PRO A 198 2508 2441 1332 -727 615 -389 O ATOM 1390 CB PRO A 198 15.143 -4.667 4.038 1.00 15.67 C ANISOU 1390 CB PRO A 198 2270 1763 1920 377 -477 39 C ATOM 1391 CG PRO A 198 15.010 -4.081 5.316 1.00 17.74 C ANISOU 1391 CG PRO A 198 2723 2371 1647 259 -1047 102 C ATOM 1392 CD PRO A 198 14.476 -2.680 5.183 1.00 15.39 C ANISOU 1392 CD PRO A 198 2719 2311 816 176 -611 168 C ATOM 0 HA PRO A 198 14.155 -3.936 2.218 1.00 10.96 H new ATOM 0 HB2 PRO A 198 15.043 -5.631 4.082 1.00 15.67 H new ATOM 0 HB3 PRO A 198 16.019 -4.490 3.660 1.00 15.67 H new ATOM 0 HG2 PRO A 198 14.412 -4.613 5.864 1.00 17.74 H new ATOM 0 HG3 PRO A 198 15.870 -4.067 5.765 1.00 17.74 H new ATOM 0 HD2 PRO A 198 13.799 -2.478 5.848 1.00 15.39 H new ATOM 0 HD3 PRO A 198 15.171 -2.010 5.273 1.00 15.39 H new ATOM 1393 N LEU A 199 12.488 -5.591 2.155 1.00 10.73 N ANISOU 1393 N LEU A 199 1494 1655 927 -25 -41 -126 N ATOM 1394 CA LEU A 199 11.512 -6.684 2.156 1.00 9.81 C ANISOU 1394 CA LEU A 199 1747 1660 319 101 -21 -280 C ATOM 1395 C LEU A 199 12.333 -7.914 2.064 1.00 10.24 C ANISOU 1395 C LEU A 199 1639 1607 642 181 14 -337 C ATOM 1396 O LEU A 199 13.005 -8.172 1.081 1.00 11.72 O ANISOU 1396 O LEU A 199 1928 1980 545 493 -75 -154 O ATOM 1397 CB LEU A 199 10.504 -6.521 0.996 1.00 11.92 C ANISOU 1397 CB LEU A 199 1608 2094 826 11 -165 -38 C ATOM 1398 CG LEU A 199 9.464 -7.617 0.960 1.00 13.21 C ANISOU 1398 CG LEU A 199 1677 1901 1438 3 -133 -331 C ATOM 1399 CD1 LEU A 199 8.500 -7.487 2.130 1.00 16.75 C ANISOU 1399 CD1 LEU A 199 1679 2232 2453 27 111 -309 C ATOM 1400 CD2 LEU A 199 8.697 -7.599 -0.350 1.00 20.01 C ANISOU 1400 CD2 LEU A 199 2781 2798 2022 -674 -951 -319 C ATOM 0 H LEU A 199 12.847 -5.451 1.386 1.00 10.73 H new ATOM 0 HA LEU A 199 10.957 -6.705 2.951 1.00 9.81 H new ATOM 0 HB2 LEU A 199 10.060 -5.663 1.078 1.00 11.92 H new ATOM 0 HB3 LEU A 199 10.986 -6.511 0.154 1.00 11.92 H new ATOM 0 HG LEU A 199 9.929 -8.465 1.032 1.00 13.21 H new ATOM 0 HD11 LEU A 199 7.842 -8.199 2.088 1.00 16.75 H new ATOM 0 HD12 LEU A 199 8.992 -7.551 2.964 1.00 16.75 H new ATOM 0 HD13 LEU A 199 8.050 -6.629 2.085 1.00 16.75 H new ATOM 0 HD21 LEU A 199 8.037 -8.310 -0.349 1.00 20.01 H new ATOM 0 HD22 LEU A 199 8.250 -6.744 -0.452 1.00 20.01 H new ATOM 0 HD23 LEU A 199 9.313 -7.731 -1.088 1.00 20.01 H new ATOM 1401 N VAL A 200 12.343 -8.774 3.121 1.00 10.74 N ANISOU 1401 N VAL A 200 1730 1626 724 189 -88 -56 N ATOM 1402 CA VAL A 200 13.186 -9.915 3.244 1.00 10.52 C ANISOU 1402 CA VAL A 200 1704 1543 749 -20 -164 -284 C ATOM 1403 C VAL A 200 12.385 -11.193 3.175 1.00 12.81 C ANISOU 1403 C VAL A 200 1888 1657 1322 -71 -237 -76 C ATOM 1404 O VAL A 200 11.367 -11.365 3.853 1.00 14.52 O ANISOU 1404 O VAL A 200 2334 2045 1138 -330 196 89 O ATOM 1405 CB VAL A 200 14.002 -9.790 4.616 1.00 12.94 C ANISOU 1405 CB VAL A 200 2135 2069 713 151 -231 -492 C ATOM 1406 CG1 VAL A 200 15.067 -10.917 4.733 1.00 15.50 C ANISOU 1406 CG1 VAL A 200 2431 2359 1100 417 -565 -98 C ATOM 1407 CG2 VAL A 200 14.635 -8.428 4.729 1.00 13.02 C ANISOU 1407 CG2 VAL A 200 1868 2088 991 129 -626 -319 C ATOM 0 H VAL A 200 11.822 -8.672 3.798 1.00 10.74 H new ATOM 0 HA VAL A 200 13.812 -9.949 2.504 1.00 10.52 H new ATOM 0 HB VAL A 200 13.381 -9.896 5.353 1.00 12.94 H new ATOM 0 HG11 VAL A 200 15.548 -10.822 5.570 1.00 15.50 H new ATOM 0 HG12 VAL A 200 14.628 -11.781 4.710 1.00 15.50 H new ATOM 0 HG13 VAL A 200 15.690 -10.852 3.993 1.00 15.50 H new ATOM 0 HG21 VAL A 200 15.125 -8.367 5.564 1.00 13.02 H new ATOM 0 HG22 VAL A 200 15.244 -8.291 3.986 1.00 13.02 H new ATOM 0 HG23 VAL A 200 13.944 -7.747 4.710 1.00 13.02 H new ATOM 1408 N CYS A 201 12.806 -12.122 2.243 1.00 11.92 N ANISOU 1408 N CYS A 201 2133 1685 711 -62 84 199 N ATOM 1409 CA CYS A 201 12.165 -13.391 2.039 1.00 14.53 C ANISOU 1409 CA CYS A 201 2179 1884 1455 -20 197 389 C ATOM 1410 C CYS A 201 13.184 -14.489 2.156 1.00 16.64 C ANISOU 1410 C CYS A 201 2401 1616 2303 -51 0 444 C ATOM 1411 O CYS A 201 14.234 -14.385 1.564 1.00 16.56 O ANISOU 1411 O CYS A 201 2209 2228 1855 -126 -8 -334 O ATOM 1412 CB CYS A 201 11.488 -13.343 0.641 1.00 17.73 C ANISOU 1412 CB CYS A 201 2480 2184 2070 -358 14 -300 C ATOM 1413 SG CYS A 201 10.493 -11.929 0.218 1.00 17.52 S ANISOU 1413 SG CYS A 201 2702 2860 1092 -467 19 27 S ATOM 0 H CYS A 201 13.482 -11.993 1.727 1.00 11.92 H new ATOM 0 HA CYS A 201 11.487 -13.572 2.708 1.00 14.53 H new ATOM 0 HB2 CYS A 201 12.187 -13.420 -0.027 1.00 17.73 H new ATOM 0 HB3 CYS A 201 10.929 -14.131 0.558 1.00 17.73 H new ATOM 1414 N GLY A 202 12.929 -15.492 3.000 1.00 21.42 N ANISOU 1414 N GLY A 202 2651 2083 3402 78 245 1106 N ATOM 1415 CA GLY A 202 13.887 -16.565 3.232 1.00 23.99 C ANISOU 1415 CA GLY A 202 3611 2018 3484 353 151 934 C ATOM 1416 C GLY A 202 15.265 -16.065 3.626 1.00 23.08 C ANISOU 1416 C GLY A 202 3200 2484 3083 283 493 1149 C ATOM 1417 O GLY A 202 16.261 -16.677 3.294 1.00 24.36 O ANISOU 1417 O GLY A 202 3001 2497 3758 372 117 708 O ATOM 0 H GLY A 202 12.199 -15.566 3.449 1.00 21.42 H new ATOM 0 HA2 GLY A 202 13.549 -17.146 3.931 1.00 23.99 H new ATOM 0 HA3 GLY A 202 13.962 -17.102 2.428 1.00 23.99 H new ATOM 1418 N GLY A 207 15.386 -15.008 4.434 1.00 22.22 N ANISOU 1418 N GLY A 207 3259 2464 2718 66 482 1497 N ATOM 1419 CA GLY A 207 16.655 -14.518 4.876 1.00 19.48 C ANISOU 1419 CA GLY A 207 3134 2357 1910 459 89 687 C ATOM 1420 C GLY A 207 17.460 -13.775 3.850 1.00 17.10 C ANISOU 1420 C GLY A 207 2651 1899 1947 386 -300 811 C ATOM 1421 O GLY A 207 18.631 -13.505 4.061 1.00 19.27 O ANISOU 1421 O GLY A 207 3137 2603 1581 338 -455 147 O ATOM 0 H GLY A 207 14.715 -14.562 4.735 1.00 22.22 H new ATOM 0 HA2 GLY A 207 16.510 -13.932 5.635 1.00 19.48 H new ATOM 0 HA3 GLY A 207 17.180 -15.269 5.193 1.00 19.48 H new ATOM 1422 N VAL A 208 16.821 -13.468 2.697 1.00 13.22 N ANISOU 1422 N VAL A 208 2034 1688 1301 202 -173 86 N ATOM 1423 CA VAL A 208 17.520 -12.751 1.603 1.00 12.62 C ANISOU 1423 CA VAL A 208 1638 1444 1712 -50 -369 -119 C ATOM 1424 C VAL A 208 16.724 -11.468 1.287 1.00 10.18 C ANISOU 1424 C VAL A 208 1690 1448 730 93 -145 -354 C ATOM 1425 O VAL A 208 15.526 -11.479 1.243 1.00 12.59 O ANISOU 1425 O VAL A 208 1682 1819 1281 -22 -230 118 O ATOM 1426 CB VAL A 208 17.753 -13.649 0.391 1.00 13.34 C ANISOU 1426 CB VAL A 208 1765 1759 1544 67 119 -37 C ATOM 1427 CG1 VAL A 208 18.351 -12.950 -0.762 1.00 14.75 C ANISOU 1427 CG1 VAL A 208 2047 1996 1560 -45 -204 -24 C ATOM 1428 CG2 VAL A 208 18.626 -14.845 0.766 1.00 15.55 C ANISOU 1428 CG2 VAL A 208 2300 1926 1683 -7 -332 208 C ATOM 0 H VAL A 208 16.000 -13.662 2.532 1.00 13.22 H new ATOM 0 HA VAL A 208 18.413 -12.494 1.882 1.00 12.62 H new ATOM 0 HB VAL A 208 16.872 -13.947 0.115 1.00 13.34 H new ATOM 0 HG11 VAL A 208 18.471 -13.576 -1.493 1.00 14.75 H new ATOM 0 HG12 VAL A 208 17.764 -12.232 -1.045 1.00 14.75 H new ATOM 0 HG13 VAL A 208 19.212 -12.582 -0.507 1.00 14.75 H new ATOM 0 HG21 VAL A 208 18.763 -15.403 -0.015 1.00 15.55 H new ATOM 0 HG22 VAL A 208 19.483 -14.530 1.092 1.00 15.55 H new ATOM 0 HG23 VAL A 208 18.187 -15.362 1.459 1.00 15.55 H new ATOM 1429 N LEU A 209 17.452 -10.400 1.043 1.00 10.76 N ANISOU 1429 N LEU A 209 1685 1581 820 -2 -55 -95 N ATOM 1430 CA LEU A 209 16.829 -9.164 0.587 1.00 10.12 C ANISOU 1430 CA LEU A 209 1533 1522 788 73 -127 -223 C ATOM 1431 C LEU A 209 16.227 -9.364 -0.796 1.00 11.75 C ANISOU 1431 C LEU A 209 1530 1970 963 91 -278 -274 C ATOM 1432 O LEU A 209 16.983 -9.757 -1.775 1.00 12.39 O ANISOU 1432 O LEU A 209 1693 1937 1076 247 -295 -375 O ATOM 1433 CB LEU A 209 17.839 -8.042 0.504 1.00 11.47 C ANISOU 1433 CB LEU A 209 2027 1457 873 59 63 -364 C ATOM 1434 CG LEU A 209 17.325 -6.683 0.106 1.00 10.94 C ANISOU 1434 CG LEU A 209 1845 1519 793 6 -151 -285 C ATOM 1435 CD1 LEU A 209 16.273 -6.191 1.113 1.00 11.21 C ANISOU 1435 CD1 LEU A 209 1719 1513 1026 141 -181 -69 C ATOM 1436 CD2 LEU A 209 18.407 -5.692 -0.123 1.00 11.84 C ANISOU 1436 CD2 LEU A 209 1863 1856 780 -10 -30 -36 C ATOM 0 H LEU A 209 18.306 -10.363 1.133 1.00 10.76 H new ATOM 0 HA LEU A 209 16.140 -8.930 1.228 1.00 10.12 H new ATOM 0 HB2 LEU A 209 18.269 -7.959 1.370 1.00 11.47 H new ATOM 0 HB3 LEU A 209 18.526 -8.302 -0.130 1.00 11.47 H new ATOM 0 HG LEU A 209 16.891 -6.779 -0.756 1.00 10.94 H new ATOM 0 HD11 LEU A 209 15.952 -5.316 0.844 1.00 11.21 H new ATOM 0 HD12 LEU A 209 15.530 -6.815 1.136 1.00 11.21 H new ATOM 0 HD13 LEU A 209 16.672 -6.131 1.995 1.00 11.21 H new ATOM 0 HD21 LEU A 209 18.018 -4.840 -0.375 1.00 11.84 H new ATOM 0 HD22 LEU A 209 18.923 -5.583 0.691 1.00 11.84 H new ATOM 0 HD23 LEU A 209 18.988 -6.005 -0.834 1.00 11.84 H new ATOM 1437 N GLU A 210 14.940 -9.168 -0.931 1.00 10.12 N ANISOU 1437 N GLU A 210 1548 1693 602 176 -245 -247 N ATOM 1438 CA GLU A 210 14.281 -9.296 -2.242 1.00 11.17 C ANISOU 1438 CA GLU A 210 1774 1854 616 416 -311 -588 C ATOM 1439 C GLU A 210 13.789 -7.988 -2.752 1.00 10.82 C ANISOU 1439 C GLU A 210 1558 1841 712 441 -225 -203 C ATOM 1440 O GLU A 210 13.845 -7.737 -3.991 1.00 13.33 O ANISOU 1440 O GLU A 210 2016 2528 518 501 -140 -393 O ATOM 1441 CB GLU A 210 13.131 -10.215 -2.105 1.00 13.78 C ANISOU 1441 CB GLU A 210 1858 2219 1156 119 -424 -525 C ATOM 1442 CG GLU A 210 13.588 -11.624 -2.079 1.00 19.03 C ANISOU 1442 CG GLU A 210 2732 2730 1766 -72 -562 -605 C ATOM 1443 CD GLU A 210 14.001 -12.317 -3.391 1.00 18.39 C ANISOU 1443 CD GLU A 210 3468 2160 1358 418 -333 -513 C ATOM 1444 OE1 GLU A 210 14.012 -11.647 -4.439 1.00 26.41 O ANISOU 1444 OE1 GLU A 210 5390 2639 2003 108 -639 -271 O ATOM 1445 OE2 GLU A 210 14.582 -13.305 -3.224 1.00 23.07 O ANISOU 1445 OE2 GLU A 210 4668 2259 1838 48 387 -251 O ATOM 0 H GLU A 210 14.413 -8.959 -0.284 1.00 10.12 H new ATOM 0 HA GLU A 210 14.934 -9.636 -2.874 1.00 11.17 H new ATOM 0 HB2 GLU A 210 12.644 -10.013 -1.291 1.00 13.78 H new ATOM 0 HB3 GLU A 210 12.516 -10.083 -2.843 1.00 13.78 H new ATOM 0 HG2 GLU A 210 14.346 -11.672 -1.475 1.00 19.03 H new ATOM 0 HG3 GLU A 210 12.877 -12.152 -1.684 1.00 19.03 H new ATOM 1446 N GLY A 211 13.340 -7.111 -1.870 1.00 10.70 N ANISOU 1446 N GLY A 211 1823 1466 776 427 -141 -140 N ATOM 1447 CA GLY A 211 12.761 -5.871 -2.317 1.00 10.55 C ANISOU 1447 CA GLY A 211 1619 1639 747 288 -87 -387 C ATOM 1448 C GLY A 211 13.162 -4.655 -1.509 1.00 8.74 C ANISOU 1448 C GLY A 211 1425 1633 263 395 -70 -450 C ATOM 1449 O GLY A 211 13.574 -4.848 -0.322 1.00 10.26 O ANISOU 1449 O GLY A 211 1478 2110 310 166 -174 -148 O ATOM 0 H GLY A 211 13.363 -7.218 -1.017 1.00 10.70 H new ATOM 0 HA2 GLY A 211 13.013 -5.726 -3.242 1.00 10.55 H new ATOM 0 HA3 GLY A 211 11.795 -5.954 -2.296 1.00 10.55 H new ATOM 1450 N VAL A 212 13.005 -3.452 -1.988 1.00 9.13 N ANISOU 1450 N VAL A 212 1478 