USER MOD reduce.3.24.130724 H: found=0, std=0, add=3995, rem=0, adj=118 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER ISOMERASE 18-MAY-07 2PZV TITLE CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE D40N FROM TITLE 2 PSEUDOMONAS PUTIDA (PKSI) WITH BOUND PHENOL COMPND MOL_ID: 1; COMPND 2 MOLECULE: STEROID DELTA-ISOMERASE; COMPND 3 CHAIN: A, B, C, D; COMPND 4 SYNONYM: DELTA(5)-3-KETOSTEROID ISOMERASE; COMPND 5 EC: 5.3.3.1; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; SOURCE 3 ORGANISM_TAXID: 303; SOURCE 4 GENE: KSI; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PKK KEYWDS TRANSITION STATE ANALOG BOUND, ISOMERASE EXPDTA X-RAY DIFFRACTION AUTHOR B.PYBUS,J.M.M.CAAVEIRO,G.A.PETSKO,D.RINGE REVDAT 2 24-FEB-09 2PZV 1 VERSN REVDAT 1 12-JUN-07 2PZV 0 SPRSDE 12-JUN-07 2PZV 2B32 JRNL AUTH D.A.KRAUT,P.A.SIGALA,B.PYBUS,C.W.LIU,D.RINGE, JRNL AUTH 2 G.A.PETSKO,D.HERSCHLAG JRNL TITL TESTING ELECTROSTATIC COMPLEMENTARITY IN ENZYME JRNL TITL 2 CATALYSIS: HYDROGEN BONDING IN THE KETOSTEROID JRNL TITL 3 ISOMERASE OXYANION HOLE JRNL REF PLOS BIOL. V. 4 501 2006 JRNL REFN ISSN 1544-9173 JRNL PMID 16602823 JRNL DOI 10.1371/JOURNAL.PBIO.0040099 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.25 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2.0019 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) : 1.25 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 22.54 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 86.0 REMARK 3 NUMBER OF REFLECTIONS : 110554 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) : 0.188 REMARK 3 R VALUE (WORKING SET) : 0.183 REMARK 3 FREE R VALUE : 0.227 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 REMARK 3 FREE R VALUE TEST SET COUNT : 11094 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) : 1.25 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.28 REMARK 3 REFLECTION IN BIN (WORKING SET) : 5696 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 66.63 REMARK 3 BIN R VALUE (WORKING SET) : 0.3180 REMARK 3 BIN FREE R VALUE SET COUNT : 634 REMARK 3 BIN FREE R VALUE : 0.3480 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 4016 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 28 REMARK 3 SOLVENT ATOMS : 322 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 26.57 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.45000 REMARK 3 B22 (A**2) : -0.19000 REMARK 3 B33 (A**2) : -0.28000 REMARK 3 B12 (A**2) : -0.03000 REMARK 3 B13 (A**2) : 0.11000 REMARK 3 B23 (A**2) : 0.09000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.067 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.065 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.044 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.344 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.962 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.947 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 4158 ; 0.021 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 5675 ; 2.024 ; 1.944 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 541 ; 6.157 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 205 ;38.164 ;24.049 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 682 ;15.453 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 33 ;21.672 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 612 ; 0.139 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 3273 ; 0.012 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 2071 ; 0.228 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 2928 ; 0.320 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 334 ; 0.190 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 78 ; 0.272 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 32 ; 0.179 ; 0.200 REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 2636 ; 2.859 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 4162 ; 3.948 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1736 ; 4.901 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 1494 ; 6.712 ; 4.500 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): 4372 ; 3.210 ; 3.000 REMARK 3 SPHERICITY; FREE ATOMS (A**2): 322 ;12.446 ; 3.000 REMARK 3 SPHERICITY; BONDED ATOMS (A**2): 4044 ; 8.542 ; 3.000 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 : BABINET MODEL WITH MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.40 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE REMARK 3 RIDING POSITIONS REMARK 4 REMARK 4 2PZV COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-MAY-07. REMARK 100 THE RCSB ID CODE IS RCSB042972. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 18-NOV-04 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 14-BM-C REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 111105 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.250 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 93.0 REMARK 200 DATA REDUNDANCY : 2.200 REMARK 200 R MERGE (I) : 0.03700 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.25 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.29 REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : 1.80 REMARK 200 R MERGE FOR SHELL (I) : 0.41500 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 40.16 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.06 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 1.4 M AMMONIUM SULPHATE, 7% (V/V) REMARK 280 2-PROPANOL, 40 MM POTASIUM PHOSPHATE, VAPOR DIFFUSION, HANGING REMARK 280 DROP, TEMPERATURE 295K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,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 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 2720 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 11990 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -1.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 2690 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 12000 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -1.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A 1 REMARK 465 GLY A 62 REMARK 465 GLY A 63 REMARK 465 GLY A 64 REMARK 465 ARG A 128 REMARK 465 GLU A 129 REMARK 465 PRO A 130 REMARK 465 GLN A 131 REMARK 465 MET B 1 REMARK 465 GLY B 62 REMARK 465 GLY B 63 REMARK 465 GLY B 64 REMARK 465 ARG B 128 REMARK 465 GLU B 129 REMARK 465 PRO B 130 REMARK 465 GLN B 131 REMARK 465 MET C 1 REMARK 465 GLY C 62 REMARK 465 GLY C 63 REMARK 465 GLY C 64 REMARK 465 ARG C 128 REMARK 465 GLU C 129 REMARK 465 PRO C 130 REMARK 465 GLN C 131 REMARK 465 MET D 1 REMARK 465 GLY D 62 REMARK 465 GLY D 63 REMARK 465 GLY D 64 REMARK 465 ARG D 128 REMARK 465 GLU D 129 REMARK 465 PRO D 130 REMARK 465 GLN D 131 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 O ASP A 21 O HOH A 480 2.11 REMARK 500 O ASP C 21 O HOH C 448 2.15 REMARK 500 OE2 GLU B 109 O HOH B 471 2.19 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 75 NE - CZ - NH2 ANGL. DEV. = -3.1 DEGREES REMARK 500 ASP A 108 CB - CG - OD1 ANGL. DEV. = 5.8 DEGREES REMARK 500 ARG C 75 NE - CZ - NH2 ANGL. DEV. = -4.1 DEGREES 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 IPH A 401 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IPH B 402 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IPH C 403 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IPH D 404 DBREF 2PZV A 1 131 UNP P07445 SDIS_PSEPU 1 131 DBREF 2PZV B 1 131 UNP P07445 SDIS_PSEPU 1 131 DBREF 2PZV C 1 131 UNP P07445 SDIS_PSEPU 1 131 DBREF 2PZV D 1 131 UNP P07445 SDIS_PSEPU 1 131 SEQADV 2PZV ASN A 40 UNP P07445 ASP 40 ENGINEERED SEQADV 2PZV ASN B 40 UNP P07445 ASP 40 ENGINEERED SEQADV 2PZV ASN C 40 UNP P07445 ASP 40 ENGINEERED SEQADV 2PZV ASN D 40 UNP P07445 ASP 40 ENGINEERED SEQRES 1 A 131 MET ASN LEU PRO THR ALA GLN GLU VAL GLN GLY LEU MET SEQRES 2 A 131 ALA ARG TYR ILE GLU LEU VAL ASP VAL GLY ASP ILE GLU SEQRES 3 A 131 ALA ILE VAL GLN MET TYR ALA ASP ASP ALA THR VAL GLU SEQRES 4 A 131 ASN PRO PHE GLY GLN PRO PRO ILE HIS GLY ARG GLU GLN SEQRES 5 A 131 ILE ALA ALA PHE TYR ARG GLN GLY LEU GLY GLY GLY LYS SEQRES 6 A 131 VAL ARG ALA CYS LEU THR GLY PRO VAL ARG ALA SER HIS SEQRES 7 A 131 ASN GLY CYS GLY ALA MET PRO PHE ARG VAL GLU MET VAL SEQRES 8 A 131 TRP ASN GLY GLN PRO CYS ALA LEU ASP VAL ILE ASP VAL SEQRES 9 A 131 MET ARG PHE ASP GLU HIS GLY ARG ILE GLN THR MET GLN SEQRES 10 A 131 ALA TYR TRP SER GLU VAL ASN LEU SER VAL ARG GLU PRO SEQRES 11 A 131 GLN SEQRES 1 B 131 MET ASN LEU PRO THR ALA GLN GLU VAL GLN GLY LEU MET SEQRES 2 B 131 ALA ARG TYR ILE GLU LEU VAL ASP VAL GLY ASP ILE GLU SEQRES 3 B 131 ALA ILE VAL GLN MET TYR ALA ASP ASP ALA THR VAL GLU SEQRES 4 B 131 ASN PRO PHE GLY GLN PRO PRO ILE HIS GLY ARG GLU GLN SEQRES 5 B 131 ILE ALA ALA PHE TYR ARG GLN GLY LEU GLY GLY GLY LYS SEQRES 6 B 131 VAL ARG ALA CYS LEU THR GLY PRO VAL ARG ALA SER HIS SEQRES 7 B 131 ASN GLY CYS GLY ALA MET PRO PHE ARG VAL GLU MET VAL SEQRES 8 B 131 TRP ASN GLY GLN PRO CYS ALA LEU ASP VAL ILE ASP VAL SEQRES 9 B 131 MET ARG PHE ASP GLU HIS GLY ARG ILE GLN THR MET GLN SEQRES 10 B 131 ALA TYR TRP SER GLU VAL ASN LEU SER VAL ARG GLU PRO SEQRES 11 B 131 GLN SEQRES 1 C 131 MET ASN LEU PRO THR ALA GLN GLU VAL GLN GLY LEU MET SEQRES 2 C 131 ALA ARG TYR ILE GLU LEU VAL ASP VAL GLY ASP ILE GLU SEQRES 3 C 131 ALA ILE VAL GLN MET TYR ALA ASP ASP ALA THR VAL GLU SEQRES 4 C 131 ASN PRO PHE GLY GLN PRO PRO ILE HIS GLY ARG GLU GLN SEQRES 5 C 131 ILE ALA ALA PHE TYR ARG GLN GLY LEU GLY GLY GLY LYS SEQRES 6 C 131 VAL ARG ALA CYS LEU THR GLY PRO VAL ARG ALA SER HIS SEQRES 7 C 131 ASN GLY CYS GLY ALA MET PRO PHE ARG VAL GLU MET VAL SEQRES 8 C 131 TRP ASN GLY GLN PRO CYS ALA LEU ASP VAL ILE ASP VAL SEQRES 9 C 131 MET ARG PHE ASP GLU HIS GLY ARG ILE GLN THR MET GLN SEQRES 10 C 131 ALA TYR TRP SER GLU VAL ASN LEU SER VAL ARG GLU PRO SEQRES 11 C 131 GLN SEQRES 1 D 131 MET ASN LEU PRO THR ALA GLN GLU VAL GLN GLY LEU MET SEQRES 2 D 131 ALA ARG TYR ILE GLU LEU VAL ASP VAL GLY ASP ILE GLU SEQRES 3 D 131 ALA ILE VAL GLN MET TYR ALA ASP ASP ALA THR VAL GLU SEQRES 4 D 131 ASN PRO PHE GLY GLN PRO PRO ILE HIS GLY ARG GLU GLN SEQRES 5 D 131 ILE ALA ALA PHE TYR ARG GLN GLY LEU GLY GLY GLY LYS SEQRES 6 D 131 VAL ARG ALA CYS LEU THR GLY PRO VAL ARG ALA SER HIS SEQRES 7 D 131 ASN GLY CYS GLY ALA MET PRO PHE ARG VAL GLU MET VAL SEQRES 8 D 131 TRP ASN GLY GLN PRO CYS ALA LEU ASP VAL ILE ASP VAL SEQRES 9 D 131 MET ARG PHE ASP GLU HIS GLY ARG ILE GLN THR MET GLN SEQRES 10 D 131 ALA TYR TRP SER GLU VAL ASN LEU SER VAL ARG GLU PRO SEQRES 11 D 131 GLN HET IPH A 401 7 HET IPH B 402 7 HET IPH C 403 7 HET IPH D 404 7 HETNAM IPH PHENOL FORMUL 5 IPH 4(C6 H6 O) FORMUL 9 HOH *317(H2 O) HELIX 1 1 THR A 5 GLY A 23 1 19 HELIX 2 2 ASP A 24 MET A 31 1 8 HELIX 3 3 GLY A 49 LEU A 61 1 13 HELIX 4 4 SER A 121 VAL A 123 5 3 HELIX 5 5 THR B 5 GLY B 23 1 19 HELIX 6 6 ASP B 24 MET B 31 1 8 HELIX 7 7 GLY B 49 LEU B 61 1 13 HELIX 8 8 SER B 121 VAL B 123 5 3 HELIX 9 9 THR C 5 GLY C 23 1 19 HELIX 10 10 ASP C 24 MET C 31 1 8 HELIX 11 11 GLY C 49 LEU C 61 1 13 HELIX 12 12 SER C 121 VAL C 123 5 3 HELIX 13 13 THR D 5 GLY D 23 1 19 HELIX 14 14 ASP D 24 MET D 31 1 8 HELIX 15 15 GLY D 49 LEU D 61 1 13 HELIX 16 16 SER D 121 VAL D 123 5 3 SHEET 1 A 6 ILE A 47 HIS A 48 0 SHEET 2 A 6 TYR A 32 GLU A 39 -1 N VAL A 38 O ILE A 47 SHEET 3 A 6 ILE A 113 TYR A 119 1 O ILE A 113 N ALA A 33 SHEET 4 A 6 GLN A 95 PHE A 107 -1 N ILE A 102 O TYR A 119 SHEET 5 A 6 CYS A 81 TRP A 92 -1 N MET A 90 O CYS A 97 SHEET 6 A 6 ARG A 75 ALA A 76 -1 N ARG A 75 O ALA A 83 SHEET 1 B 4 ARG A 67 LEU A 70 0 SHEET 2 B 4 CYS A 81 TRP A 92 -1 O GLU A 89 N ARG A 67 SHEET 3 B 4 GLN A 95 PHE A 107 -1 O CYS A 97 N MET A 90 SHEET 4 B 4 LEU A 125 SER A 126 -1 O SER A 126 N ALA A 98 SHEET 1 C 6 ILE B 47 HIS B 48 0 SHEET 2 C 6 TYR B 32 GLU B 39 -1 N VAL B 38 O ILE B 47 SHEET 3 C 6 ILE B 113 TYR B 119 1 O MET B 116 N GLU B 39 SHEET 4 C 6 GLN B 95 PHE B 107 -1 N ILE B 102 O TYR B 119 SHEET 5 C 6 CYS B 81 TRP B 92 -1 N MET B 90 O CYS B 97 SHEET 6 C 6 ARG B 75 ALA B 76 -1 N ARG B 75 O ALA B 83 SHEET 1 D 4 ARG B 67 LEU B 70 0 SHEET 2 D 4 CYS B 81 TRP B 92 -1 O GLU B 89 N ARG B 67 SHEET 3 D 4 GLN B 95 PHE B 107 -1 O CYS B 97 N MET B 90 SHEET 4 D 4 LEU B 125 SER B 126 -1 O SER B 126 N ALA B 98 SHEET 1 E 6 ILE C 47 HIS C 48 0 SHEET 2 E 6 TYR C 32 GLU C 39 -1 N VAL C 38 O ILE C 47 SHEET 3 E 6 ILE C 113 TYR C 119 1 O ILE C 113 N ALA C 33 SHEET 4 E 6 GLN C 95 PHE C 107 -1 N ILE C 102 O TYR C 119 SHEET 5 E 6 CYS C 81 TRP C 92 -1 N MET C 90 O CYS C 97 SHEET 6 E 6 ARG C 75 ALA C 76 -1 N ARG C 75 O ALA C 83 SHEET 1 F 4 ARG C 67 LEU C 70 0 SHEET 2 F 4 CYS C 81 TRP C 92 -1 O GLU C 89 N ARG C 67 SHEET 3 F 4 GLN C 95 PHE C 107 -1 O CYS C 97 N MET C 90 SHEET 4 F 4 LEU C 125 SER C 126 -1 O SER C 126 N ALA C 98 SHEET 1 G 6 ILE D 47 HIS D 48 0 SHEET 2 G 6 TYR D 32 GLU D 39 -1 N VAL D 38 O ILE D 47 SHEET 3 G 6 ILE D 113 TYR D 119 1 O ILE D 113 N ALA D 33 SHEET 4 G 6 PRO D 96 PHE D 107 -1 N ILE D 102 O TYR D 119 SHEET 5 G 6 CYS D 81 VAL D 91 -1 N MET D 90 O CYS D 97 SHEET 6 G 6 ARG D 75 ALA D 76 -1 N ARG D 75 O ALA D 83 SHEET 1 H 4 ARG D 67 LEU D 70 0 SHEET 2 H 4 CYS D 81 VAL D 91 -1 O GLU D 89 N ARG D 67 SHEET 3 H 4 PRO D 96 PHE D 107 -1 O CYS D 97 N MET D 90 SHEET 4 H 4 LEU D 125 SER D 126 -1 O SER D 126 N ALA D 98 CISPEP 1 ASN A 40 PRO A 41 0 5.16 CISPEP 2 ASN B 40 PRO B 41 0 1.81 CISPEP 3 ASN C 40 PRO C 41 0 0.82 CISPEP 4 ASN D 40 PRO D 41 0 1.49 SITE *** AC1 5 TYR A 16 ASN A 40 PHE A 86 ASP A 103 SITE *** AC1 5 MET A 116 SITE *** AC2 5 TYR B 16 ASN B 40 PHE B 86 ASP B 103 SITE *** AC2 5 MET B 116 SITE *** AC3 5 TYR C 16 ASN C 40 PHE C 86 ASP C 103 SITE *** AC3 5 MET C 116 SITE *** AC4 5 TYR D 16 ASN D 40 PHE D 86 ASP D 103 SITE *** AC4 5 MET D 116 CRYST1 34.905 50.540 72.290 90.02 89.98 110.21 P 1 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.028649 0.010547 -0.000007 0.00000 SCALE2 0.000000 0.021084 0.000005 0.00000 SCALE3 0.000000 0.000000 0.013833 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 NoAdj-H: B 402 IPH HO1 : B 402 IPH O1 : B 402 IPH C1 :(short bond) USER MOD NoAdj-H: D 404 IPH HO1 : D 404 IPH O1 : D 404 IPH C1 :(short bond) USER MOD Set 1.1: D 117 GLN : amide:sc= 2.1! X(o=3.5!,f=3) USER MOD Set 1.2: D 119 TYR OH : rot 40:sc= 1.41 USER MOD Set 2.1: D 16 TYR OH : rot 179:sc= 2.3 USER MOD Set 2.2: D 32 TYR OH : rot -155:sc= 1.05 USER MOD Set 2.3: D 57 TYR OH : rot -44:sc= 2.34 USER MOD Set 2.4: D 116 MET CE A:methyl 179:sc= 0 (180deg=0) USER MOD Set 2.5: D 116 MET CE B:methyl 160:sc= -0.296 (180deg=-0.945) USER MOD Set 3.1: D 77 SER OG : rot 165:sc= 1.5 USER MOD Set 3.2: D 79 ASN :FLIP amide:sc= 0.949 F(o=-4.5!,f=2.4) USER MOD Set 4.1: D 13 MET CE A:methyl 156:sc= 0 (180deg=-0.173) USER MOD Set 4.2: D 13 MET CE B:methyl -108:sc= -0.0109 (180deg=-1.44) USER MOD Set 4.3: D 84 MET CE :methyl -127:sc= -0.0929 (180deg=-0.0134) USER MOD Set 4.4: D 105 MET CE B:methyl 157:sc= -0.444 (180deg=-1.52) USER MOD Set 5.1: C 117 GLN :FLIP amide:sc= -0.935! C(o=-2!,f=0.31!) USER MOD Set 5.2: C 119 TYR OH : rot 12:sc= 1.25 USER MOD Set 6.1: C 13 MET CE A:methyl 159:sc= -0.0177 (180deg=-0.00121) USER MOD Set 6.2: C 13 MET CE B:methyl -118:sc= -0.0973 (180deg=-0.455) USER MOD Set 6.3: C 84 MET CE :methyl -118:sc= -0.159 (180deg=-0.0303) USER MOD Set 6.4: C 105 MET CE B:methyl 154:sc= -5.53! (180deg=-7.84!) USER MOD Set 7.1: C 77 SER OG : rot 145:sc= 0.824 USER MOD Set 7.2: C 79 ASN :FLIP amide:sc= -0.0471 F(o=-9.1!,f=0.78) USER MOD Set 8.1: C 16 TYR OH : rot 146:sc= 2.38 USER MOD Set 8.2: C 32 TYR OH : rot -156:sc= 1.04 USER MOD Set 8.3: C 57 TYR OH : rot -45:sc= 2.35 USER MOD Set 8.4: C 116 MET CE A:methyl 179:sc= 0 (180deg=0) USER MOD Set 8.5: C 