1532 459 224 13 -105 N ATOM 1451 CA VAL A 212 13.194 -2.213 -1.303 1.00 8.01 C ANISOU 1451 CA VAL A 212 1136 1504 402 62 -186 29 C ATOM 1452 C VAL A 212 11.919 -1.456 -1.395 1.00 8.25 C ANISOU 1452 C VAL A 212 827 1824 482 44 -140 -107 C ATOM 1453 O VAL A 212 11.319 -1.236 -2.473 1.00 9.76 O ANISOU 1453 O VAL A 212 1131 1991 587 321 -367 -355 O ATOM 1454 CB VAL A 212 14.354 -1.380 -1.901 1.00 10.15 C ANISOU 1454 CB VAL A 212 1344 2006 506 65 248 -40 C ATOM 1455 CG1 VAL A 212 14.422 -0.045 -1.255 1.00 11.14 C ANISOU 1455 CG1 VAL A 212 1493 2122 618 -117 128 -399 C ATOM 1456 CG2 VAL A 212 15.672 -2.145 -1.768 1.00 11.99 C ANISOU 1456 CG2 VAL A 212 1536 2290 730 136 75 -305 C ATOM 0 H VAL A 212 12.761 -3.329 -2.803 1.00 9.13 H new ATOM 0 HA VAL A 212 13.434 -2.392 -0.380 1.00 8.01 H new ATOM 0 HB VAL A 212 14.189 -1.235 -2.846 1.00 10.15 H new ATOM 0 HG11 VAL A 212 15.153 0.464 -1.640 1.00 11.14 H new ATOM 0 HG12 VAL A 212 13.587 0.428 -1.400 1.00 11.14 H new ATOM 0 HG13 VAL A 212 14.570 -0.153 -0.303 1.00 11.14 H new ATOM 0 HG21 VAL A 212 16.393 -1.616 -2.145 1.00 11.99 H new ATOM 0 HG22 VAL A 212 15.853 -2.317 -0.831 1.00 11.99 H new ATOM 0 HG23 VAL A 212 15.607 -2.988 -2.244 1.00 11.99 H new ATOM 1457 N VAL A 213 11.318 -1.062 -0.243 1.00 9.23 N ANISOU 1457 N VAL A 213 999 1863 643 65 -5 -98 N ATOM 1458 CA VAL A 213 10.046 -0.385 -0.202 1.00 8.48 C ANISOU 1458 CA VAL A 213 1160 1706 353 86 -13 -88 C ATOM 1459 C VAL A 213 10.174 0.861 -1.106 1.00 8.60 C ANISOU 1459 C VAL A 213 896 1715 655 213 56 -122 C ATOM 1460 O VAL A 213 11.112 1.685 -0.963 1.00 9.04 O ANISOU 1460 O VAL A 213 1341 1858 232 -32 -126 -42 O ATOM 1461 CB VAL A 213 9.709 0.047 1.254 1.00 9.09 C ANISOU 1461 CB VAL A 213 1338 1696 417 205 18 -135 C ATOM 1462 CG1 VAL A 213 8.293 0.604 1.269 1.00 10.89 C ANISOU 1462 CG1 VAL A 213 1297 2081 759 83 -17 115 C ATOM 1463 CG2 VAL A 213 9.758 -1.131 2.242 1.00 10.40 C ANISOU 1463 CG2 VAL A 213 1665 1720 566 196 97 -37 C ATOM 0 H VAL A 213 11.662 -1.194 0.534 1.00 9.23 H new ATOM 0 HA VAL A 213 9.335 -0.969 -0.508 1.00 8.48 H new ATOM 0 HB VAL A 213 10.369 0.703 1.529 1.00 9.09 H new ATOM 0 HG11 VAL A 213 8.063 0.880 2.170 1.00 10.89 H new ATOM 0 HG12 VAL A 213 8.239 1.368 0.674 1.00 10.89 H new ATOM 0 HG13 VAL A 213 7.673 -0.080 0.973 1.00 10.89 H new ATOM 0 HG21 VAL A 213 9.542 -0.815 3.133 1.00 10.40 H new ATOM 0 HG22 VAL A 213 9.115 -1.806 1.974 1.00 10.40 H new ATOM 0 HG23 VAL A 213 10.648 -1.516 2.243 1.00 10.40 H new ATOM 1464 N THR A 214 9.173 1.058 -1.969 1.00 7.90 N ANISOU 1464 N THR A 214 998 1540 461 152 -16 -38 N ATOM 1465 CA THR A 214 9.231 2.260 -2.790 1.00 9.32 C ANISOU 1465 CA THR A 214 1169 1631 741 223 -145 19 C ATOM 1466 C THR A 214 8.953 3.506 -1.993 1.00 10.99 C ANISOU 1466 C THR A 214 1157 1712 1306 269 160 -236 C ATOM 1467 O THR A 214 8.396 3.478 -0.863 1.00 12.13 O ANISOU 1467 O THR A 214 1458 2183 966 349 -91 -145 O ATOM 1468 CB THR A 214 8.283 2.138 -3.985 1.00 10.78 C ANISOU 1468 CB THR A 214 1553 2031 511 250 -263 -57 C ATOM 1469 OG1 THR A 214 6.950 1.919 -3.555 1.00 11.94 O ANISOU 1469 OG1 THR A 214 1405 2210 921 112 -352 -61 O ATOM 1470 CG2 THR A 214 8.776 1.065 -4.970 1.00 12.82 C ANISOU 1470 CG2 THR A 214 2162 1853 856 332 -264 -28 C ATOM 0 H THR A 214 8.495 0.543 -2.088 1.00 7.90 H new ATOM 0 HA THR A 214 10.137 2.343 -3.125 1.00 9.32 H new ATOM 0 HB THR A 214 8.283 2.979 -4.468 1.00 10.78 H new ATOM 0 HG1 THR A 214 6.840 1.103 -3.387 1.00 11.94 H new ATOM 0 HG21 THR A 214 8.161 1.005 -5.718 1.00 12.82 H new ATOM 0 HG22 THR A 214 9.658 1.305 -5.295 1.00 12.82 H new ATOM 0 HG23 THR A 214 8.820 0.207 -4.519 1.00 12.82 H new ATOM 1471 N SER A 215 9.165 4.666 -2.595 1.00 11.49 N ANISOU 1471 N SER A 215 1807 1635 921 269 -439 -203 N ATOM 1472 CA SER A 215 9.196 5.924 -1.884 1.00 13.03 C ANISOU 1472 CA SER A 215 2147 1887 914 376 -480 -275 C ATOM 1473 C SER A 215 8.268 6.969 -2.482 1.00 16.06 C ANISOU 1473 C SER A 215 2975 2168 957 708 -658 -131 C ATOM 1474 O SER A 215 8.413 8.182 -2.124 1.00 19.33 O ANISOU 1474 O SER A 215 3864 2096 1383 759 -618 -269 O ATOM 1475 CB SER A 215 10.624 6.418 -1.692 1.00 14.91 C ANISOU 1475 CB SER A 215 2574 1970 1121 -34 -329 -487 C ATOM 1476 OG SER A 215 11.299 6.725 -2.951 1.00 17.21 O ANISOU 1476 OG SER A 215 2780 2263 1496 -398 -393 -135 O ATOM 0 H SER A 215 9.297 4.742 -3.441 1.00 11.49 H new ATOM 0 HA SER A 215 8.839 5.759 -0.997 1.00 13.03 H new ATOM 0 HB2 SER A 215 10.614 7.212 -1.135 1.00 14.91 H new ATOM 0 HB3 SER A 215 11.132 5.744 -1.215 1.00 14.91 H new ATOM 0 HG SER A 215 11.029 6.200 -3.549 1.00 17.21 H new ATOM 1477 N GLY A 216 7.322 6.548 -3.340 1.00 18.61 N ANISOU 1477 N GLY A 216 2729 2589 1751 1217 -1097 -329 N ATOM 1478 CA GLY A 216 6.215 7.409 -3.749 1.00 21.69 C ANISOU 1478 CA GLY A 216 3047 2797 2394 1363 -899 -277 C ATOM 1479 C GLY A 216 5.071 7.433 -2.703 1.00 19.43 C ANISOU 1479 C GLY A 216 2582 2977 1820 1531 -1348 -330 C ATOM 1480 O GLY A 216 4.878 6.449 -1.933 1.00 21.57 O ANISOU 1480 O GLY A 216 3212 2364 2616 1276 -985 -450 O ATOM 0 H GLY A 216 7.310 5.764 -3.693 1.00 18.61 H new ATOM 0 HA2 GLY A 216 6.544 8.311 -3.887 1.00 21.69 H new ATOM 0 HA3 GLY A 216 5.866 7.101 -4.600 1.00 21.69 H new ATOM 1481 N SER A 217 4.294 8.504 -2.698 1.00 18.93 N ANISOU 1481 N SER A 217 2665 2550 1977 1349 -1421 -651 N ATOM 1482 CA SER A 217 3.146 8.586 -1.772 1.00 19.75 C ANISOU 1482 CA SER A 217 2377 1935 3192 573 -1245 -337 C ATOM 1483 C SER A 217 2.123 7.564 -2.203 1.00 20.28 C ANISOU 1483 C SER A 217 2392 1893 3419 796 -1528 -1014 C ATOM 1484 O SER A 217 1.912 7.337 -3.399 1.00 27.79 O ANISOU 1484 O SER A 217 3636 3152 3770 1100 -2355 -1594 O ATOM 1485 CB SER A 217 2.501 9.938 -1.785 1.00 16.68 C ANISOU 1485 CB SER A 217 2413 2238 1685 791 -508 -559 C ATOM 1486 OG SER A 217 3.556 10.809 -1.375 1.00 18.09 O ANISOU 1486 OG SER A 217 2617 2767 1489 605 -270 -85 O ATOM 0 H SER A 217 4.401 9.188 -3.208 1.00 18.93 H new ATOM 0 HA SER A 217 3.470 8.420 -0.873 1.00 19.75 H new ATOM 0 HB2 SER A 217 2.169 10.168 -2.667 1.00 16.68 H new ATOM 0 HB3 SER A 217 1.746 9.980 -1.178 1.00 16.68 H new ATOM 0 HG SER A 217 4.015 11.027 -2.044 1.00 18.09 H new ATOM 1487 N ARG A 218 1.408 7.004 -1.218 1.00 23.80 N ANISOU 1487 N ARG A 218 2959 2382 3700 255 -2096 -482 N ATOM 1488 CA ARG A 218 0.372 5.997 -1.375 1.00 23.62 C ANISOU 1488 CA ARG A 218 2859 1891 4223 412 -1732 70 C ATOM 1489 C ARG A 218 -0.480 5.813 -0.166 1.00 25.24 C ANISOU 1489 C ARG A 218 2021 1990 5579 499 -2139 280 C ATOM 1490 O ARG A 218 -0.036 6.141 0.957 1.00 25.46 O ANISOU 1490 O ARG A 218 1832 2513 5329 269 -1218 -565 O ATOM 1491 CB ARG A 218 0.999 4.693 -1.783 1.00 24.73 C ANISOU 1491 CB ARG A 218 2921 2396 4078 291 -2009 -296 C ATOM 1492 CG ARG A 218 2.041 4.187 -0.774 1.00 19.85 C ANISOU 1492 CG ARG A 218 2011 1886 3645 -145 -1447 -5 C ATOM 1493 CD ARG A 218 2.591 2.804 -1.094 1.00 21.63 C ANISOU 1493 CD ARG A 218 2467 2067 3682 124 -1047 434 C ATOM 1494 NE ARG A 218 1.651 1.753 -0.907 1.00 19.18 N ANISOU 1494 NE ARG A 218 1926 2034 3324 265 -789 86 N ATOM 1495 CZ ARG A 218 1.421 1.109 0.266 1.00 17.04 C ANISOU 1495 CZ ARG A 218 1513 2025 2933 272 -607 -905 C ATOM 1496 NH1 ARG A 218 2.033 1.482 1.386 1.00 15.44 N ANISOU 1496 NH1 ARG A 218 1538 1704 2623 -120 -712 -333 N ATOM 1497 NH2 ARG A 218 0.460 0.172 0.319 1.00 15.98 N ANISOU 1497 NH2 ARG A 218 1222 2333 2515 147 -435 -1015 N ATOM 0 H ARG A 218 1.529 7.221 -0.395 1.00 23.80 H new ATOM 0 HA ARG A 218 -0.226 6.316 -2.069 1.00 23.62 H new ATOM 0 HB2 ARG A 218 0.304 4.024 -1.886 1.00 24.73 H new ATOM 0 HB3 ARG A 218 1.421 4.800 -2.650 1.00 24.73 H new ATOM 0 HG2 ARG A 218 2.777 4.818 -0.739 1.00 19.85 H new ATOM 0 HG3 ARG A 218 1.641 4.169 0.109 1.00 19.85 H new ATOM 0 HD2 ARG A 218 2.897 2.792 -2.014 1.00 21.63 H new ATOM 0 HD3 ARG A 218 3.366 2.636 -0.535 1.00 21.63 H new ATOM 0 HE ARG A 218 1.192 1.506 -1.591 1.00 19.18 H new ATOM 0 HH11 ARG A 218 2.585 2.141 1.375 1.00 15.44 H new ATOM 0 HH12 ARG A 218 1.877 1.064 2.121 1.00 15.44 H new ATOM 0 HH21 ARG A 218 0.000 -0.013 -0.384 1.00 15.98 H new ATOM 0 HH22 ARG A 218 0.304 -0.243 1.056 1.00 15.98 H new ATOM 1498 N VAL A 219 -1.718 5.298 -0.352 1.00 26.22 N ANISOU 1498 N VAL A 219 2136 2085 5738 -194 -1740 231 N ATOM 1499 CA VAL A 219 -2.468 4.867 0.809 1.00 27.68 C ANISOU 1499 CA VAL A 219 1663 2748 6105 333 -1184 -794 C ATOM 1500 C VAL A 219 -1.823 3.683 1.414 1.00 20.95 C ANISOU 1500 C VAL A 219 1367 2618 3973 574 -753 -868 C ATOM 1501 O VAL A 219 -1.323 2.858 0.630 1.00 21.49 O ANISOU 1501 O VAL A 219 1779 2463 3921 98 -173 -1262 O ATOM 1502 CB VAL A 219 -3.957 4.377 0.500 1.00 29.12 C ANISOU 1502 CB VAL A 219 2179 3939 4943 -433 -1343 340 C ATOM 1503 CG1 VAL A 219 -4.861 5.409 0.602 1.00 28.07 C ANISOU 1503 CG1 VAL A 219 3020 3547 4096 14 607 -573 C ATOM 1504 CG2 VAL A 219 -4.136 3.718 -0.880 1.00 35.19 C ANISOU 1504 CG2 VAL A 219 2408 4335 6626 531 -2073 -748 C ATOM 0 H VAL A 219 -2.111 5.200 -1.111 1.00 26.22 H new ATOM 0 HA VAL A 219 -2.490 5.653 1.377 1.00 27.68 H new ATOM 0 HB VAL A 219 -4.127 3.702 1.175 1.00 29.12 H new ATOM 0 HG11 VAL A 219 -5.752 5.079 0.409 1.00 28.07 H new ATOM 0 HG12 VAL A 219 -4.839 5.771 1.501 1.00 28.07 H new ATOM 0 HG13 VAL A 219 -4.630 6.105 -0.032 1.00 28.07 H new ATOM 0 HG21 VAL A 219 -5.061 3.449 -0.993 1.00 35.19 H new ATOM 0 HG22 VAL A 219 -3.897 4.351 -1.575 1.00 35.19 H new ATOM 0 HG23 VAL A 219 -3.563 2.938 -0.943 1.00 35.19 H new ATOM 1505 N CYS A 220 -2.031 3.506 2.723 1.00 23.28 N ANISOU 1505 N CYS A 220 1310 3580 3955 392 -441 -1705 N ATOM 1506 CA CYS A 220 -1.437 2.360 3.432 1.00 20.03 C ANISOU 1506 CA CYS A 220 1204 3752 2655 81 -133 -1576 C ATOM 1507 C CYS A 220 -2.635 1.622 4.031 1.00 20.07 C ANISOU 1507 C CYS A 220 1179 3820 2626 -139 -370 -2279 C ATOM 1508 O CYS A 220 -3.614 2.239 4.533 1.00 26.20 O ANISOU 1508 O CYS A 220 1523 4546 3882 560 -172 -2495 O ATOM 1509 CB CYS A 220 -0.500 2.742 4.587 1.00 19.85 C ANISOU 1509 CB CYS A 220 1836 3593 2110 -154 -194 -1504 C ATOM 1510 SG CYS A 220 0.738 3.873 3.997 1.00 23.44 S ANISOU 1510 SG CYS A 220 1670 5067 2167 -250 262 -1704 S ATOM 0 H CYS A 220 -2.505 4.028 3.215 1.00 23.28 H new ATOM 0 HA CYS A 220 -0.896 1.849 2.810 1.00 20.03 H new ATOM 0 HB2 CYS A 220 -1.007 3.149 5.307 1.00 19.85 H new ATOM 0 HB3 CYS A 220 -0.079 1.948 4.951 1.00 19.85 H new ATOM 1511 N GLY A 221 -2.443 0.315 4.085 1.00 21.74 N ANISOU 1511 N GLY A 221 1387 3506 3367 -194 459 -2349 N ATOM 1512 CA GLY A 221 -3.413 -0.561 4.789 1.00 21.51 C ANISOU 1512 CA GLY A 221 1239 3517 3415 -353 166 -1889 C ATOM 1513 C GLY A 221 -4.687 -0.888 4.024 1.00 22.13 C ANISOU 1513 C GLY A 221 1264 3785 3359 -238 248 -2010 C ATOM 1514 O GLY A 221 -5.541 -1.506 4.567 1.00 24.74 O ANISOU 1514 O GLY A 221 1321 4949 3127 -965 404 -2122 O ATOM 0 H GLY A 221 -1.774 -0.094 3.732 1.00 21.74 H new ATOM 0 HA2 GLY A 221 -2.968 -1.393 5.013 1.00 21.51 H new ATOM 0 HA3 GLY A 221 -3.658 -0.136 5.626 1.00 21.51 H new ATOM 1515 N ASN A 222 -4.765 -0.520 2.748 1.00 21.87 N ANISOU 1515 N ASN A 222 1462 3968 2879 -304 181 -1911 N ATOM 1516 CA ASN A 222 -5.899 -0.793 1.888 1.00 23.48 C ANISOU 1516 CA ASN A 222 1773 3836 3313 -172 -149 -1773 C ATOM 1517 C ASN A 222 -5.619 -1.915 0.920 1.00 19.98 C ANISOU 1517 C ASN A 222 1477 2905 3208 -324 -644 -1352 C ATOM 1518 O ASN A 222 -4.687 -1.768 0.145 1.00 19.73 O ANISOU 1518 O ASN A 222 1429 2877 3187 45 -464 -821 O ATOM 1519 CB ASN A 222 -6.252 0.461 1.088 1.00 23.72 C ANISOU 1519 CB ASN A 222 1601 3327 4081 133 -212 -1597 C ATOM 1520 CG ASN A 222 -7.525 0.312 0.336 1.00 29.67 C ANISOU 1520 CG ASN A 222 2331 3667 5274 651 -1044 -1821 C ATOM 1521 OD1 ASN A 222 -7.784 -0.666 -0.335 1.00 25.37 O ANISOU 1521 OD1 ASN A 222 2184 3552 3903 341 -783 -1123 O ATOM 1522 ND2 ASN A 222 -8.340 1.293 0.493 1.00 30.31 N ANISOU 1522 ND2 ASN A 222 3098 2889 5526 710 -1081 -402 N ATOM 0 H ASN A 222 -4.135 -0.090 2.351 1.00 21.87 H new ATOM 0 HA ASN A 222 -6.636 -1.058 2.460 1.00 23.48 H new ATOM 0 HB2 ASN A 222 -6.322 1.218 1.691 1.00 23.72 H new ATOM 0 HB3 ASN A 222 -5.533 0.659 0.467 1.00 23.72 H new ATOM 0 HD21 ASN A 222 -9.111 1.276 0.113 1.00 30.31 H new ATOM 0 HD22 ASN A 222 -8.114 1.966 0.978 1.00 30.31 H new ATOM 1523 N ARG A 223 -6.346 -3.025 1.067 1.00 19.56 N ANISOU 1523 N ARG A 223 1640 3174 2617 -458 -408 -763 N ATOM 1524 CA ARG A 223 -6.054 -4.184 0.281 1.00 19.90 C ANISOU 1524 CA ARG A 223 2505 2718 2337 -299 -221 -205 C ATOM 1525 C ARG A 223 -6.012 -3.970 -1.242 1.00 18.46 C ANISOU 1525 C ARG A 223 1366 2620 3027 180 -340 -446 C ATOM 1526 O ARG A 223 -5.270 -4.675 -1.874 1.00 19.72 O ANISOU 1526 O ARG A 223 2507 2590 2396 472 -1010 -801 O ATOM 1527 CB ARG A 223 -6.925 -5.334 0.628 1.00 24.76 C ANISOU 1527 CB ARG A 223 2421 3885 3100 -743 252 -551 C ATOM 1528 CG ARG A 223 -8.308 -5.290 0.164 1.00 34.35 C ANISOU 1528 CG ARG A 223 3781 4892 4377 -1136 -888 528 C ATOM 1529 CD ARG A 223 -8.757 -6.760 0.029 1.00 48.86 C ANISOU 1529 CD ARG A 223 5029 5905 7629 -2913 -484 -1113 C ATOM 1530 NE ARG A 223 -9.091 -7.306 1.346 1.00 51.72 N ANISOU 1530 NE ARG A 223 6469 7364 5817 -3065 -1151 -2155 N ATOM 1531 CZ ARG A 223 -10.194 -6.971 2.003 1.00 58.80 C ANISOU 1531 CZ ARG A 223 8207 8426 5707 322 -478 -1547 C ATOM 1532 NH1 ARG A 223 -10.442 -7.514 3.183 1.00 72.09 N ANISOU 1532 NH1 ARG A 223 8815 9897 8677 -652 585 1511 N ATOM 1533 NH2 ARG A 223 -11.061 -6.101 1.469 1.00 63.08 N ANISOU 1533 NH2 ARG A 223 9260 5169 9539 44 1178 -141 N ATOM 0 H ARG A 223 -7.003 -3.111 1.615 1.00 19.56 H new ATOM 0 HA ARG A 223 -5.140 -4.393 0.528 1.00 19.90 H new ATOM 0 HB2 ARG A 223 -6.515 -6.139 0.274 1.00 24.76 H new ATOM 0 HB3 ARG A 223 -6.935 -5.422 1.594 1.00 24.76 H new ATOM 0 HG2 ARG A 223 -8.870 -4.811 0.793 1.00 34.35 H new ATOM 0 HG3 ARG A 223 -8.375 -4.827 -0.686 1.00 34.35 H new ATOM 0 HD2 ARG A 223 -9.527 -6.818 -0.558 1.00 48.86 H new ATOM 0 HD3 ARG A 223 -8.050 -7.286 -0.377 1.00 48.86 H new ATOM 0 HE ARG A 223 -8.550 -7.867 1.709 1.00 51.72 H new ATOM 0 HH11 ARG A 223 -9.890 -8.081 3.520 1.00 72.09 H new ATOM 0 HH12 ARG A 223 -11.155 -7.300 3.613 1.00 72.09 H new ATOM 0 HH21 ARG A 223 -10.904 -5.757 0.697 1.00 63.08 H new ATOM 0 HH22 ARG A 223 -11.775 -5.887 1.898 1.00 63.08 H new ATOM 1534 N LYS A 223A -6.788 -3.030 -1.769 1.00 18.94 N ANISOU 1534 N LYS A 223A 1818 2237 3140 231 -535 -447 N ATOM 1535 CA LYS A 223A -6.783 -2.735 -3.182 1.00 21.75 C ANISOU 1535 CA LYS A 223A 2229 2799 3236 286 -1065 -268 C ATOM 1536 C LYS A 223A -5.646 -1.861 -3.660 1.00 22.44 C ANISOU 1536 C LYS A 223A 2103 2891 3529 404 -1074 -273 C ATOM 1537 O LYS A 223A -5.586 -1.508 -4.850 1.00 22.17 O ANISOU 1537 O LYS A 223A 2215 2977 3230 586 -509 -76 O ATOM 1538 CB LYS A 223A -8.093 -2.153 -3.574 1.00 25.85 C ANISOU 1538 CB LYS A 223A 2094 3606 4121 543 -268 327 C ATOM 1539 CG LYS A 223A -9.279 -3.017 -3.171 1.00 33.05 C ANISOU 1539 CG LYS A 223A 2849 4487 5219 -804 -1343 169 C ATOM 1540 CD LYS A 223A -9.688 -3.832 -4.316 1.00 40.59 C ANISOU 1540 CD LYS A 223A 5537 3909 5976 -1849 -492 -112 C ATOM 1541 CE LYS A 223A -11.136 -4.239 -4.248 1.00 45.96 C ANISOU 1541 CE LYS A 223A 5468 5043 6949 -1512 -705 -256 C ATOM 1542 NZ LYS A 223A -11.244 -5.470 -5.120 1.00 67.31 N ANISOU 1542 NZ LYS A 223A 8501 7349 9725 -1661 -335 -2244 N ATOM 0 H LYS A 223A -7.332 -2.547 -1.310 1.00 18.94 H new ATOM 0 HA LYS A 223A -6.635 -3.585 -3.625 1.00 21.75 H new ATOM 0 HB2 LYS A 223A -8.186 -1.277 -3.167 1.00 25.85 H new ATOM 0 HB3 LYS A 223A -8.107 -2.022 -4.535 1.00 25.85 H new ATOM 0 HG2 LYS A 223A -9.039 -3.587 -2.423 1.00 33.05 H new ATOM 0 HG3 LYS A 223A -10.016 -2.458 -2.878 1.00 33.05 H new ATOM 0 HD2 LYS A 223A -9.533 -3.335 -5.134 1.00 40.59 H new ATOM 0 HD3 LYS A 223A -9.134 -4.627 -4.358 1.00 40.59 H new ATOM 0 HE2 LYS A 223A -11.403 -4.431 -3.336 1.00 45.96 H new ATOM 0 HE3 LYS A 223A -11.715 -3.530 -4.570 1.00 45.96 H new ATOM 0 HZ1 LYS A 223A -12.075 -5.786 -5.086 1.00 67.31 H new ATOM 0 HZ2 LYS A 223A -11.042 -5.257 -5.960 1.00 67.31 H new ATOM 0 HZ3 LYS A 223A -10.678 -6.092 -4.828 1.00 67.31 H new ATOM 1543 N LYS A 224 -4.749 -1.433 -2.771 1.00 16.84 N ANISOU 1543 N LYS A 224 1622 2188 2585 226 -108 -859 N ATOM 1544 CA LYS A 224 -3.595 -0.623 -3.119 1.00 17.12 C ANISOU 1544 CA LYS A 224 1596 2114 2793 191 126 29 C ATOM 1545 C LYS A 224 -2.356 -1.245 -2.443 1.00 16.35 C ANISOU 1545 C LYS A 224 1368 2030 2814 -269 -248 -425 C ATOM 1546 O LYS A 224 -1.832 -0.757 -1.487 1.00 16.91 O ANISOU 1546 O LYS A 224 1680 2103 2642 6 -53 -680 O ATOM 1547 CB LYS A 224 -3.833 0.834 -2.819 1.00 22.37 C ANISOU 1547 CB LYS A 224 2009 2380 4107 -29 519 -854 C ATOM 1548 CG LYS A 224 -4.942 1.550 -3.664 1.00 23.67 C ANISOU 1548 CG LYS A 224 2731 1963 4298 430 876 308 C ATOM 1549 CD LYS A 224 -4.534 1.759 -5.116 1.00 30.62 C ANISOU 1549 CD LYS A 224 2960 4413 4259 374 1375 200 C ATOM 1550 CE LYS A 224 -5.658 2.092 -6.148 1.00 36.07 C ANISOU 1550 CE LYS A 224 4006 4691 5005 370 801 -300 C ATOM 1551 NZ LYS A 224 -6.639 0.975 -6.242 1.00 31.38 N ANISOU 1551 NZ LYS A 224 4160 4199 3564 766 -462 -75 N ATOM 0 H LYS A 224 -4.801 -1.613 -1.932 1.00 16.84 H new ATOM 0 HA LYS A 224 -3.432 -0.630 -4.075 1.00 17.12 H new ATOM 0 HB2 LYS A 224 -4.065 0.917 -1.881 1.00 22.37 H new ATOM 0 HB3 LYS A 224 -2.998 1.311 -2.948 1.00 22.37 H new ATOM 0 HG2 LYS A 224 -5.756 1.024 -3.634 1.00 23.67 H new ATOM 0 HG3 LYS A 224 -5.145 2.409 -3.262 1.00 23.67 H new ATOM 0 HD2 LYS A 224 -3.883 2.478 -5.142 1.00 30.62 H new ATOM 0 HD3 LYS A 224 -4.082 0.955 -5.417 1.00 30.62 H new ATOM 0 HE2 LYS A 224 -6.114 2.907 -5.884 1.00 36.07 H new ATOM 0 HE3 LYS A 224 -5.264 2.256 -7.019 1.00 36.07 H new ATOM 0 HZ1 LYS A 224 -6.787 0.780 -7.098 1.00 31.38 H new ATOM 0 HZ2 LYS A 224 -6.314 0.258 -5.827 1.00 31.38 H new ATOM 0 HZ3 LYS A 224 -7.404 1.218 -5.857 1.00 31.38 H new ATOM 1552 N PRO A 225 -1.949 -2.388 -3.012 1.00 14.76 N ANISOU 1552 N PRO A 225 1536 1673 2399 54 -216 -135 N ATOM 1553 CA PRO A 225 -0.817 -3.124 -2.470 1.00 12.66 C ANISOU 1553 CA PRO A 225 1705 1729 1376 16 -224 -333 C ATOM 1554 C PRO A 225 0.459 -2.387 -2.368 1.00 11.86 C ANISOU 1554 C PRO A 225 1420 1313 1772 138 -222 -241 C ATOM 1555 O PRO A 225 0.671 -1.365 -3.047 1.00 12.94 O ANISOU 1555 O PRO A 225 1678 1707 1531 -124 -215 -87 O ATOM 1556 CB PRO A 225 -0.618 -4.254 -3.427 1.00 14.95 C ANISOU 1556 CB PRO A 225 1951 1741 1988 111 -257 -383 C ATOM 1557 CG PRO A 225 -1.963 -4.454 -4.142 1.00 15.36 C ANISOU 1557 CG PRO A 225 2383 1975 1477 -127 -508 -591 C ATOM 1558 CD PRO A 225 -2.590 -3.115 -4.165 1.00 15.40 C ANISOU 1558 CD PRO A 225 1411 2055 2383 -19 -79 -203 C ATOM 0 HA PRO A 225 -1.029 -3.365 -1.555 1.00 12.66 H new ATOM 0 HB2 PRO A 225 0.085 -4.049 -4.063 1.00 14.95 H new ATOM 0 HB3 PRO A 225 -0.351 -5.061 -2.959 1.00 14.95 H new ATOM 0 HG2 PRO A 225 -1.835 -4.797 -5.040 1.00 15.36 H new ATOM 0 HG3 PRO A 225 -2.519 -5.094 -3.671 1.00 15.36 H new ATOM 0 HD2 PRO A 225 -2.425 -2.661 -5.006 1.00 15.40 H new ATOM 0 HD3 PRO A 225 -3.552 -3.172 -4.057 1.00 15.40 H new ATOM 1559 N GLY A 226 1.265 -2.766 -1.347 1.00 11.04 N ANISOU 1559 N GLY A 226 1269 1966 957 -75 184 -67 N ATOM 1560 CA GLY A 226 2.576 -2.185 -1.287 1.00 11.43 C ANISOU 1560 CA GLY A 226 1544 1660 1137 -69 56 -223 C ATOM 1561 C GLY A 226 3.422 -2.586 -2.519 1.00 10.70 C ANISOU 1561 C GLY A 226 1480 1682 903 -1 -110 -210 C ATOM 1562 O GLY A 226 3.274 -3.669 -2.992 1.00 11.19 O ANISOU 1562 O GLY A 226 1411 1844 995 -186 58 -131 O ATOM 0 H GLY A 226 1.066 -3.326 -0.725 1.00 11.04 H new ATOM 0 HA2 GLY A 226 2.503 -1.219 -1.242 1.00 11.43 H new ATOM 0 HA3 GLY A 226 3.024 -2.473 -0.476 1.00 11.43 H new ATOM 1563 N ILE A 227 4.303 -1.650 -2.892 1.00 11.12 N ANISOU 1563 N ILE A 227 1542 1611 1070 -32 -20 -327 N ATOM 1564 CA ILE A 227 5.146 -1.885 -4.057 1.00 11.01 C ANISOU 1564 CA ILE A 227 1411 1763 1008 100 6 -230 C ATOM 1565 C ILE A 227 6.601 -1.815 -3.579 1.00 10.08 C ANISOU 1565 C ILE A 227 1210 1734 885 -3 19 88 C ATOM 1566 O ILE A 227 6.985 -0.960 -2.707 1.00 11.61 O ANISOU 1566 O ILE A 227 1524 1917 967 -49 66 -126 O ATOM 1567 CB ILE A 227 4.889 -0.836 -5.138 1.00 12.91 C ANISOU 1567 CB ILE A 227 1563 1905 1434 -277 -283 51 C ATOM 1568 CG1 ILE A 227 3.411 -0.752 -5.471 1.00 15.66 C ANISOU 1568 CG1 ILE A 227 1774 2241 1932 -377 -333 316 C ATOM 1569 CG2 ILE A 227 5.772 -1.082 -6.323 1.00 15.40 C ANISOU 1569 CG2 ILE A 227 1799 2501 1550 -81 -269 -97 C ATOM 1570 CD1 ILE A 227 3.142 0.358 -6.424 1.00 16.86 C ANISOU 1570 CD1 ILE A 227 2241 2564 1599 -71 -308 301 C ATOM 0 H ILE A 227 4.422 -0.897 -2.495 1.00 11.12 H new ATOM 0 HA ILE A 227 4.950 -2.751 -4.448 1.00 11.01 H new ATOM 0 HB ILE A 227 5.128 0.042 -4.803 1.00 12.91 H new ATOM 0 HG12 ILE A 227 3.114 -1.592 -5.855 1.00 15.66 H new ATOM 0 HG13 ILE A 227 2.900 -0.616 -4.658 1.00 15.66 H new ATOM 0 HG21 ILE A 227 5.599 -0.410 -7.001 1.00 15.40 H new ATOM 0 HG22 ILE A 227 6.701 -1.033 -6.050 1.00 15.40 H new ATOM 0 HG23 ILE A 227 5.588 -1.962 -6.687 1.00 15.40 H new ATOM 0 HD11 ILE A 227 2.193 0.392 -6.622 1.00 16.86 H new ATOM 0 HD12 ILE A 227 3.420 1.199 -6.028 1.00 16.86 H new ATOM 0 HD13 ILE A 227 3.637 0.208 -7.244 1.00 16.86 H new ATOM 1571 N TYR A 228 7.391 -2.744 -4.050 1.00 9.87 N ANISOU 1571 N TYR A 228 1296 1752 700 -40 -38 -66 N ATOM 1572 CA TYR A 228 8.804 -2.923 -3.630 1.00 9.29 C ANISOU 1572 CA TYR A 228 1434 1822 