116 MET CE B:methyl 166:sc= -0.545 (180deg=-1.03) USER MOD Set 8.6: C 403 IPH O1 : rot 134:sc= 1.96 USER MOD Set 9.1: B 7 GLN :FLIP amide:sc= -0.212 F(o=-1.6,f=0.5) USER MOD Set 9.2: B 10 GLN : amide:sc= 0.354 K(o=0.5,f=-0.96) USER MOD Set 9.3: C 7 GLN :FLIP amide:sc= 0.0309 F(o=-1.8,f=0.5) USER MOD Set 9.4: C 10 GLN : amide:sc= 0.331 K(o=0.5,f=-0.9) USER MOD Set10.1: B 13 MET CE A:methyl -123:sc= 0 (180deg=-0.00819) USER MOD Set10.2: B 13 MET CE B:methyl 180:sc= -0.899 (180deg=-0.899) USER MOD Set10.3: B 84 MET CE :methyl -125:sc= -0.0206 (180deg=-0.00576) USER MOD Set10.4: B 105 MET CE B:methyl 161:sc= -0.153 (180deg=-0.792) USER MOD Set11.1: B 77 SER OG : rot 153:sc= 1.38 USER MOD Set11.2: B 79 ASN :FLIP amide:sc= 1.01 F(o=-3.9!,f=2.4) USER MOD Set12.1: B 37 THR OG1 : rot -64:sc= 0.725 USER MOD Set12.2: B 115 THR OG1A: rot 180:sc= 0 USER MOD Set13.1: B 16 TYR OH : rot 140:sc= 2.43 USER MOD Set13.2: B 32 TYR OH : rot -160:sc= 1.11 USER MOD Set13.3: B 57 TYR OH : rot -48:sc= 2.37 USER MOD Set13.4: B 116 MET CE A:methyl 177:sc= 0 (180deg=-0.0119) USER MOD Set14.1: A 16 TYR OH : rot 170:sc= 2.15 USER MOD Set14.2: A 32 TYR OH : rot -154:sc= 1.13 USER MOD Set14.3: A 40 ASN : amide:sc= -0.822 K(o=7,f=2!) USER MOD Set14.4: A 57 TYR OH : rot -47:sc= 2.43 USER MOD Set14.5: A 116 MET CE A:methyl -165:sc=-0.00148 (180deg=0) USER MOD Set14.6: A 116 MET CE B:methyl 167:sc= 0 (180deg=-0.0861) USER MOD Set14.7: A 401 IPH O1 : rot -51:sc= 2.14 USER MOD Set15.1: A 117 GLN : amide:sc= 2.14 K(o=3.5,f=2.4) USER MOD Set15.2: A 119 TYR OH : rot 44:sc= 1.4 USER MOD Set16.1: A 77 SER OG : rot 159:sc= 1.34 USER MOD Set16.2: A 79 ASN :FLIP amide:sc= 0.832 F(o=-5.9!,f=2.2) USER MOD Set17.1: A 37 THR OG1B: rot -70:sc= 0.165 USER MOD Set17.2: A 48 HIS A: no HD1:sc= -1.17 K(o=-1,f=-3!) USER MOD Set18.1: A 13 MET CE A:methyl -114:sc= -0.033 (180deg=-2.68!) USER MOD Set18.2: A 13 MET CE B:methyl 164:sc= -0.507 (180deg=-0.845) USER MOD Set18.3: A 84 MET CE :methyl -109:sc= -0.379 (180deg=-0.178) USER MOD Set18.4: A 105 MET CE A:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc=-0.00846 X(o=-0.0085,f=-0.046) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0557 USER MOD Single : A 7 GLN :FLIP amide:sc= -0.0555 F(o=-1.2!,f=-0.056) USER MOD Single : A 10 GLN : amide:sc= 0.327 X(o=0.33,f=-0.13) USER MOD Single : A 30 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.41) USER MOD Single : A 31 MET CE :methyl -102:sc= -0.0283 (180deg=-0.807) USER MOD Single : A 37 THR OG1A: rot 99:sc= 0.362 USER MOD Single : A 44 GLN : amide:sc= -1.57 X(o=-1.6,f=-1.3) USER MOD Single : A 48 HIS B: no HE2:sc= -0.107 K(o=-0.11,f=-0.99) USER MOD Single : A 52 GLN : amide:sc= 0.245 K(o=0.25,f=-1.6!) USER MOD Single : A 59 GLN : amide:sc= -0.463 X(o=-0.46,f=-0.88) USER MOD Single : A 65 LYS NZ :NH3+ -157:sc= -0.145 (180deg=-0.724) USER MOD Single : A 69 CYS SG : rot -11:sc= 1.34 USER MOD Single : A 71 THR OG1 : rot 64:sc= 1.05 USER MOD Single : A 78 HIS : no HD1:sc= 1.19 K(o=1.2,f=-4!) USER MOD Single : A 81 CYS SG : rot 98:sc= -0.1 USER MOD Single : A 90 MET CE :methyl -105:sc= -0.0387 (180deg=-0.972) USER MOD Single : A 93 ASN :FLIP amide:sc= -1.71! C(o=-2.9!,f=-1.7!) USER MOD Single : A 95 GLN : amide:sc= -0.0147 X(o=-0.015,f=0) USER MOD Single : A 97 CYS SG A: rot 64:sc= -0.189 USER MOD Single : A 97 CYS SG B: rot 48:sc=-0.00115 USER MOD Single : A 105 MET CE B:methyl 159:sc= -3.27 (180deg=-4.12!) USER MOD Single : A 110 HIS : no HD1:sc= 0.317 X(o=0.32,f=-0.024) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot -100:sc= -2.26! USER MOD Single : A 124 ASN : amide:sc= 0.734 K(o=0.73,f=-4.2!) USER MOD Single : A 126 SER OG : rot 56:sc= 1.34 USER MOD Single : B 2 ASN : amide:sc= -0.0197 X(o=-0.02,f=0) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0.0833 USER MOD Single : B 30 GLN : amide:sc= 0.126 X(o=0.13,f=0.27) USER MOD Single : B 31 MET CE :methyl -97:sc= -0.0369 (180deg=-0.803) USER MOD Single : B 40 ASN : amide:sc= -1.32 K(o=-1.3,f=-7!) USER MOD Single : B 44 GLN : amide:sc= -1.11 K(o=-1.1,f=-1.8!) USER MOD Single : B 48 HIS A: no HD1:sc= -0.49 K(o=-0.49,f=-2.3!) USER MOD Single : B 48 HIS B: no HE2:sc= -0.72 K(o=-0.72,f=-2.3) USER MOD Single : B 52 GLN : amide:sc= 0.256 K(o=0.26,f=-2.3!) USER MOD Single : B 59 GLN : amide:sc= -0.749 K(o=-0.75,f=-3.5!) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 CYS SG A: rot 33:sc= 2.23 USER MOD Single : B 69 CYS SG B: rot 96:sc= 1.45 USER MOD Single : B 71 THR OG1 : rot 112:sc= 1.01 USER MOD Single : B 78 HIS : no HD1:sc= 1.11 K(o=1.1,f=-5.5!) USER MOD Single : B 81 CYS SG : rot 92:sc= -0.0187 USER MOD Single : B 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 93 ASN :FLIP amide:sc= -0.0273 F(o=-1.6!,f=-0.027) USER MOD Single : B 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 97 CYS SG A: rot 180:sc= -1.28 USER MOD Single : B 97 CYS SG B: rot 52:sc= 0.0845 USER MOD Single : B 105 MET CE A:methyl 138:sc= -0.0463 (180deg=-0.436) USER MOD Single : B 110 HIS : no HD1:sc= -0.0128 X(o=-0.013,f=-0.003) USER MOD Single : B 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 115 THR OG1B: rot 87:sc= -0.218 USER MOD Single : B 116 MET CE B:methyl 144:sc= -1.52 (180deg=-4.88!) USER MOD Single : B 117 GLN : amide:sc= -2.01! C(o=-2!,f=-3.6!) USER MOD Single : B 119 TYR OH : rot 4:sc= 1.32 USER MOD Single : B 121 SER OG : rot -99:sc= -1.58! USER MOD Single : B 124 ASN : amide:sc= 0.813 K(o=0.81,f=-4.2!) USER MOD Single : B 126 SER OG : rot 90:sc= 1.19 USER MOD Single : C 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0.0929 USER MOD Single : C 30 GLN : amide:sc= -0.0567 X(o=-0.057,f=-0.34) USER MOD Single : C 31 MET CE :methyl -112:sc= -0.168 (180deg=-1.15) USER MOD Single : C 37 THR OG1 : rot 87:sc= 0.21 USER MOD Single : C 40 ASN : amide:sc= -0.45 K(o=-0.45,f=-6.6!) USER MOD Single : C 44 GLN : amide:sc= -1.19 K(o=-1.2,f=-1.9!) USER MOD Single : C 48 HIS A: no HD1:sc= -1.02 K(o=-1,f=-2.8!) USER MOD Single : C 48 HIS B: no HD1:sc= -0.945 K(o=-0.95,f=-2!) USER MOD Single : C 52 GLN : amide:sc= 0.369 K(o=0.37,f=-2.5!) USER MOD Single : C 59 GLN : amide:sc= -0.0243 K(o=-0.024,f=-1.7) USER MOD Single : C 65 LYS NZ :NH3+ -160:sc=-0.00185 (180deg=-0.407) USER MOD Single : C 69 CYS SG A: rot 29:sc= 2.13 USER MOD Single : C 69 CYS SG B: rot 107:sc= 1.67 USER MOD Single : C 71 THR OG1 : rot 109:sc= 1.02 USER MOD Single : C 78 HIS : no HD1:sc= 1.19 K(o=1.2,f=-4.3!) USER MOD Single : C 81 CYS SG : rot 180:sc=-0.00989 USER MOD Single : C 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 93 ASN :FLIP amide:sc= -0.0356 F(o=-1.5!,f=-0.036) USER MOD Single : C 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 97 CYS SG A: rot 65:sc= -0.962 USER MOD Single : C 97 CYS SG B: rot 60:sc= -0.569 USER MOD Single : C 105 MET CE A:methyl -119:sc= 0 (180deg=-0.564) USER MOD Single : C 110 HIS : no HD1:sc= 0.299 X(o=0.3,f=-0.042) USER MOD Single : C 114 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : C 115 THR OG1A: rot 49:sc= 0.733 USER MOD Single : C 115 THR OG1B: rot 119:sc= 0.638 USER MOD Single : C 121 SER OG : rot -94:sc= -4.09! USER MOD Single : C 124 ASN : amide:sc= 0.963 K(o=0.96,f=-3.9!) USER MOD Single : C 126 SER OG : rot 90:sc= 1.31 USER MOD Single : D 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 5 THR OG1 : rot 180:sc= 0.0496 USER MOD Single : D 7 GLN : amide:sc= -0.22 X(o=-0.22,f=-8.7e-05) USER MOD Single : D 10 GLN : amide:sc= 0.292 X(o=0.29,f=-0.11) USER MOD Single : D 30 GLN : amide:sc= -0.0462 X(o=-0.046,f=-0.29) USER MOD Single : D 31 MET CE :methyl 132:sc= -0.209 (180deg=-1.23) USER MOD Single : D 37 THR OG1 : rot 94:sc= 0.289 USER MOD Single : D 40 ASN : amide:sc= -0.917 K(o=-0.92,f=-6.4!) USER MOD Single : D 44 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.37) USER MOD Single : D 48 HIS A: no HD1:sc= -1.03 K(o=-1,f=-2.9!) USER MOD Single : D 48 HIS B: no HE2:sc= -0.582 K(o=-0.58,f=-1.7) USER MOD Single : D 52 GLN : amide:sc= 0.442 K(o=0.44,f=-2.6!) USER MOD Single : D 59 GLN : amide:sc= -0.179 K(o=-0.18,f=-0.71) USER MOD Single : D 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 69 CYS SG A: rot -44:sc= 1.99 USER MOD Single : D 69 CYS SG B: rot 97:sc= 1.24 USER MOD Single : D 71 THR OG1 : rot 116:sc= 0.974 USER MOD Single : D 78 HIS : no HD1:sc= 1.21 K(o=1.2,f=-4.8!) USER MOD Single : D 81 CYS SG : rot 96:sc=-0.00997 USER MOD Single : D 90 MET CE :methyl 150:sc=-0.00732 (180deg=-0.442) USER MOD Single : D 93 ASN :FLIP amide:sc= -0.707 F(o=-3.1!,f=-0.71) USER MOD Single : D 95 GLN : amide:sc= -0.0382 X(o=-0.038,f=-0.17) USER MOD Single : D 97 CYS SG A: rot 180:sc= -1.53 USER MOD Single : D 97 CYS SG B: rot 62:sc= -2.38! USER MOD Single : D 105 MET CE A:methyl -127:sc= 0 (180deg=-0.944) USER MOD Single : D 110 HIS : no HD1:sc= 0.191 X(o=0.19,f=0) USER MOD Single : D 114 GLN : amide:sc= 0 X(o=0,f=0.023) USER MOD Single : D 115 THR OG1A: rot 22:sc= 0.225 USER MOD Single : D 115 THR OG1B: rot 109:sc= 0.622 USER MOD Single : D 121 SER OG : rot -99:sc= -2.72! USER MOD Single : D 124 ASN : amide:sc= 0.787 K(o=0.79,f=-3.7!) USER MOD Single : D 126 SER OG : rot 89:sc= 1.38 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 2 7.188 3.185 18.355 1.00 46.19 N ANISOU 1 N ASN A 2 5807 5874 5867 -45 -127 -156 N ATOM 2 CA ASN A 2 8.125 2.018 18.266 1.00 46.42 C ANISOU 2 CA ASN A 2 5875 5884 5876 -48 -148 -77 C ATOM 3 C ASN A 2 7.692 0.976 17.232 1.00 45.43 C ANISOU 3 C ASN A 2 5737 5773 5748 -1 -166 -93 C ATOM 4 O ASN A 2 6.682 1.171 16.525 1.00 45.92 O ANISOU 4 O ASN A 2 5773 5816 5857 -42 -264 -92 O ATOM 5 CB ASN A 2 8.294 1.321 19.628 1.00 47.04 C ANISOU 5 CB ASN A 2 6000 6027 5845 -83 -74 -75 C ATOM 6 CG ASN A 2 8.772 2.255 20.732 1.00 48.86 C ANISOU 6 CG ASN A 2 6242 6292 6028 -156 -71 -87 C ATOM 7 OD1 ASN A 2 9.632 3.129 20.535 1.00 49.72 O ANISOU 7 OD1 ASN A 2 6111 6711 6067 -214 -78 -7 O ATOM 8 ND2 ASN A 2 8.207 2.061 21.921 1.00 51.34 N ANISOU 8 ND2 ASN A 2 6526 6728 6252 -46 -101 -34 N ATOM 0 HA ASN A 2 8.972 2.395 17.981 1.00 46.42 H new ATOM 0 HB2 ASN A 2 7.446 0.929 19.890 1.00 47.04 H new ATOM 0 HB3 ASN A 2 8.927 0.592 19.534 1.00 47.04 H new ATOM 0 HD21 ASN A 2 8.434 2.551 22.590 1.00 51.34 H new ATOM 0 HD22 ASN A 2 7.614 1.446 22.020 1.00 51.34 H new ATOM 9 N LEU A 3 8.458 -0.121 17.145 1.00 43.81 N ANISOU 9 N LEU A 3 5515 5591 5538 -54 -182 -60 N ATOM 10 CA LEU A 3 8.142 -1.242 16.243 1.00 41.90 C ANISOU 10 CA LEU A 3 5263 5446 5211 -102 -151 -9 C ATOM 11 C LEU A 3 6.821 -1.828 16.679 1.00 40.58 C ANISOU 11 C LEU A 3 5171 5389 4859 -199 -138 40 C ATOM 12 O LEU A 3 6.620 -2.107 17.871 1.00 41.99 O ANISOU 12 O LEU A 3 5385 5528 5039 -214 -140 1 O ATOM 13 CB LEU A 3 9.195 -2.374 16.288 1.00 42.51 C ANISOU 13 CB LEU A 3 5322 5502 5327 -16 -101 34 C ATOM 14 CG LEU A 3 8.974 -3.616 15.414 1.00 40.30 C ANISOU 14 CG LEU A 3 5031 5226 5054 -47 -255 80 C ATOM 15 CD1 LEU A 3 9.064 -3.220 13.964 1.00 41.09 C ANISOU 15 CD1 LEU A 3 4967 5267 5376 -138 -213 50 C ATOM 16 CD2 LEU A 3 9.986 -4.758 15.660 1.00 42.67 C ANISOU 16 CD2 LEU A 3 5294 5422 5497 -101 -130 23 C ATOM 0 H LEU A 3 9.174 -0.236 17.607 1.00 43.81 H new ATOM 0 HA LEU A 3 8.122 -0.893 15.338 1.00 41.90 H new ATOM 0 HB2 LEU A 3 10.051 -1.990 16.043 1.00 42.51 H new ATOM 0 HB3 LEU A 3 9.270 -2.671 17.208 1.00 42.51 H new ATOM 0 HG LEU A 3 8.098 -3.956 15.653 1.00 40.30 H new ATOM 0 HD11 LEU A 3 8.925 -4.001 13.406 1.00 41.09 H new ATOM 0 HD12 LEU A 3 8.384 -2.557 13.767 1.00 41.09 H new ATOM 0 HD13 LEU A 3 9.941 -2.846 13.784 1.00 41.09 H new ATOM 0 HD21 LEU A 3 9.782 -5.503 15.074 1.00 42.67 H new ATOM 0 HD22 LEU A 3 10.884 -4.440 15.477 1.00 42.67 H new ATOM 0 HD23 LEU A 3 9.928 -5.048 16.584 1.00 42.67 H new ATOM 17 N PRO A 4 5.906 -1.998 15.718 1.00 38.03 N ANISOU 17 N PRO A 4 4889 5156 4404 -304 -62 11 N ATOM 18 CA PRO A 4 4.562 -2.305 16.096 1.00 34.88 C ANISOU 18 CA PRO A 4 4560 4614 4077 -380 -178 35 C ATOM 19 C PRO A 4 4.371 -3.759 16.522 1.00 32.29 C ANISOU 19 C PRO A 4 4202 4350 3717 -471 -186 -29 C ATOM 20 O PRO A 4 4.979 -4.721 15.976 1.00 31.32 O ANISOU 20 O PRO A 4 3892 4130 3876 -747 -239 10 O ATOM 21 CB PRO A 4 3.756 -1.892 14.853 1.00 34.28 C ANISOU 21 CB PRO A 4 4545 4541 3939 -358 -127 -17 C ATOM 22 CG PRO A 4 4.672 -2.129 13.756 1.00 37.03 C ANISOU 22 CG PRO A 4 4677 5005 4386 -274 -17 -25 C ATOM 23 CD PRO A 4 6.028 -1.780 14.259 1.00 37.78 C ANISOU 23 CD PRO A 4 4955 5111 4287 -334 -158 53 C ATOM 0 HA PRO A 4 4.270 -1.835 16.892 1.00 34.88 H new ATOM 0 HB2 PRO A 4 2.947 -2.419 14.762 1.00 34.28 H new ATOM 0 HB3 PRO A 4 3.485 -0.962 14.897 1.00 34.28 H new ATOM 0 HG2 PRO A 4 4.637 -3.055 13.470 1.00 37.03 H new ATOM 0 HG3 PRO A 4 4.438 -1.586 12.987 1.00 37.03 H new ATOM 0 HD2 PRO A 4 6.713 -2.344 13.867 1.00 37.78 H new ATOM 0 HD3 PRO A 4 6.263 -0.862 14.051 1.00 37.78 H new ATOM 24 N THR A 5 3.585 -3.882 17.569 1.00 31.01 N ANISOU 24 N THR A 5 4358 4099 3321 -506 -323 -8 N ATOM 25 CA THR A 5 3.056 -5.160 17.973 1.00 29.46 C ANISOU 25 CA THR A 5 4234 3913 3047 -471 -368 96 C ATOM 26 C THR A 5 2.077 -5.621 16.888 1.00 27.69 C ANISOU 26 C THR A 5 4106 3579 2835 -478 -311 78 C ATOM 27 O THR A 5 1.725 -4.855 15.998 1.00 26.69 O ANISOU 27 O THR A 5 3959 3391 2791 -484 -379 120 O ATOM 28 CB THR A 5 2.205 -5.008 19.247 1.00 30.04 C ANISOU 28 CB THR A 5 4395 4046 2974 -315 -322 -42 C ATOM 29 OG1 THR A 5 1.191 -4.024 19.046 1.00 30.98 O ANISOU 29 OG1 THR A 5 4660 4262 2848 -237 -333 -57 O ATOM 30 CG2 THR A 5 3.038 -4.618 20.516 1.00 33.02 C ANISOU 30 CG2 THR A 5 4612 4543 3389 -369 -503 18 C ATOM 0 H THR A 5 3.343 -3.224 18.067 1.00 31.01 H new ATOM 0 HA THR A 5 3.794 -5.773 18.117 1.00 29.46 H new ATOM 0 HB THR A 5 1.816 -5.881 19.412 1.00 30.04 H new ATOM 0 HG1 THR A 5 0.731 -3.949 19.745 1.00 30.98 H new ATOM 0 HG21 THR A 5 2.446 -4.538 21.280 1.00 33.02 H new ATOM 0 HG22 THR A 5 3.701 -5.304 20.691 1.00 33.02 H new ATOM 0 HG23 THR A 5 3.483 -3.770 20.363 1.00 33.02 H new ATOM 31 N ALA A 6 1.608 -6.851 16.973 1.00 26.64 N ANISOU 31 N ALA A 6 3879 3398 2843 -526 -369 136 N ATOM 32 CA ALA A 6 0.619 -7.341 15.979 1.00 24.66 C ANISOU 32 CA ALA A 6 3696 3077 2594 -431 -120 135 C ATOM 33 C ALA A 6 -0.621 -6.456 15.943 1.00 24.67 C ANISOU 33 C ALA A 6 3749 2996 2628 -371 239 38 C ATOM 34 O ALA A 6 -1.100 -6.129 14.859 1.00 22.32 O ANISOU 34 O ALA A 6 3121 2762 2595 -359 298 -59 O ATOM 35 CB ALA A 6 0.283 -8.825 16.264 1.00 24.99 C ANISOU 35 CB ALA A 6 3649 2971 2876 -615 -57 255 C ATOM 0 H ALA A 6 1.832 -7.420 17.577 1.00 26.64 H new ATOM 0 HA ALA A 6 1.009 -7.290 15.092 1.00 24.66 H new ATOM 0 HB1 ALA A 6 -0.363 -9.141 15.613 1.00 24.99 H new ATOM 0 HB2 ALA A 6 1.091 -9.358 16.202 1.00 24.99 H new ATOM 0 HB3 ALA A 6 -0.090 -8.907 17.156 1.00 24.99 H new ATOM 36 N GLN A 7 -1.167 -6.055 17.102 1.00 25.47 N ANISOU 36 N GLN A 7 3883 3206 2586 -334 333 17 N ATOM 37 CA GLN A 7 -2.308 -5.143 17.116 1.00 27.18 C ANISOU 37 CA GLN A 7 4086 3469 2770 -256 310 91 C ATOM 38 C GLN A 7 -1.956 -3.827 16.442 1.00 25.77 C ANISOU 38 C GLN A 7 3957 3346 2485 -105 267 -23 C ATOM 39 O GLN A 7 -2.767 -3.283 15.689 1.00 26.69 O ANISOU 39 O GLN A 7 4061 3721 2356 -99 372 -41 O ATOM 40 CB GLN A 7 -2.805 -4.883 18.572 1.00 27.87 C ANISOU 40 CB GLN A 7 4249 3459 2879 -217 377 122 C ATOM 41 CG GLN A 7 -3.396 -6.169 19.208 1.00 31.64 C ANISOU 41 CG GLN A 7 4275 4003 3742 -219 436 190 C ATOM 42 CD GLN A 7 -4.293 -5.901 20.417 1.00 32.55 C ANISOU 42 CD GLN A 7 4460 4239 3668 -30 439 233 C ATOM 43 OE1 GLN A 7 -4.998 -4.783 20.403 1.00 39.59 O flip ANISOU 43 OE1 GLN A 7 5212 5091 4740 -116 108 432 O ATOM 44 NE2 GLN A 