271 108 21 -157 C ATOM 1573 C TYR A 228 9.646 -3.144 -4.882 1.00 8.80 C ANISOU 1573 C TYR A 228 1247 1899 197 99 -125 -133 C ATOM 1574 O TYR A 228 9.271 -3.895 -5.808 1.00 11.50 O ANISOU 1574 O TYR A 228 1886 2037 446 -481 -19 -287 O ATOM 1575 CB TYR A 228 8.879 -4.169 -2.683 1.00 10.33 C ANISOU 1575 CB TYR A 228 1271 1894 757 -70 -41 0 C ATOM 1576 CG TYR A 228 7.866 -4.119 -1.545 1.00 10.48 C ANISOU 1576 CG TYR A 228 1447 1891 641 -274 144 -258 C ATOM 1577 CD1 TYR A 228 6.555 -4.429 -1.748 1.00 10.02 C ANISOU 1577 CD1 TYR A 228 1507 1696 604 -72 103 -68 C ATOM 1578 CD2 TYR A 228 8.282 -3.696 -0.252 1.00 10.24 C ANISOU 1578 CD2 TYR A 228 1110 2018 763 -259 58 -401 C ATOM 1579 CE1 TYR A 228 5.640 -4.361 -0.687 1.00 10.97 C ANISOU 1579 CE1 TYR A 228 1322 2043 803 -145 112 43 C ATOM 1580 CE2 TYR A 228 7.331 -3.602 0.776 1.00 12.09 C ANISOU 1580 CE2 TYR A 228 1466 2122 1003 -318 310 -473 C ATOM 1581 CZ TYR A 228 6.031 -3.922 0.571 1.00 11.94 C ANISOU 1581 CZ TYR A 228 1440 2257 836 -164 219 -111 C ATOM 1582 OH TYR A 228 5.112 -3.746 1.622 1.00 13.56 O ANISOU 1582 OH TYR A 228 1859 2555 736 -505 397 -289 O ATOM 0 H TYR A 228 7.137 -3.316 -4.640 1.00 9.87 H new ATOM 0 HA TYR A 228 9.138 -2.145 -3.156 1.00 9.29 H new ATOM 0 HB2 TYR A 228 8.732 -4.974 -3.204 1.00 10.33 H new ATOM 0 HB3 TYR A 228 9.772 -4.232 -2.311 1.00 10.33 H new ATOM 0 HD1 TYR A 228 6.266 -4.687 -2.593 1.00 10.02 H new ATOM 0 HD2 TYR A 228 9.173 -3.484 -0.090 1.00 10.24 H new ATOM 0 HE1 TYR A 228 4.756 -4.614 -0.829 1.00 10.97 H new ATOM 0 HE2 TYR A 228 7.600 -3.313 1.618 1.00 12.09 H new ATOM 0 HH TYR A 228 5.200 -2.976 1.945 1.00 13.56 H new ATOM 1583 N THR A 229 10.792 -2.475 -4.946 1.00 8.56 N ANISOU 1583 N THR A 229 1063 1758 429 -8 63 -294 N ATOM 1584 CA THR A 229 11.667 -2.604 -6.100 1.00 8.87 C ANISOU 1584 CA THR A 229 1085 1739 545 257 100 -229 C ATOM 1585 C THR A 229 12.443 -3.906 -5.972 1.00 9.01 C ANISOU 1585 C THR A 229 1339 1639 444 269 -133 -266 C ATOM 1586 O THR A 229 13.027 -4.132 -4.897 1.00 10.44 O ANISOU 1586 O THR A 229 1727 1900 337 335 -120 -35 O ATOM 1587 CB THR A 229 12.559 -1.386 -6.174 1.00 9.29 C ANISOU 1587 CB THR A 229 1373 1743 413 84 -44 90 C ATOM 1588 OG1 THR A 229 11.837 -0.225 -6.218 1.00 10.27 O ANISOU 1588 OG1 THR A 229 1566 1707 626 118 173 31 O ATOM 1589 CG2 THR A 229 13.564 -1.496 -7.360 1.00 11.29 C ANISOU 1589 CG2 THR A 229 1451 1810 1029 271 119 -241 C ATOM 0 H THR A 229 11.079 -1.944 -4.334 1.00 8.56 H new ATOM 0 HA THR A 229 11.167 -2.643 -6.931 1.00 8.87 H new ATOM 0 HB THR A 229 13.079 -1.356 -5.356 1.00 9.29 H new ATOM 0 HG1 THR A 229 12.048 0.261 -5.566 1.00 10.27 H new ATOM 0 HG21 THR A 229 14.123 -0.704 -7.385 1.00 11.29 H new ATOM 0 HG22 THR A 229 14.121 -2.281 -7.240 1.00 11.29 H new ATOM 0 HG23 THR A 229 13.074 -1.572 -8.194 1.00 11.29 H new ATOM 1590 N ARG A 230 12.483 -4.716 -7.010 1.00 9.59 N ANISOU 1590 N ARG A 230 1551 1670 421 151 1 -317 N ATOM 1591 CA ARG A 230 13.173 -5.982 -6.960 1.00 10.18 C ANISOU 1591 CA ARG A 230 1714 1836 317 100 -59 -224 C ATOM 1592 C ARG A 230 14.664 -5.776 -7.109 1.00 12.55 C ANISOU 1592 C ARG A 230 1557 2507 702 370 -314 -201 C ATOM 1593 O ARG A 230 15.145 -5.430 -8.168 1.00 12.43 O ANISOU 1593 O ARG A 230 1729 2156 837 256 112 -54 O ATOM 1594 CB ARG A 230 12.645 -6.935 -8.017 1.00 9.66 C ANISOU 1594 CB ARG A 230 1850 1672 149 197 -76 -179 C ATOM 1595 CG ARG A 230 11.200 -7.317 -7.841 1.00 11.25 C ANISOU 1595 CG ARG A 230 1891 1785 598 -3 -202 -40 C ATOM 1596 CD ARG A 230 10.699 -8.218 -8.968 1.00 11.41 C ANISOU 1596 CD ARG A 230 1840 1767 727 -45 -48 2 C ATOM 1597 NE ARG A 230 11.449 -9.419 -9.041 1.00 15.10 N ANISOU 1597 NE ARG A 230 2731 1934 1069 272 124 -310 N ATOM 1598 CZ ARG A 230 12.367 -9.735 -9.952 1.00 17.20 C ANISOU 1598 CZ ARG A 230 3515 2191 828 734 159 -177 C ATOM 1599 NH1 ARG A 230 12.464 -8.986 -11.021 1.00 16.70 N ANISOU 1599 NH1 ARG A 230 3241 2389 713 564 105 -249 N ATOM 1600 NH2 ARG A 230 13.142 -10.718 -9.782 1.00 18.46 N ANISOU 1600 NH2 ARG A 230 3392 2686 934 636 389 -63 N ATOM 0 H ARG A 230 12.109 -4.546 -7.766 1.00 9.59 H new ATOM 0 HA ARG A 230 13.006 -6.385 -6.094 1.00 10.18 H new ATOM 0 HB2 ARG A 230 12.757 -6.527 -8.890 1.00 9.66 H new ATOM 0 HB3 ARG A 230 13.185 -7.741 -8.009 1.00 9.66 H new ATOM 0 HG2 ARG A 230 11.089 -7.772 -6.992 1.00 11.25 H new ATOM 0 HG3 ARG A 230 10.657 -6.514 -7.806 1.00 11.25 H new ATOM 0 HD2 ARG A 230 9.763 -8.427 -8.825 1.00 11.41 H new ATOM 0 HD3 ARG A 230 10.758 -7.745 -9.813 1.00 11.41 H new ATOM 0 HE ARG A 230 11.294 -10.006 -8.432 1.00 15.10 H new ATOM 0 HH11 ARG A 230 11.942 -8.310 -11.121 1.00 16.70 H new ATOM 0 HH12 ARG A 230 13.049 -9.170 -11.623 1.00 16.70 H new ATOM 0 HH21 ARG A 230 13.081 -11.195 -9.069 1.00 18.46 H new ATOM 0 HH22 ARG A 230 13.730 -10.910 -10.379 1.00 18.46 H new ATOM 1601 N VAL A 231 15.459 -6.077 -6.095 1.00 10.88 N ANISOU 1601 N VAL A 231 1614 1810 707 458 -207 -168 N ATOM 1602 CA VAL A 231 16.912 -5.873 -6.125 1.00 10.33 C ANISOU 1602 CA VAL A 231 1599 1789 537 207 -124 -206 C ATOM 1603 C VAL A 231 17.562 -6.679 -7.248 1.00 12.19 C ANISOU 1603 C VAL A 231 1838 2209 582 267 -228 -456 C ATOM 1604 O VAL A 231 18.553 -6.172 -7.835 1.00 12.45 O ANISOU 1604 O VAL A 231 1605 2195 931 375 -142 -100 O ATOM 1605 CB VAL A 231 17.611 -6.025 -4.773 1.00 11.76 C ANISOU 1605 CB VAL A 231 1619 2173 676 385 -236 -153 C ATOM 1606 CG1 VAL A 231 17.036 -4.946 -3.822 1.00 12.34 C ANISOU 1606 CG1 VAL A 231 1720 2043 922 158 -213 -256 C ATOM 1607 CG2 VAL A 231 17.511 -7.441 -4.215 1.00 12.67 C ANISOU 1607 CG2 VAL A 231 2206 2117 489 484 -237 -131 C ATOM 0 H VAL A 231 15.173 -6.411 -5.356 1.00 10.88 H new ATOM 0 HA VAL A 231 17.044 -4.935 -6.332 1.00 10.33 H new ATOM 0 HB VAL A 231 18.565 -5.884 -4.875 1.00 11.76 H new ATOM 0 HG11 VAL A 231 17.463 -5.019 -2.954 1.00 12.34 H new ATOM 0 HG12 VAL A 231 17.205 -4.065 -4.192 1.00 12.34 H new ATOM 0 HG13 VAL A 231 16.080 -5.077 -3.724 1.00 12.34 H new ATOM 0 HG21 VAL A 231 17.968 -7.485 -3.360 1.00 12.67 H new ATOM 0 HG22 VAL A 231 16.578 -7.677 -4.095 1.00 12.67 H new ATOM 0 HG23 VAL A 231 17.924 -8.063 -4.834 1.00 12.67 H new ATOM 1608 N ALA A 232 17.088 -7.879 -7.494 1.00 10.75 N ANISOU 1608 N ALA A 232 1518 2037 530 240 -132 -300 N ATOM 1609 CA ALA A 232 17.712 -8.715 -8.507 1.00 12.29 C ANISOU 1609 CA ALA A 232 1753 2073 842 507 215 -144 C ATOM 1610 C ALA A 232 17.656 -8.068 -9.876 1.00 11.49 C ANISOU 1610 C ALA A 232 1671 2074 619 281 81 -226 C ATOM 1611 O ALA A 232 18.509 -8.309 -10.737 1.00 13.12 O ANISOU 1611 O ALA A 232 1548 2541 894 408 85 -256 O ATOM 1612 CB ALA A 232 17.106 -10.081 -8.568 1.00 12.94 C ANISOU 1612 CB ALA A 232 1925 1957 1032 462 351 -142 C ATOM 0 H ALA A 232 16.413 -8.231 -7.094 1.00 10.75 H new ATOM 0 HA ALA A 232 18.641 -8.809 -8.243 1.00 12.29 H new ATOM 0 HB1 ALA A 232 17.551 -10.602 -9.254 1.00 12.94 H new ATOM 0 HB2 ALA A 232 17.211 -10.521 -7.710 1.00 12.94 H new ATOM 0 HB3 ALA A 232 16.162 -10.007 -8.779 1.00 12.94 H new ATOM 1613 N SER A 233 16.618 -7.347 -10.113 1.00 10.96 N ANISOU 1613 N SER A 233 1617 2097 448 184 10 -363 N ATOM 1614 CA SER A 233 16.432 -6.600 -11.349 1.00 10.98 C ANISOU 1614 CA SER A 233 1723 1840 609 10 -176 -269 C ATOM 1615 C SER A 233 17.480 -5.543 -11.596 1.00 12.53 C ANISOU 1615 C SER A 233 1967 1664 1130 -75 -12 -269 C ATOM 1616 O SER A 233 17.664 -5.042 -12.729 1.00 13.62 O ANISOU 1616 O SER A 233 1998 2351 823 67 -23 -52 O ATOM 1617 CB SER A 233 15.014 -5.997 -11.419 1.00 13.43 C ANISOU 1617 CB SER A 233 1925 2878 299 248 -51 -196 C ATOM 1618 OG SER A 233 14.723 -5.599 -12.716 1.00 15.11 O ANISOU 1618 OG SER A 233 2120 3107 512 397 41 84 O ATOM 0 H SER A 233 15.968 -7.261 -9.556 1.00 10.96 H new ATOM 0 HA SER A 233 16.540 -7.246 -12.064 1.00 10.98 H new ATOM 0 HB2 SER A 233 14.363 -6.651 -11.121 1.00 13.43 H new ATOM 0 HB3 SER A 233 14.949 -5.238 -10.819 1.00 13.43 H new ATOM 0 HG SER A 233 14.580 -6.276 -13.192 1.00 15.11 H new ATOM 1619 N TYR A 234 18.152 -5.103 -10.535 1.00 10.90 N ANISOU 1619 N TYR A 234 1312 1920 910 13 319 -403 N ATOM 1620 CA TYR A 234 19.106 -3.997 -10.520 1.00 10.95 C ANISOU 1620 CA TYR A 234 1603 1947 607 -71 132 -425 C ATOM 1621 C TYR A 234 20.484 -4.492 -10.162 1.00 11.34 C ANISOU 1621 C TYR A 234 1665 1841 802 79 225 -158 C ATOM 1622 O TYR A 234 21.309 -3.665 -9.670 1.00 11.49 O ANISOU 1622 O TYR A 234 1728 2099 536 86 276 -478 O ATOM 1623 CB TYR A 234 18.577 -2.894 -9.618 1.00 11.16 C ANISOU 1623 CB TYR A 234 1438 1894 906 146 169 -261 C ATOM 1624 CG TYR A 234 17.393 -2.188 -10.199 1.00 11.44 C ANISOU 1624 CG TYR A 234 1729 1950 666 94 -35 -413 C ATOM 1625 CD1 TYR A 234 17.578 -1.185 -11.107 1.00 12.79 C ANISOU 1625 CD1 TYR A 234 1718 2215 925 183 -177 -170 C ATOM 1626 CD2 TYR A 234 16.078 -2.619 -9.951 1.00 11.63 C ANISOU 1626 CD2 TYR A 234 1662 2254 500 85 -54 -380 C ATOM 1627 CE1 TYR A 234 16.478 -0.611 -11.719 1.00 12.45 C ANISOU 1627 CE1 TYR A 234 2281 2115 333 141 -189 -14 C ATOM 1628 CE2 TYR A 234 14.974 -2.071 -10.555 1.00 13.21 C ANISOU 1628 CE2 TYR A 234 1512 2928 580 57 -173 -424 C ATOM 1629 CZ TYR A 234 15.175 -1.023 -11.445 1.00 14.47 C ANISOU 1629 CZ TYR A 234 1748 2506 1242 324 -77 -523 C ATOM 1630 OH TYR A 234 14.127 -0.419 -12.074 1.00 14.49 O ANISOU 1630 OH TYR A 234 2033 2861 611 357 54 10 O ATOM 0 H TYR A 234 18.058 -5.463 -9.760 1.00 10.90 H new ATOM 0 HA TYR A 234 19.200 -3.609 -11.404 1.00 10.95 H new ATOM 0 HB2 TYR A 234 18.333 -3.273 -8.759 1.00 11.16 H new ATOM 0 HB3 TYR A 234 19.283 -2.250 -9.453 1.00 11.16 H new ATOM 0 HD1 TYR A 234 18.436 -0.890 -11.312 1.00 12.79 H new ATOM 0 HD2 TYR A 234 15.949 -3.313 -9.345 1.00 11.63 H new ATOM 0 HE1 TYR A 234 16.613 0.073 -12.334 1.00 12.45 H new ATOM 0 HE2 TYR A 234 14.120 -2.391 -10.375 1.00 13.21 H new ATOM 0 HH TYR A 234 14.371 0.327 -12.372 1.00 14.49 H new ATOM 1631 N ALA A 235 20.755 -5.762 -10.297 1.00 13.26 N ANISOU 1631 N ALA A 235 1555 2026 1457 73 203 -327 N ATOM 1632 CA ALA A 235 22.019 -6.329 -9.816 1.00 13.70 C ANISOU 1632 CA ALA A 235 1831 2236 1135 292 199 -95 C ATOM 1633 C ALA A 235 23.217 -5.659 -10.477 1.00 14.72 C ANISOU 1633 C ALA A 235 1428 2421 1742 18 192 -752 C ATOM 1634 O ALA A 235 24.217 -5.347 -9.828 1.00 16.18 O ANISOU 1634 O ALA A 235 1560 2454 2134 245 0 -807 O ATOM 1635 CB ALA A 235 22.068 -7.732 -10.008 1.00 14.40 C ANISOU 1635 CB ALA A 235 1822 2156 1493 353 88 149 C ATOM 0 H ALA A 235 20.226 -6.331 -10.666 1.00 13.26 H new ATOM 0 HA ALA A 235 22.063 -6.155 -8.863 1.00 13.70 H new ATOM 0 HB1 ALA A 235 22.914 -8.074 -9.680 1.00 14.40 H new ATOM 0 HB2 ALA A 235 21.340 -8.151 -9.522 1.00 14.40 H new ATOM 0 HB3 ALA A 235 21.983 -7.933 -10.953 1.00 14.40 H new ATOM 1636 N ALA A 236 23.155 -5.411 -11.789 1.00 16.25 N ANISOU 1636 N ALA A 236 1575 2974 1623 -190 296 -1209 N ATOM 1637 CA ALA A 236 24.278 -4.693 -12.456 1.00 16.31 C ANISOU 1637 CA ALA A 236 1802 2864 1528 261 586 -1322 C ATOM 1638 C ALA A 236 24.536 -3.337 -11.948 1.00 12.73 C ANISOU 1638 C ALA A 236 1531 2583 721 -96 518 -635 C ATOM 1639 O ALA A 236 25.707 -2.966 -11.759 1.00 14.67 O ANISOU 1639 O ALA A 236 1575 2928 1069 277 224 -960 O ATOM 1640 CB ALA A 236 24.125 -4.714 -13.928 1.00 17.12 C ANISOU 1640 CB ALA A 236 1879 3164 1460 -387 446 -1472 C ATOM 0 H ALA A 236 22.503 -5.635 -12.303 1.00 16.25 H new ATOM 0 HA ALA A 236 25.076 -5.192 -12.220 1.00 16.31 H new ATOM 0 HB1 ALA A 236 24.867 -4.241 -14.337 1.00 17.12 H new ATOM 0 HB2 ALA A 236 24.116 -5.633 -14.240 1.00 17.12 H new ATOM 0 HB3 ALA A 236 23.292 -4.282 -14.173 1.00 17.12 H new ATOM 1641 N TRP A 237 23.485 -2.600 -11.676 1.00 12.23 N ANISOU 1641 N TRP A 237 1579 2564 502 -55 411 -370 N ATOM 1642 CA TRP A 237 23.641 -1.282 -11.134 1.00 11.94 C ANISOU 1642 CA TRP A 237 1710 2360 467 18 273 -232 C ATOM 1643 C TRP A 237 24.296 -1.323 -9.704 1.00 11.04 C ANISOU 1643 C TRP A 237 1535 2234 424 2 417 -109 C ATOM 1644 O TRP A 237 25.286 -0.663 -9.433 1.00 12.01 O ANISOU 1644 O TRP A 237 1652 2425 485 -4 257 -193 O ATOM 1645 CB TRP A 237 22.341 -0.522 -11.076 1.00 11.52 C ANISOU 1645 CB TRP A 237 1701 2213 464 19 195 92 C ATOM 1646 CG TRP A 237 22.477 0.793 -10.551 1.00 10.56 C ANISOU 1646 CG TRP A 237 1587 2113 311 93 -13 100 C ATOM 1647 CD1 TRP A 237 23.043 1.916 -11.147 1.00 12.17 C ANISOU 1647 CD1 TRP A 237 1907 2087 630 142 58 179 C ATOM 1648 CD2 TRP A 237 22.096 1.247 -9.243 1.00 10.25 C ANISOU 1648 CD2 TRP A 237 1493 2222 177 42 -124 264 C ATOM 1649 NE1 TRP A 237 23.069 3.005 -10.293 1.00 12.42 N ANISOU 1649 NE1 TRP A 237 1948 2143 628 -13 136 17 N ATOM 1650 CE2 TRP A 237 22.465 2.599 -9.102 1.00 11.51 C ANISOU 1650 CE2 TRP A 237 1650 2182 538 10 -18 160 C ATOM 1651 CE3 TRP A 237 21.439 0.613 -8.189 1.00 10.40 C ANISOU 1651 CE3 TRP A 237 1557 2239 156 26 -60 240 C ATOM 1652 CZ2 TRP A 237 22.176 3.312 -7.914 1.00 11.85 C ANISOU 1652 CZ2 TRP A 237 1504 2424 572 394 -194 113 C ATOM 1653 CZ3 TRP A 237 21.200 1.351 -7.034 1.00 10.64 C ANISOU 1653 CZ3 TRP A 237 1392 2368 281 68 38 20 C ATOM 1654 CH2 TRP A 237 21.580 2.621 -6.939 1.00 11.79 C ANISOU 1654 CH2 TRP A 237 1674 2108 697 439 -44 -40 C ATOM 0 H TRP A 237 22.671 -2.848 -11.799 1.00 12.23 H new ATOM 0 HA TRP A 237 24.233 -0.811 -11.741 1.00 11.94 H new ATOM 0 HB2 TRP A 237 21.965 -0.469 -11.969 1.00 11.52 H new ATOM 0 HB3 TRP A 237 21.709 -1.017 -10.531 1.00 11.52 H new ATOM 0 HD1 TRP A 237 23.367 1.933 -12.019 1.00 12.17 H new ATOM 0 HE1 TRP A 237 23.395 3.782 -10.463 1.00 12.42 H new ATOM 0 HE3 TRP A 237 21.169 -0.275 -8.256 1.00 10.40 H new ATOM 0 HZ2 TRP A 237 22.389 4.212 -7.818 1.00 11.85 H new ATOM 0 HZ3 TRP A 237 20.767 0.949 -6.316 1.00 10.64 H new ATOM 0 HH2 TRP A 237 21.419 3.060 -6.135 1.00 11.79 H new ATOM 1655 N ILE A 238 23.731 -2.178 -8.874 1.00 10.43 N ANISOU 1655 N ILE A 238 1507 2035 419 -62 96 -89 N ATOM 1656 CA ILE A 238 24.218 -2.277 -7.436 1.00 10.54 C ANISOU 1656 CA ILE A 238 1808 1943 251 237 354 21 C ATOM 1657 C ILE A 238 25.686 -2.649 -7.504 1.00 11.41 C ANISOU 1657 C ILE A 238 1708 2067 559 192 388 -45 C ATOM 1658 O ILE A 238 26.541 -2.066 -6.868 1.00 13.12 O ANISOU 1658 O ILE A 238 2017 2387 580 270 15 -301 O ATOM 1659 CB ILE A 238 23.384 -3.248 -6.655 1.00 11.85 C ANISOU 1659 CB ILE A 238 2007 1876 619 257 438 200 C ATOM 1660 CG1 ILE A 238 21.950 -2.698 -6.428 1.00 13.62 C ANISOU 1660 CG1 ILE A 238 1889 2119 1165 178 767 -72 C ATOM 1661 CG2 ILE A 238 24.020 -3.532 -5.327 1.00 13.32 C ANISOU 1661 CG2 ILE A 238 2364 1898 799 253 217 277 C ATOM 1662 CD1 ILE A 238 20.953 -3.747 -5.879 1.00 14.61 C ANISOU 1662 CD1 ILE A 238 2162 2078 1308 144 650 -156 C ATOM 0 H ILE A 238 23.085 -2.707 -9.079 1.00 10.43 H new ATOM 0 HA ILE A 238 24.125 -1.437 -6.960 1.00 10.54 H new ATOM 0 HB ILE A 238 23.327 -4.068 -7.170 1.00 11.85 H new ATOM 0 HG12 ILE A 238 21.994 -1.952 -5.809 1.00 13.62 H new ATOM 0 HG13 ILE A 238 21.610 -2.351 -7.267 1.00 13.62 H new ATOM 0 HG21 ILE A 238 23.471 -4.161 -4.833 1.00 13.32 H new ATOM 0 HG22 ILE A 238 24.902 -3.912 -5.465 1.00 13.32 H new ATOM 0 HG23 ILE A 238 24.099 -2.707 -4.823 1.00 13.32 H new ATOM 0 HD11 ILE A 238 20.082 -3.336 -5.762 1.00 14.61 H new ATOM 0 HD12 ILE A 238 20.881 -4.484 -6.505 1.00 14.61 H new ATOM 0 HD13 ILE A 238 21.270 -4.079 -5.025 1.00 14.61 H new ATOM 1663 N ASP A 239 26.007 -3.724 -8.321 1.00 12.62 N ANISOU 1663 N ASP A 239 1762 2290 743 451 20 -226 N ATOM 1664 CA ASP A 239 27.391 -4.174 -8.354 1.00 14.27 C ANISOU 1664 CA ASP A 239 1774 2541 1106 585 200 -240 C ATOM 1665 C ASP A 239 28.305 -3.058 -8.800 1.00 11.65 C ANISOU 1665 C ASP A 239 1481 2333 612 330 240 -463 C ATOM 1666 O ASP A 239 29.433 -2.852 -8.269 1.00 13.94 O ANISOU 1666 O ASP A 239 1552 2809 934 182 167 -185 O ATOM 1667 CB ASP A 239 27.524 -5.305 -9.329 1.00 15.85 C ANISOU 1667 CB ASP A 239 1771 2646 1602 423 357 -536 C ATOM 1668 CG ASP A 239 26.981 -6.612 -8.810 1.00 23.74 C ANISOU 1668 CG ASP A 239 2599 2646 3773 637 669 -628 C ATOM 1669 OD1 ASP A 239 26.889 -6.831 -7.628 1.00 28.92 O ANISOU 1669 OD1 ASP A 239 3277 3012 4699 608 1567 542 O ATOM 1670 OD2 ASP A 239 26.827 -7.480 -9.709 1.00 36.72 O ANISOU 1670 OD2 ASP A 239 2648 2948 8355 725 -360 -1773 O ATOM 0 H ASP A 239 25.457 -4.158 -8.819 1.00 12.62 H new ATOM 0 HA ASP A 239 27.639 -4.458 -7.461 1.00 14.27 H new ATOM 0 HB2 ASP A 239 27.060 -5.073 -10.148 1.00 15.85 H new ATOM 0 HB3 ASP A 239 28.460 -5.419 -9.556 1.00 15.85 H new ATOM 1671 N SER A 240 27.914 -2.274 -9.858 1.00 13.75 N ANISOU 1671 N SER A 240 1985 3051 185 -158 296 -211 N ATOM 1672 CA SER A 240 28.818 -1.191 -10.321 1.00 13.84 C ANISOU 1672 CA SER A 240 1849 3104 306 154 378 -500 C ATOM 1673 C SER A 240 29.036 -0.135 -9.264 1.00 13.03 C ANISOU 1673 C SER A 240 1397 3009 541 266 103 -364 C ATOM 1674 O SER A 240 30.172 0.243 -9.070 1.00 16.02 O ANISOU 1674 O SER A 240 1404 3678 1003 -194 307 -477 O ATOM 1675 CB SER A 240 28.146 -0.652 -11.557 1.00 14.48 C ANISOU 1675 CB SER A 240 2178 2984 339 -395 94 -329 C ATOM 1676 OG SER A 240 28.919 0.482 -11.936 1.00 17.71 O ANISOU 1676 OG SER A 240 2453 3477 798 -382 232 -257 O ATOM 0 H SER A 240 27.174 -2.353 -10.290 1.00 13.75 H new ATOM 0 HA SER A 240 29.713 -1.513 -10.509 1.00 13.84 H new ATOM 0 HB2 SER A 240 28.128 -1.316 -12.264 1.00 14.48 H new ATOM 0 HB3 SER A 240 27.226 -0.405 -11.376 1.00 14.48 H new ATOM 0 HG SER A 240 28.520 0.903 -12.543 1.00 17.71 H new ATOM 1677 N VAL A 241 27.981 0.325 -8.589 1.00 11.94 N ANISOU 1677 N VAL A 241 1613 2679 242 165 372 -197 N ATOM 1678 CA VAL A 241 28.139 1.332 -7.568 1.00 12.31 C ANISOU 1678 CA VAL A 241 1435 2644 597 10 69 -361 C ATOM 1679 C VAL A 241 29.016 0.863 -6.401 1.00 14.19 C ANISOU 1679 C VAL A 241 1384 2724 1282 194 10 -168 C ATOM 1680 O VAL A 241 29.913 1.566 -5.959 1.00 19.26 O ANISOU 1680 O VAL A 241 1990 3497 1828 222 -740 -812 O ATOM 1681 CB VAL A 241 26.781 1.901 -7.186 1.00 10.66 C ANISOU 1681 CB VAL A 241 1341 2374 332 -77 158 -164 C ATOM 1682 CG1 VAL A 241 26.974 2.906 -6.088 1.00 10.95 C ANISOU 1682 CG1 VAL A 241 1490 2179 492 241 -149 -160 C ATOM 1683 CG2 VAL A 241 26.096 2.531 -8.456 1.00 12.57 C ANISOU 1683 CG2 VAL A 241 1700 2459 614 -106 -328 -224 C ATOM 0 H VAL A 241 27.172 0.062 -8.714 1.00 11.94 H new ATOM 0 HA VAL A 241 28.647 2.076 -7.928 1.00 12.31 H new ATOM 0 HB VAL A 241 26.193 1.203 -6.859 1.00 10.66 H new ATOM 0 HG11 VAL A 241 26.115 3.277 -5.834 1.00 10.95 H new ATOM 0 HG12 VAL A 241 27.378 2.473 -5.320 1.00 10.95 H new ATOM 0 HG13 VAL A 241 27.554 3.618 -6.399 1.00 10.95 H new ATOM 0 HG21 VAL A 241 25.230 2.893 -8.211 1.00 12.57 H new ATOM 0 HG22 VAL A 241 26.656 3.241 -8.807 1.00 12.57 H new ATOM 0 HG23 VAL A 241 25.979 1.847 -9.134 1.00 12.57 H new ATOM 1684 N LEU A 242 28.714 -0.389 -5.998 1.00 13.80 N ANISOU 1684 N LEU A 242 1897 2917 426 302 -287 -474 N ATOM 1685 CA LEU A 242 29.444 -0.955 -4.858 1.00 15.37 C ANISOU 1685 CA LEU A 242 2344 3107 388 485 -262 -325 C ATOM 1686 C LEU A 242 30.908 -1.035 -5.131 1.00 22.01 C ANISOU 1686 C LEU A 242 2351 4065 1945 943 -927 -1089 C ATOM 1687 O LEU A 242 31.753 -0.984 -4.175 1.00 24.41 O ANISOU 1687 O LEU A 242 2607 4660 2007 1184 -1212 -1164 O ATOM 1688 CB LEU A 242 28.884 -2.296 -4.412 1.00 18.78 C ANISOU 1688 CB LEU A 242 3317 2854 964 1033 -137 -560 C ATOM 1689 CG LEU A 242 27.854 -2.470 -3.324 1.00 29.36 C ANISOU 1689 CG LEU A 242 4253 3223 3676 688 1620 -906 C ATOM 1690 CD1 LEU A 242 27.012 -1.309 -2.971 1.00 22.17 C ANISOU 1690 CD1 LEU A 242 2487 3507 2427 463 216 -1701 C ATOM 1691 CD2 LEU A 242 27.144 -3.858 -3.422 1.00 26.97 C ANISOU 1691 CD2 LEU A 242 4236 3354 2657 707 661 -801 C ATOM 0 H LEU A 242 28.120 -0.899 -6.354 1.00 13.80 H new ATOM 0 HA LEU A 242 29.315 -0.343 -4.116 1.00 15.37 H new ATOM 0 HB2 LEU A 242 28.509 -2.708 -5.206 1.00 18.78 H new ATOM 0 HB3 LEU A 242 29.648 -2.832 -4.148 1.00 18.78 H new ATOM 0 HG LEU A 242 28.369 -2.489 -2.502 1.00 29.36 H new ATOM 0 HD11 LEU A 242 26.398 -1.558 -2.263 1.00 22.17 H new ATOM 0 HD12 LEU A 242 27.576 -0.580 -2.668 1.00 22.17 H new ATOM 0 HD13 LEU A 242 26.508 -1.025 -3.750 1.00 22.17 H new ATOM 0 HD21 LEU A 242 26.490 -3.938 -2.710 1.00 26.97 H new ATOM 0 HD22 LEU A 242 26.699 -3.934 -4.280 1.00 26.97 H new ATOM 0 HD23 LEU A 242 27.802 -4.565 -3.336 1.00 26.97 H new ATOM 1692 N ALA A 243 31.311 -1.228 -6.388 1.00 19.38 N ANISOU 1692 N ALA A 243 1675 3918 1768 162 -278 -455 N ATOM 1693 CA ALA A 243 32.698 -1.324 -6.789 1.00 23.72 C ANISOU 1693 CA ALA A 243 1988 4632 2390 -253 -142 -544 C ATOM 1694 C ALA A 243 33.341 -0.024 -7.023 1.00 23.74 C ANISOU 1694 C ALA A 243 2049 5179 1791 -262 -541 -164 C ATOM 1695 O ALA A 243 34.609 -0.007 -7.208 1.00 31.82 O ANISOU 1695 O ALA A 243 2030 6684 3373 946 74 672 O ATOM 1696 CB ALA A 243 32.843 -2.205 -8.012 1.00 27.43 C ANISOU 1696 CB ALA A 243 2395 4993 3034 639 71 -1050 C ATOM 0 H ALA A 243 30.762 -1.308 -7.045 1.00 19.38 H new ATOM 0 HA ALA A 243 33.161 -1.726 -6.038 1.00 23.72 H new ATOM 0 HB1 ALA A 243 33.778 -2.257 -8.265 1.00 27.43 H new ATOM 0 HB2 ALA A 243 32.513 -3.095 -7.811 1.00 27.43 H new ATOM 0 HB3 ALA A 243 32.331 -1.829 -8.745 1.00 27.43 H new ATOM 1697 N SER A 244 32.542 1.060 -6.992 1.00 25.04 N ANISOU 1697 N SER A 244 2045 4311 3155 -763 -268 -418 N ATOM 1698 CA SER A 244 33.025 2.376 -7.416 1.00 27.90 C ANISOU 1698 CA SER A 244 2568 4643 3389 -1198 382 105 C ATOM 1699 C SER A 244 33.947 3.056 -6.387 1.00 31.97 C ANISOU 1699 C SER A 244 2083 