7 -4.377 -6.730 21.323 1.00 32.15 N flip ANISOU 44 NE2 GLN A 7 4387 3979 3849 -211 474 -288 N ATOM 0 H GLN A 7 -0.891 -6.300 17.879 1.00 25.47 H new ATOM 0 HA GLN A 7 -3.026 -5.565 16.619 1.00 27.18 H new ATOM 0 HB2 GLN A 7 -2.068 -4.562 19.114 1.00 27.87 H new ATOM 0 HB3 GLN A 7 -3.478 -4.185 18.566 1.00 27.87 H new ATOM 0 HG2 GLN A 7 -3.907 -6.647 18.536 1.00 31.64 H new ATOM 0 HG3 GLN A 7 -2.668 -6.751 19.478 1.00 31.64 H new ATOM 0 HE21 GLN A 7 -3.901 -7.446 21.296 1.00 32.15 H new ATOM 0 HE22 GLN A 7 -4.911 -6.593 21.983 1.00 32.15 H new ATOM 45 N GLU A 8 -0.744 -3.337 16.686 1.00 25.08 N ANISOU 45 N GLU A 8 4031 3214 2283 -324 187 -118 N ATOM 46 CA GLU A 8 -0.348 -2.060 16.096 1.00 25.69 C ANISOU 46 CA GLU A 8 4108 3163 2487 -305 102 -124 C ATOM 47 C GLU A 8 -0.187 -2.144 14.583 1.00 23.38 C ANISOU 47 C GLU A 8 3780 2855 2245 -325 -39 -161 C ATOM 48 O GLU A 8 -0.583 -1.235 13.887 1.00 23.13 O ANISOU 48 O GLU A 8 3765 2769 2254 -459 -13 -169 O ATOM 49 CB GLU A 8 0.906 -1.531 16.738 1.00 27.42 C ANISOU 49 CB GLU A 8 4329 3413 2674 -433 54 -256 C ATOM 50 CG GLU A 8 0.583 -1.016 18.186 1.00 30.57 C ANISOU 50 CG GLU A 8 4656 3871 3088 -113 334 -240 C ATOM 51 CD GLU A 8 1.819 -0.710 18.964 1.00 35.74 C ANISOU 51 CD GLU A 8 5248 4709 3620 -107 -28 -413 C ATOM 52 OE1 GLU A 8 2.932 -1.191 18.573 1.00 34.87 O ANISOU 52 OE1 GLU A 8 5144 4688 3415 -258 -404 -788 O ATOM 53 OE2 GLU A 8 1.699 0.021 19.993 1.00 41.48 O ANISOU 53 OE2 GLU A 8 6228 5246 4286 11 184 -678 O ATOM 0 H GLU A 8 -0.149 -3.716 17.177 1.00 25.08 H new ATOM 0 HA GLU A 8 -1.070 -1.436 16.272 1.00 25.69 H new ATOM 0 HB2 GLU A 8 1.579 -2.228 16.776 1.00 27.42 H new ATOM 0 HB3 GLU A 8 1.274 -0.810 16.203 1.00 27.42 H new ATOM 0 HG2 GLU A 8 0.033 -0.219 18.129 1.00 30.57 H new ATOM 0 HG3 GLU A 8 0.064 -1.686 18.657 1.00 30.57 H new ATOM 54 N VAL A 9 0.315 -3.264 14.100 1.00 21.74 N ANISOU 54 N VAL A 9 3293 2709 2257 -349 -120 -129 N ATOM 55 CA VAL A 9 0.374 -3.527 12.653 1.00 20.95 C ANISOU 55 CA VAL A 9 3061 2695 2204 -318 16 -10 C ATOM 56 C VAL A 9 -1.029 -3.540 12.041 1.00 20.53 C ANISOU 56 C VAL A 9 2865 2500 2433 -308 126 -30 C ATOM 57 O VAL A 9 -1.258 -2.947 11.001 1.00 20.01 O ANISOU 57 O VAL A 9 2791 2454 2357 -281 77 68 O ATOM 58 CB VAL A 9 1.119 -4.858 12.378 1.00 20.48 C ANISOU 58 CB VAL A 9 2837 2698 2245 -402 -143 -148 C ATOM 59 CG1 VAL A 9 1.011 -5.261 10.952 1.00 20.62 C ANISOU 59 CG1 VAL A 9 2889 2700 2244 -222 -29 -159 C ATOM 60 CG2 VAL A 9 2.597 -4.697 12.732 1.00 22.95 C ANISOU 60 CG2 VAL A 9 3198 2996 2525 -315 25 40 C ATOM 0 H VAL A 9 0.632 -3.897 14.588 1.00 21.74 H new ATOM 0 HA VAL A 9 0.870 -2.809 12.230 1.00 20.95 H new ATOM 0 HB VAL A 9 0.708 -5.546 12.925 1.00 20.48 H new ATOM 0 HG11 VAL A 9 1.487 -6.095 10.814 1.00 20.62 H new ATOM 0 HG12 VAL A 9 0.077 -5.380 10.719 1.00 20.62 H new ATOM 0 HG13 VAL A 9 1.399 -4.572 10.390 1.00 20.62 H new ATOM 0 HG21 VAL A 9 3.064 -5.530 12.560 1.00 22.95 H new ATOM 0 HG22 VAL A 9 2.985 -3.992 12.190 1.00 22.95 H new ATOM 0 HG23 VAL A 9 2.682 -4.467 13.671 1.00 22.95 H new ATOM 61 N GLN A 10 -1.985 -4.194 12.697 1.00 21.49 N ANISOU 61 N GLN A 10 3045 2665 2454 -317 256 33 N ATOM 62 CA GLN A 10 -3.357 -4.192 12.154 1.00 22.19 C ANISOU 62 CA GLN A 10 2948 2700 2780 -235 314 105 C ATOM 63 C GLN A 10 -3.851 -2.747 12.007 1.00 21.90 C ANISOU 63 C GLN A 10 3035 2708 2579 -243 495 -5 C ATOM 64 O GLN A 10 -4.444 -2.385 10.983 1.00 22.32 O ANISOU 64 O GLN A 10 2965 2747 2766 -349 644 -47 O ATOM 65 CB GLN A 10 -4.353 -5.001 13.022 1.00 25.06 C ANISOU 65 CB GLN A 10 3593 2860 3066 -228 536 67 C ATOM 66 CG GLN A 10 -4.152 -6.499 12.939 1.00 26.32 C ANISOU 66 CG GLN A 10 3279 3170 3551 -314 287 125 C ATOM 67 CD GLN A 10 -5.301 -7.214 13.522 1.00 31.24 C ANISOU 67 CD GLN A 10 4308 3894 3666 -337 474 195 C ATOM 68 OE1 GLN A 10 -5.707 -6.887 14.618 1.00 30.65 O ANISOU 68 OE1 GLN A 10 3928 3939 3777 302 1020 200 O ATOM 69 NE2 GLN A 10 -5.882 -8.197 12.773 1.00 30.95 N ANISOU 69 NE2 GLN A 10 4676 3439 3645 -297 307 91 N ATOM 0 H GLN A 10 -1.875 -4.631 13.430 1.00 21.49 H new ATOM 0 HA GLN A 10 -3.320 -4.627 11.288 1.00 22.19 H new ATOM 0 HB2 GLN A 10 -4.265 -4.721 13.947 1.00 25.06 H new ATOM 0 HB3 GLN A 10 -5.258 -4.788 12.746 1.00 25.06 H new ATOM 0 HG2 GLN A 10 -4.037 -6.763 12.013 1.00 26.32 H new ATOM 0 HG3 GLN A 10 -3.340 -6.747 13.408 1.00 26.32 H new ATOM 0 HE21 GLN A 10 -5.560 -8.396 12.001 1.00 30.95 H new ATOM 0 HE22 GLN A 10 -6.570 -8.617 13.074 1.00 30.95 H new ATOM 70 N GLY A 11 -3.583 -1.930 13.028 1.00 21.72 N ANISOU 70 N GLY A 11 3162 2658 2432 -243 540 -4 N ATOM 71 CA GLY A 11 -4.036 -0.562 13.028 1.00 22.52 C ANISOU 71 CA GLY A 11 3265 2746 2546 -215 404 -31 C ATOM 72 C GLY A 11 -3.350 0.242 11.934 1.00 20.55 C ANISOU 72 C GLY A 11 2822 2674 2311 -340 328 -175 C ATOM 73 O GLY A 11 -3.989 1.031 11.206 1.00 21.43 O ANISOU 73 O GLY A 11 2929 2652 2561 -100 558 -164 O ATOM 0 H GLY A 11 -3.138 -2.160 13.727 1.00 21.72 H new ATOM 0 HA2 GLY A 11 -4.997 -0.536 12.898 1.00 22.52 H new ATOM 0 HA3 GLY A 11 -3.856 -0.158 13.891 1.00 22.52 H new ATOM 74 N LEU A 12 -2.022 0.064 11.792 1.00 19.31 N ANISOU 74 N LEU A 12 2713 2552 2072 -346 294 -212 N ATOM 75 CA LEU A 12 -1.257 0.834 10.785 1.00 18.25 C ANISOU 75 CA LEU A 12 2370 2508 2056 -353 125 -110 C ATOM 76 C LEU A 12 -1.671 0.442 9.369 1.00 17.43 C ANISOU 76 C LEU A 12 2277 2299 2046 -345 -18 -177 C ATOM 77 O LEU A 12 -1.820 1.302 8.489 1.00 18.11 O ANISOU 77 O LEU A 12 2397 2268 2215 -347 26 -145 O ATOM 78 CB LEU A 12 0.227 0.589 10.956 1.00 18.93 C ANISOU 78 CB LEU A 12 2317 2635 2238 -331 95 -223 C ATOM 79 CG LEU A 12 0.874 1.271 12.196 1.00 22.10 C ANISOU 79 CG LEU A 12 3232 2768 2397 -316 0 -309 C ATOM 80 CD1 LEU A 12 2.219 0.634 12.526 1.00 24.42 C ANISOU 80 CD1 LEU A 12 3170 3166 2940 -412 -315 -173 C ATOM 81 CD2 LEU A 12 1.015 2.786 11.951 1.00 24.14 C ANISOU 81 CD2 LEU A 12 3647 2846 2678 -652 10 -450 C ATOM 0 H LEU A 12 -1.553 -0.486 12.258 1.00 19.31 H new ATOM 0 HA LEU A 12 -1.450 1.775 10.920 1.00 18.25 H new ATOM 0 HB2 LEU A 12 0.377 -0.367 11.016 1.00 18.93 H new ATOM 0 HB3 LEU A 12 0.685 0.899 10.159 1.00 18.93 H new ATOM 0 HG LEU A 12 0.295 1.139 12.963 1.00 22.10 H new ATOM 0 HD11 LEU A 12 2.604 1.073 13.300 1.00 24.42 H new ATOM 0 HD12 LEU A 12 2.092 -0.308 12.719 1.00 24.42 H new ATOM 0 HD13 LEU A 12 2.818 0.731 11.769 1.00 24.42 H new ATOM 0 HD21 LEU A 12 1.419 3.203 12.728 1.00 24.14 H new ATOM 0 HD22 LEU A 12 1.576 2.938 11.175 1.00 24.14 H new ATOM 0 HD23 LEU A 12 0.139 3.172 11.796 1.00 24.14 H new ATOM 82 N AMET A 13 -1.817 -0.854 9.126 0.60 17.02 N ANISOU 82 N AMET A 13 2076 2263 2125 -324 55 -68 N ATOM 83 N BMET A 13 -1.796 -0.869 9.161 0.40 17.62 N ANISOU 83 N BMET A 13 2152 2354 2188 -288 50 -129 N ATOM 84 CA AMET A 13 -2.187 -1.219 7.752 0.60 15.72 C ANISOU 84 CA AMET A 13 1829 2034 2109 -297 20 -141 C ATOM 85 CA BMET A 13 -2.204 -1.394 7.854 0.40 17.41 C ANISOU 85 CA BMET A 13 2022 2336 2254 -263 110 -200 C ATOM 86 C AMET A 13 -3.613 -0.820 7.400 0.60 17.17 C ANISOU 86 C AMET A 13 2069 2186 2266 -238 34 -132 C ATOM 87 C BMET A 13 -3.581 -0.877 7.440 0.40 17.93 C ANISOU 87 C BMET A 13 2142 2315 2353 -233 82 -194 C ATOM 88 O AMET A 13 -3.909 -0.425 6.274 0.60 16.21 O ANISOU 88 O AMET A 13 1548 2146 2462 -264 97 -245 O ATOM 89 O BMET A 13 -3.818 -0.467 6.306 0.40 16.75 O ANISOU 89 O BMET A 13 1599 2272 2492 -246 172 -285 O ATOM 90 CB AMET A 13 -1.911 -2.721 7.560 0.60 16.49 C ANISOU 90 CB AMET A 13 1931 2160 2174 -121 -2 84 C ATOM 91 CB BMET A 13 -2.207 -2.932 7.935 0.40 16.82 C ANISOU 91 CB BMET A 13 1933 2277 2181 -45 32 -277 C ATOM 92 CG AMET A 13 -0.415 -3.030 7.724 0.60 15.37 C ANISOU 92 CG AMET A 13 1220 2246 2371 -287 95 -62 C ATOM 93 CG BMET A 13 -0.817 -3.521 8.149 0.40 20.43 C ANISOU 93 CG BMET A 13 2207 2906 2650 -25 106 -83 C ATOM 94 SD AMET A 13 0.034 -4.779 7.411 0.60 14.44 S ANISOU 94 SD AMET A 13 1417 2032 2034 -154 -149 -60 S ATOM 95 SD BMET A 13 0.125 -3.529 6.654 0.40 21.69 S ANISOU 95 SD BMET A 13 1322 3963 2955 -57 -135 -620 S ATOM 96 CE AMET A 13 -0.245 -4.861 5.602 0.60 15.56 C ANISOU 96 CE AMET A 13 1573 1889 2448 -63 -179 -315 C ATOM 97 CE BMET A 13 -0.571 -4.912 5.739 0.40 23.89 C ANISOU 97 CE BMET A 13 2567 3234 3274 52 -167 -392 C ATOM 0 H AMET A 13 -1.718 -1.498 9.688 0.60 17.62 H new ATOM 0 H BMET A 13 -1.650 -1.469 9.759 0.40 17.62 H new ATOM 0 HA AMET A 13 -1.641 -0.717 7.127 0.60 17.41 H new ATOM 0 HA BMET A 13 -1.577 -1.091 7.179 0.40 17.41 H new ATOM 0 HB2AMET A 13 -2.423 -3.233 8.205 0.60 16.82 H new ATOM 0 HB2BMET A 13 -2.786 -3.211 8.661 0.40 16.82 H new ATOM 0 HB3AMET A 13 -2.207 -2.998 6.679 0.60 16.82 H new ATOM 0 HB3BMET A 13 -2.583 -3.293 7.117 0.40 16.82 H new ATOM 0 HG2AMET A 13 0.089 -2.464 7.118 0.60 20.43 H new ATOM 0 HG2BMET A 13 -0.348 -3.007 8.825 0.40 20.43 H new ATOM 0 HG3AMET A 13 -0.144 -2.794 8.625 0.60 20.43 H new ATOM 0 HG3BMET A 13 -0.897 -4.427 8.486 0.40 20.43 H new ATOM 0 HE1AMET A 13 -0.985 -5.460 5.415 0.60 23.89 H new ATOM 0 HE1BMET A 13 -0.303 -4.852 4.809 0.40 23.89 H new ATOM 0 HE2AMET A 13 -0.454 -3.975 5.266 0.60 23.89 H new ATOM 0 HE2BMET A 13 -0.247 -5.745 6.115 0.40 23.89 H new ATOM 0 HE3AMET A 13 0.556 -5.191 5.165 0.60 23.89 H new ATOM 0 HE3BMET A 13 -1.539 -4.886 5.799 0.40 23.89 H new ATOM 98 N ALA A 14 -4.488 -0.878 8.402 1.00 18.29 N ANISOU 98 N ALA A 14 2191 2280 2479 -391 102 -117 N ATOM 99 CA ALA A 14 -5.821 -0.345 8.184 1.00 19.24 C ANISOU 99 CA ALA A 14 2058 2415 2835 -439 356 56 C ATOM 100 C ALA A 14 -5.844 1.157 7.918 1.00 18.68 C ANISOU 100 C ALA A 14 2140 2517 2437 -168 302 -7 C ATOM 101 O ALA A 14 -6.567 1.641 7.033 1.00 19.08 O ANISOU 101 O ALA A 14 1750 2457 3040 -328 321 52 O ATOM 102 CB ALA A 14 -6.702 -0.679 9.394 1.00 20.75 C ANISOU 102 CB ALA A 14 2079 2726 3076 -342 535 44 C ATOM 0 H AALA A 14 -4.336 -1.208 9.182 0.60 18.29 H new ATOM 0 H BALA A 14 -4.351 -1.185 9.194 0.40 18.29 H new ATOM 0 HA ALA A 14 -6.166 -0.765 7.381 1.00 19.24 H new ATOM 0 HB1 ALA A 14 -7.594 -0.325 9.253 1.00 20.75 H new ATOM 0 HB2 ALA A 14 -6.750 -1.642 9.503 1.00 20.75 H new ATOM 0 HB3 ALA A 14 -6.320 -0.282 10.192 1.00 20.75 H new ATOM 103 N ARG A 15 -4.953 1.883 8.603 1.00 18.53 N ANISOU 103 N ARG A 15 2156 2335 2549 -365 386 -139 N ATOM 104 CA ARG A 15 -4.841 3.307 8.388 1.00 19.32 C ANISOU 104 CA ARG A 15 2635 2287 2419 -180 427 -232 C ATOM 105 C ARG A 15 -4.341 3.558 6.957 1.00 17.41 C ANISOU 105 C ARG A 15 2233 2029 2353 -294 325 -106 C ATOM 106 O ARG A 15 -4.822 4.452 6.249 1.00 18.63 O ANISOU 106 O ARG A 15 2086 2130 2863 -22 292 -186 O ATOM 107 CB ARG A 15 -3.810 3.906 9.387 1.00 21.61 C ANISOU 107 CB ARG A 15 3025 2537 2646 -386 199 -141 C ATOM 108 CG ARG A 15 -3.497 5.409 9.101 1.00 25.99 C ANISOU 108 CG ARG A 15 3891 2704 3279 -465 442 -68 C ATOM 109 CD ARG A 15 -3.706 6.378 10.281 1.00 30.92 C ANISOU 109 CD ARG A 15 4499 3332 3916 -417 -38 -217 C ATOM 110 NE ARG A 15 -3.456 7.809 9.929 1.00 29.56 N ANISOU 110 NE ARG A 15 4097 3355 3780 -531 -166 176 N ATOM 111 CZ ARG A 15 -2.255 8.268 9.594 1.00 27.48 C ANISOU 111 CZ ARG A 15 3359 3472 3607 12 -209 27 C ATOM 112 NH1 ARG A 15 -1.182 7.478 9.625 1.00 27.75 N ANISOU 112 NH1 ARG A 15 3406 3676 3462 334 -523 -139 N ATOM 113 NH2 ARG A 15 -2.080 9.510 9.231 1.00 25.88 N ANISOU 113 NH2 ARG A 15 3227 3061 3544 -281 -486 -281 N ATOM 0 H ARG A 15 -4.413 1.562 9.190 1.00 18.53 H new ATOM 0 HA ARG A 15 -5.707 3.723 8.521 1.00 19.32 H new ATOM 0 HB2 ARG A 15 -4.151 3.817 10.291 1.00 21.61 H new ATOM 0 HB3 ARG A 15 -2.987 3.394 9.343 1.00 21.61 H new ATOM 0 HG2 ARG A 15 -2.575 5.479 8.807 1.00 25.99 H new ATOM 0 HG3 ARG A 15 -4.053 5.702 8.362 1.00 25.99 H new ATOM 0 HD2 ARG A 15 -4.615 6.287 10.608 1.00 30.92 H new ATOM 0 HD3 ARG A 15 -3.116 6.123 11.008 1.00 30.92 H new ATOM 0 HE ARG A 15 -4.117 8.358 9.944 1.00 29.56 H new ATOM 0 HH11 ARG A 15 -1.260 6.656 9.865 1.00 27.75 H new ATOM 0 HH12 ARG A 15 -0.412 7.790 9.405 1.00 27.75 H new ATOM 0 HH21 ARG A 15 -2.750 10.049 9.205 1.00 25.88 H new ATOM 0 HH22 ARG A 15 -1.295 9.789 9.018 1.00 25.88 H new ATOM 114 N TYR A 16 -3.343 2.761 6.524 1.00 15.92 N ANISOU 114 N TYR A 16 1610 2168 2269 -129 155 -293 N ATOM 115 CA TYR A 16 -2.911 2.904 5.148 1.00 15.48 C ANISOU 115 CA TYR A 16 1371 2094 2416 -90 22 -203 C ATOM 116 C TYR A 16 -4.042 2.819 4.146 1.00 14.98 C ANISOU 116 C TYR A 16 1244 2175 2271 84 325 -200 C ATOM 117 O TYR A 16 -4.108 3.646 3.240 1.00 16.17 O ANISOU 117 O TYR A 16 1639 2003 2502 -17 163 -84 O ATOM 118 CB TYR A 16 -1.825 1.872 4.870 1.00 16.56 C ANISOU 118 CB TYR A 16 1704 2228 2358 145 57 -240 C ATOM 119 CG TYR A 16 -1.400 1.818 3.442 1.00 14.10 C ANISOU 119 CG TYR A 16 1079 2004 2274 82 26 -76 C ATOM 120 CD1 TYR A 16 -0.368 2.620 2.912 1.00 16.72 C ANISOU 120 CD1 TYR A 16 1506 2376 2471 -67 5 -123 C ATOM 121 CD2 TYR A 16 -2.017 0.889 2.577 1.00 15.30 C ANISOU 121 CD2 TYR A 16 1114 2213 2485 -83 -28 -329 C ATOM 122 CE1 TYR A 16 -0.062 2.529 1.578 1.00 14.87 C ANISOU 122 CE1 TYR A 16 651 2494 2503 -84 -70 -198 C ATOM 123 CE2 TYR A 16 -1.690 0.810 1.220 1.00 17.32 C ANISOU 123 CE2 TYR A 16 1535 2321 2721 226 138 -54 C ATOM 124 CZ TYR A 16 -0.713 1.617 0.747 1.00 15.64 C ANISOU 124 CZ TYR A 16 1101 2350 2490 -184 4 -256 C ATOM 125 OH TYR A 16 -0.353 1.557 -0.618 1.00 17.67 O ANISOU 125 OH TYR A 16 1480 2624 2608 9 186 -157 O ATOM 0 H TYR A 16 -2.932 2.168 6.992 1.00 15.92 H new ATOM 0 HA TYR A 16 -2.553 3.799 5.035 1.00 15.48 H new ATOM 0 HB2 TYR A 16 -1.052 2.071 5.422 1.00 16.56 H new ATOM 0 HB3 TYR A 16 -2.146 0.996 5.137 1.00 16.56 H new ATOM 0 HD1 TYR A 16 0.101 3.205 3.462 1.00 16.72 H new ATOM 0 HD2 TYR A 16 -2.661 0.312 2.920 1.00 15.30 H new ATOM 0 HE1 TYR A 16 0.592 3.086 1.221 1.00 14.87 H new ATOM 0 HE2 TYR A 16 -2.133 0.217 0.657 1.00 17.32 H new ATOM 0 HH TYR A 16 -0.712 0.886 -0.973 1.00 17.67 H new ATOM 126 N ILE A 17 -4.946 1.808 4.267 1.00 16.15 N ANISOU 126 N ILE A 17 1496 2052 2588 -107 -22 -183 N ATOM 127 CA ILE A 17 -6.041 1.738 3.351 1.00 17.44 C ANISOU 127 CA ILE A 17 1837 1980 2809 -22 -68 -90 C ATOM 128 C ILE A 17 -6.954 2.951 3.439 1.00 16.34 C ANISOU 128 C ILE A 17 1499 2155 2552 -71 135 -160 C ATOM 129 O ILE A 17 -7.353 3.409 2.414 1.00 16.99 O ANISOU 129 O ILE A 17 1312 2275 2868 1 0 -172 O ATOM 130 CB ILE A 17 -6.841 0.456 3.619 1.00 18.32 C ANISOU 130 CB ILE A 17 1714 2112 3131 -76 -189 -45 C ATOM 131 CG1 ILE A 17 -5.959 -0.763 3.400 1.00 19.29 C ANISOU 131 CG1 ILE A 17 1791 2237 3301 -27 -272 -149 C ATOM 132 CG2 ILE A 17 -8.053 0.410 2.680 1.00 20.48 C ANISOU 132 CG2 ILE A 17 1595 2491 3692 -180 -680 9 C ATOM 133 CD1 ILE A 17 -5.439 -0.836 1.923 1.00 25.01 C ANISOU 133 CD1 ILE A 17 2841 3077 3581 575 -55 -241 C ATOM 0 H ILE A 17 -4.919 1.188 4.862 1.00 16.15 H new ATOM 0 HA ILE A 17 -5.675 1.726 2.453 1.00 17.44 H new ATOM 0 HB ILE A 17 -7.149 0.452 4.539 1.00 18.32 H new ATOM 0 HG12 ILE A 17 -5.205 -0.732 4.009 1.00 19.29 H new ATOM 0 HG13 ILE A 17 -6.459 -1.568 3.609 1.00 19.29 H new ATOM 0 HG21 ILE A 17 -8.561 -0.399 2.847 1.00 20.48 H new ATOM 0 HG22 ILE A 17 -8.616 1.184 2.840 1.00 20.48 H new ATOM 0 HG23 ILE A 17 -7.749 0.417 1.759 1.00 20.48 H new ATOM 0 HD11 ILE A 17 -4.881 -1.622 1.815 1.00 25.01 H new ATOM 0 HD12 ILE A 17 -6.194 -0.890 1.316 1.00 25.01 H new ATOM 0 HD13 ILE A 17 -4.920 -0.041 1.723 1.00 25.01 H new ATOM 134 N GLU A 18 -7.235 3.448 4.639 1.00 17.98 N ANISOU 134 N GLU A 18 1717 2127 2986 -115 215 -277 N ATOM 135 CA GLU A 18 -8.006 4.654 4.763 1.00 18.71 C ANISOU 135 CA GLU A 18 1685 2373 3051 129 143 -215 C ATOM 136 C GLU A 18 -7.425 5.853 4.054 1.00 17.64 C ANISOU 136 C