5430 4632 -1144 15 -222 C ATOM 1700 O SER A 244 34.603 4.064 -6.729 1.00 34.78 O ANISOU 1700 O SER A 244 3433 5104 4678 -1097 1265 -965 O ATOM 1701 CB SER A 244 31.857 3.314 -7.714 1.00 26.12 C ANISOU 1701 CB SER A 244 2979 4149 2794 -1016 -129 -160 C ATOM 1702 OG SER A 244 31.106 3.660 -6.548 1.00 25.06 O ANISOU 1702 OG SER A 244 2610 3777 3134 -125 -241 -218 O ATOM 0 H SER A 244 31.723 1.048 -6.729 1.00 25.04 H new ATOM 0 HA SER A 244 33.546 2.211 -8.217 1.00 27.90 H new ATOM 0 HB2 SER A 244 32.196 4.124 -8.126 1.00 26.12 H new ATOM 0 HB3 SER A 244 31.267 2.893 -8.359 1.00 26.12 H new ATOM 0 HG SER A 244 30.965 2.970 -6.090 1.00 25.06 H new ATOM 1703 N ALA A 245 34.024 2.495 -5.192 1.00 33.04 N ANISOU 1703 N ALA A 245 2899 5655 4001 -1100 -217 -1505 N ATOM 1704 CA ALA A 245 35.098 2.848 -4.269 1.00 39.12 C ANISOU 1704 CA ALA A 245 3447 6359 5055 -51 -1289 -848 C ATOM 1705 C ALA A 245 36.361 2.137 -4.784 1.00 38.50 C ANISOU 1705 C ALA A 245 1944 8161 4522 643 -899 560 C ATOM 1706 O ALA A 245 37.370 2.177 -4.155 1.00 65.78 O ANISOU 1706 O ALA A 245 4836 12028 8126 -1948 -3484 1127 O ATOM 1707 CB ALA A 245 34.736 2.384 -2.856 1.00 43.73 C ANISOU 1707 CB ALA A 245 5571 5838 5204 612 -567 97 C ATOM 0 H ALA A 245 33.469 1.910 -4.893 1.00 33.04 H new ATOM 0 HA ALA A 245 35.242 3.806 -4.227 1.00 39.12 H new ATOM 0 HB1 ALA A 245 35.451 2.620 -2.245 1.00 43.73 H new ATOM 0 HB2 ALA A 245 33.915 2.816 -2.574 1.00 43.73 H new ATOM 0 HB3 ALA A 245 34.612 1.422 -2.853 1.00 43.73 H new TER 1708 ALA A 245 HETATM 1709 S DMS A 301 20.056 -6.158 -14.728 1.00 18.36 S ANISOU 1709 S DMS A 301 2736 3241 1000 75 88 -88 S HETATM 1710 O DMS A 301 20.878 -5.653 -13.579 1.00 19.00 O ANISOU 1710 O DMS A 301 2620 3804 794 78 -222 -655 O HETATM 1711 C1 DMS A 301 21.100 -6.700 -16.018 1.00 18.50 C ANISOU 1711 C1 DMS A 301 2944 3454 630 189 156 -117 C HETATM 1712 C2 DMS A 301 19.570 -7.756 -14.110 1.00 19.51 C ANISOU 1712 C2 DMS A 301 2862 3128 1421 -79 259 644 C HETATM 0 H23 DMS A 301 19.045 -8.218 -14.783 1.00 19.51 H new HETATM 0 H22 DMS A 301 20.361 -8.278 -13.904 1.00 19.51 H new HETATM 0 H21 DMS A 301 19.038 -7.644 -13.306 1.00 19.51 H new HETATM 0 H13 DMS A 301 20.561 -7.039 -16.750 1.00 18.50 H new HETATM 0 H12 DMS A 301 21.639 -5.957 -16.332 1.00 18.50 H new HETATM 0 H11 DMS A 301 21.680 -7.405 -15.690 1.00 18.50 H new HETATM 1713 S DMS A 302 11.017 -11.781 -13.264 1.00 37.90 S ANISOU 1713 S DMS A 302 5804 4721 3873 56 242 -1033 S HETATM 1714 O DMS A 302 9.580 -11.025 -13.145 1.00 45.16 O ANISOU 1714 O DMS A 302 3636 8841 4680 185 -490 1830 O HETATM 1715 C1 DMS A 302 10.764 -13.397 -13.721 1.00 31.40 C ANISOU 1715 C1 DMS A 302 3170 5274 3486 -733 240 -2759 C HETATM 1716 C2 DMS A 302 11.965 -10.943 -14.465 1.00 33.77 C ANISOU 1716 C2 DMS A 302 3533 5091 4205 -537 1652 -1068 C HETATM 0 H23 DMS A 302 12.829 -11.375 -14.555 1.00 33.77 H new HETATM 0 H22 DMS A 302 11.502 -10.966 -15.317 1.00 33.77 H new HETATM 0 H21 DMS A 302 12.092 -10.021 -14.192 1.00 33.77 H new HETATM 0 H13 DMS A 302 11.618 -13.851 -13.793 1.00 31.40 H new HETATM 0 H12 DMS A 302 10.218 -13.841 -13.053 1.00 31.40 H new HETATM 0 H11 DMS A 302 10.311 -13.424 -14.578 1.00 31.40 H new HETATM 1717 C4 8NQ A 303 10.898 10.736 1.375 1.00 12.84 C ANISOU 1717 C4 8NQ A 303 1834 1841 1203 -311 264 61 C HETATM 1718 C14 8NQ A 303 4.330 6.617 1.637 1.00 9.98 C ANISOU 1718 C14 8NQ A 303 1307 1318 1167 67 -199 -143 C HETATM 1719 C5 8NQ A 303 9.636 10.121 1.027 1.00 11.81 C ANISOU 1719 C5 8NQ A 303 1455 1671 1359 -166 45 229 C HETATM 1720 C6 8NQ A 303 10.909 9.647 0.474 1.00 13.48 C ANISOU 1720 C6 8NQ A 303 1749 1865 1506 251 16 -70 C HETATM 1721 C11 8NQ A 303 3.149 9.076 1.877 1.00 11.83 C ANISOU 1721 C11 8NQ A 303 1449 1529 1515 414 55 -226 C HETATM 1722 C7 8NQ A 303 8.087 8.680 2.199 1.00 9.54 C ANISOU 1722 C7 8NQ A 303 1152 1493 979 -197 144 -19 C HETATM 1723 C8 8NQ A 303 7.429 8.299 0.889 1.00 11.25 C ANISOU 1723 C8 8NQ A 303 1481 1674 1117 -46 -63 -334 C HETATM 1724 C9 8NQ A 303 5.045 7.789 1.408 1.00 10.34 C ANISOU 1724 C9 8NQ A 303 1319 1585 1023 82 58 -244 C HETATM 1725 C10 8NQ A 303 4.480 9.057 1.566 1.00 11.65 C ANISOU 1725 C10 8NQ A 303 1474 1564 1387 97 12 -93 C HETATM 1726 C12 8NQ A 303 2.401 7.935 2.107 1.00 12.58 C ANISOU 1726 C12 8NQ A 303 1215 2051 1514 158 64 -210 C HETATM 1727 C13 8NQ A 303 2.953 6.674 1.960 1.00 13.28 C ANISOU 1727 C13 8NQ A 303 1413 1949 1684 61 -89 -58 C HETATM 1728 N1 8NQ A 303 9.072 9.551 2.182 1.00 10.93 N ANISOU 1728 N1 8NQ A 303 1257 1757 1138 -253 63 -154 N HETATM 1729 N2 8NQ A 303 6.309 7.417 1.096 1.00 10.29 N ANISOU 1729 N2 8NQ A 303 1289 1599 1021 64 -108 -46 N HETATM 1730 C3 8NQ A 303 11.067 10.717 2.849 1.00 11.35 C ANISOU 1730 C3 8NQ A 303 1462 1759 1090 84 89 -184 C HETATM 1731 N3 8NQ A 303 5.945 3.376 0.924 1.00 12.17 N ANISOU 1731 N3 8NQ A 303 1273 1798 1553 79 -224 -148 N HETATM 1732 O1 8NQ A 303 8.117 11.175 4.259 1.00 13.72 O ANISOU 1732 O1 8NQ A 303 1682 2115 1414 291 58 -224 O HETATM 1733 C1 8NQ A 303 9.046 10.434 4.492 1.00 10.38 C ANISOU 1733 C1 8NQ A 303 1462 1467 1014 95 72 -232 C HETATM 1734 C2 8NQ A 303 9.862 9.912 3.316 1.00 11.12 C ANISOU 1734 C2 8NQ A 303 1531 1488 1205 -10 13 -394 C HETATM 1735 C15 8NQ A 303 5.245 5.566 1.378 1.00 10.11 C ANISOU 1735 C15 8NQ A 303 1234 1491 1115 -10 -403 -245 C HETATM 1736 C16 8NQ A 303 4.995 4.150 1.409 1.00 10.87 C ANISOU 1736 C16 8NQ A 303 1263 1608 1259 99 -21 -156 C HETATM 1737 O2 8NQ A 303 3.940 3.710 1.902 1.00 15.02 O ANISOU 1737 O2 8NQ A 303 1477 2079 2148 222 -196 -432 O HETATM 1738 N4 8NQ A 303 6.429 6.094 1.064 1.00 11.15 N ANISOU 1738 N4 8NQ A 303 1473 1556 1205 -113 -115 82 N HETATM 1739 O3 8NQ A 303 7.753 8.152 3.244 1.00 11.05 O ANISOU 1739 O3 8NQ A 303 1445 1832 920 -27 136 -124 O HETATM 1740 N5 8NQ A 303 9.444 10.032 5.739 1.00 11.70 N ANISOU 1740 N5 8NQ A 303 1488 1943 1013 207 10 -258 N HETATM 1741 C17 8NQ A 303 8.733 10.234 6.960 1.00 10.97 C ANISOU 1741 C17 8NQ A 303 1626 1558 981 91 84 -375 C HETATM 1742 C18 8NQ A 303 7.815 11.239 7.120 1.00 13.24 C ANISOU 1742 C18 8NQ A 303 1863 2112 1052 241 -375 -500 C HETATM 1743 C19 8NQ A 303 7.116 11.292 8.334 1.00 12.71 C ANISOU 1743 C19 8NQ A 303 1758 1706 1362 614 -131 -278 C HETATM 1744 C20 8NQ A 303 7.290 10.304 9.249 1.00 12.28 C ANISOU 1744 C20 8NQ A 303 1822 1584 1259 629 -354 -313 C HETATM 1745 C21 8NQ A 303 8.239 9.352 9.075 1.00 13.75 C ANISOU 1745 C21 8NQ A 303 1364 1671 2188 152 555 -1316 C HETATM 1746 BR1 8NQ A 303 8.488 7.968 10.279 1.00 14.61 BR ANISOU 1746 BR1 8NQ A 303 1969 2688 894 8 144 -391 BR HETATM 1747 N6 8NQ A 303 8.925 9.285 7.903 1.00 12.08 N ANISOU 1747 N6 8NQ A 303 1655 1869 1064 170 303 -334 N HETATM 1748 O HOH A 401 1.033 6.992 23.515 1.00 32.82 O ANISOU 1748 O HOH A 401 3916 5651 2903 1427 -672 -1195 O HETATM 1749 O HOH A 402 8.060 -10.238 10.772 1.00 37.03 O ANISOU 1749 O HOH A 402 5257 5688 3124 -1985 421 -1527 O HETATM 1750 O HOH A 403 28.654 -6.723 -6.012 1.00 34.02 O ANISOU 1750 O HOH A 403 4363 5057 3506 -281 -740 -722 O HETATM 1751 O HOH A 404 4.886 0.498 1.231 1.00 21.10 O ANISOU 1751 O HOH A 404 2430 3569 2018 -204 195 -797 O HETATM 1752 O HOH A 405 9.778 14.651 1.834 1.00 37.09 O ANISOU 1752 O HOH A 405 6447 5101 2542 2568 1207 1074 O HETATM 1753 O HOH A 406 13.088 -6.933 7.472 1.00 25.89 O ANISOU 1753 O HOH A 406 3025 3915 2897 62 460 -1343 O HETATM 1754 O HOH A 407 30.755 8.771 10.195 1.00 28.00 O ANISOU 1754 O HOH A 407 2594 5894 2149 -721 -442 816 O HETATM 1755 O HOH A 408 4.261 -14.096 -6.795 1.00 28.64 O ANISOU 1755 O HOH A 408 3432 4992 2455 363 -180 -518 O HETATM 1756 O HOH A 409 28.790 8.639 -7.403 1.00 26.24 O ANISOU 1756 O HOH A 409 4256 3736 1974 -704 131 -448 O HETATM 1757 O HOH A 410 10.037 -15.978 3.467 1.00 34.04 O ANISOU 1757 O HOH A 410 4284 5749 2898 565 -53 387 O HETATM 1758 O HOH A 411 34.017 -3.384 8.802 1.00 34.15 O ANISOU 1758 O HOH A 411 3521 4000 5453 422 218 1442 O HETATM 1759 O HOH A 412 -9.907 -4.859 6.016 1.00 57.34 O ANISOU 1759 O HOH A 412 4068 8655 9060 -1947 1268 2125 O HETATM 1760 O HOH A 413 -6.155 2.292 4.967 1.00 36.10 O ANISOU 1760 O HOH A 413 3575 4565 5576 283 1471 -1844 O HETATM 1761 O HOH A 414 14.320 -14.904 -1.211 1.00 22.82 O ANISOU 1761 O HOH A 414 3225 3052 2391 -219 907 -375 O HETATM 1762 O HOH A 415 25.590 -8.357 -11.811 1.00 45.22 O ANISOU 1762 O HOH A 415 8185 5976 3018 3263 -1254 -1037 O HETATM 1763 O HOH A 416 13.341 -11.721 -7.168 1.00 31.93 O ANISOU 1763 O HOH A 416 6202 4218 1710 -1801 -1307 248 O HETATM 1764 O HOH A 417 20.151 -10.379 -11.589 1.00 21.78 O ANISOU 1764 O HOH A 417 2890 3057 2327 -224 729 -957 O HETATM 1765 O HOH A 418 7.125 -0.208 20.228 1.00 20.96 O ANISOU 1765 O HOH A 418 3251 2857 1854 -308 316 -101 O HETATM 1766 O HOH A 419 16.299 -18.140 1.121 1.00 35.79 O ANISOU 1766 O HOH A 419 5521 3144 4934 -706 -879 567 O HETATM 1767 O HOH A 420 7.007 1.503 11.997 1.00 15.45 O ANISOU 1767 O HOH A 420 2320 3004 545 -909 380 -694 O HETATM 1768 O HOH A 421 23.453 -11.145 14.295 1.00 35.53 O ANISOU 1768 O HOH A 421 5317 3015 5166 752 -1532 -476 O HETATM 1769 O HOH A 422 28.463 -0.103 13.253 1.00 15.72 O ANISOU 1769 O HOH A 422 2068 2693 1210 -184 -383 307 O HETATM 1770 O HOH A 423 12.238 1.268 -4.077 1.00 10.85 O ANISOU 1770 O HOH A 423 1734 1909 478 115 240 -113 O HETATM 1771 O HOH A 424 11.521 1.106 -8.588 1.00 13.16 O ANISOU 1771 O HOH A 424 1812 2433 755 -192 -359 98 O HETATM 1772 O HOH A 425 -4.003 -8.559 -14.385 1.00 22.87 O ANISOU 1772 O HOH A 425 3198 4302 1190 -94 -416 509 O HETATM 1773 O HOH A 426 23.428 9.065 -9.409 1.00 20.82 O ANISOU 1773 O HOH A 426 2775 2778 2357 -285 822 -88 O HETATM 1774 O HOH A 427 21.655 -2.169 12.039 1.00 17.30 O ANISOU 1774 O HOH A 427 2990 2412 1170 358 -1119 -356 O HETATM 1775 O HOH A 428 -4.151 -11.980 3.881 1.00 46.15 O ANISOU 1775 O HOH A 428 9062 4231 4242 -2165 2666 -977 O HETATM 1776 O HOH A 429 16.648 10.025 -14.602 1.00 32.33 O ANISOU 1776 O HOH A 429 5668 5378 1236 -608 197 -178 O HETATM 1777 O HOH A 430 14.020 14.031 1.792 1.00 27.73 O ANISOU 1777 O HOH A 430 3549 3484 3501 749 532 435 O HETATM 1778 O HOH A 431 2.603 -1.298 13.560 1.00 35.29 O ANISOU 1778 O HOH A 431 7274 4618 1514 -1935 1193 -805 O HETATM 1779 O HOH A 432 2.618 -19.288 -5.022 1.00 23.20 O ANISOU 1779 O HOH A 432 2868 3088 2857 -535 305 -512 O HETATM 1780 O HOH A 433 14.279 -7.713 -14.367 1.00 21.76 O ANISOU 1780 O HOH A 433 2615 3340 2313 721 -738 -1138 O HETATM 1781 O HOH A 434 27.536 1.421 -14.013 1.00 18.21 O ANISOU 1781 O HOH A 434 3402 2990 525 -27 394 -15 O HETATM 1782 O HOH A 435 26.944 13.034 5.919 1.00 22.39 O ANISOU 1782 O HOH A 435 2170 3197 3137 -674 561 -1495 O HETATM 1783 O HOH A 436 -0.809 0.080 13.265 1.00 35.70 O ANISOU 1783 O HOH A 436 6766 3839 2958 -1056 2822 -630 O HETATM 1784 O HOH A 437 11.655 -0.186 -11.094 1.00 17.15 O ANISOU 1784 O HOH A 437 1817 3403 1294 488 -348 -736 O HETATM 1785 O HOH A 438 25.934 -11.146 5.244 1.00 32.47 O ANISOU 1785 O HOH A 438 4399 4723 3212 1414 1032 1048 O HETATM 1786 O HOH A 439 5.550 1.829 -12.747 1.00 37.26 O ANISOU 1786 O HOH A 439 3447 3225 7484 489 -1046 982 O HETATM 1787 O HOH A 440 35.412 9.216 4.505 1.00 38.81 O ANISOU 1787 O HOH A 440 3415 5189 6141 -1389 -1284 3277 O HETATM 1788 O HOH A 441 14.388 7.570 26.775 1.00 16.98 O ANISOU 1788 O HOH A 441 2889 2846 715 -75 224 6 O HETATM 1789 O HOH A 442 -0.773 -13.309 -1.796 1.00 21.90 O ANISOU 1789 O HOH A 442 2982 3336 2000 -1611 1058 -763 O HETATM 1790 O HOH A 443 4.399 -9.182 -7.116 1.00 15.99 O ANISOU 1790 O HOH A 443 2445 2483 1148 -731 367 -681 O HETATM 1791 O HOH A 444 36.288 6.201 13.251 1.00 84.91 O ANISOU 1791 O HOH A 444 14358 14414 3487 -3483 -578 2024 O HETATM 1792 O HOH A 445 20.215 10.107 15.120 1.00 16.60 O ANISOU 1792 O HOH A 445 2566 3154 585 -1012 19 -308 O HETATM 1793 O HOH A 446 2.438 -4.138 1.338 1.00 14.00 O ANISOU 1793 O HOH A 446 1972 2356 992 -216 132 -216 O HETATM 1794 O HOH A 447 9.901 -0.292 -13.143 1.00 19.37 O ANISOU 1794 O HOH A 447 2724 2584 2049 -334 -885 56 O HETATM 1795 O HOH A 448 8.427 -19.227 -1.452 1.00 28.33 O ANISOU 1795 O HOH A 448 3009 3011 4742 448 -1515 -656 O HETATM 1796 O HOH A 449 18.800 2.463 -18.296 1.00 16.15 O ANISOU 1796 O HOH A 449 2697 2469 971 -450 198 -204 O HETATM 1797 O HOH A 450 21.443 24.326 -1.514 1.00 30.05 O ANISOU 1797 O HOH A 450 2936 4551 3928 415 907 1402 O HETATM 1798 O HOH A 451 30.745 -4.806 -6.942 1.00 28.12 O ANISOU 1798 O HOH A 451 3277 3634 3771 1686 -830 -1116 O HETATM 1799 O HOH A 452 14.437 9.089 24.500 1.00 21.72 O ANISOU 1799 O HOH A 452 4698 2971 582 -571 -147 -191 O HETATM 1800 O HOH A 453 11.894 7.275 -9.943 1.00 18.12 O ANISOU 1800 O HOH A 453 2004 3465 1413 601 -12 -272 O HETATM 1801 O HOH A 454 22.649 14.245 13.583 1.00 46.43 O ANISOU 1801 O HOH A 454 6864 7940 2835 -1513 -475 -3327 O HETATM 1802 O HOH A 455 5.448 4.177 -3.359 1.00 34.84 O ANISOU 1802 O HOH A 455 2205 3635 7398 882 -1076 -2474 O HETATM 1803 O HOH A 456 18.949 -9.611 18.851 1.00 47.81 O ANISOU 1803 O HOH A 456 10534 4731 2901 520 345 110 O HETATM 1804 O HOH A 457 1.940 -17.218 3.498 1.00 29.36 O ANISOU 1804 O HOH A 457 3494 4635 3025 -1444 -207 896 O HETATM 1805 O HOH A 458 -0.993 -7.166 4.398 1.00 22.31 O ANISOU 1805 O HOH A 458 2732 3867 1877 -716 361 -807 O HETATM 1806 O HOH A 459 15.012 16.660 9.094 1.00 41.06 O ANISOU 1806 O HOH A 459 5148 3876 6575 -358 2812 -137 O HETATM 1807 O HOH A 460 25.099 -8.403 1.185 1.00 17.80 O ANISOU 1807 O HOH A 460 2170 2907 1685 73 -40 100 O HETATM 1808 O HOH A 461 17.933 8.711 15.627 1.00 14.53 O ANISOU 1808 O HOH A 461 2391 2457 671 -713 261 -477 O HETATM 1809 O HOH A 462 26.953 -6.922 -1.485 1.00 19.21 O ANISOU 1809 O HOH A 462 2727 2994 1576 -167 -186 -241 O HETATM 1810 O HOH A 463 -6.331 -7.977 -3.339 1.00 24.83 O ANISOU 1810 O HOH A 463 2887 3373 3172 -489 -366 -178 O HETATM 1811 O HOH A 464 8.152 10.848 -2.752 1.00 25.89 O ANISOU 1811 O HOH A 464 3110 2882 3844 563 -718 -802 O HETATM 1812 O HOH A 465 12.284 -0.442 22.907 1.00 20.50 O ANISOU 1812 O HOH A 465 3282 4026 477 689 366 3 O HETATM 1813 O HOH A 466 11.415 12.956 8.230 1.00 22.67 O ANISOU 1813 O HOH A 466 2998 3360 2254 140 574 -469 O HETATM 1814 O HOH A 467 -10.417 -1.346 0.102 1.00 35.21 O ANISOU 1814 O HOH A 467 3043 5090 5242 -281 -313 -1220 O HETATM 1815 O HOH A 468 28.057 -0.511 15.946 1.00 18.63 O ANISOU 1815 O HOH A 468 2351 3587 1139 -29 -432 128 O HETATM 1816 O HOH A 469 21.798 -13.947 -4.627 1.00 35.04 O ANISOU 1816 O HOH A 469 5428 4781 3101 1821 2094 711 O HETATM 1817 O HOH A 470 5.450 7.046 19.265 1.00 22.35 O ANISOU 1817 O HOH A 470 3377 4250 863 1133 270 330 O HETATM 1818 O HOH A 471 6.991 -7.373 20.336 1.00 22.41 O ANISOU 1818 O HOH A 471 3181 3588 1746 101 761 448 O HETATM 1819 O HOH A 472 19.970 -0.234 -13.843 1.00 27.22 O ANISOU 1819 O HOH A 472 3588 5832 922 2001 -363 -1170 O HETATM 1820 O HOH A 473 12.123 9.007 18.815 1.00 36.99 O ANISOU 1820 O HOH A 473 6779 3913 3361 215 -1375 403 O HETATM 1821 O HOH A 474 -2.361 2.756 -8.256 1.00 36.54 O ANISOU 1821 O HOH A 474 7752 3164 2965 1062 -1430 -921 O HETATM 1822 O HOH A 475 23.260 -2.739 21.548 1.00 30.19 O ANISOU 1822 O HOH A 475 4034 6324 1109 142 -316 1459 O HETATM 1823 O HOH A 476 27.871 -3.942 -13.194 1.00 20.04 O ANISOU 1823 O HOH A 476 2094 3670 1848 41 383 -902 O HETATM 1824 O HOH A 477 17.284 -11.072 10.779 1.00 41.44 O ANISOU 1824 O HOH A 477 8633 4004 3109 -686 -1034 -85 O HETATM 1825 O HOH A 478 -3.435 -6.437 -0.763 1.00 20.91 O ANISOU 1825 O HOH A 478 2428 2721 2794 63 -1215 -445 O HETATM 1826 O HOH A 479 26.741 10.563 -6.498 1.00 25.90 O ANISOU 1826 O HOH A 479 4439 3170 2232 -339 390 419 O HETATM 1827 O HOH A 480 19.855 -13.682 6.547 1.00 38.15 O ANISOU 1827 O HOH A 480 4890 6282 3320 -686 -2356 1571 O HETATM 1828 O HOH A 481 4.783 10.547 -4.519 1.00 35.27 O ANISOU 1828 O HOH A 481 5679 4586 3136 1776 955 1776 O HETATM 1829 O HOH A 482 19.388 21.741 7.282 1.00 35.78 O ANISOU 1829 O HOH A 482 4240 4977 4374 -1254 492 324 O HETATM 1830 O HOH A 483 18.394 11.191 21.456 1.00 25.20 O ANISOU 1830 O HOH A 483 3707 3516 2350 -595 -384 -419 O HETATM 1831 O HOH A 484 19.004 -2.503 13.669 1.00 13.99 O ANISOU 1831 O HOH A 484 2309 2618 389 -399 0 -21 O HETATM 1832 O HOH A 485 15.968 10.474 15.146 1.00 20.23 O ANISOU 1832 O HOH A 485 2885 3489 1310 -453 235 -342 O HETATM 1833 O HOH A 486 32.116 0.547 -11.049 1.00 24.04 O ANISOU 1833 O HOH A 486 2551 4920 1661 -235 780 -302 O HETATM 1834 O HOH A 487 11.869 0.598 6.500 1.00 11.04 O ANISOU 1834 O HOH A 487 1466 2220 506 -234 290 -563 O HETATM 1835 O HOH A 488 9.870 7.061 13.668 1.00 14.69 O ANISOU 1835 O HOH A 488 2298 2643 640 -716 439 -518 O HETATM 1836 O HOH A 489 26.789 12.650 -2.498 1.00 39.38 O ANISOU 1836 O HOH A 489 5481 3506 5974 -1763 528 1091 O HETATM 1837 O HOH A 490 20.761 -3.707 15.518 1.00 14.35 O ANISOU 1837 O HOH A 490 2550 2491 411 -278 60 178 O HETATM 1838 O HOH A 491 -2.805 0.490 0.856 1.00 17.87 O ANISOU 1838 O HOH A 491 1476 2786 2527 -29 90 -1096 O HETATM 1839 O HOH A 492 21.063 13.215 9.681 1.00 18.91 O ANISOU 1839 O HOH A 492 2605 3020 1557 -520 554 -457 O HETATM 1840 O HOH A 493 20.210 8.506 19.147 1.00 25.85 O ANISOU 1840 O HOH A 493 4116 4120 1584 -2030 580 -542 O HETATM 1841 O HOH A 494 32.084 14.253 10.238 1.00 28.55 O ANISOU 1841 O HOH A 494 4686 3914 2246 -1152 537 368 O HETATM 1842 O HOH A 495 14.851 -9.242 -6.150 1.00 14.60 O ANISOU 1842 O HOH A 495 2307 2021 1220 66 329 -187 O HETATM 1843 O HOH A 496 28.057 10.935 12.465 1.00 56.08 O ANISOU 1843 O HOH A 496 4601 3913 12792 -1392 2063 -3235 O HETATM 1844 O HOH A 497 16.523 -3.271 16.389 1.00 13.27 O ANISOU 1844 O HOH A 497 2427 2331 283 -469 27 -52 O HETATM 1845 O HOH A 498 19.865 0.847 12.715 1.00 11.23 O ANISOU 1845 O HOH A 498 1617 2249 400 -153 63 7 O HETATM 1846 O HOH A 499 8.518 9.511 18.013 1.00 33.73 O ANISOU 1846 O HOH A 499 4733 5388 2695 -1256 -873 -925 O HETATM 1847 O HOH A 500 6.312 11.075 -0.795 1.00 36.76 O ANISOU 1847 O HOH A 500 2655 6402 4909 885 65 3603 O HETATM 1848 O HOH A 501 37.157 6.044 5.422 1.00 39.17 O ANISOU 1848 O HOH A 501 2961 7289 4633 -687 726 1008 O HETATM 1849 O HOH A 502 -1.378 13.399 14.330 1.00 23.72 O ANISOU 1849 O HOH A 502 3912 4085 1014 -768 870 -824 O HETATM 1850 O HOH A 503 14.743 -6.460 14.719 1.00 16.00 O ANISOU 1850 O HOH A 503 2405 2850 824 -465 318 -228 O HETATM 1851 O HOH A 504 12.057 2.762 8.307 1.00 10.84 O ANISOU 1851 O HOH A 504 1488 2476 154 -408 191 0 O HETATM 1852 O HOH A 505 -4.752 4.254 12.137 1.00 37.35 O ANISOU 1852 O HOH A 505 3525 5504 5160 -1208 814 2105 O HETATM 1853 O HOH A 506 -2.250 -6.914 12.516 1.00 43.43 O ANISOU 1853 O HOH A 506 4082 7242 5176 -3063 960 -1071 O HETATM 1854 O HOH A 507 5.073 0.674 -1.337 1.00 22.98 O ANISOU 1854 O HOH A 507 1815 2537 4379 37 542 -1537 O HETATM 1855 O HOH A 508 24.648 15.184 3.516 1.00 35.59 O ANISOU 1855 O HOH A 508 5833 3607 4080 -102 2492 1583 O HETATM 1856 O HOH A 509 17.639 20.210 3.360 1.00 42.42 O ANISOU 1856 O HOH A 509 4309 4770 7036 -285 317 -225 O HETATM 1857 O HOH A 510 29.423 -12.703 10.150 1.00 38.04 O ANISOU 1857 O HOH A 510 6378 4075 3999 1425 4 -365 O HETATM 1858 O HOH A 511 36.826 2.352 6.240 1.00 33.42 O ANISOU 1858 O HOH A 511 2320 4264 6113 -471 440 -1142 O HETATM 1859 O HOH A 512 8.026 -5.047 -17.339 1.00 24.86 O ANISOU 1859 O HOH A 512 4658 3978 806 -88 -370 -505 O HETATM 1860 O HOH A 513 10.525 -10.897 -6.727 1.00 76.75 O ANISOU 1860 O HOH A 513 21637 4529 2995 7894 2767 -929 O HETATM 1861 O HOH A 514 13.686 -14.806 -5.981 1.00 32.45 O ANISOU 1861 O HOH A 514 3463 5681 3184 -168 -395 -524 O HETATM 1862 O HOH A 515 26.694 7.673 16.881 1.00 26.79 O ANISOU 1862 O HOH A 515 4942 4106 1131 -1198 -917 -189 O HETATM 1863 O HOH A 516 22.714 16.526 1.622 1.00 29.04 O ANISOU 1863 O HOH A 516 4075 4239 2720 -156 625 546 O HETATM 1864 O HOH A 517 29.675 3.107 -10.919 1.00 19.30 O ANISOU 1864 O HOH A 517 2743 3735 856 -34 42 142 O HETATM 1865 O HOH A 518 -8.296 -3.256 3.222 1.00 30.93 O ANISOU 1865 O HOH A 518 4065 3975 3710 -731 753 708 O HETATM 1866 O HOH A 519 4.243 -8.190 13.420 1.00 28.58 O ANISOU 1866 O HOH A 519 4235 3861 2762 -865 1760 -879 O HETATM 1867 O HOH A 520 -8.121 3.388 2.517 1.00 32.51 O ANISOU 1867 O HOH A 520 3135 3592 5623 -101 79 -193 O HETATM 1868 O HOH A 521 34.031 -4.722 11.569 1.00 26.99 O ANISOU 1868 O HOH A 521 2204 4440 3609 386 -603 1269 O HETATM 1869 O HOH A 522 28.768 -3.138 15.680 1.00 19.56 O ANISOU 1869 O HOH A 522 2663 3744 1022 -232 -447 566 O HETATM 1870 O HOH A 523 6.027 -18.423 3.163 1.00 22.26 O ANISOU 1870 O HOH A 523 3618 2520 2320 -75 -685 280 O HETATM 1871 O HOH A 524 12.361 16.244 5.468 1.00 27.40 O ANISOU 1871 O HOH A 524 3120 4838 2451 361 664 239 O HETATM 1872 O HOH A 525 4.521 -4.301 20.083 1.00 23.15 O ANISOU 1872 O HOH A 525 3598 3702 1494 -173 1641 75 O HETATM 1873 O HOH A 526 3.797 -12.840 -9.415 1.00 30.63 O ANISOU 1873 O HOH A 526 4275 5972 1390 2658 -677 -1266 O HETATM 1874 O HOH A 527 13.503 10.704 13.939 1.00 14.69 O ANISOU 1874 O HOH A 527 2346 2531 703 -569 408 -688 O HETATM 1875 O HOH A 528 17.137 -4.911 14.311 1.00 12.87 O ANISOU 1875 O HOH A 528 2294 2136 457 -358 158 -323 O HETATM 1876 O HOH A 529 2.757 12.476 -3.662 1.00 75.77 O ANISOU 1876 O HOH A 529 9565 5631 13591 -391 -70 -1871 O HETATM 1877 O HOH A 530 19.436 -14.220 -12.959 1.00 48.44 O ANISOU 1877 O HOH A 530 6742 8421 