GLU A 18 1455 2219 3029 221 86 -170 C ATOM 137 O GLU A 18 -8.095 6.637 3.403 1.00 20.60 O ANISOU 137 O GLU A 18 2049 2376 3403 208 225 -280 O ATOM 138 CB GLU A 18 -8.222 4.955 6.230 1.00 21.63 C ANISOU 138 CB GLU A 18 2352 2684 3180 105 262 -254 C ATOM 139 CG GLU A 18 -9.296 4.050 6.887 1.00 30.89 C ANISOU 139 CG GLU A 18 3435 3854 4445 -213 226 35 C ATOM 140 CD GLU A 18 -10.619 3.931 6.091 1.00 36.11 C ANISOU 140 CD GLU A 18 4228 4565 4926 10 -80 -181 C ATOM 141 OE1 GLU A 18 -10.841 2.895 5.484 1.00 34.31 O ANISOU 141 OE1 GLU A 18 3396 4463 5177 -562 323 -379 O ATOM 142 OE2 GLU A 18 -11.454 4.869 6.083 1.00 38.54 O ANISOU 142 OE2 GLU A 18 3695 5319 5627 417 90 43 O ATOM 0 H GLU A 18 -6.986 3.097 5.384 1.00 17.98 H new ATOM 0 HA GLU A 18 -8.850 4.487 4.315 1.00 18.71 H new ATOM 0 HB2 GLU A 18 -7.382 4.847 6.704 1.00 21.63 H new ATOM 0 HB3 GLU A 18 -8.485 5.883 6.328 1.00 21.63 H new ATOM 0 HG2 GLU A 18 -8.924 3.162 7.006 1.00 30.89 H new ATOM 0 HG3 GLU A 18 -9.495 4.395 7.771 1.00 30.89 H new ATOM 143 N LEU A 19 -6.086 5.951 4.092 1.00 17.89 N ANISOU 143 N LEU A 19 1487 2198 3111 209 408 -192 N ATOM 144 CA LEU A 19 -5.428 7.087 3.450 1.00 17.55 C ANISOU 144 CA LEU A 19 1239 2259 3168 206 265 116 C ATOM 145 C LEU A 19 -5.417 6.912 1.934 1.00 16.56 C ANISOU 145 C LEU A 19 1301 1970 3019 238 215 -24 C ATOM 146 O LEU A 19 -5.467 7.877 1.179 1.00 18.88 O ANISOU 146 O LEU A 19 1973 1988 3211 360 200 153 O ATOM 147 CB LEU A 19 -4.012 7.267 3.933 1.00 17.04 C ANISOU 147 CB LEU A 19 1257 1989 3228 131 206 -88 C ATOM 148 CG LEU A 19 -3.861 7.523 5.449 1.00 17.92 C ANISOU 148 CG LEU A 19 1507 2213 3089 -2 103 -95 C ATOM 149 CD1 LEU A 19 -2.381 7.590 5.738 1.00 19.13 C ANISOU 149 CD1 LEU A 19 1663 2248 3356 -61 107 -96 C ATOM 150 CD2 LEU A 19 -4.529 8.851 5.757 1.00 20.84 C ANISOU 150 CD2 LEU A 19 2338 2203 3377 144 94 -274 C ATOM 0 H LEU A 19 -5.560 5.387 4.473 1.00 17.89 H new ATOM 0 HA LEU A 19 -5.936 7.878 3.689 1.00 17.55 H new ATOM 0 HB2 LEU A 19 -3.503 6.474 3.701 1.00 17.04 H new ATOM 0 HB3 LEU A 19 -3.614 8.010 3.453 1.00 17.04 H new ATOM 0 HG LEU A 19 -4.269 6.829 5.990 1.00 17.92 H new ATOM 0 HD11 LEU A 19 -2.243 7.750 6.685 1.00 19.13 H new ATOM 0 HD12 LEU A 19 -1.964 6.750 5.489 1.00 19.13 H new ATOM 0 HD13 LEU A 19 -1.984 8.312 5.227 1.00 19.13 H new ATOM 0 HD21 LEU A 19 -4.451 9.041 6.705 1.00 20.84 H new ATOM 0 HD22 LEU A 19 -4.097 9.556 5.250 1.00 20.84 H new ATOM 0 HD23 LEU A 19 -5.467 8.806 5.513 1.00 20.84 H new ATOM 151 N VAL A 20 -5.219 5.671 1.466 1.00 18.57 N ANISOU 151 N VAL A 20 1813 2044 3199 259 312 -119 N ATOM 152 CA VAL A 20 -5.347 5.468 0.025 1.00 18.56 C ANISOU 152 CA VAL A 20 1875 2086 3089 419 23 92 C ATOM 153 C VAL A 20 -6.798 5.790 -0.405 1.00 19.49 C ANISOU 153 C VAL A 20 2126 2168 3110 211 -47 42 C ATOM 154 O VAL A 20 -7.001 6.406 -1.467 1.00 21.91 O ANISOU 154 O VAL A 20 2601 2405 3316 197 -55 135 O ATOM 155 CB VAL A 20 -4.930 4.026 -0.337 1.00 18.37 C ANISOU 155 CB VAL A 20 1786 2230 2960 350 432 -166 C ATOM 156 CG1 VAL A 20 -5.290 3.690 -1.797 1.00 20.22 C ANISOU 156 CG1 VAL A 20 2120 2528 3033 456 12 -73 C ATOM 157 CG2 VAL A 20 -3.509 3.791 -0.053 1.00 18.29 C ANISOU 157 CG2 VAL A 20 1558 2260 3130 485 441 19 C ATOM 0 H VAL A 20 -5.022 4.977 1.935 1.00 18.57 H new ATOM 0 HA VAL A 20 -4.756 6.066 -0.458 1.00 18.56 H new ATOM 0 HB VAL A 20 -5.435 3.421 0.229 1.00 18.37 H new ATOM 0 HG11 VAL A 20 -5.018 2.781 -1.997 1.00 20.22 H new ATOM 0 HG12 VAL A 20 -6.248 3.775 -1.922 1.00 20.22 H new ATOM 0 HG13 VAL A 20 -4.831 4.303 -2.393 1.00 20.22 H new ATOM 0 HG21 VAL A 20 -3.278 2.879 -0.290 1.00 18.29 H new ATOM 0 HG22 VAL A 20 -2.969 4.407 -0.573 1.00 18.29 H new ATOM 0 HG23 VAL A 20 -3.340 3.932 0.892 1.00 18.29 H new ATOM 158 N ASP A 21 -7.787 5.334 0.385 1.00 19.76 N ANISOU 158 N ASP A 21 2126 2279 3101 -22 -145 -94 N ATOM 159 CA ASP A 21 -9.199 5.555 0.007 1.00 21.73 C ANISOU 159 CA ASP A 21 2477 2264 3514 229 -184 -97 C ATOM 160 C ASP A 21 -9.534 7.050 -0.106 1.00 21.96 C ANISOU 160 C ASP A 21 2370 2363 3609 323 -248 -108 C ATOM 161 O ASP A 21 -10.288 7.421 -0.997 1.00 26.26 O ANISOU 161 O ASP A 21 2967 2818 4190 277 -333 -22 O ATOM 162 CB ASP A 21 -10.099 4.895 1.048 1.00 21.57 C ANISOU 162 CB ASP A 21 2203 2641 3350 111 -118 -182 C ATOM 163 CG ASP A 21 -11.565 5.028 0.703 1.00 23.32 C ANISOU 163 CG ASP A 21 2441 2849 3568 487 -12 -361 C ATOM 164 OD1 ASP A 21 -11.935 4.541 -0.366 1.00 22.59 O ANISOU 164 OD1 ASP A 21 1779 2949 3853 332 -131 -478 O ATOM 165 OD2 ASP A 21 -12.368 5.628 1.494 1.00 28.14 O ANISOU 165 OD2 ASP A 21 2653 3938 4101 258 292 -523 O ATOM 0 H ASP A 21 -7.668 4.907 1.122 1.00 19.76 H new ATOM 0 HA ASP A 21 -9.348 5.160 -0.866 1.00 21.73 H new ATOM 0 HB2 ASP A 21 -9.870 3.955 1.122 1.00 21.57 H new ATOM 0 HB3 ASP A 21 -9.935 5.296 1.916 1.00 21.57 H new ATOM 166 N VAL A 22 -8.994 7.896 0.748 1.00 20.57 N ANISOU 166 N VAL A 22 1943 2109 3761 106 -119 -2 N ATOM 167 CA VAL A 22 -9.303 9.296 0.562 1.00 23.03 C ANISOU 167 CA VAL A 22 2177 2479 4094 79 4 48 C ATOM 168 C VAL A 22 -8.329 9.950 -0.407 1.00 22.01 C ANISOU 168 C VAL A 22 1854 2290 4218 71 -146 152 C ATOM 169 O VAL A 22 -8.548 11.060 -0.898 1.00 24.55 O ANISOU 169 O VAL A 22 2061 2437 4827 216 -251 389 O ATOM 170 CB VAL A 22 -9.386 10.065 1.846 1.00 25.79 C ANISOU 170 CB VAL A 22 2438 3169 4192 -119 56 -10 C ATOM 171 CG1 VAL A 22 -10.574 9.624 2.734 1.00 30.63 C ANISOU 171 CG1 VAL A 22 2819 4065 4751 -212 215 63 C ATOM 172 CG2 VAL A 22 -8.014 10.197 2.556 1.00 22.90 C ANISOU 172 CG2 VAL A 22 2021 2473 4203 388 189 -125 C ATOM 0 H VAL A 22 -8.476 7.698 1.405 1.00 20.57 H new ATOM 0 HA VAL A 22 -10.192 9.324 0.174 1.00 23.03 H new ATOM 0 HB VAL A 22 -9.608 10.982 1.621 1.00 25.79 H new ATOM 0 HG11 VAL A 22 -10.582 10.150 3.549 1.00 30.63 H new ATOM 0 HG12 VAL A 22 -11.405 9.760 2.253 1.00 30.63 H new ATOM 0 HG13 VAL A 22 -10.480 8.685 2.957 1.00 30.63 H new ATOM 0 HG21 VAL A 22 -8.122 10.701 3.378 1.00 22.90 H new ATOM 0 HG22 VAL A 22 -7.669 9.314 2.761 1.00 22.90 H new ATOM 0 HG23 VAL A 22 -7.391 10.659 1.974 1.00 22.90 H new ATOM 173 N GLY A 23 -7.150 9.359 -0.597 1.00 21.83 N ANISOU 173 N GLY A 23 2004 2438 3851 373 138 86 N ATOM 174 CA GLY A 23 -6.199 9.899 -1.528 1.00 21.85 C ANISOU 174 CA GLY A 23 2131 2336 3836 65 -75 122 C ATOM 175 C GLY A 23 -5.289 10.966 -0.965 1.00 20.86 C ANISOU 175 C GLY A 23 1917 2503 3505 300 -207 244 C ATOM 176 O GLY A 23 -4.933 11.901 -1.674 1.00 22.76 O ANISOU 176 O GLY A 23 1981 2576 4089 120 -206 404 O ATOM 0 H GLY A 23 -6.893 8.646 -0.191 1.00 21.83 H new ATOM 0 HA2 GLY A 23 -5.652 9.174 -1.869 1.00 21.85 H new ATOM 0 HA3 GLY A 23 -6.681 10.270 -2.284 1.00 21.85 H new ATOM 177 N ASP A 24 -4.964 10.854 0.319 1.00 21.31 N ANISOU 177 N ASP A 24 2023 2724 3348 285 -105 14 N ATOM 178 CA ASP A 24 -4.102 11.858 0.969 1.00 21.15 C ANISOU 178 CA ASP A 24 1897 2816 3321 326 66 -128 C ATOM 179 C ASP A 24 -2.621 11.467 0.785 1.00 20.07 C ANISOU 179 C ASP A 24 1727 2799 3096 177 -153 50 C ATOM 180 O ASP A 24 -2.045 10.706 1.559 1.00 19.72 O ANISOU 180 O ASP A 24 1675 2736 3081 85 -15 -24 O ATOM 181 CB ASP A 24 -4.409 11.958 2.424 1.00 21.24 C ANISOU 181 CB ASP A 24 1760 2872 3437 370 127 -95 C ATOM 182 CG ASP A 24 -3.750 13.170 3.058 1.00 22.13 C ANISOU 182 CG ASP A 24 1863 2719 3824 565 199 -140 C ATOM 183 OD1 ASP A 24 -2.626 13.563 2.608 1.00 23.29 O ANISOU 183 OD1 ASP A 24 1722 2892 4234 434 150 -132 O ATOM 184 OD2 ASP A 24 -4.273 13.632 4.078 1.00 22.18 O ANISOU 184 OD2 ASP A 24 1509 3325 3591 392 -166 -414 O ATOM 0 H ASP A 24 -5.225 10.215 0.832 1.00 21.31 H new ATOM 0 HA ASP A 24 -4.270 12.719 0.556 1.00 21.15 H new ATOM 0 HB2 ASP A 24 -5.370 12.010 2.549 1.00 21.24 H new ATOM 0 HB3 ASP A 24 -4.107 11.153 2.874 1.00 21.24 H new ATOM 185 N ILE A 25 -2.083 11.926 -0.327 1.00 18.93 N ANISOU 185 N ILE A 25 904 2957 3330 342 -50 181 N ATOM 186 CA ILE A 25 -0.722 11.523 -0.735 1.00 18.24 C ANISOU 186 CA ILE A 25 694 2966 3269 310 -235 196 C ATOM 187 C ILE A 25 0.327 11.867 0.283 1.00 19.98 C ANISOU 187 C ILE A 25 1692 2549 3347 -189 -93 152 C ATOM 188 O ILE A 25 1.133 11.020 0.683 1.00 20.13 O ANISOU 188 O ILE A 25 1751 2491 3405 156 130 321 O ATOM 189 CB ILE A 25 -0.413 12.200 -2.116 1.00 19.83 C ANISOU 189 CB ILE A 25 1294 2964 3277 254 -18 -26 C ATOM 190 CG1 ILE A 25 -1.364 11.597 -3.187 1.00 24.58 C ANISOU 190 CG1 ILE A 25 2274 3947 3116 153 -263 31 C ATOM 191 CG2 ILE A 25 1.022 11.975 -2.431 1.00 23.94 C ANISOU 191 CG2 ILE A 25 2033 3493 3569 253 78 81 C ATOM 192 CD1 ILE A 25 -1.457 12.464 -4.413 1.00 34.37 C ANISOU 192 CD1 ILE A 25 4252 4579 4229 196 -134 151 C ATOM 0 H ILE A 25 -2.475 12.469 -0.867 1.00 18.93 H new ATOM 0 HA ILE A 25 -0.695 10.556 -0.811 1.00 18.24 H new ATOM 0 HB ILE A 25 -0.567 13.157 -2.096 1.00 19.83 H new ATOM 0 HG12 ILE A 25 -1.048 10.715 -3.439 1.00 24.58 H new ATOM 0 HG13 ILE A 25 -2.248 11.483 -2.805 1.00 24.58 H new ATOM 0 HG21 ILE A 25 1.235 12.387 -3.283 1.00 23.94 H new ATOM 0 HG22 ILE A 25 1.572 12.369 -1.736 1.00 23.94 H new ATOM 0 HG23 ILE A 25 1.197 11.022 -2.480 1.00 23.94 H new ATOM 0 HD11 ILE A 25 -2.058 12.054 -5.055 1.00 34.37 H new ATOM 0 HD12 ILE A 25 -1.796 13.339 -4.166 1.00 34.37 H new ATOM 0 HD13 ILE A 25 -0.577 12.559 -4.810 1.00 34.37 H new ATOM 193 N GLU A 26 0.242 13.042 0.851 1.00 20.57 N ANISOU 193 N GLU A 26 2033 2493 3289 195 84 58 N ATOM 194 CA GLU A 26 1.222 13.419 1.849 1.00 20.98 C ANISOU 194 CA GLU A 26 1857 2553 3560 14 27 55 C ATOM 195 C GLU A 26 1.141 12.588 3.130 1.00 19.29 C ANISOU 195 C GLU A 26 1576 2414 3338 -30 94 -96 C ATOM 196 O GLU A 26 2.213 12.190 3.667 1.00 19.47 O ANISOU 196 O GLU A 26 1522 2412 3461 -52 75 -57 O ATOM 197 CB GLU A 26 1.166 14.954 2.114 1.00 23.85 C ANISOU 197 CB GLU A 26 2497 2675 3890 33 81 63 C ATOM 198 CG GLU A 26 1.603 15.745 0.861 1.00 26.26 C ANISOU 198 CG GLU A 26 2723 3197 4056 4 -57 166 C ATOM 199 CD GLU A 26 1.489 17.260 0.935 1.00 28.23 C ANISOU 199 CD GLU A 26 2777 3595 4354 -290 -140 137 C ATOM 200 OE1 GLU A 26 1.293 17.875 2.029 1.00 35.12 O ANISOU 200 OE1 GLU A 26 3940 4378 5023 308 168 -119 O ATOM 201 OE2 GLU A 26 1.594 17.824 -0.182 1.00 33.02 O ANISOU 201 OE2 GLU A 26 2915 4508 5121 -539 -164 507 O ATOM 0 H GLU A 26 -0.361 13.631 0.682 1.00 20.57 H new ATOM 0 HA GLU A 26 2.097 13.212 1.485 1.00 20.98 H new ATOM 0 HB2 GLU A 26 0.265 15.210 2.365 1.00 23.85 H new ATOM 0 HB3 GLU A 26 1.743 15.179 2.861 1.00 23.85 H new ATOM 0 HG2 GLU A 26 2.527 15.520 0.668 1.00 26.26 H new ATOM 0 HG3 GLU A 26 1.073 15.438 0.109 1.00 26.26 H new ATOM 202 N ALA A 27 -0.079 12.183 3.514 1.00 17.90 N ANISOU 202 N ALA A 27 1548 2118 3134 -156 200 -134 N ATOM 203 CA ALA A 27 -0.227 11.374 4.709 1.00 18.41 C ANISOU 203 CA ALA A 27 1672 2075 3246 -1 144 -153 C ATOM 204 C ALA A 27 0.290 9.955 4.408 1.00 17.75 C ANISOU 204 C ALA A 27 1787 2078 2876 30 139 -143 C ATOM 205 O ALA A 27 0.884 9.325 5.287 1.00 17.14 O ANISOU 205 O ALA A 27 1598 2076 2837 -153 63 -190 O ATOM 206 CB ALA A 27 -1.724 11.321 5.177 1.00 20.18 C ANISOU 206 CB ALA A 27 1858 2422 3386 207 315 -174 C ATOM 0 H ALA A 27 -0.811 12.366 3.101 1.00 17.90 H new ATOM 0 HA ALA A 27 0.288 11.771 5.429 1.00 18.41 H new ATOM 0 HB1 ALA A 27 -1.794 10.775 5.976 1.00 20.18 H new ATOM 0 HB2 ALA A 27 -2.034 12.219 5.371 1.00 20.18 H new ATOM 0 HB3 ALA A 27 -2.270 10.936 4.474 1.00 20.18 H new ATOM 207 N ILE A 28 0.040 9.466 3.205 1.00 16.55 N ANISOU 207 N ILE A 28 1449 2044 2795 143 125 -201 N ATOM 208 CA AILE A 28 0.531 8.140 2.847 0.50 16.98 C ANISOU 208 CA AILE A 28 1506 2189 2755 30 43 -118 C ATOM 209 CA BILE A 28 0.530 8.123 2.882 0.50 16.81 C ANISOU 209 CA BILE A 28 1472 2171 2743 27 41 -121 C ATOM 210 C ILE A 28 2.052 8.112 2.895 1.00 16.84 C ANISOU 210 C ILE A 28 1718 1940 2740 3 13 -100 C ATOM 211 O ILE A 28 2.648 7.194 3.470 1.00 16.99 O ANISOU 211 O ILE A 28 1697 2034 2722 169 26 -1 O ATOM 212 CB AILE A 28 0.036 7.771 1.412 0.50 16.33 C ANISOU 212 CB AILE A 28 1287 2177 2738 46 23 -281 C ATOM 213 CB BILE A 28 0.045 7.660 1.472 0.50 15.99 C ANISOU 213 CB BILE A 28 1245 2129 2702 59 33 -277 C ATOM 214 CG1AILE A 28 -1.451 7.382 1.421 0.50 18.34 C ANISOU 214 CG1AILE A 28 1041 2819 3105 -152 206 18 C ATOM 215 CG1BILE A 28 -1.490 7.517 1.384 0.50 16.45 C ANISOU 215 CG1BILE A 28 722 2595 2933 -167 230 59 C ATOM 216 CG2AILE A 28 0.843 6.575 0.835 0.50 16.81 C ANISOU 216 CG2AILE A 28 1253 2318 2816 198 -39 -43 C ATOM 217 CG2BILE A 28 0.730 6.330 1.058 0.50 16.31 C ANISOU 217 CG2BILE A 28 1059 2353 2781 263 -91 -99 C ATOM 218 CD1AILE A 28 -1.616 5.973 1.743 0.50 25.95 C ANISOU 218 CD1AILE A 28 2626 3382 3851 -177 -98 236 C ATOM 219 CD1BILE A 28 -1.981 7.604 -0.048 0.50 15.64 C ANISOU 219 CD1BILE A 28 929 2554 2457 -303 220 -283 C ATOM 0 H AILE A 28 -0.402 9.873 2.590 0.50 16.55 H new ATOM 0 H BILE A 28 -0.392 9.869 2.580 0.50 16.55 H new ATOM 0 HA AILE A 28 0.189 7.492 3.482 0.50 16.81 H new ATOM 0 HA BILE A 28 0.178 7.515 3.551 0.50 16.81 H new ATOM 0 HB AILE A 28 0.167 8.557 0.859 0.50 15.99 H new ATOM 0 HB BILE A 28 0.304 8.359 0.852 0.50 15.99 H new ATOM 0 HG12AILE A 28 -1.927 7.924 2.069 0.50 16.45 H new ATOM 0 HG12BILE A 28 -1.758 6.667 1.767 0.50 16.45 H new ATOM 0 HG13AILE A 28 -1.843 7.568 0.553 0.50 16.45 H new ATOM 0 HG13BILE A 28 -1.911 8.212 1.913 0.50 16.45 H new ATOM 0 HG21AILE A 28 0.519 6.365 -0.055 0.50 16.31 H new ATOM 0 HG21BILE A 28 0.414 6.062 0.181 0.50 16.31 H new ATOM 0 HG22AILE A 28 1.783 6.811 0.789 0.50 16.31 H new ATOM 0 HG22BILE A 28 1.691 6.456 1.030 0.50 16.31 H new ATOM 0 HG23AILE A 28 0.732 5.802 1.410 0.50 16.31 H new ATOM 0 HG23BILE A 28 0.513 5.639 1.704 0.50 16.31 H new ATOM 0 HD11AILE A 28 -2.560 5.749 1.743 0.50 15.64 H new ATOM 0 HD11BILE A 28 -2.946 7.510 -0.066 0.50 15.64 H new ATOM 0 HD12AILE A 28 -1.156 5.434 1.081 0.50 15.64 H new ATOM 0 HD12BILE A 28 -1.733 8.463 -0.424 0.50 15.64 H new ATOM 0 HD13AILE A 28 -1.242 5.795 2.620 0.50 15.64 H new ATOM 0 HD13BILE A 28 -1.578 6.894 -0.572 0.50 15.64 H new ATOM 220 N VAL A 29 2.667 9.116 2.283 1.00 15.96 N ANISOU 220 N VAL A 29 1226 2043 2795 -100 -22 -109 N ATOM 221 CA VAL A 29 4.126 9.135 2.199 1.00 16.75 C ANISOU 221 CA VAL A 29 1252 2297 2814 -158 -251 -6 C ATOM 222 C VAL A 29 4.757 9.214 3.572 1.00 16.78 C ANISOU 222 C VAL A 29 1691 1987 2696 -47 0 54 C ATOM 223 O VAL A 29 5.744 8.537 3.834 1.00 16.97 O ANISOU 223 O VAL A 29 1436 2159 2850 -125 -68 -47 O ATOM 224 CB VAL A 29 4.520 10.300 1.263 1.00 17.96 C ANISOU 224 CB VAL A 29 1100 3097 2627 -125 -274 239 C ATOM 225 CG1 VAL A 29 6.000 10.529 1.306 1.00 21.29 C ANISOU 225 CG1 VAL A 29 1482 3526 3081 -85 -186 130 C ATOM 226 CG2 VAL A 29 4.068 10.047 -0.136 1.00 21.08 C ANISOU 226 CG2 VAL A 29 1955 3112 2939 -21 -76 76 C ATOM 0 H VAL A 29 2.270 9.785 1.916 1.00 15.96 H new ATOM 0 HA VAL A 29 4.466 8.308 1.824 1.00 16.75 H new ATOM 0 HB VAL A 29 4.073 11.101 1.578 1.00 17.96 H new ATOM 0 HG11 VAL A 29 6.232 11.262 0.714 1.00 21.29 H new ATOM 0 HG12 VAL A 29 6.267 10.749 2.212 1.00 21.29 H new ATOM 0 HG13 VAL A 29 6.461 9.725 1.019 1.00 21.29 H new ATOM 0 HG21 VAL A 29 4.328 10.792 -0.700 1.00 21.08 H new ATOM 0 HG22 VAL A 29 4.479 9.233 -0.467 1.00 21.08 H new ATOM 0 HG23 VAL A 29 3.103 9.951 -0.152 1.00 21.08 H new ATOM 227 N GLN A 30 4.110 9.944 4.483 1.00 17.18 N ANISOU 227 N GLN A 30 1664 2077 2783 -336 41 -177 N ATOM 228 CA GLN A 30 4.572 9.993 5.877 1.00 18.59 C ANISOU 228 CA GLN A 30 2018 2239 2806 -235 -39 -183 C ATOM 229 C GLN A 30 4.545 8.657 6.579 1.00 17.48 C ANISOU 229 C GLN A 30 1955 2217 2467 -316 -222 -186 C ATOM 230 O GLN A 30 5.260 8.470 7.558 1.00 19.18 O ANISOU 230 O GLN A 30 