3238 2295 -1166 -1625 O HETATM 1878 O HOH A 531 19.525 8.870 -17.139 1.00 41.40 O ANISOU 1878 O HOH A 531 7330 4557 3842 1543 670 1240 O HETATM 1879 O HOH A 532 10.912 13.539 -5.062 1.00 34.67 O ANISOU 1879 O HOH A 532 4076 4688 4408 -63 -51 207 O HETATM 1880 O HOH A 533 11.657 -9.713 15.915 1.00 27.26 O ANISOU 1880 O HOH A 533 3756 4267 2331 122 1122 197 O HETATM 1881 O HOH A 534 23.377 12.701 -4.785 1.00 41.37 O ANISOU 1881 O HOH A 534 8839 3246 3631 1078 -1494 -562 O HETATM 1882 O HOH A 535 -0.801 1.921 -2.561 1.00 33.14 O ANISOU 1882 O HOH A 535 4301 4926 3363 -1967 -1910 944 O HETATM 1883 O HOH A 536 16.575 -6.023 -15.304 1.00 20.02 O ANISOU 1883 O HOH A 536 2925 3480 1201 -34 344 25 O HETATM 1884 O HOH A 537 3.449 -10.040 11.390 1.00 34.78 O ANISOU 1884 O HOH A 537 5816 4619 2777 -1397 2234 -108 O HETATM 1885 O HOH A 538 27.135 -5.135 16.769 1.00 21.95 O ANISOU 1885 O HOH A 538 2749 4022 1568 18 -987 496 O HETATM 1886 O HOH A 539 -4.394 -13.218 -10.631 1.00 15.71 O ANISOU 1886 O HOH A 539 1737 2886 1344 -490 249 -628 O HETATM 1887 O HOH A 540 -4.903 7.326 13.646 1.00 34.06 O ANISOU 1887 O HOH A 540 4609 5206 3124 -490 1869 -257 O HETATM 1888 O HOH A 541 13.447 -0.512 -17.141 1.00 25.20 O ANISOU 1888 O HOH A 541 4382 4664 527 680 -638 -307 O HETATM 1889 O HOH A 542 21.483 2.998 -15.394 1.00 22.84 O ANISOU 1889 O HOH A 542 3853 3850 973 616 562 4 O HETATM 1890 O HOH A 543 5.513 -12.051 -7.184 1.00 28.48 O ANISOU 1890 O HOH A 543 3481 5330 2009 -157 -452 1124 O HETATM 1891 O HOH A 544 21.921 -9.188 17.766 1.00 36.31 O ANISOU 1891 O HOH A 544 3403 3499 6892 -176 1273 -51 O HETATM 1892 O HOH A 545 9.899 -18.332 -4.449 1.00 29.98 O ANISOU 1892 O HOH A 545 3404 4377 3609 1084 -847 -348 O HETATM 1893 O HOH A 546 24.690 -10.842 -1.065 1.00 18.90 O ANISOU 1893 O HOH A 546 2381 3851 949 1131 571 82 O HETATM 1894 O HOH A 547 23.845 5.129 21.551 1.00 34.33 O ANISOU 1894 O HOH A 547 3753 4428 4861 -1046 389 1961 O HETATM 1895 O HOH A 548 -9.655 -8.006 -5.641 1.00 28.80 O ANISOU 1895 O HOH A 548 4006 4080 2854 -601 281 -48 O HETATM 1896 O HOH A 549 1.276 11.466 4.376 1.00 20.57 O ANISOU 1896 O HOH A 549 2761 2981 2073 966 -460 -626 O HETATM 1897 O HOH A 550 10.097 -3.121 24.514 1.00 14.22 O ANISOU 1897 O HOH A 550 1955 2884 563 -135 163 273 O HETATM 1898 O HOH A 551 0.776 -8.762 -14.710 1.00 19.09 O ANISOU 1898 O HOH A 551 2766 3046 1442 -307 -247 -160 O HETATM 1899 O HOH A 552 25.387 2.498 25.098 1.00 35.42 O ANISOU 1899 O HOH A 552 4825 5968 2665 814 -1619 -1008 O HETATM 1900 O HOH A 553 22.268 -9.349 8.482 1.00 30.42 O ANISOU 1900 O HOH A 553 3672 4878 3006 -655 196 1259 O HETATM 1901 O HOH A 554 12.570 -5.084 -17.636 1.00 38.06 O ANISOU 1901 O HOH A 554 3848 8588 2024 -905 586 -1233 O HETATM 1902 O HOH A 555 18.200 -11.985 17.657 1.00 49.93 O ANISOU 1902 O HOH A 555 7040 6723 5205 2121 -373 2089 O HETATM 1903 O HOH A 556 -1.568 9.441 17.013 1.00 25.94 O ANISOU 1903 O HOH A 556 3905 4150 1798 303 540 15 O HETATM 1904 O HOH A 557 4.874 11.431 16.361 1.00 34.90 O ANISOU 1904 O HOH A 557 3513 4151 5595 647 1455 -692 O HETATM 1905 O HOH A 558 12.891 -13.613 5.848 1.00 32.18 O ANISOU 1905 O HOH A 558 4723 3084 4419 -551 -1175 1246 O HETATM 1906 O HOH A 559 15.053 8.970 -16.672 1.00 37.27 O ANISOU 1906 O HOH A 559 5074 7167 1917 2329 -343 -218 O HETATM 1907 O HOH A 560 -0.191 6.863 4.118 1.00 19.50 O ANISOU 1907 O HOH A 560 2628 2829 1949 301 113 49 O HETATM 1908 O HOH A 561 29.427 13.776 -2.432 1.00 36.14 O ANISOU 1908 O HOH A 561 4167 7784 1777 -1297 605 -36 O HETATM 1909 O HOH A 562 16.598 10.106 24.807 1.00 61.01 O ANISOU 1909 O HOH A 562 11382 10476 1323 -5325 3570 -2397 O HETATM 1910 O HOH A 563 18.271 10.964 18.702 1.00 28.57 O ANISOU 1910 O HOH A 563 5048 3737 2067 -1374 407 -411 O HETATM 1911 O HOH A 564 10.511 13.164 5.743 1.00 22.61 O ANISOU 1911 O HOH A 564 2651 3362 2577 480 295 -291 O HETATM 1912 O HOH A 565 4.321 13.206 1.801 1.00 34.42 O ANISOU 1912 O HOH A 565 4020 5074 3981 1423 -2465 -803 O HETATM 1913 O HOH A 566 4.173 -11.084 -14.820 1.00 31.72 O ANISOU 1913 O HOH A 566 4686 3764 3602 126 1265 1125 O HETATM 1914 O HOH A 567 -4.223 -11.608 -2.624 1.00 57.32 O ANISOU 1914 O HOH A 567 5348 7836 8592 -339 3608 -156 O HETATM 1915 O HOH A 568 21.426 7.896 21.274 1.00 38.00 O ANISOU 1915 O HOH A 568 8442 3900 2093 53 -1169 233 O HETATM 1916 O HOH A 569 31.088 -5.269 -10.111 1.00 36.20 O ANISOU 1916 O HOH A 569 3279 6360 4114 -59 649 398 O HETATM 1917 O HOH A 570 -2.765 1.189 11.976 1.00 41.51 O ANISOU 1917 O HOH A 570 7570 4135 4067 931 1957 1404 O HETATM 1918 O HOH A 571 30.280 -4.080 -11.726 1.00 27.56 O ANISOU 1918 O HOH A 571 2548 5561 2360 89 424 -121 O HETATM 1919 O HOH A 572 31.760 -1.398 -12.938 1.00 68.01 O ANISOU 1919 O HOH A 572 6639 10711 8489 -3336 2276 -2675 O HETATM 1920 O HOH A 573 15.380 10.666 17.858 1.00 32.37 O ANISOU 1920 O HOH A 573 5767 5065 1467 1553 -541 -1216 O HETATM 1921 O HOH A 574 9.131 17.262 2.926 1.00 31.39 O ANISOU 1921 O HOH A 574 3977 3815 4134 181 -1383 587 O HETATM 1922 O HOH A 575 27.332 -6.845 -13.243 1.00 25.62 O ANISOU 1922 O HOH A 575 4502 3120 2113 982 -125 167 O HETATM 1923 O HOH A 576 -9.083 -0.746 4.100 1.00 50.42 O ANISOU 1923 O HOH A 576 6347 6871 5936 701 1207 -654 O HETATM 1924 O HOH A 577 30.482 -3.943 17.289 1.00 80.71 O ANISOU 1924 O HOH A 577 9155 15844 5666 -3140 -1880 1721 O HETATM 1925 O HOH A 578 19.166 10.983 -10.112 1.00 40.36 O ANISOU 1925 O HOH A 578 4681 6634 4019 -898 -1521 2850 O HETATM 1926 O HOH A 579 10.824 -0.653 -15.834 1.00 28.91 O ANISOU 1926 O HOH A 579 2622 5837 2525 -339 -694 1022 O HETATM 1927 O HOH A 580 34.585 1.696 -10.617 1.00 39.94 O ANISOU 1927 O HOH A 580 4571 7758 2844 -1981 328 -1292 O HETATM 1928 O HOH A 581 0.096 -7.220 17.413 1.00 84.36 O ANISOU 1928 O HOH A 581 11298 15719 5035 -1773 1372 1156 O HETATM 1929 O HOH A 582 28.998 -1.873 -15.050 1.00 23.78 O ANISOU 1929 O HOH A 582 5216 3150 670 490 -182 -311 O HETATM 1930 O HOH A 583 23.807 7.110 17.721 1.00 29.91 O ANISOU 1930 O HOH A 583 4687 4923 1753 -1340 -398 451 O HETATM 1931 O HOH A 584 -4.473 -5.917 11.529 1.00 53.74 O ANISOU 1931 O HOH A 584 6184 10000 4233 38 1048 1224 O HETATM 1932 O HOH A 585 8.236 14.697 6.166 1.00 22.86 O ANISOU 1932 O HOH A 585 2683 3020 2981 727 366 257 O HETATM 1933 O HOH A 586 -0.267 11.682 16.035 1.00 36.80 O ANISOU 1933 O HOH A 586 4625 6909 2446 -747 -259 862 O HETATM 1934 O HOH A 587 14.817 -0.443 23.702 1.00 29.31 O ANISOU 1934 O HOH A 587 5049 4962 1124 -1316 755 -295 O HETATM 1935 O HOH A 588 17.072 7.426 27.539 1.00 22.48 O ANISOU 1935 O HOH A 588 2597 3852 2092 -539 434 -851 O HETATM 1936 O HOH A 589 7.010 11.690 17.685 1.00 38.57 O ANISOU 1936 O HOH A 589 4837 6323 3494 1014 4 -1451 O HETATM 1937 O HOH A 590 10.483 -2.997 -17.086 1.00 36.27 O ANISOU 1937 O HOH A 590 5969 5593 2218 274 -1648 -180 O HETATM 1938 O HOH A 591 11.915 14.398 3.627 1.00 24.64 O ANISOU 1938 O HOH A 591 2671 3642 3047 -83 472 326 O HETATM 1939 O HOH A 592 11.886 -16.199 -1.327 1.00 29.98 O ANISOU 1939 O HOH A 592 4031 3881 3478 833 -633 -898 O HETATM 1940 O HOH A 593 21.795 10.934 -10.861 1.00 32.86 O ANISOU 1940 O HOH A 593 5672 4067 2746 -74 -313 300 O HETATM 1941 O HOH A 594 32.203 -11.908 7.385 1.00 35.90 O ANISOU 1941 O HOH A 594 5480 4161 3996 424 165 753 O HETATM 1942 O HOH A 595 -4.691 -8.891 -1.363 1.00 23.94 O ANISOU 1942 O HOH A 595 2815 3146 3134 -97 -206 77 O HETATM 1943 O HOH A 596 -1.349 3.800 -4.305 1.00 40.52 O ANISOU 1943 O HOH A 596 5769 4014 5612 54 -3340 319 O HETATM 1944 O HOH A 597 37.062 7.734 2.180 1.00 32.15 O ANISOU 1944 O HOH A 597 3339 3881 4993 -101 547 -26 O HETATM 1945 O HOH A 598 -1.640 -8.443 -15.979 1.00 35.79 O ANISOU 1945 O HOH A 598 4382 7420 1796 298 -528 84 O HETATM 1946 O HOH A 599 9.332 1.055 -17.372 1.00 45.07 O ANISOU 1946 O HOH A 599 7615 6961 2548 591 325 1971 O HETATM 1947 O HOH A 600 36.419 -2.270 9.388 1.00 40.12 O ANISOU 1947 O HOH A 600 5563 4851 4829 -449 -1604 805 O HETATM 1948 O HOH A 601 -6.179 -10.554 -4.266 1.00 27.82 O ANISOU 1948 O HOH A 601 5237 3111 2220 -812 1880 -443 O HETATM 1949 O HOH A 602 30.110 0.970 17.083 1.00 32.54 O ANISOU 1949 O HOH A 602 3885 5797 2681 -597 -828 -983 O HETATM 1950 O HOH A 603 27.485 -5.430 19.386 1.00 35.06 O ANISOU 1950 O HOH A 603 7755 4268 1297 -87 -655 640 O HETATM 1951 O HOH A 604 10.504 10.063 16.654 1.00 33.56 O ANISOU 1951 O HOH A 604 4623 6344 1781 -1498 447 -1325 O HETATM 1952 O HOH A 605 18.019 5.070 28.546 1.00 24.10 O ANISOU 1952 O HOH A 605 3354 4253 1549 -863 -11 380 O HETATM 1953 O HOH A 606 12.680 13.214 14.580 1.00 29.28 O ANISOU 1953 O HOH A 606 4375 3421 3327 -233 1787 -933 O HETATM 1954 O HOH A 607 11.003 9.526 13.765 1.00 17.04 O ANISOU 1954 O HOH A 607 1889 2903 1680 -365 703 -827 O HETATM 1955 O HOH A 608 30.655 -14.036 8.338 1.00 31.46 O ANISOU 1955 O HOH A 608 5379 4144 2429 1618 1231 372 O HETATM 1956 O HOH A 609 2.147 12.269 16.778 1.00 35.06 O ANISOU 1956 O HOH A 609 5339 4921 3058 -524 -55 -1075 O HETATM 1957 O HOH A 610 22.025 8.950 16.968 1.00 21.56 O ANISOU 1957 O HOH A 610 3262 3753 1176 -447 127 61 O HETATM 1958 O HOH A 611 1.024 8.867 5.411 1.00 19.53 O ANISOU 1958 O HOH A 611 2654 3284 1482 160 -55 -136 O HETATM 1959 O HOH A 612 25.439 -7.731 -15.252 1.00 23.76 O ANISOU 1959 O HOH A 612 4545 3606 874 168 196 670 O HETATM 1960 O HOH A 613 29.620 -6.246 -2.293 1.00 38.46 O ANISOU 1960 O HOH A 613 5638 3799 5174 1743 3106 460 O HETATM 1961 O HOH A 614 12.662 15.464 8.127 1.00 29.72 O ANISOU 1961 O HOH A 614 4083 3524 3685 316 270 850 O HETATM 1962 O HOH A 615 7.508 14.419 8.817 1.00 26.23 O ANISOU 1962 O HOH A 615 3705 3183 3077 482 -893 -77 O CONECT 192 306 CONECT 306 192 CONECT 925 1413 CONECT 1160 1280 CONECT 1280 1160 CONECT 1350 1510 CONECT 1413 925 CONECT 1510 1350 CONECT 1709 1710 1711 1712 CONECT 1710 1709 CONECT 1711 1709 CONECT 1712 1709 CONECT 1713 1714 1715 1716 CONECT 1714 1713 CONECT 1715 1713 CONECT 1716 1713 CONECT 1717 1719 1720 1730 CONECT 1718 1724 1727 1735 CONECT 1719 1717 1720 1728 CONECT 1720 1717 1719 CONECT 1721 1725 1726 CONECT 1722 1723 1728 1739 CONECT 1723 1722 1729 CONECT 1724 1718 1725 1729 CONECT 1725 1721 1724 CONECT 1726 1721 1727 CONECT 1727 1718 1726 CONECT 1728 1719 1722 1734 CONECT 1729 1723 1724 1738 CONECT 1730 1717 1734 CONECT 1731 1736 CONECT 1732 1733 CONECT 1733 1732 1734 1740 CONECT 1734 1728 1730 1733 CONECT 1735 1718 1736 1738 CONECT 1736 1731 1735 1737 CONECT 1737 1736 CONECT 1738 1729 1735 CONECT 1739 1722 CONECT 1740 1733 1741 CONECT 1741 1740 1742 1747 CONECT 1742 1741 1743 CONECT 1743 1742 1744 CONECT 1744 1743 1745 CONECT 1745 1744 1746 1747 CONECT 1746 1745 CONECT 1747 1741 1745 END