2039 2332 2916 -393 -223 -107 O ATOM 231 CB GLN A 30 3.813 11.106 6.652 1.00 21.65 C ANISOU 231 CB GLN A 30 2506 2596 3123 -258 4 -444 C ATOM 232 CG GLN A 30 4.290 11.369 8.059 1.00 27.79 C ANISOU 232 CG GLN A 30 3446 3564 3547 -218 -156 -40 C ATOM 233 CD GLN A 30 5.786 11.719 8.083 1.00 29.42 C ANISOU 233 CD GLN A 30 3688 3677 3813 -398 -110 60 C ATOM 234 OE1 GLN A 30 6.332 12.350 7.162 1.00 33.58 O ANISOU 234 OE1 GLN A 30 4802 3805 4150 -197 60 -181 O ATOM 235 NE2 GLN A 30 6.452 11.298 9.120 1.00 31.91 N ANISOU 235 NE2 GLN A 30 3868 4387 3869 -136 -236 23 N ATOM 0 H GLN A 30 3.409 10.414 4.319 1.00 17.18 H new ATOM 0 HA GLN A 30 5.514 10.225 5.860 1.00 18.59 H new ATOM 0 HB2 GLN A 30 3.879 11.931 6.147 1.00 21.65 H new ATOM 0 HB3 GLN A 30 2.873 10.869 6.686 1.00 21.65 H new ATOM 0 HG2 GLN A 30 3.779 12.097 8.446 1.00 27.79 H new ATOM 0 HG3 GLN A 30 4.130 10.586 8.609 1.00 27.79 H new ATOM 0 HE21 GLN A 30 6.048 10.864 9.743 1.00 31.91 H new ATOM 0 HE22 GLN A 30 7.295 11.455 9.182 1.00 31.91 H new ATOM 236 N MET A 31 3.687 7.729 6.145 1.00 16.40 N ANISOU 236 N MET A 31 1512 1954 2764 -253 -17 -270 N ATOM 237 CA MET A 31 3.737 6.391 6.764 1.00 16.45 C ANISOU 237 CA MET A 31 1146 2312 2792 -407 -163 -137 C ATOM 238 C MET A 31 4.991 5.601 6.440 1.00 16.50 C ANISOU 238 C MET A 31 1580 2107 2581 -252 -69 -1 C ATOM 239 O MET A 31 5.274 4.627 7.125 1.00 17.32 O ANISOU 239 O MET A 31 1715 2448 2415 -218 -1 -10 O ATOM 240 CB MET A 31 2.570 5.577 6.296 1.00 16.91 C ANISOU 240 CB MET A 31 1486 2131 2807 -402 -207 -125 C ATOM 241 CG MET A 31 1.249 6.060 6.896 1.00 18.62 C ANISOU 241 CG MET A 31 985 2680 3408 -391 -352 -168 C ATOM 242 SD MET A 31 -0.127 4.931 6.783 1.00 20.46 S ANISOU 242 SD MET A 31 1731 2742 3299 -477 -30 19 S ATOM 243 CE MET A 31 0.399 3.729 8.026 1.00 20.35 C ANISOU 243 CE MET A 31 1386 2842 3504 -512 -369 35 C ATOM 0 H MET A 31 3.098 7.839 5.528 1.00 16.40 H new ATOM 0 HA MET A 31 3.723 6.550 7.721 1.00 16.45 H new ATOM 0 HB2 MET A 31 2.517 5.617 5.328 1.00 16.91 H new ATOM 0 HB3 MET A 31 2.710 4.647 6.534 1.00 16.91 H new ATOM 0 HG2 MET A 31 1.397 6.267 7.832 1.00 18.62 H new ATOM 0 HG3 MET A 31 1.000 6.889 6.458 1.00 18.62 H new ATOM 0 HE1 MET A 31 0.768 2.948 7.585 1.00 20.35 H new ATOM 0 HE2 MET A 31 1.075 4.128 8.596 1.00 20.35 H new ATOM 0 HE3 MET A 31 -0.364 3.465 8.564 1.00 20.35 H new ATOM 244 N TYR A 32 5.658 5.976 5.359 1.00 16.63 N ANISOU 244 N TYR A 32 1452 2215 2649 -354 -122 -217 N ATOM 245 CA TYR A 32 6.842 5.249 4.952 1.00 16.37 C ANISOU 245 CA TYR A 32 1360 2199 2658 -263 -151 -71 C ATOM 246 C TYR A 32 8.081 5.799 5.627 1.00 16.83 C ANISOU 246 C TYR A 32 1495 2104 2794 -359 -32 2 C ATOM 247 O TYR A 32 8.184 7.000 5.875 1.00 19.04 O ANISOU 247 O TYR A 32 1948 2194 3091 -397 -118 -51 O ATOM 248 CB TYR A 32 7.040 5.364 3.443 1.00 17.17 C ANISOU 248 CB TYR A 32 1599 2257 2667 -369 -168 18 C ATOM 249 CG TYR A 32 6.081 4.565 2.622 1.00 14.88 C ANISOU 249 CG TYR A 32 1013 2173 2468 -298 2 -102 C ATOM 250 CD1 TYR A 32 6.453 3.268 2.276 1.00 15.48 C ANISOU 250 CD1 TYR A 32 1320 2105 2457 -201 -144 -88 C ATOM 251 CD2 TYR A 32 4.837 5.026 2.244 1.00 15.93 C ANISOU 251 CD2 TYR A 32 507 2699 2847 -302 360 119 C ATOM 252 CE1 TYR A 32 5.638 2.449 1.582 1.00 15.33 C ANISOU 252 CE1 TYR A 32 773 2342 2710 -180 -1 -156 C ATOM 253 CE2 TYR A 32 3.973 4.177 1.522 1.00 17.66 C ANISOU 253 CE2 TYR A 32 1295 2340 3071 -256 214 133 C ATOM 254 CZ TYR A 32 4.411 2.913 1.169 1.00 16.72 C ANISOU 254 CZ TYR A 32 1008 2560 2782 -399 -255 149 C ATOM 255 OH TYR A 32 3.581 2.036 0.423 1.00 17.92 O ANISOU 255 OH TYR A 32 1267 2832 2708 -511 -329 -11 O ATOM 0 H TYR A 32 5.444 6.639 4.855 1.00 16.63 H new ATOM 0 HA TYR A 32 6.714 4.323 5.210 1.00 16.37 H new ATOM 0 HB2 TYR A 32 6.963 6.297 3.190 1.00 17.17 H new ATOM 0 HB3 TYR A 32 7.943 5.084 3.226 1.00 17.17 H new ATOM 0 HD1 TYR A 32 7.291 2.957 2.532 1.00 15.48 H new ATOM 0 HD2 TYR A 32 4.570 5.889 2.463 1.00 15.93 H new ATOM 0 HE1 TYR A 32 5.903 1.580 1.385 1.00 15.33 H new ATOM 0 HE2 TYR A 32 3.120 4.463 1.286 1.00 17.66 H new ATOM 0 HH TYR A 32 3.066 2.485 -0.065 1.00 17.92 H new ATOM 256 N ALA A 33 9.092 4.930 5.843 1.00 16.94 N ANISOU 256 N ALA A 33 1320 2218 2898 -404 -105 -42 N ATOM 257 CA ALA A 33 10.365 5.422 6.277 1.00 18.97 C ANISOU 257 CA ALA A 33 1698 2513 2994 -385 -244 155 C ATOM 258 C ALA A 33 10.903 6.292 5.165 1.00 19.01 C ANISOU 258 C ALA A 33 1811 2558 2851 -586 -299 90 C ATOM 259 O ALA A 33 10.567 6.133 4.000 1.00 18.20 O ANISOU 259 O ALA A 33 1396 2618 2901 -501 -44 70 O ATOM 260 CB ALA A 33 11.325 4.242 6.496 1.00 20.09 C ANISOU 260 CB ALA A 33 1630 2819 3184 -102 -411 225 C ATOM 0 H ALA A 33 9.041 4.078 5.741 1.00 16.94 H new ATOM 0 HA ALA A 33 10.280 5.918 7.107 1.00 18.97 H new ATOM 0 HB1 ALA A 33 12.187 4.576 6.790 1.00 20.09 H new ATOM 0 HB2 ALA A 33 10.961 3.649 7.172 1.00 20.09 H new ATOM 0 HB3 ALA A 33 11.434 3.755 5.664 1.00 20.09 H new ATOM 261 N ASP A 34 11.796 7.230 5.529 1.00 19.34 N ANISOU 261 N ASP A 34 1507 2700 3138 -657 -294 114 N ATOM 262 CA ASP A 34 12.299 8.187 4.525 1.00 19.79 C ANISOU 262 CA ASP A 34 1715 2632 3169 -742 -251 38 C ATOM 263 C ASP A 34 12.958 7.513 3.327 1.00 20.26 C ANISOU 263 C ASP A 34 1744 2676 3276 -579 -177 133 C ATOM 264 O ASP A 34 12.925 8.043 2.211 1.00 20.03 O ANISOU 264 O ASP A 34 1648 2712 3248 -663 -62 130 O ATOM 265 CB ASP A 34 13.271 9.217 5.162 1.00 22.26 C ANISOU 265 CB ASP A 34 1808 3122 3525 -702 -490 22 C ATOM 266 CG ASP A 34 14.466 8.581 5.738 1.00 23.89 C ANISOU 266 CG ASP A 34 2303 3272 3500 -514 -405 -29 C ATOM 267 OD1 ASP A 34 14.434 8.236 6.921 1.00 29.45 O ANISOU 267 OD1 ASP A 34 2890 4346 3951 -791 -321 191 O ATOM 268 OD2 ASP A 34 15.475 8.516 5.021 1.00 28.03 O ANISOU 268 OD2 ASP A 34 2664 4014 3968 -608 -64 -134 O ATOM 0 H ASP A 34 12.113 7.328 6.322 1.00 19.34 H new ATOM 0 HA ASP A 34 11.516 8.653 4.192 1.00 19.79 H new ATOM 0 HB2 ASP A 34 13.543 9.860 4.489 1.00 22.26 H new ATOM 0 HB3 ASP A 34 12.805 9.711 5.855 1.00 22.26 H new ATOM 269 N ASP A 35 13.563 6.331 3.578 1.00 18.39 N ANISOU 269 N ASP A 35 959 2708 3317 -548 -294 -13 N ATOM 270 CA ASP A 35 14.285 5.575 2.550 1.00 19.82 C ANISOU 270 CA ASP A 35 906 2911 3713 -311 73 -145 C ATOM 271 C ASP A 35 13.650 4.193 2.205 1.00 20.77 C ANISOU 271 C ASP A 35 1544 2953 3393 -213 112 -144 C ATOM 272 O ASP A 35 14.326 3.191 1.856 1.00 22.01 O ANISOU 272 O ASP A 35 1082 3240 4040 -382 223 -44 O ATOM 273 CB ASP A 35 15.726 5.329 3.037 1.00 22.81 C ANISOU 273 CB ASP A 35 1573 3373 3718 -129 107 150 C ATOM 274 CG ASP A 35 15.828 4.446 4.289 1.00 25.58 C ANISOU 274 CG ASP A 35 2207 3560 3953 18 79 -1 C ATOM 275 OD1 ASP A 35 14.806 4.294 4.963 1.00 23.88 O ANISOU 275 OD1 ASP A 35 952 3908 4210 -232 163 71 O ATOM 276 OD2 ASP A 35 16.878 3.883 4.560 1.00 27.25 O ANISOU 276 OD2 ASP A 35 1827 4129 4397 544 -289 208 O ATOM 0 H ASP A 35 13.561 5.953 4.351 1.00 18.39 H new ATOM 0 HA ASP A 35 14.249 6.112 1.743 1.00 19.82 H new ATOM 0 HB2 ASP A 35 16.232 4.915 2.320 1.00 22.81 H new ATOM 0 HB3 ASP A 35 16.144 6.184 3.222 1.00 22.81 H new ATOM 277 N ALA A 36 12.343 4.135 2.375 1.00 20.57 N ANISOU 277 N ALA A 36 1710 2824 3281 -558 -55 74 N ATOM 278 CA ALA A 36 11.578 2.898 2.194 1.00 16.05 C ANISOU 278 CA ALA A 36 632 2470 2997 -528 161 28 C ATOM 279 C ALA A 36 11.626 2.453 0.740 1.00 17.47 C ANISOU 279 C ALA A 36 1052 2617 2969 -268 4 72 C ATOM 280 O ALA A 36 11.914 3.209 -0.164 1.00 19.74 O ANISOU 280 O ALA A 36 1764 2670 3066 -499 60 32 O ATOM 281 CB ALA A 36 10.186 3.127 2.544 1.00 16.49 C ANISOU 281 CB ALA A 36 710 2612 2942 -406 230 19 C ATOM 0 H ALA A 36 11.864 4.812 2.600 1.00 20.57 H new ATOM 0 HA ALA A 36 11.967 2.216 2.763 1.00 16.05 H new ATOM 0 HB1 ALA A 36 9.683 2.307 2.423 1.00 16.49 H new ATOM 0 HB2 ALA A 36 10.127 3.409 3.470 1.00 16.49 H new ATOM 0 HB3 ALA A 36 9.818 3.819 1.972 1.00 16.49 H new ATOM 282 N THR A 37 11.362 1.163 0.541 1.00 18.76 N ANISOU 282 N THR A 37 1414 2605 3109 -462 145 -118 N ATOM 283 CA ATHR A 37 11.274 0.676 -0.827 0.50 20.75 C ANISOU 283 CA ATHR A 37 1988 2784 3111 -726 240 -79 C ATOM 284 CA BTHR A 37 11.370 0.568 -0.763 0.50 21.45 C ANISOU 284 CA BTHR A 37 2123 2866 3158 -686 210 -98 C ATOM 285 C THR A 37 9.918 0.094 -1.022 1.00 20.99 C ANISOU 285 C THR A 37 2140 2853 2980 -931 331 -89 C ATOM 286 O THR A 37 9.301 -0.487 -0.085 1.00 23.67 O ANISOU 286 O THR A 37 2928 3155 2910 -1140 308 -159 O ATOM 287 CB ATHR A 37 12.158 -0.469 -1.138 0.50 22.94 C ANISOU 287 CB ATHR A 37 2281 3100 3332 -493 136 -101 C ATOM 288 CB BTHR A 37 12.358 -0.605 -0.723 0.50 24.42 C ANISOU 288 CB BTHR A 37 2689 3148 3441 -488 273 0 C ATOM 289 OG1ATHR A 37 11.921 -1.509 -0.188 0.50 23.26 O ANISOU 289 OG1ATHR A 37 2211 2913 3713 -360 260 -115 O ATOM 290 OG1BTHR A 37 13.691 -0.086 -0.500 0.50 27.03 O ANISOU 290 OG1BTHR A 37 2525 3779 3966 -176 198 -267 O ATOM 291 CG2ATHR A 37 13.639 -0.008 -1.132 0.50 23.70 C ANISOU 291 CG2ATHR A 37 2019 3362 3623 -416 458 53 C ATOM 292 CG2BTHR A 37 12.371 -1.358 -2.020 0.50 27.14 C ANISOU 292 CG2BTHR A 37 3319 3328 3664 -328 -28 -133 C ATOM 0 H ATHR A 37 11.236 0.577 1.158 0.50 18.76 H new ATOM 0 H BTHR A 37 11.173 0.614 1.175 0.50 18.76 H new ATOM 0 HA ATHR A 37 11.507 1.440 -1.378 0.50 21.45 H new ATOM 0 HA BTHR A 37 11.645 1.172 -1.471 0.50 21.45 H new ATOM 0 HB ATHR A 37 11.965 -0.814 -2.024 0.50 24.42 H new ATOM 0 HB BTHR A 37 12.083 -1.204 -0.012 0.50 24.42 H new ATOM 0 HG1ATHR A 37 11.407 -2.083 -0.523 0.50 27.03 H new ATOM 0 HG1BTHR A 37 13.951 0.323 -1.186 0.50 27.03 H new ATOM 0 HG21ATHR A 37 14.214 -0.762 -1.336 0.50 27.14 H new ATOM 0 HG21BTHR A 37 13.004 -2.091 -1.963 0.50 27.14 H new ATOM 0 HG22ATHR A 37 13.765 0.684 -1.799 0.50 27.14 H new ATOM 0 HG22BTHR A 37 11.485 -1.710 -2.199 0.50 27.14 H new ATOM 0 HG23ATHR A 37 13.865 0.343 -0.256 0.50 27.14 H new ATOM 0 HG23BTHR A 37 12.633 -0.761 -2.738 0.50 27.14 H new ATOM 293 N VAL A 38 9.415 0.302 -2.243 1.00 21.52 N ANISOU 293 N VAL A 38 2527 2831 2818 -860 293 -315 N ATOM 294 CA VAL A 38 8.101 -0.219 -2.681 1.00 21.84 C ANISOU 294 CA VAL A 38 2623 2911 2763 -834 581 -384 C ATOM 295 C VAL A 38 8.293 -1.054 -3.924 1.00 21.83 C ANISOU 295 C VAL A 38 2586 2874 2832 -1015 571 -329 C ATOM 296 O VAL A 38 8.959 -0.643 -4.856 1.00 22.62 O ANISOU 296 O VAL A 38 2812 2900 2881 -813 888 -375 O ATOM 297 CB VAL A 38 7.176 0.926 -2.987 1.00 22.27 C ANISOU 297 CB VAL A 38 2690 2880 2891 -719 445 -396 C ATOM 298 CG1 VAL A 38 5.912 0.470 -3.692 1.00 25.53 C ANISOU 298 CG1 VAL A 38 3194 3460 3044 -369 -10 -480 C ATOM 299 CG2 VAL A 38 6.755 1.717 -1.694 1.00 24.20 C ANISOU 299 CG2 VAL A 38 2997 3145 3050 -798 870 -516 C ATOM 0 H VAL A 38 9.826 0.753 -2.849 1.00 21.52 H new ATOM 0 HA VAL A 38 7.715 -0.760 -1.975 1.00 21.84 H new ATOM 0 HB VAL A 38 7.683 1.510 -3.573 1.00 22.27 H new ATOM 0 HG11 VAL A 38 5.346 1.237 -3.870 1.00 25.53 H new ATOM 0 HG12 VAL A 38 6.146 0.040 -4.529 1.00 25.53 H new ATOM 0 HG13 VAL A 38 5.436 -0.159 -3.128 1.00 25.53 H new ATOM 0 HG21 VAL A 38 6.161 2.444 -1.938 1.00 24.20 H new ATOM 0 HG22 VAL A 38 6.299 1.118 -1.082 1.00 24.20 H new ATOM 0 HG23 VAL A 38 7.546 2.077 -1.263 1.00 24.20 H new ATOM 300 N GLU A 39 7.761 -2.263 -3.920 1.00 23.51 N ANISOU 300 N GLU A 39 3101 2929 2902 -920 786 -362 N ATOM 301 CA GLU A 39 7.716 -3.055 -5.123 1.00 26.77 C ANISOU 301 CA GLU A 39 3470 3434 3267 -519 654 -221 C ATOM 302 C GLU A 39 6.240 -3.216 -5.541 1.00 25.80 C ANISOU 302 C GLU A 39 3496 3258 3050 -638 440 -141 C ATOM 303 O GLU A 39 5.515 -3.897 -4.812 1.00 26.25 O ANISOU 303 O GLU A 39 3551 3545 2877 -818 711 -37 O ATOM 304 CB GLU A 39 8.340 -4.329 -4.688 1.00 27.35 C ANISOU 304 CB GLU A 39 3441 3686 3262 -456 742 -183 C ATOM 305 CG GLU A 39 9.835 -4.162 -4.670 1.00 33.29 C ANISOU 305 CG GLU A 39 3899 4333 4414 -146 275 -188 C ATOM 306 CD GLU A 39 10.497 -5.286 -4.013 1.00 41.08 C ANISOU 306 CD GLU A 39 5352 5174 5080 89 30 64 C ATOM 307 OE1 GLU A 39 10.448 -5.313 -2.770 1.00 40.79 O ANISOU 307 OE1 GLU A 39 4807 5588 5102 -203 323 -351 O ATOM 308 OE2 GLU A 39 11.031 -6.162 -4.750 1.00 43.51 O ANISOU 308 OE2 GLU A 39 5505 5587 5440 209 220 -246 O ATOM 0 H GLU A 39 7.420 -2.641 -3.227 1.00 23.51 H new ATOM 0 HA GLU A 39 8.171 -2.683 -5.895 1.00 26.77 H new ATOM 0 HB2 GLU A 39 8.020 -4.575 -3.806 1.00 27.35 H new ATOM 0 HB3 GLU A 39 8.090 -5.047 -5.291 1.00 27.35 H new ATOM 0 HG2 GLU A 39 10.163 -4.080 -5.579 1.00 33.29 H new ATOM 0 HG3 GLU A 39 10.063 -3.339 -4.211 1.00 33.29 H new ATOM 309 N ASN A 40 5.723 -2.555 -6.624 1.00 28.65 N ANISOU 309 N ASN A 40 3561 3687 3638 -495 419 -122 N ATOM 310 CA ASN A 40 4.227 -2.495 -6.897 1.00 29.46 C ANISOU 310 CA ASN A 40 3864 3697 3632 -170 251 -105 C ATOM 311 C ASN A 40 3.927 -2.365 -8.406 1.00 29.47 C ANISOU 311 C ASN A 40 3847 3741 3609 -114 321 -9 C ATOM 312 O ASN A 40 4.063 -1.259 -8.929 1.00 32.73 O ANISOU 312 O ASN A 40 4335 4013 4087 -5 291 73 O ATOM 313 CB ASN A 40 3.590 -1.313 -6.134 1.00 28.93 C ANISOU 313 CB ASN A 40 3716 3523 3752 -226 333 -129 C ATOM 314 CG ASN A 40 2.053 -1.262 -6.255 1.00 31.53 C ANISOU 314 CG ASN A 40 4115 3814 4047 -45 277 -251 C ATOM 315 OD1 ASN A 40 1.450 -1.915 -7.118 1.00 28.64 O ANISOU 315 OD1 ASN A 40 3689 3511 3679 -383 -268 -280 O ATOM 316 ND2 ASN A 40 1.405 -0.483 -5.362 1.00 31.43 N ANISOU 316 ND2 ASN A 40 4009 3410 4521 276 320 -556 N ATOM 0 H ASN A 40 6.204 -2.141 -7.205 1.00 28.65 H new ATOM 0 HA ASN A 40 3.840 -3.328 -6.585 1.00 29.46 H new ATOM 0 HB2 ASN A 40 3.832 -1.374 -5.197 1.00 28.93 H new ATOM 0 HB3 ASN A 40 3.962 -0.482 -6.470 1.00 28.93 H new ATOM 0 HD21 ASN A 40 0.547 -0.429 -5.381 1.00 31.43 H new ATOM 0 HD22 ASN A 40 1.850 -0.041 -4.774 1.00 31.43 H new ATOM 317 N PRO A 41 3.589 -3.478 -9.113 1.00 28.92 N ANISOU 317 N PRO A 41 3682 3804 3501 -163 256 -58 N ATOM 318 CA PRO A 41 3.361 -4.862 -8.564 1.00 27.69 C ANISOU 318 CA PRO A 41 3661 3591 3266 -139 193 -189 C ATOM 319 C PRO A 41 4.620 -5.608 -8.216 1.00 27.86 C ANISOU 319 C PRO A 41 3628 3710 3249 -248 229 -153 C ATOM 320 O PRO A 41 5.695 -5.329 -8.755 1.00 29.84 O ANISOU 320 O PRO A 41 3841 3887 3609 -142 391 -315 O ATOM 321 CB PRO A 41 2.646 -5.594 -9.673 1.00 28.45 C ANISOU 321 CB PRO A 41 3265 4088 3456 -108 302 -288 C ATOM 322 CG PRO A 41 3.102 -4.854 -10.977 1.00 31.21 C ANISOU 322 CG PRO A 41 4102 3996 3758 -235 256 -142 C ATOM 323 CD PRO A 41 3.423 -3.412 -10.574 1.00 30.11 C ANISOU 323 CD PRO A 41 3846 3837 3755 -75 289 -77 C ATOM 0 HA PRO A 41 2.867 -4.802 -7.731 1.00 27.69 H new ATOM 0 HB2 PRO A 41 2.891 -6.532 -9.694 1.00 28.45 H new ATOM 0 HB3 PRO A 41 1.683 -5.554 -9.561 1.00 28.45 H new ATOM 0 HG2 PRO A 41 3.880 -5.285 -11.364 1.00 31.21 H new ATOM 0 HG3 PRO A 41 2.402 -4.876 -11.649 1.00 31.21 H new ATOM 0 HD2 PRO A 41 4.229 -3.093 -11.009 1.00 30.11 H new ATOM 0 HD3 PRO A 41 2.708 -2.806 -10.823 1.00 30.11 H new ATOM 324 N PHE A 42 4.549 -6.477 -7.226 1.00 29.06 N ANISOU 324 N PHE A 42 3667 3809 3564 -200 82 12 N ATOM 325 CA PHE A 42 5.735 -7.275 -6.936 1.00 28.86 C ANISOU 325 CA PHE A 42 3532 3885 3546 -121 147 -27 C ATOM 326 C PHE A 42 6.174 -7.937 -8.246 1.00 31.16 C ANISOU 326 C PHE A 42 3823 4155 3861 -88 143 -126 C ATOM 327 O PHE A 42 5.339 -8.400 -9.007 1.00 28.58 O ANISOU 327 O PHE A 42 3017 4163 3677 -238 110 -144 O ATOM 328 CB PHE A 42 5.455 -8.327 -5.879 1.00 30.86 C ANISOU 328 CB PHE A 42 3781 4040 3903 18 202 122 C ATOM 329 CG PHE A 42 6.647 -9.088 -5.478 1.00 32.96 C ANISOU 329 CG PHE A 42 4120 4229 4174 2 -141 33 C ATOM 330 CD1 PHE A 42 7.645 -8.504 -4.685 1.00 35.23 C ANISOU 330 CD1 PHE A 42 4497 4510 4379 19 -235 96 C ATOM 331 CD2 PHE A 42 6.790 -10.405 -5.903 1.00 34.63 C ANISOU 331 CD2 PHE A 42 4475 4291 4390 158 -193 -70 C ATOM 332 CE1 PHE A 42 8.780 -9.253 -4.311 1.00 38.39 C ANISOU 332 CE1 PHE A 42 4817 4757 5010 445 36 -179 C ATOM 333 CE2 PHE A 42 7.902 -11.146 -5.549 1.00 37.82 C ANISOU 333 CE2 PHE A 42 4523 4676 5169 190 -113 -14 C ATOM 334 CZ PHE A 42 8.877 -10.590 -4.729 1.00 39.94 C ANISOU 334 CZ PHE A 42 5082 4812 5281 100 -181 -128 C ATOM 0 H PHE A 42 3.862 -6.621 -6.728 1.00 29.06 H new ATOM 0 HA PHE A 42 6.436 -6.705 -6.584 1.00 28.86 H new ATOM 0 HB2 PHE A 42 5.077 -7.896 -5.096 1.00 30.86 H new ATOM 0 HB3 PHE A 42 4.785 -8.943 -6.215 1.00 30.86 H new ATOM 0 HD1 PHE A 42 7.558 -7.621 -4.405 1.00 35.23 H new ATOM 0 HD2 PHE A 42 6.130 -10.791 -6.432 1.00 34.63 H new ATOM 0 HE1 PHE A 42 9.452 -8.868 -3.797 1.00 38.39 H new ATOM 0 HE2 PHE A 42 7.998 -12.017 -5.860 1.00 37.82 H new ATOM 0 HZ PHE A 42 9.599 -11.108 -4.455 1.00 39.94 H new ATOM 335 N GLY A 43 7.475 -7.920 -8.531 1.00 32.12 N ANISOU 335 N GLY A 43 3837 4232 4135 -104 72 -96 N ATOM 336 CA GLY A 43 7.987 -8.393 -9.797 1.00 34.33 C ANISOU 336 CA GLY A 43 4341 4447 4255 5 186 -56 C ATOM 337 C GLY A 43 8.575 -7.299 -10.668 1.00 36.12 C ANISOU 337 C GLY A 43 4591 4616 4517 8 201 -36 C ATOM 338 O GLY A 43 9.261 -7.574 -11.659 1.00 36.64 O ANISOU 338 O GLY A 43 4645 4708 4566 106 369 -146 O ATOM 0 H GLY A 43 8.079 -7.632 -7.991 1.00 32.12 H new ATOM 0 HA2 GLY A 43 8.668 -9.063 -9.631 1.00 34.33 H new ATOM 0 HA3 GLY A 43 7.271 -8.831 -10.283 1.00 34.33 H new ATOM 339 N GLN A 44 8.301 -6.054 -10.301 1.00 36.66 N ANISOU 339 N GLN A 44 4523 4751 4653 -12 204 -29 N ATOM 340 CA GLN A 44 8.805 -4.907 -11.013 1.00 37.62 C ANISOU 340 CA GLN A 44 4771 4761 4760 13 40 -1 C ATOM 341 C GLN A 44 9.903 -4.298 -10.132 1.00 36.81 C ANISOU 341 C GLN A 44 4652 4670 4662 -1 137 -59 C ATOM 342 O GLN A 44 9.937 -4.594 -8.945 1.00 37.51 O ANISOU 342 O GLN A 44 4766 4695 4789 -25 131 -74 O ATOM 343 CB GLN A 44 7.622 -3.974 -11.282 1.00 39.18 C ANISOU 343 CB GLN A 44 4847 5073 4964 87 71 -102 C ATOM 344 CG GLN A 44 6.708 -4.359 -12.511 1.00 43.01 C ANISOU 344 CG GLN A 44 5389 5629 5322 -189 -104 30 C ATOM 345 CD GLN A 44 6.799 -5.806 -13.021 1.00 46.98 C ANISOU 345 CD GLN A 44 5821 6094 5933 -77 81 -54 C ATOM 346 OE1 GLN A 44 5.829 -6.578 -12.918 1.00 49.37 O ANISOU 346 OE1 GLN A 44 6069 6485 6204 -251 194 100 O ATOM 347 NE2 GLN A 44 7.933 -6.159 -13.641 1.00 49.61 N ANISOU 347 NE2 GLN A 44 5919 6493 6437 -17 119 -55 N ATOM 0 H GLN A 44 7.811 -5.856 -9.623 1.00 36.66 H new ATOM 0 HA GLN A 44 9.198 -5.111 -11.876 1.00 37.62 H new ATOM 0 HB2 GLN A 44 7.068 -3.944 -10.486 1.00 39.18 H new ATOM 0 HB3 GLN A 44 7.965 -3.078 -11.424 1.00 39.18 H new ATOM 0 HG2 GLN A 44 5.786 -4.182 -12.268 1.00 43.01 H new ATOM 0 HG3 GLN A 44 6.926 -3.766 -13.247 1.00 43.01 H new ATOM 0 HE21 GLN A 44 8.585 -5.601 -13.695 1.00 49.61 H new ATOM 0 HE22 GLN A 44 8.009 -6.943 -13.985 1.00 49.61 H new ATOM 348 N PRO A 45 10.852 -3.533 -10.719 1.00 36.42 N ANISOU 348 N PRO A 45 4589 4643 4606 -165 135 -112 N ATOM 349 CA PRO A 45 11.986 -2.922 -9.992 1.00 36.47 C ANISOU 349 CA PRO A 45 4601 4664 4590 -54 122 -111 C ATOM 350 C PRO A 45 11.557 -2.020 -8.838 1.00 33.95 C ANISOU 350 C PRO A 45 4246 4265 4387 -19 159 -178 C ATOM 351 O PRO A 45 10.538 -1.360 -8.947 1.00 34.74 O ANISOU 351 O PRO A 45 4391 4383 4426 -26 64 -174 O ATOM 352 CB PRO A 45 12.702 -2.079 -11.062 1.00 36.59 C ANISOU 352 CB PRO A 45 4525 4739 4638 -156 172 -95 C ATOM 353 CG PRO A 45 12.199 -2.543 -12.370 1.00 37.74 C ANISOU 353 CG PRO A 45 4706 4821 4812 -161 141 -90 C ATOM 354 CD PRO A 45 10.917 -3.290 -12.183 1.00 36.94 C ANISOU 354 CD PRO A 45 4564 4828 4642 -204 161 -16 C ATOM 0 HA PRO A 45 12.537 -3.609 -9.585 1.00 36.47 H new ATOM 0 HB2 PRO A 45 12.518 -1.135 -10.937 1.00 36.59 H new ATOM 0 HB3 PRO A 45 13.664 -2.191 -11.003 1.00 36.59 H new ATOM 0 HG2 PRO A 45 12.059 -1.785 -12.959 1.00 37.74 H new ATOM 0 HG3 PRO A 45 12.857 -3.115 -12.795 1.00 37.74 H new ATOM 0 HD2 PRO A 45 10.156 -2.773 -12.491 1.00 36.94 H new ATOM 0 HD3 PRO A 45 10.915 -4.122 -12.682 1.00 36.94 H new ATOM 355 N PRO A 46 12.308 -2.013 -7.723 1.00 32.59 N ANISOU 355 N PRO A 46 3779 4129 4473 -91 283 -215 N ATOM 356 CA PRO A 46 11.725 -1.262 -6.584 1.00 29.41 C ANISOU 356 CA PRO A 46 3404 3634 4134 -213 372 -187 C ATOM 357 C PRO A 46 11.867 0.229 -6.742 1.00 27.16 C ANISOU 357 C PRO A 46 3051 3421 3848 -150 578 -60 C ATOM 358 O PRO A 46 12.784 0.739 -7.440 1.00 29.59 O ANISOU 358 O PRO A 46 3240 3596 4405 -567 775 25 O ATOM 359 CB PRO A 46 12.524 -1.728 -5.399 1.00 30.37 C ANISOU 359 CB PRO A 46 3624 3550 4364 -242 309 -158 C ATOM 360 CG PRO A 46 13.885 -2.049 -6.007 1.00 34.31 C ANISOU 360 CG PRO A 46 3919 4555 4562 -52 162 -116 C ATOM 361 CD PRO A 46 13.634 -2.565 -7.399 1.00 34.44 C ANISOU 361 CD PRO A 46 4139 4336 4609 61 234 -238 C ATOM 0 HA PRO A 46 10.772 -1.425 -6.505 1.00 29.41 H new ATOM 0 HB2 PRO A 46 12.588 -1.041 -4.717 1.00 30.37 H new ATOM 0 HB3 PRO A 46 12.125 -2.507 -4.981 1.00 30.37 H new ATOM 0 HG2 PRO A 46 14.446 -1.258 -6.030 1.00 34.31 H new ATOM 0 HG3 PRO A 46 14.351 -2.712 -5.474 1.00 34.31 H new ATOM 0 HD2 PRO A 46 14.312 -2.261 -8.023 1.00 34.44 H new ATOM 0 HD3 PRO A 46 13.636 -3.535 -7.428 1.00 34.44 H new ATOM 362 N ILE A 47 10.971 0.952 -6.127 1.00 23.46 N ANISOU 362 N ILE A 47 2803 2757 3352 -148 617 -182 N ATOM 363 CA ILE A 47 11.213 2.346 -5.985 1.00 24.42 C ANISOU 363 CA ILE A 47 2751 3094 3430 -340 441 -114 C ATOM 364 C ILE A 47 11.724 2.656 -4.602 1.00 22.34 C ANISOU 364 C ILE A 47 2092 3082 3313 -379 541 -72 C ATOM 365 O ILE A 47 11.516 1.884 -3.654 1.00 24.85 O ANISOU 365 O ILE A 47 2383 3274 3784 -812 451 -45 O ATOM 366 CB ILE A 47 10.042 3.140 -6.397 1.00 25.78 C ANISOU 366 CB ILE A 47 3263 3211 3319 -42 261 -297 C ATOM 367 CG1 ILE A 47 8.928 2.861 -5.490 1.00 24.78 C ANISOU 367 CG1 ILE A 47 2533 3359 3523 -342 39 -59 C ATOM 368 CG2 ILE A 47 9.695 2.888 -7.872 1.00 29.62 C ANISOU 368 CG2 ILE A 47 3926 3749 3576 -129 -172 -240 C ATOM 369 CD1 ILE A 47 7.651 3.808 -5.673 1.00 29.01 C ANISOU 369 CD1 ILE A 47 3278 3866 3876 145 202 -91 C ATOM 0 H ILE A 47 10.234 0.661 -5.793 1.00 23.46 H new ATOM 0 HA ILE A 47 11.920 2.612 -6.593 1.00 24.42 H new ATOM 0 HB ILE A 47 10.246 4.086 -6.333 1.00 25.78 H new ATOM 0 HG12 ILE A 47 8.651 1.940 -5.614 1.00 24.78 H new ATOM 0 HG13 ILE A 47 9.245 2.941 -4.577 1.00 24.78 H new ATOM 0 HG21 ILE A 47 8.923 3.421 -8.119 1.00 29.62 H new ATOM 0 HG22 ILE A 47 10.449 3.136 -8.429 1.00 29.62 H new ATOM 0 HG23 ILE A 47 9.493 1.948 -8.001 1.00 29.62 H new ATOM 0 HD11 ILE A 47 6.965 3.554 -5.035 1.00 29.01 H new ATOM 0 HD12 ILE A 47 7.908 4.731 -5.521 1.00 29.01 H new ATOM 0 HD13 ILE A 47 7.305 3.714 -6.574 1.00 29.01 H new ATOM 370 N HIS A 48 12.502 3.745 -4.490 1.00 21.80 N ANISOU 370 N HIS A 48 2063 2846 3371 -307 678 -156 N ATOM 371 CA AHIS A 48 13.201 4.002 -3.275 0.40 21.94 C ANISOU 371 CA AHIS A 48 1988 2962 3384 -237 548 -82 C ATOM 372 CA BHIS A 48 13.232 4.037 -3.289 0.60 20.77 C ANISOU 372 CA BHIS A 48 1581 2911 3398 -257 636 -76 C ATOM 373 C HIS A 48 13.019 5.439 -2.826 1.00 21.52 C ANISOU 373 C HIS A 48 2036 2851 3286 -330 448 -90 C ATOM 374 O HIS A 48 13.269 6.398 -3.587 1.00 22.10 O ANISOU 374 O HIS A 48 2082 3025 3289 -291 851 59 O ATOM 375 CB AHIS A 48 14.707 3.715 -3.453 0.40 23.17 C ANISOU 375 CB AHIS A 48 2092 3145 3565 -140 481 -165 C ATOM 376 CB BHIS A 48 14.736 3.975 -3.637 0.60 21.02 C ANISOU 376 CB BHIS A 48 1244 3147 3593 -281 671 -195 C ATOM 377 CG AHIS A 48 15.438 3.703 -2.162 0.40 28.34 C ANISOU 377 CG AHIS A 48 2997 3824 3945 -112 206 -41 C ATOM 378 CG BHIS A 48 15.213 2.586 -3.856 0.60 22.59 C ANISOU 378 CG BHIS A 48 1289 3297 3997 -293 511 86 C ATOM 379 ND1AHIS A 48 15.511 2.585 -1.367 0.40 31.25 N ANISOU 379 ND1AHIS A 48 3502 4185 4185 97 -60 68 N ATOM 380 ND1BHIS A 48 15.656 1.801 -2.825 0.60 26.84 N ANISOU 380 ND1BHIS A 48 2221 3773 4204 -298 229 170 N ATOM 381 CD2AHIS A 48 16.072 4.692 -1.488 0.40 30.46 C ANISOU 381 CD2AHIS A 48 3290 4159 4124 25 89 -183 C ATOM 382 CD2BHIS A 48 15.219 1.814 -4.961 0.60 26.41 C ANISOU 382 CD2BHIS A 48 1955 3731 4346 -249 198 13 C ATOM 383 CE1AHIS A 48 16.178 2.880 -0.264 0.40 30.18 C ANISOU 383 CE1AHIS A 48 3045 4206 4216 -35 -80 -89 C ATOM 384 CE1BHIS A 48 15.979 0.609 -3.296 0.60 30.16 C ANISOU 384 CE1BHIS A 48 3043 4079 4337 81 262 -67 C ATOM 385 NE2AHIS A 48 16.499 4.158 -0.302 0.40 30.06 N ANISOU 385 NE2AHIS A 48 2839 4210 4371 322 -108 -72 N ATOM 386 NE2BHIS A 48 15.716 0.587 -4.589 0.60 26.96 N ANISOU 386 NE2BHIS A 48 2020 3807 4414 242 101 -5 N ATOM 0 H AHIS A 48 12.623 4.327 -5.111 0.40 21.80 H new ATOM 0 H BHIS A 48 12.609 4.323 -5.118 0.60 21.80 H new ATOM 0 HA AHIS A 48 12.832 3.415 -2.597 0.40 20.77 H new ATOM 0 HA BHIS A 48 12.941 3.408 -2.610 0.60 20.77 H new ATOM 0 HB2AHIS A 48 14.820 2.858 -3.894 0.40 21.02 H new ATOM 0 HB2BHIS A 48 14.902 4.500 -4.435 0.60 21.02 H new ATOM 0 HB3AHIS A 48 15.095 4.387 -4.035 0.40 21.02 H new ATOM 0 HB3BHIS A 48 15.248 4.380 -2.919 0.60 21.02 H new ATOM 0 HD1BHIS A 48 15.715 2.045 -2.002 0.60 26.84 H new ATOM 0 HD2AHIS A 48 16.194 5.568 -1.776 0.40 26.41 H new ATOM 0 HD2BHIS A 48 14.940 2.064 -5.812 0.60 26.41 H new ATOM 0 HE1AHIS A 48 16.385 2.287 0.422 0.40 30.16 H new ATOM 0 HE1BHIS A 48 16.332 -0.095 -2.800 0.60 30.16 H new ATOM 0 HE2AHIS A 48 16.911 4.588 0.319 0.40 26.96 H new ATOM 387 N GLY A 49 12.635 5.561 -1.576 1.00 20.28 N ANISOU 387 N GLY A 49 2039 2590 3075 -370 476 -46 N ATOM 388 CA GLY A 49 12.599 6.856 -0.928 1.00 20.30 C ANISOU 388 CA GLY A 49 2076 2436 3198 -112 136 127 C ATOM 389 C GLY A 49 11.306 7.587 -1.071 1.00 18.83 C ANISOU 389 C GLY A 49 1745 2586 2823 -280 131 203 C ATOM 390 O GLY A 49 10.534 7.403 -2.048 1.00 18.66 O ANISOU 390 O GLY A 49 1537 2579 2974 -323 119 0 O ATOM 0 H GLY A 49 12.389 4.904 -1.079 1.00 20.28 H new ATOM 0 HA2 GLY A 49 12.787 6.737 0.016 1.00 20.30 H new ATOM 0 HA3 GLY A 49 13.310 7.406 -1.292 1.00 20.30 H new ATOM 391 N ARG A 50 11.070 8.475 -0.125 1.00 17.92 N ANISOU 391 N ARG A 50 1501 2441 2866 -288 97 -46 N ATOM 392 CA ARG A 50 9.757 9.174 -0.100 1.00 17.35 C ANISOU 392 CA ARG A 50 1442 2511 2638 -148 5 -45 C ATOM 393 C ARG A 50 9.461 9.967 -1.337 1.00 15.16 C ANISOU 393 C ARG A 50 515 2382 2861 -336 0 0 C ATOM 394 O ARG A 50 8.282 10.092 -1.681 1.00 17.75 O ANISOU 394 O ARG A 50 1172 2624 2946 -201 -173 -215 O ATOM 395 CB ARG A 50 9.659 10.019 1.184 1.00 17.73 C ANISOU 395 CB ARG A 50 1465 2337 2933 -142 -129 -75 C ATOM 396 CG ARG A 50 9.307 9.199 2.394 1.00 18.88 C ANISOU 396 CG ARG A 50 1850 2583 2739 -124 -175 -114 C ATOM 397 CD ARG A 50 9.138 10.189 3.537 1.00 21.81 C ANISOU 397 CD ARG A 50 2776 2749 2761 -81 -11 -212 C ATOM 398 NE ARG A 50 8.868 9.533 4.798 1.00 20.01 N ANISOU 398 NE ARG A 50 2263 2635 2705 -412 -13 -292 N ATOM 399 CZ ARG A 50 9.084 10.075 5.991 1.00 24.40 C ANISOU 399 CZ ARG A 50 3700 2716 2853 -475 39 -357 C ATOM 400 NH1 ARG A 50 9.556 11.314 6.108 1.00 28.82 N ANISOU 400 NH1 ARG A 50 4403 2853 3694 -1049 27 -207 N ATOM 401 NH2 ARG A 50 8.802 9.410 7.062 1.00 27.01 N ANISOU 401 NH2 ARG A 50 4146 2964 3150 -755 77 -148 N ATOM 0 H ARG A 50 11.620 8.695 0.498 1.00 17.92 H new ATOM 0 HA ARG A 50 9.064 8.496 -0.091 1.00 17.35 H new ATOM 0 HB2 ARG A 50 10.506 10.467 1.337 1.00 17.73 H new ATOM 0 HB3 ARG A 50 8.990 10.711 1.061 1.00 17.73 H new ATOM 0 HG2 ARG A 50 8.491 8.696 2.247 1.00 18.88 H new ATOM 0 HG3 ARG A 50 10.005 8.555 2.592 1.00 18.88 H new ATOM 0 HD2 ARG A 50 9.942 10.725 3.619 1.00 21.81 H new ATOM 0 HD3 ARG A 50 8.412 10.798 3.330 1.00 21.81 H new ATOM 0 HE ARG A 50 8.545 8.736 4.773 1.00 20.01 H new ATOM 0 HH11 ARG A 50 9.726 11.778 5.404 1.00 28.82 H new ATOM 0 HH12 ARG A 50 9.691 11.651 6.888 1.00 28.82 H new ATOM 0 HH21 ARG A 50 8.475 8.617 7.002 1.00 27.01 H new ATOM 0 HH22 ARG A 50 8.942 9.760 7.835 1.00 27.01 H new ATOM 402 N GLU A 51 10.489 10.565 -1.987 1.00 18.32 N ANISOU 402 N GLU A 51 1588 2603 2769 -459 110 -30 N ATOM 403 CA GLU A 51 10.172 11.396 -3.193 1.00 19.14 C ANISOU 403 CA GLU A 51 1834 2632 2805 -793 31 54 C ATOM 404 C GLU A 51 9.600 10.496 -4.320 1.00 19.04 C ANISOU 404 C GLU A 51 1642 2860 2731 -574 -29 120 C ATOM 405 O GLU A 51 8.544 10.768 -4.902 1.00 19.12 O ANISOU 405 O GLU A 51 1530 2868 2867 -413 -290 -103 O ATOM 406 CB GLU A 51 11.398 12.186 -3.687 1.00 22.30 C ANISOU 406 CB GLU A 51 2363 2956 3151 -708 27 209 C ATOM 407 CG GLU A 51 11.069 12.955 -5.018 1.00 24.00 C ANISOU 407 CG GLU A 51 2753 3015 3350 -901 -58 293 C ATOM 408 CD GLU A 51 12.315 13.275 -5.923 1.00 28.97 C ANISOU 408 CD GLU A 51 3455 3674 3875 -623 90 493 C ATOM 409 OE1 GLU A 51 13.443 12.919 -5.581 1.00 32.59 O ANISOU 409 OE1 GLU A 51 3623 4098 4658 -458 304 327 O ATOM 410 OE2 GLU A 51 12.139 13.827 -7.035 1.00 37.07 O ANISOU 410 OE2 GLU A 51 4784 4732 4567 -285 -52 580 O ATOM 0 H GLU A 51 11.320 10.513 -1.771 1.00 18.32 H new ATOM 0 HA GLU A 51 9.501 12.049 -2.939 1.00 19.14 H new ATOM 0 HB2 GLU A 51 11.678 12.817 -3.005 1.00 22.30 H new ATOM 0 HB3 GLU A 51 12.141 11.580 -3.834 1.00 22.30 H new ATOM 0 HG2 GLU A 51 10.438 12.428 -5.533 1.00 24.00 H new ATOM 0 HG3 GLU A 51 10.626 13.788 -4.794 1.00 24.00 H new ATOM 411 N GLN A 52 10.231 9.380 -4.559 1.00 19.58 N ANISOU 411 N GLN A 52 1942 2755 2741 -703 321 -203 N ATOM 412 CA GLN A 52 9.741 8.476 -5.608 1.00 19.75 C ANISOU 412 CA GLN A 52 1916 2921 2664 -455 483 -204 C ATOM 413 C GLN A 52 8.424 7.816 -5.191 1.00 17.85 C ANISOU 413 C GLN A 52 1376 2874 2529 -468 201 45 C ATOM 414 O GLN A 52 7.535 7.598 -6.067 1.00 19.50 O ANISOU 414 O GLN A 52 2196 2662 2548 -366 222 -189 O ATOM 415 CB GLN A 52 10.743 7.375 -5.931 1.00 21.16 C ANISOU 415 CB GLN A 52 1938 3101 3000 -393 334 -218 C ATOM 416 CG GLN A 52 12.139 7.828 -6.433 1.00 24.86 C ANISOU 416 CG GLN A 52 1692 4101 3653 -227 450 -161 C ATOM 417 CD GLN A 52 13.136 6.673 -6.707 1.00 28.08 C ANISOU 417 CD GLN A 52 2845 3846 3977 -133 560 -171 C ATOM 418 OE1 GLN A 52 12.774 5.496 -6.942 1.00 29.71 O ANISOU 418 OE1 GLN A 52 3222 3758 4308 -709 709 -56 O ATOM 419 NE2 GLN A 52 14.424 7.030 -6.760 1.00 35.56 N ANISOU 419 NE2 GLN A 52 3661 4794 5054 -517 274 22 N ATOM 0 H GLN A 52 10.935 9.114 -4.143 1.00 19.58 H new ATOM 0 HA GLN A 52 9.607 9.024 -6.397 1.00 19.75 H new ATOM 0 HB2 GLN A 52 10.868 6.836 -5.134 1.00 21.16 H new ATOM 0 HB3 GLN A 52 10.352 6.798 -6.605 1.00 21.16 H new ATOM 0 HG2 GLN A 52 12.025 8.341 -7.249 1.00 24.86 H new ATOM 0 HG3 GLN A 52 12.528 8.425 -5.775 1.00 24.86 H new ATOM 0 HE21 GLN A 52 14.652 7.843 -6.595 1.00 35.56 H new ATOM 0 HE22 GLN A 52 15.024 6.447 -6.959 1.00 35.56 H new ATOM 420 N ILE A 53 8.301 7.492 -3.915 1.00 17.74 N ANISOU 420 N ILE A 53 1701 2512 2527 -419 262 17 N ATOM 421 CA ILE A 53 7.027 6.934 -3.442 1.00 17.85 C ANISOU 421 CA ILE A 53 1930 2353 2497 -441 76 -33 C ATOM 422 C ILE A 53 5.907 7.965 -3.618 1.00 18.51 C ANISOU 422 C ILE A 53 1975 2520 2536 -588 -117 -20 C ATOM 423 O ILE A 53 4.828 7.578 -4.060 1.00 18.54 O ANISOU 423 O ILE A 53 1583 2603 2857 -447 -163 -71 O ATOM 424 CB ILE A 53 7.194 6.445 -1.976 1.00 17.60 C ANISOU 424 CB ILE A 53 1634 2337 2714 -294 186 105 C ATOM 425 CG1 ILE A 53 8.219 5.272 -1.940 1.00 19.32 C ANISOU 425 CG1 ILE A 53 1877 2657 2805 -106 312 2 C ATOM 426 CG2 ILE A 53 5.841 6.061 -1.429 1.00 17.88 C ANISOU 426 CG2 ILE A 53 1128 2769 2896 -395 304 313 C ATOM 427 CD1 ILE A 53 8.654 4.901 -0.568 1.00 18.59 C ANISOU 427 CD1 ILE A 53 1343 2788 2929 -358 152 70 C ATOM 0 H ILE A 53 8.914 7.580 -3.318 1.00 17.74 H new ATOM 0 HA ILE A 53 6.772 6.162 -3.971 1.00 17.85 H new ATOM 0 HB ILE A 53 7.546 7.149 -1.409 1.00 17.60 H new ATOM 0 HG12 ILE A 53 7.825 4.495 -2.367 1.00 19.32 H new ATOM 0 HG13 ILE A 53 8.998 5.518 -2.462 1.00 19.32 H new ATOM 0 HG21 ILE A 53 5.937 5.754 -0.514 1.00 17.88 H new ATOM 0 HG22 ILE A 53 5.252 6.831 -1.452 1.00 17.88 H new ATOM 0 HG23 ILE A 53 5.463 5.350 -1.970 1.00 17.88 H new ATOM 0 HD11 ILE A 53 9.288 4.169 -0.616 1.00 18.59 H new ATOM 0 HD12 ILE A 53 9.075 5.665 -0.144 1.00 18.59 H new ATOM 0 HD13 ILE A 53 7.883 4.627 -0.047 1.00 18.59 H new ATOM 428 N ALA A 54 6.108 9.256 -3.252 1.00 18.66 N ANISOU 428 N ALA A 54 2108 2313 2668 -447 0 1 N ATOM 429 CA ALA A 54 5.110 10.279 -3.496 1.00 20.02 C ANISOU 429 CA ALA A 54 2462 2466 2677 -320 -180 30 C ATOM 430 C ALA A 54 4.692 10.344 -4.950 1.00 19.78 C ANISOU 430 C ALA A 54 2281 2608 2625 -230 -89 87 C ATOM 431 O ALA A 54 3.518 10.486 -5.262 1.00 20.57 O ANISOU 431 O ALA A 54 2197 2686 2931 -197 -336 74 O ATOM 432 CB ALA A 54 5.653 11.632 -3.063 1.00 20.66 C ANISOU 432 CB ALA A 54 2309 2551 2989 -276 -28 44 C ATOM 0 H ALA A 54 6.821 9.540 -2.863 1.00 18.66 H new ATOM 0 HA ALA A 54 4.324 10.047 -2.978 1.00 20.02 H new ATOM 0 HB1 ALA A 54 4.985 12.316 -3.226 1.00 20.66 H new ATOM 0 HB2 ALA A 54 5.866 11.608 -2.117 1.00 20.66 H new ATOM 0 HB3 ALA A 54 6.455 11.836 -3.569 1.00 20.66 H new ATOM 433 N ALA A 55 5.684 10.285 -5.831 1.00 20.81 N ANISOU 433 N ALA A 55 2422 2799 2685 -374 -72 -37 N ATOM 434 CA ALA A 55 5.436 10.383 -7.262 1.00 20.23 C ANISOU 434 CA ALA A 55 2243 2922 2520 -414 140 129 C ATOM 435 C ALA A 55 4.571 9.210 -7.690 1.00 22.88 C ANISOU 435 C ALA A 55 2853 3097 2742 -239 -124 84 C ATOM 436 O ALA A 55 3.622 9.373 -8.484 1.00 23.95 O ANISOU 436 O ALA A 55 2717 3363 3017 -163 -86 166 O ATOM 437 CB ALA A 55 6.718 10.469 -8.034 1.00 21.40 C ANISOU 437 CB ALA A 55 2052 3249 2830 -269 133 115 C ATOM 0 H ALA A 55 6.512 10.188 -5.618 1.00 20.81 H new ATOM 0 HA ALA A 55 4.957 11.204 -7.457 1.00 20.23 H new ATOM 0 HB1 ALA A 55 6.522 10.533 -8.982 1.00 21.40 H new ATOM 0 HB2 ALA A 55 7.213 11.254 -7.753 1.00 21.40 H new ATOM 0 HB3 ALA A 55 7.250 9.675 -7.868 1.00 21.40 H new ATOM 438 N PHE A 56 4.902 8.038 -7.188 1.00 21.84 N ANISOU 438 N PHE A 56 2753 2818 2725 -311 45 -47 N ATOM 439 CA PHE A 56 4.096 6.847 -7.438 1.00 23.10 C ANISOU 439 CA PHE A 56 2863 2934 2979 -219 -13 -67 C ATOM 440 C PHE A 56 2.635 7.015 -7.044 1.00 21.91 C ANISOU 440 C PHE A 56 2477 3080 2767 -247 -188 -91 C ATOM 441 O PHE A 56 1.712 6.753 -7.855 1.00 22.18 O ANISOU 441 O PHE A 56 2605 3367 2454 -280 -367 -104 O ATOM 442 CB PHE A 56 4.778 5.664 -6.767 1.00 21.98 C ANISOU 442 CB PHE A 56 2425 2679 3246 -207 -300 -251 C ATOM 443 CG PHE A 56 3.992 4.407 -6.829 1.00 25.17 C ANISOU 443 CG PHE A 56 3083 2779 3702 -47 -261 -190 C ATOM 444 CD1 PHE A 56 4.046 3.631 -7.938 1.00 27.99 C ANISOU 444 CD1 PHE A 56 3525 3292 3818 -66 -120 -242 C ATOM 445 CD2 PHE A 56 3.210 4.012 -5.748 1.00 28.11 C ANISOU 445 CD2 PHE A 56 3149 3001 4531 -312 93 -13 C ATOM 446 CE1 PHE A 56 3.283 2.452 -8.024 1.00 32.53 C ANISOU 446 CE1 PHE A 56 4474 3377 4507 -423 18 -196 C ATOM 447 CE2 PHE A 56 2.431 2.818 -5.830 1.00 31.10 C ANISOU 447 CE2 PHE A 56 3647 3486 4682 -174 68 -158 C ATOM 448 CZ PHE A 56 2.502 2.065 -6.973 1.00 31.25 C ANISOU 448 CZ PHE A 56 3877 3408 4586 -485 -63 -301 C ATOM 0 H PHE A 56 5.594 7.903 -6.695 1.00 21.84 H new ATOM 0 HA PHE A 56 4.051 6.684 -8.393 1.00 23.10 H new ATOM 0 HB2 PHE A 56 5.640 5.518 -7.187 1.00 21.98 H new ATOM 0 HB3 PHE A 56 4.948 5.884 -5.838 1.00 21.98 H new ATOM 0 HD1 PHE A 56 4.592 3.880 -8.649 1.00 27.99 H new ATOM 0 HD2 PHE A 56 3.195 4.525 -4.973 1.00 28.11 H new ATOM 0 HE1 PHE A 56 3.311 1.936 -8.797 1.00 32.53 H new ATOM 0 HE2 PHE A 56 1.887 2.557 -5.123 1.00 31.10 H new ATOM 0 HZ PHE A 56 2.010 1.278 -7.034 1.00 31.25 H new ATOM 449 N TYR A 57 2.392 7.446 -5.809 1.00 19.19 N ANISOU 449 N TYR A 57 2069 2636 2585 -179 -293 -168 N ATOM 450 CA TYR A 57 1.011 7.628 -5.358 1.00 20.06 C ANISOU 450 CA TYR A 57 1948 2823 2850 63 -126 32 C ATOM 451 C TYR A 57 0.363 8.764 -6.091 1.00 21.95 C ANISOU 451 C TYR A 57 2205 3130 3003 -112 -235 239 C ATOM 452 O TYR A 57 -0.822 8.673 -6.347 1.00 24.01 O ANISOU 452 O TYR A 57 2170 3331 3621 42 -488 222 O ATOM 453 CB TYR A 57 1.008 7.821 -3.824 1.00 19.46 C ANISOU 453 CB TYR A 57 1714 2830 2849 110 96 25 C ATOM 454 CG TYR A 57 1.188 6.489 -3.135 1.00 18.61 C ANISOU 454 CG TYR A 57 1418 2689 2963 -74 -121 19 C ATOM 455 CD1 TYR A 57 0.133 5.549 -3.078 1.00 20.23 C ANISOU 455 CD1 TYR A 57 1603 2783 3300 59 59 23 C ATOM 456 CD2 TYR A 57 2.401 6.171 -2.530 1.00 19.23 C ANISOU 456 CD2 TYR A 57 1309 3026 2969 -187 -132 59 C ATOM 457 CE1 TYR A 57 0.296 4.370 -2.432 1.00 19.71 C ANISOU 457 CE1 TYR A 57 1709 2775 3003 223 239 -234 C ATOM 458 CE2 TYR A 57 2.582 4.931 -1.941 1.00 19.32 C ANISOU 458 CE2 TYR A 57 1543 2936 2859 -230 -39 316 C ATOM 459 CZ TYR A 57 1.513 4.050 -1.880 1.00 17.72 C ANISOU 459 CZ TYR A 57 1636 2484 2614 -9 167 0 C ATOM 460 OH TYR A 57 1.703 2.823 -1.309 1.00 18.19 O ANISOU 460 OH TYR A 57 1321 2645 2943 33 283 80 O ATOM 0 H TYR A 57 2.996 7.635 -5.227 1.00 19.19 H new ATOM 0 HA TYR A 57 0.482 6.840 -5.561 1.00 20.06 H new ATOM 0 HB2 TYR A 57 1.720 8.426 -3.565 1.00 19.46 H new ATOM 0 HB3 TYR A 57 0.174 8.229 -3.543 1.00 19.46 H new ATOM 0 HD1 TYR A 57 -0.679 5.742 -3.487 1.00 20.23 H new ATOM 0 HD2 TYR A 57 3.092 6.793 -2.521 1.00 19.23 H new ATOM 0 HE1 TYR A 57 -0.416 3.776 -2.362 1.00 19.71 H new ATOM 0 HE2 TYR A 57 3.410 4.692 -1.591 1.00 19.32 H new ATOM 0 HH TYR A 57 1.056 2.646 -0.803 1.00 18.19 H new ATOM 461 N ARG A 58 1.083 9.832 -6.409 1.00 23.97 N ANISOU 461 N ARG A 58 3001 2947 3160 94 -179 402 N ATOM 462 CA ARG A 58 0.427 10.956 -7.109 1.00 25.83 C ANISOU 462 CA ARG A 58 3146 3327 3338 90 -470 398 C ATOM 463 C ARG A 58 -0.100 10.500 -8.457 1.00 27.05 C ANISOU 463 C ARG A 58 3222 3555 3500 -15 -497 387 C ATOM 464 O ARG A 58 -1.193 10.949 -8.910 1.00 29.29 O ANISOU 464 O ARG A 58 3291 3968 3869 -73 -601 556 O ATOM 465 CB ARG A 58 1.420 12.105 -7.274 1.00 28.03 C ANISOU 465 CB ARG A 58 3591 3392 3667 96 -392 429 C ATOM 466 CG ARG A 58 0.828 13.472 -7.394 1.00 34.10 C ANISOU 466 CG ARG A 58 4403 4159 4394 39 -168 264 C ATOM 467 CD ARG A 58 1.909 14.533 -7.190 1.00 38.80 C ANISOU 467 CD ARG A 58 5125 4422 5192 -85 -14 141 C ATOM 468 NE ARG A 58 2.543 14.648 -5.877 1.00 44.18 N ANISOU 468 NE ARG A 58 5779 5341 5666 -83 -26 251 N ATOM 469 CZ ARG A 58 3.860 14.538 -5.677 1.00 46.91 C ANISOU 469 CZ ARG A 58 5986 5799 6040 15 19 145 C ATOM 470 NH1 ARG A 58 4.366 14.703 -4.463 1.00 46.78 N ANISOU 470 NH1 ARG A 58 6249 5744 5781 41 96 196 N ATOM 471 NH2 ARG A 58 4.686 14.282 -6.696 1.00 48.62 N ANISOU 471 NH2 ARG A 58 6569 5943 5958 -23 76 77 N ATOM 0 H ARG A 58 1.920 9.935 -6.241 1.00 23.97 H new ATOM 0 HA ARG A 58 -0.326 11.267 -6.582 1.00 25.83 H new ATOM 0 HB2 ARG A 58 2.023 12.099 -6.514 1.00 28.03 H new ATOM 0 HB3 ARG A 58 1.957 11.934 -8.064 1.00 28.03 H new ATOM 0 HG2 ARG A 58 0.420 13.580 -8.267 1.00 34.10 H new ATOM 0 HG3 ARG A 58 0.124 13.586 -6.736 1.00 34.10 H new ATOM 0 HD2 ARG A 58 2.609 14.368 -7.841 1.00 38.80 H new ATOM 0 HD3 ARG A 58 1.519 15.395 -7.405 1.00 38.80 H new ATOM 0 HE ARG A 58 2.040 14.795 -5.195 1.00 44.18 H new ATOM 0 HH11 ARG A 58 3.847 14.881 -3.801 1.00 46.78 H new ATOM 0 HH12 ARG A 58 5.214 14.632 -4.337 1.00 46.78 H new ATOM 0 HH21 ARG A 58 4.372 14.186 -7.491 1.00 48.62 H new ATOM 0 HH22 ARG A 58 5.532 14.213 -6.557 1.00 48.62 H new ATOM 472 N GLN A 59 0.654 9.637 -9.113 1.00 28.45 N ANISOU 472 N GLN A 59 3323 4018 3468 -133 -520 295 N ATOM 473 CA GLN A 59 0.323 9.124 -10.450 1.00 32.19 C ANISOU 473 CA GLN A 59 3930 4393 3907 -205 -457 199 C ATOM 474 C GLN A 59 -0.828 8.139 -10.343 1.00 33.39 C ANISOU 474 C GLN A 59 4012 4622 4053 -233 -483 229 C ATOM 475 O GLN A 59 -1.812 8.275 -11.095 1.00 34.67 O ANISOU 475 O GLN A 59 3832 4911 4430 -292 -579 291 O ATOM 476 CB GLN A 59 1.587 8.499 -11.077 1.00 34.03 C ANISOU 476 CB GLN A 59 4394 4553 3981 -64 -419 4 C ATOM 477 CG GLN A 59 1.891 8.702 -12.592 1.00 40.37 C ANISOU 477 CG GLN A 59 5141 5340 4856 -140 -75 103 C ATOM 478 CD GLN A 59 1.610 10.074 -13.146 1.00 45.90 C ANISOU 478 CD GLN A 59 5790 5826 5824 23 -88 137 C ATOM 479 OE1 GLN A 59 0.455 10.448 -13.362 1.00 50.00 O ANISOU 479 OE1 GLN A 59 5772 6704 6521 -183 -102 -4 O ATOM 480 NE2 GLN A 59 2.675 10.838 -13.409 1.00 49.38 N ANISOU 480 NE2 GLN A 59 5983 6583 6194 -114 68 130 N ATOM 0 H GLN A 59 1.388 9.321 -8.796 1.00 28.45 H new ATOM 0 HA GLN A 59 0.031 9.841 -11.034 1.00 32.19 H new ATOM 0 HB2 GLN A 59 2.350 8.836 -10.583 1.00 34.03 H new ATOM 0 HB3 GLN A 59 1.545 7.543 -10.917 1.00 34.03 H new ATOM 0 HG2 GLN A 59 2.826 8.496 -12.746 1.00 40.37 H new ATOM 0 HG3 GLN A 59 1.372 8.057 -13.097 1.00 40.37 H new ATOM 0 HE21 GLN A 59 3.466 10.544 -13.245 1.00 49.38 H new ATOM 0 HE22 GLN A 59 2.569 11.624 -13.742 1.00 49.38 H new ATOM 481 N GLY A 60 -0.748 7.180 -9.416 1.00 32.61 N ANISOU 481 N GLY A 60 3717 4540 4132 -341 -436 260 N ATOM 482 CA GLY A 60 -1.862 6.217 -9.155 1.00 36.31 C ANISOU 482 CA GLY A 60 4361 4913 4520 -339 -271 169 C ATOM 483 C GLY A 60 -3.107 6.885 -8.596 1.00 36.67 C ANISOU 483 C GLY A 60 4301 4982 4651 -301 -205 114 C ATOM 484 O GLY A 60 -4.232 6.486 -8.932 1.00 39.50 O ANISOU 484 O GLY A 60 4623 5419 4965 -455 -204 87 O ATOM 0 H GLY A 60 -0.058 7.059 -8.917 1.00 32.61 H new ATOM 0 HA2 GLY A 60 -2.089 5.761 -9.981 1.00 36.31 H new ATOM 0 HA3 GLY A 60 -1.557 5.539 -8.532 1.00 36.31 H new ATOM 485 N LEU A 61 -2.919 7.882 -7.740 1.00 37.07 N ANISOU 485 N LEU A 61 4460 4972 4649 -248 -145 142 N ATOM 486 CA LEU A 61 -3.984 8.697 -7.131 1.00 36.12 C ANISOU 486 CA LEU A 61 4236 4814 4673 -105 -258 83 C ATOM 487 C LEU A 61 -3.912 10.201 -7.551 1.00 38.38 C ANISOU 487 C LEU A 61 4596 4944 5040 26 -232 -81 C ATOM 488 O LEU A 61 -4.184 11.121 -6.729 1.00 38.39 O ANISOU 488 O LEU A 61 4805 4859 4921 237 -543 -241 O ATOM 489 CB LEU A 61 -4.020 8.536 -5.587 1.00 35.77 C ANISOU 489 CB LEU A 61 3938 4894 4758 -163 -82 47 C ATOM 490 CG LEU A 61 -3.693 7.199 -4.903 1.00 32.94 C ANISOU 490 CG LEU A 61 3593 4517 4405 -358 -276 -46 C ATOM 491 CD1 LEU A 61 -3.472 7.368 -3.391 1.00 29.57 C ANISOU 491 CD1 LEU A 61 2928 4071 4235 -81 343 -48 C ATOM 492 CD2 LEU A 61 -4.736 6.041 -5.223 1.00 37.67 C ANISOU 492 CD2 LEU A 61 4079 5047 5187 -377 -226 84 C ATOM 0 H LEU A 61 -2.134 8.119 -7.482 1.00 37.07 H new ATOM 0 HA LEU A 61 -4.821 8.355 -7.481 1.00 36.12 H new ATOM 0 HB2 LEU A 61 -3.408 9.195 -5.222 1.00 35.77 H new ATOM 0 HB3 LEU A 61 -4.912 8.787 -5.300 1.00 35.77 H new ATOM 0 HG LEU A 61 -2.854 6.907 -5.293 1.00 32.94 H new ATOM 0 HD11 LEU A 61 -3.269 6.506 -2.995 1.00 29.57 H new ATOM 0 HD12 LEU A 61 -2.732 7.976 -3.238 1.00 29.57 H new ATOM 0 HD13 LEU A 61 -4.276 7.728 -2.985 1.00 29.57 H new ATOM 0 HD21 LEU A 61 -4.471 5.230 -4.762 1.00 37.67 H new ATOM 0 HD22 LEU A 61 -5.619 6.309 -4.923 1.00 37.67 H new ATOM 0 HD23 LEU A 61 -4.755 5.878 -6.179 1.00 37.67 H new ATOM 493 N LYS A 65 -11.056 9.931 -8.904 1.00 35.40 N ANISOU 493 N LYS A 65 4369 4289 4793 78 -125 147 N ATOM 494 CA LYS A 65 -11.739 9.263 -7.817 1.00 33.07 C ANISOU 494 CA LYS A 65 3971 3963 4630 225 -131 63 C ATOM 495 C LYS A 65 -11.204 7.813 -7.674 1.00 31.52 C ANISOU 495 C LYS A 65 3806 3789 4379 208 -298 72 C ATOM 496 O LYS A 65 -11.222 7.021 -8.627 1.00 30.00 O ANISOU 496 O LYS A 65 3444 3621 4334 519 -423 120 O ATOM 497 CB LYS A 65 -13.215 9.234 -8.198 1.00 35.07 C ANISOU 497 CB LYS A 65 4113 4388 4822 89 -144 16 C ATOM 498 CG LYS A 65 -14.176 8.747 -7.069 1.00 35.63 C ANISOU 498 CG LYS A 65 4098 4445 4991 71 -74 19 C ATOM 499 CD LYS A 65 -15.671 8.815 -7.570 1.00 39.27 C ANISOU 499 CD LYS A 65 4512 5016 5390 197 -125 31 C ATOM 500 CE LYS A 65 -16.572 8.016 -6.680 1.00 41.70 C ANISOU 500 CE LYS A 65 5245 4834 5763 -55 96 -65 C ATOM 501 NZ LYS A 65 -17.628 7.490 -7.557 1.00 44.38 N ANISOU 501 NZ LYS A 65 5361 5772 5727 209 -161 22 N ATOM 0 HA LYS A 65 -11.598 9.720 -6.973 1.00 33.07 H new ATOM 0 HB2 LYS A 65 -13.483 10.126 -8.470 1.00 35.07 H new ATOM 0 HB3 LYS A 65 -13.325 8.657 -8.970 1.00 35.07 H new ATOM 0 HG2 LYS A 65 -13.953 7.838 -6.813 1.00 35.63 H new ATOM 0 HG3 LYS A 65 -14.066 9.299 -6.279 1.00 35.63 H new ATOM 0 HD2 LYS A 65 -15.967 9.738 -7.591 1.00 39.27 H new ATOM 0 HD3 LYS A 65 -15.727 8.479 -8.478 1.00 39.27 H new ATOM 0 HE2 LYS A 65 -16.086 7.296 -6.248 1.00 41.70 H new ATOM 0 HE3 LYS A 65 -16.946 8.568 -5.976 1.00 41.70 H new ATOM 0 HZ1 LYS A 65 -18.350 7.300 -7.072 1.00 44.38 H new ATOM 0 HZ2 LYS A 65 -17.835 8.100 -8.171 1.00 44.38 H new ATOM 0 HZ3 LYS A 65 -17.339 6.751 -7.959 1.00 44.38 H new ATOM 502 N VAL A 66 -10.726 7.481 -6.482 1.00 28.46 N ANISOU 502 N VAL A 66 3494 3210 4109 153 -295 53 N ATOM 503 CA VAL A 66 -10.293 6.116 -6.222 1.00 26.67 C ANISOU 503 CA VAL A 66 2926 3291 3916 162 -340 67 C ATOM 504 C VAL A 66 -10.890 5.727 -4.912 1.00 25.64 C ANISOU 504 C VAL A 66 2941 3088 3711 203 -292 -69 C ATOM 505 O VAL A 66 -11.001 6.577 -4.017 1.00 28.57 O ANISOU 505 O VAL A 66 3545 3257 4051 -15 -251 -163 O ATOM 506 CB VAL A 66 -8.747 6.104 -6.123 1.00 26.45 C ANISOU 506 CB VAL A 66 2915 3329 3803 184 -296 127 C ATOM 507 CG1 VAL A 66 -8.226 4.767 -5.587 1.00 26.88 C ANISOU 507 CG1 VAL A 66 2785 3508 3919 220 -466 353 C ATOM 508 CG2 VAL A 66 -8.142 6.374 -7.492 1.00 26.63 C ANISOU 508 CG2 VAL A 66 2205 3784 4127 -145 -215 122 C ATOM 0 H VAL A 66 -10.645 8.022 -5.819 1.00 28.46 H new ATOM 0 HA VAL A 66 -10.568 5.503 -6.922 1.00 26.67 H new ATOM 0 HB VAL A 66 -8.484 6.800 -5.501 1.00 26.45 H new ATOM 0 HG11 VAL A 66 -7.258 4.793 -5.538 1.00 26.88 H new ATOM 0 HG12 VAL A 66 -8.590 4.609 -4.702 1.00 26.88 H new ATOM 0 HG13 VAL A 66 -8.500 4.051 -6.181 1.00 26.88 H new ATOM 0 HG21 VAL A 66 -7.174 6.366 -7.426 1.00 26.63 H new ATOM 0 HG22 VAL A 66 -8.429 5.687 -8.114 1.00 26.63 H new ATOM 0 HG23 VAL A 66 -8.436 7.242 -7.811 1.00 26.63 H new ATOM 509 N ARG A 67 -11.299 4.478 -4.785 1.00 22.94 N ANISOU 509 N ARG A 67 2494 2752 3469 345 -488 -54 N ATOM 510 CA ARG A 67 -11.778 3.952 -3.538 1.00 24.16 C ANISOU 510 CA ARG A 67 2682 2772 3722 401 -340 12 C ATOM 511 C ARG A 67 -10.879 2.788 -3.169 1.00 22.15 C ANISOU 511 C ARG A 67 2517 2494 3402 333 -412 28 C ATOM 512 O ARG A 67 -10.426 2.089 -4.033 1.00 22.79 O ANISOU 512 O ARG A 67 2493 2746 3418 559 -431 61 O ATOM 513 CB ARG A 67 -13.234 3.419 -3.709 1.00 26.27 C ANISOU 513 CB ARG A 67 2837 3269 3873 440 -365 41 C ATOM 514 CG ARG A 67 -14.373 4.440 -3.560 1.00 32.53 C ANISOU 514 CG ARG A 67 3612 3989 4755 280 -147 -19 C ATOM 515 CD ARG A 67 -15.757 3.746 -3.542 1.00 35.62 C ANISOU 515 CD ARG A 67 3999 4483 5052 12 -84 -75 C ATOM 516 NE ARG A 67 -16.626 4.430 -4.487 1.00 42.65 N ANISOU 516 NE ARG A 67 4853 5756 5595 44 -60 65 N ATOM 517 CZ ARG A 67 -16.964 3.950 -5.672 1.00 45.07 C ANISOU 517 CZ ARG A 67 5356 5965 5802 -124 36 -70 C ATOM 518 NH1 ARG A 67 -16.546 2.746 -6.052 1.00 46.49 N ANISOU 518 NH1 ARG A 67 5326 6089 6248 -117 54 -19 N ATOM 519 NH2 ARG A 67 -17.742 4.668 -6.458 1.00 48.27 N ANISOU 519 NH2 ARG A 67 5865 6219 6257 77 59 21 N ATOM 0 H ARG A 67 -11.304 3.910 -5.431 1.00 22.94 H new ATOM 0 HA ARG A 67 -11.772 4.642 -2.856 1.00 24.16 H new ATOM 0 HB2 ARG A 67 -13.305 3.014 -4.587 1.00 26.27 H new ATOM 0 HB3 ARG A 67 -13.375 2.713 -3.059 1.00 26.27 H new ATOM 0 HG2 ARG A 67 -14.252 4.945 -2.740 1.00 32.53 H new ATOM 0 HG3 ARG A 67 -14.338 5.075 -4.292 1.00 32.53 H new ATOM 0 HD2 ARG A 67 -15.668 2.810 -3.781 1.00 35.62 H new ATOM 0 HD3 ARG A 67 -16.138 3.776 -2.650 1.00 35.62 H new ATOM 0 HE ARG A 67 -16.941 5.197 -4.260 1.00 42.65 H new ATOM 0 HH11 ARG A 67 -16.054 2.276 -5.526 1.00 46.49 H new ATOM 0 HH12 ARG A 67 -16.768 2.437 -6.823 1.00 46.49 H new ATOM 0 HH21 ARG A 67 -18.023 5.438 -6.198 1.00 48.27 H new ATOM 0 HH22 ARG A 67 -17.968 4.366 -7.231 1.00 48.27 H new ATOM 520 N ALA A 68 -10.719 2.540 -1.891 1.00 19.15 N ANISOU 520 N ALA A 68 1523 2434 3316 200 -260 109 N ATOM 521 CA ALA A 68 -9.946 1.318 -1.474 1.00 17.97 C ANISOU 521 CA ALA A 68 1534 2203 3090 267 -471 233 C ATOM 522 C ALA A 68 -10.618 0.767 -0.249 1.00 18.40 C ANISOU 522 C ALA A 68 1543 2414 3031 234 -252 6 C ATOM 523 O ALA A 68 -10.964 1.522 0.677 1.00 20.38 O ANISOU 523 O ALA A 68 1906 2509 3326 92 67 -116 O ATOM 524 CB ALA A 68 -8.501 1.623 -1.134 1.00 19.00 C ANISOU 524 CB ALA A 68 1539 2445 3232 96 -158 8 C ATOM 0 H ALA A 68 -11.023 3.025 -1.249 1.00 19.15 H new ATOM 0 HA ALA A 68 -9.939 0.691 -2.214 1.00 17.97 H new ATOM 0 HB1 ALA A 68 -8.050 0.805 -0.873 1.00 19.00 H new ATOM 0 HB2 ALA A 68 -8.059 2.002 -1.910 1.00 19.00 H new ATOM 0 HB3 ALA A 68 -8.468 2.258 -0.401 1.00 19.00 H new ATOM 525 N CYS A 69 -10.809 -0.543 -0.225 1.00 17.60 N ANISOU 525 N CYS A 69 1248 2319 3119 120 -341 1 N ATOM 526 CA CYS A 69 -11.530 -1.213 0.868 1.00 19.65 C ANISOU 526 CA CYS A 69 1872 2564 3028 148 -246 -157 C ATOM 527 C CYS A 69 -10.751 -2.447 1.208 1.00 16.89 C ANISOU 527 C CYS A 69 1403 2350 2661 86 113 -83 C ATOM 528 O CYS A 69 -10.436 -3.195 0.298 1.00 17.74 O ANISOU 528 O CYS A 69 1552 2486 2699 278 8 -149 O ATOM 529 CB CYS A 69 -12.980 -1.706 0.452 1.00 22.77 C ANISOU 529 CB CYS A 69 1745 3176 3730 210 -282 -45 C ATOM 530 SG CYS A 69 -14.116 -0.306 0.150 1.00 34.81 S ANISOU 530 SG CYS A 69 2707 4445 6073 452 -658 -712 S ATOM 0 H CYS A 69 -10.527 -1.076 -0.838 1.00 17.60 H new ATOM 0 HA CYS A 69 -11.620 -0.578 1.596 1.00 19.65 H new ATOM 0 HB2 CYS A 69 -12.919 -2.251 -0.348 1.00 22.77 H new ATOM 0 HB3 CYS A 69 -13.342 -2.271 1.152 1.00 22.77 H new ATOM 0 HG CYS A 69 -13.605 0.713 0.527 1.00 34.81 H new ATOM 531 N LEU A 70 -10.550 -2.695 2.482 1.00 17.24 N ANISOU 531 N LEU A 70 1440 2382 2729 26 41 -29 N ATOM 532 CA LEU A 70 -10.036 -4.013 2.915 1.00 17.67 C ANISOU 532 CA LEU A 70 1381 2489 2841 154 20 -148 C ATOM 533 C LEU A 70 -11.066 -4.999 2.506 1.00 17.39 C ANISOU 533 C LEU A 70 717 2716 3172 77 441 -51 C ATOM 534 O LEU A 70 -12.294 -4.728 2.734 1.00 21.19 O ANISOU 534 O LEU A 70 1005 2959 4088 84 267 -134 O ATOM 535 CB LEU A 70 -9.921 -4.129 4.429 1.00 18.98 C ANISOU 535 CB LEU A 70 862 3255 3095 181 234 -94 C ATOM 536 CG LEU A 70 -8.643 -3.507 5.016 1.00 21.29 C ANISOU 536 CG LEU A 70 1845 3239 3005 102 -176 -173 C ATOM 537 CD1 LEU A 70 -8.799 -3.380 6.554 1.00 23.77 C ANISOU 537 CD1 LEU A 70 2595 3468 2966 415 224 -234 C ATOM 538 CD2 LEU A 70 -7.368 -4.384 4.731 1.00 17.97 C ANISOU 538 CD2 LEU A 70 671 2938 3216 467 164 -552 C ATOM 0 H LEU A 70 -10.697 -2.135 3.118 1.00 17.24 H new ATOM 0 HA LEU A 70 -9.157 -4.149 2.528 1.00 17.67 H new ATOM 0 HB2 LEU A 70 -10.692 -3.702 4.835 1.00 18.98 H new ATOM 0 HB3 LEU A 70 -9.954 -5.067 4.674 1.00 18.98 H new ATOM 0 HG LEU A 70 -8.524 -2.642 4.594 1.00 21.29 H new ATOM 0 HD11 LEU A 70 -7.995 -2.988 6.930 1.00 23.77 H new ATOM 0 HD12 LEU A 70 -9.560 -2.813 6.757 1.00 23.77 H new ATOM 0 HD13 LEU A 70 -8.940 -4.259 6.939 1.00 23.77 H new ATOM 0 HD21 LEU A 70 -6.588 -3.956 5.117 1.00 17.97 H new ATOM 0 HD22 LEU A 70 -7.484 -5.262 5.127 1.00 17.97 H new ATOM 0 HD23 LEU A 70 -7.245 -4.475 3.773 1.00 17.97 H new ATOM 539 N THR A 71 -10.708 -6.178 2.041 1.00 17.24 N ANISOU 539 N THR A 71 1193 2370 2986 -72 -49 -108 N ATOM 540 CA THR A 71 -11.673 -7.221 1.689 1.00 18.25 C ANISOU 540 CA THR A 71 1183 2630 3120 -102 -220 -54 C ATOM 541 C THR A 71 -11.464 -8.449 2.562 1.00 17.43 C ANISOU 541 C THR A 71 1243 2477 2901 -276 -220 -26 C ATOM 542 O THR A 71 -12.072 -9.522 2.290 1.00 18.90 O ANISOU 542 O THR A 71 1768 2442 2971 -287 -221 -87 O ATOM 543 CB THR A 71 -11.575 -7.559 0.253 1.00 17.83 C ANISOU 543 CB THR A 71 677 2972 3124 -202 -333 -80 C ATOM 544 OG1 THR A 71 -10.211 -7.818 -0.019 1.00 20.01 O ANISOU 544 OG1 THR A 71 971 3057 3573 -129 -316 -337 O ATOM 545 CG2 THR A 71 -12.031 -6.408 -0.636 1.00 22.82 C ANISOU 545 CG2 THR A 71 2203 3058 3409 -67 -261 142 C ATOM 0 H THR A 71 -9.889 -6.407 1.916 1.00 17.24 H new ATOM 0 HA THR A 71 -12.568 -6.885 1.852 1.00 18.25 H new ATOM 0 HB THR A 71 -12.145 -8.321 0.067 1.00 17.83 H new ATOM 0 HG1 THR A 71 -9.963 -8.496 0.410 1.00 20.01 H new ATOM 0 HG21 THR A 71 -11.952 -6.667 -1.567 1.00 22.82 H new ATOM 0 HG22 THR A 71 -12.956 -6.193 -0.438 1.00 22.82 H new ATOM 0 HG23 THR A 71 -11.476 -5.630 -0.469 1.00 22.82 H new ATOM 546 N GLY A 72 -10.711 -8.256 3.634 1.00 16.05 N ANISOU 546 N GLY A 72 822 2390 2886 -27 -62 -191 N ATOM 547 CA GLY A 72 -10.615 -9.198 4.705 1.00 16.92 C ANISOU 547 CA GLY A 72 1300 2431 2695 -206 -147 -98 C ATOM 548 C GLY A 72 -9.696 -8.639 5.767 1.00 15.92 C ANISOU 548 C GLY A 72 1138 2368 2543 39 35 -67 C ATOM 549 O GLY A 72 -9.219 -7.506 5.592 1.00 17.90 O ANISOU 549 O GLY A 72 1561 2297 2942 -120 107 27 O ATOM 0 H GLY A 72 -10.233 -7.551 3.751 1.00 16.05 H new ATOM 0 HA2 GLY A 72 -11.493 -9.372 5.079 1.00 16.92 H new ATOM 0 HA3 GLY A 72 -10.273 -10.045 4.378 1.00 16.92 H new ATOM 550 N PRO A 73 -9.527 -9.354 6.871 1.00 16.93 N ANISOU 550 N PRO A 73 1572 2204 2657 -218 294 35 N ATOM 551 CA PRO A 73 -8.762 -8.818 7.967 1.00 16.69 C ANISOU 551 CA PRO A 73 1362 2536 2443 -120 324 0 C ATOM 552 C PRO A 73 -7.284 -8.670 7.641 1.00 16.15 C ANISOU 552 C PRO A 73 1539 2308 2287 -124 12 -73 C ATOM 553 O PRO A 73 -6.726 -9.369 6.765 1.00 16.45 O ANISOU 553 O PRO A 73 1747 2088 2415 -189 116 -245 O ATOM 554 CB PRO A 73 -8.957 -9.834 9.096 1.00 17.73 C ANISOU 554 CB PRO A 73 1412 2569 2756 -340 96 -44 C ATOM 555 CG PRO A 73 -9.338 -11.096 8.410 1.00 21.18 C ANISOU 555 CG PRO A 73 2564 2579 2904 -256 112 44 C ATOM 556 CD PRO A 73 -10.139 -10.659 7.176 1.00 19.77 C ANISOU 556 CD PRO A 73 1953 2552 3003 -380 189 0 C ATOM 0 HA PRO A 73 -9.061 -7.923 8.194 1.00 16.69 H new ATOM 0 HB2 PRO A 73 -8.144 -9.946 9.613 1.00 17.73 H new ATOM 0 HB3 PRO A 73 -9.648 -9.546 9.713 1.00 17.73 H new ATOM 0 HG2 PRO A 73 -8.554 -11.607 8.155 1.00 21.18 H new ATOM 0 HG3 PRO A 73 -9.870 -11.663 8.990 1.00 21.18 H new ATOM 0 HD2 PRO A 73 -10.047 -11.285 6.441 1.00 19.77 H new ATOM 0 HD3 PRO A 73 -11.087 -10.582 7.366 1.00 19.77 H new ATOM 557 N VAL A 74 -6.673 -7.713 8.326 1.00 16.43 N ANISOU 557 N VAL A 74 1609 2218 2413 -189 98 -180 N ATOM 558 CA VAL A 74 -5.206 -7.647 8.301 1.00 16.12 C ANISOU 558 CA VAL A 74 1569 2269 2287 -167 144 -94 C ATOM 559 C VAL A 74 -4.627 -8.868 9.016 1.00 15.57 C ANISOU 559 C VAL A 74 1467 2207 2240 -227 -140 -136 C ATOM 560 O VAL A 74 -5.088 -9.241 10.101 1.00 16.92 O ANISOU 560 O VAL A 74 1667 2531 2229 80 112 134 O ATOM 561 CB VAL A 74 -4.651 -6.349 8.980 1.00 16.70 C ANISOU 561 CB VAL A 74 1935 1970 2439 -276 178 -346 C ATOM 562 CG1 VAL A 74 -3.092 -6.375 8.966 1.00 18.91 C ANISOU 562 CG1 VAL A 74 2084 2486 2614 -190 276 -358 C ATOM 563 CG2 VAL A 74 -5.221 -5.107 8.248 1.00 18.33 C ANISOU 563 CG2 VAL A 74 1588 2377 2998 -48 542 -227 C ATOM 0 H VAL A 74 -7.066 -7.110 8.797 1.00 16.43 H new ATOM 0 HA VAL A 74 -4.936 -7.632 7.369 1.00 16.12 H new ATOM 0 HB VAL A 74 -4.933 -6.304 9.907 1.00 16.70 H new ATOM 0 HG11 VAL A 74 -2.751 -5.570 9.387 1.00 18.91 H new ATOM 0 HG12 VAL A 74 -2.777 -7.153 9.453 1.00 18.91 H new ATOM 0 HG13 VAL A 74 -2.777 -6.418 8.050 1.00 18.91 H new ATOM 0 HG21 VAL A 74 -4.880 -4.300 8.665 1.00 18.33 H new ATOM 0 HG22 VAL A 74 -4.951 -5.128 7.317 1.00 18.33 H new ATOM 0 HG23 VAL A 74 -6.189 -5.115 8.304 1.00 18.33 H new ATOM 564 N ARG A 75 -3.614 -9.509 8.405 1.00 14.80 N ANISOU 564 N ARG A 75 1239 2178 2206 -246 66 -3 N ATOM 565 CA ARG A 75 -2.897 -10.605 9.065 1.00 14.31 C ANISOU 565 CA ARG A 75 1198 2307 1931 -347 -17 -33 C ATOM 566 C ARG A 75 -1.595 -10.032 9.530 1.00 17.25 C ANISOU 566 C ARG A 75 1611 2763 2178 -508 -3 65 C ATOM 567 O ARG A 75 -0.712 -9.712 8.718 1.00 20.91 O ANISOU 567 O ARG A 75 1478 4011 2456 -881 -215 288 O ATOM 568 CB ARG A 75 -2.631 -11.746 8.093 1.00 15.92 C ANISOU 568 CB ARG A 75 1382 2424 2240 -139 -107 -31 C ATOM 569 CG ARG A 75 -3.783 -12.659 7.835 1.00 15.55 C ANISOU 569 CG ARG A 75 1194 2248 2464 -226 48 -175 C ATOM 570 CD ARG A 75 -5.004 -12.077 7.142 1.00 16.25 C ANISOU 570 CD ARG A 75 1004 2494 2673 -149 140 -249 C ATOM 571 NE ARG A 75 -5.833 -13.182 6.644 1.00 16.05 N ANISOU 571 NE ARG A 75 1149 2271 2677 -364 45 -390 N ATOM 572 CZ ARG A 75 -6.858 -13.029 5.820 1.00 14.98 C ANISOU 572 CZ ARG A 75 1166 2096 2430 -200 152 -173 C ATOM 573 NH1 ARG A 75 -7.302 -11.821 5.461 1.00 16.87 N ANISOU 573 NH1 ARG A 75 1781 2116 2511 118 359 -18 N ATOM 574 NH2 ARG A 75 -7.421 -14.120 5.354 1.00 17.00 N ANISOU 574 NH2 ARG A 75 1755 2135 2568 -448 208 -240 N ATOM 0 H ARG A 75 -3.332 -9.322 7.614 1.00 14.80 H new ATOM 0 HA ARG A 75 -3.421 -10.964 9.798 1.00 14.31 H new ATOM 0 HB2 ARG A 75 -2.344 -11.368 7.247 1.00 15.92 H new ATOM 0 HB3 ARG A 75 -1.892 -12.273 8.434 1.00 15.92 H new ATOM 0 HG2 ARG A 75 -3.461 -13.401 7.300 1.00 15.55 H new ATOM 0 HG3 ARG A 75 -4.069 -13.026 8.686 1.00 15.55 H new ATOM 0 HD2 ARG A 75 -5.511 -11.528 7.760 1.00 16.25 H new ATOM 0 HD3 ARG A 75 -4.733 -11.503 6.409 1.00 16.25 H new ATOM 0 HE ARG A 75 -5.641 -13.979 6.904 1.00 16.05 H new ATOM 0 HH11 ARG A 75 -6.920 -11.114 5.767 1.00 16.87 H new ATOM 0 HH12 ARG A 75 -7.970 -11.751 4.924 1.00 16.87 H new ATOM 0 HH21 ARG A 75 -7.121 -14.892 5.587 1.00 17.00 H new ATOM 0 HH22 ARG A 75 -8.090 -14.063 4.816 1.00 17.00 H new ATOM 575 N ALA A 76 -1.360 -9.983 10.828 1.00 18.29 N ANISOU 575 N ALA A 76 1891 2901 2156 -474 54 105 N ATOM 576 CA ALA A 76 -0.128 -9.390 11.345 1.00 20.11 C ANISOU 576 CA ALA A 76 2453 2766 2419 -364 -214 6 C ATOM 577 C ALA A 76 0.638 -10.471 11.990 1.00 21.93 C ANISOU 577 C ALA A 76 2663 2989 2677 -330 -31 361 C ATOM 578 O ALA A 76 0.102 -11.350 12.634 1.00 26.91 O ANISOU 578 O ALA A 76 3206 3474 3541 -536 -178 432 O ATOM 579 CB ALA A 76 -0.473 -8.305 12.405 1.00 22.61 C ANISOU 579 CB ALA A 76 3015 2960 2614 -293 -52 0 C ATOM 0 H ALA A 76 -1.895 -10.285 11.430 1.00 18.29 H new ATOM 0 HA ALA A 76 0.381 -8.977 10.630 1.00 20.11 H new ATOM 0 HB1 ALA A 76 0.346 -7.913 12.746 1.00 22.61 H new ATOM 0 HB2 ALA A 76 -1.015 -7.613 11.995 1.00 22.61 H new ATOM 0 HB3 ALA A 76 -0.965 -8.711 13.136 1.00 22.61 H new ATOM 580 N SER A 77 1.942 -10.280 12.022 1.00 23.02 N ANISOU 580 N SER A 77 2555 3051 3140 -264 -44 350 N ATOM 581 CA SER A 77 2.894 -11.166 12.690 1.00 24.20 C ANISOU 581 CA SER A 77 2791 3261 3143 -105 118 288 C ATOM 582 C SER A 77 3.395 -10.494 13.957 1.00 25.12 C ANISOU 582 C SER A 77 2786 3428 3327 -177 -79 312 C ATOM 583 O SER A 77 3.050 -9.361 14.279 1.00 26.66 O ANISOU 583 O SER A 77 2779 3764 3585 -271 -251 203 O ATOM 584 CB SER A 77 4.107 -11.294 11.744 1.00 26.90 C ANISOU 584 CB SER A 77 3118 3511 3591 -358 263 250 C ATOM 585 OG SER A 77 4.985 -10.166 11.842 1.00 29.32 O ANISOU 585 OG SER A 77 3393 3794 3951 -330 -272 254 O ATOM 0 H SER A 77 2.319 -9.607 11.643 1.00 23.02 H new ATOM 0 HA SER A 77 2.483 -12.020 12.898 1.00 24.20 H new ATOM 0 HB2 SER A 77 4.597 -12.104 11.956 1.00 26.90 H new ATOM 0 HB3 SER A 77 3.795 -11.382 10.830 1.00 26.90 H new ATOM 0 HG SER A 77 5.745 -10.376 11.553 1.00 29.32 H new ATOM 586 N HIS A 78 4.286 -11.195 14.648 1.00 27.14 N ANISOU 586 N HIS A 78 3109 3733 3468 -240 -81 463 N ATOM 587 CA HIS A 78 4.966 -10.653 15.843 1.00 27.99 C ANISOU 587 CA HIS A 78 3163 4031 3439 -305 -159 457 C ATOM 588 C HIS A 78 6.359 -10.172 15.528 1.00 27.86 C ANISOU 588 C HIS A 78 2940 4087 3559 -179 -161 433 C ATOM 589 O HIS A 78 7.227 -10.083 16.406 1.00 31.39 O ANISOU 589 O HIS A 78 3458 4542 3924 -263 -419 610 O ATOM 590 CB HIS A 78 5.055 -11.721 16.908 1.00 28.90 C ANISOU 590 CB HIS A 78 3487 3992 3501 -213 -22 460 C ATOM 591 CG HIS A 78 3.717 -12.027 17.484 1.00 28.40 C ANISOU 591 CG HIS A 78 3331 4068 3391 -279 -107 250 C ATOM 592 ND1 HIS A 78 2.959 -11.073 18.131 1.00 31.21 N ANISOU 592 ND1 HIS A 78 3584 4309 3963 -261 38 0 N ATOM 593 CD2 HIS A 78 2.950 -13.135 17.428 1.00 29.57 C ANISOU 593 CD2 HIS A 78 3499 4096 3638 -140 118 -119 C ATOM 594 CE1 HIS A 78 1.815 -11.603 18.513 1.00 29.78 C ANISOU 594 CE1 HIS A 78 3426 3964 3925 -161 -161 95 C ATOM 595 NE2 HIS A 78 1.787 -12.848 18.093 1.00 27.24 N ANISOU 595 NE2 HIS A 78 2932 4135 3281 -419 -210 -54 N ATOM 0 H HIS A 78 4.520 -11.998 14.446 1.00 27.14 H new ATOM 0 HA HIS A 78 4.443 -9.898 16.156 1.00 27.99 H new ATOM 0 HB2 HIS A 78 5.438 -12.527 16.528 1.00 28.90 H new ATOM 0 HB3 HIS A 78 5.653 -11.428 17.613 1.00 28.90 H new ATOM 0 HD2 HIS A 78 3.169 -13.940 17.017 1.00 29.57 H new ATOM 0 HE1 HIS A 78 1.146 -11.172 18.994 1.00 29.78 H new ATOM 0 HE2 HIS A 78 1.138 -13.398 18.217 1.00 27.24 H new ATOM 596 N ASN A 79 6.609 -9.890 14.289 1.00 28.34 N ANISOU 596 N ASN A 79 2791 4070 3907 -264 -171 612 N ATOM 597 CA ASN A 79 7.940 -9.344 13.981 1.00 29.15 C ANISOU 597 CA ASN A 79 3056 4146 3873 -349 -155 563 C ATOM 598 C ASN A 79 7.814 -8.117 13.091 1.00 26.48 C ANISOU 598 C ASN A 79 2730 3877 3452 -291 -336 630 C ATOM 599 O ASN A 79 8.733 -7.832 12.290 1.00 29.23 O ANISOU 599 O ASN A 79 2638 4449 4017 -699 -628 602 O ATOM 600 CB ASN A 79 8.831 -10.410 13.411 1.00 30.94 C ANISOU 600 CB ASN A 79 3271 4264 4218 -169 -40 435 C ATOM 601 CG ASN A 79 8.435 -10.912 12.031 1.00 33.92 C ANISOU 601 CG ASN A 79 3925 4548 4412 -241 17 186 C ATOM 602 OD1 ASN A 79 7.243 -10.617 11.584 1.00 43.66 O flip ANISOU 602 OD1 ASN A 79 5389 5318 5881 168 187 -95 O ATOM 603 ND2 ASN A 79 9.237 -11.592 11.373 1.00 39.99 N flip ANISOU 603 ND2 ASN A 79 4668 5345 5178 101 -5 145 N ATOM 0 H ASN A 79 6.071 -9.991 13.625 1.00 28.34 H new ATOM 0 HA ASN A 79 8.367 -9.047 14.800 1.00 29.15 H new ATOM 0 HB2 ASN A 79 9.737 -10.066 13.367 1.00 30.94 H new ATOM 0 HB3 ASN A 79 8.843 -11.163 14.023 1.00 30.94 H new ATOM 0 HD21 ASN A 79 10.015 -11.770 11.694 1.00 39.99 H new ATOM 0 HD22 ASN A 79 9.015 -11.886 10.596 1.00 39.99 H new ATOM 604 N GLY A 80 6.742 -7.355 13.310 1.00 23.83 N ANISOU 604 N GLY A 80 2264 3763 3028 -850 -633 410 N ATOM 605 CA GLY A 80 6.570 -6.077 12.695 1.00 21.82 C ANISOU 605 CA GLY A 80 2134 3278 2876 -709 -814 324 C ATOM 606 C GLY A 80 6.225 -6.167 11.225 1.00 22.23 C ANISOU 606 C GLY A 80 2492 3074 2878 -708 -657 411 C ATOM 607 O GLY A 80 6.379 -5.206 10.489 1.00 23.26 O ANISOU 607 O GLY A 80 2830 3114 2891 -913 -634 475 O ATOM 0 H GLY A 80 6.095 -7.583 13.829 1.00 23.83 H new ATOM 0 HA2 GLY A 80 5.868 -5.594 13.157 1.00 21.82 H new ATOM 0 HA3 GLY A 80 7.385 -5.562 12.799 1.00 21.82 H new ATOM 608 N CYS A 81 5.593 -7.263 10.828 1.00 20.96 N ANISOU 608 N CYS A 81 2174 2927 2860 -655 -882 393 N ATOM 609 CA CYS A 81 5.169 -7.413 9.435 1.00 20.83 C ANISOU 609 CA CYS A 81 2236 2996 2682 -376 -555 223 C ATOM 610 C CYS A 81 3.690 -7.744 9.370 1.00 18.84 C ANISOU 610 C CYS A 81 2124 2734 2300 -542 -272 144 C ATOM 611 O CYS A 81 3.089 -8.216 10.340 1.00 20.14 O ANISOU 611 O CYS A 81 2062 3155 2437 -392 -699 359 O ATOM 612 CB CYS A 81 5.938 -8.515 8.721 1.00 24.62 C ANISOU 612 CB CYS A 81 2310 3855 3189 -407 -416 77 C ATOM 613 SG CYS A 81 7.684 -8.249 8.692 1.00 32.01 S ANISOU 613 SG CYS A 81 2286 4541 5334 -220 -716 221 S ATOM 0 H CYS A 81 5.400 -7.927 11.340 1.00 20.96 H new ATOM 0 HA CYS A 81 5.350 -6.569 8.993 1.00 20.83 H new ATOM 0 HB2 CYS A 81 5.754 -9.362 9.156 1.00 24.62 H new ATOM 0 HB3 CYS A 81 5.614 -8.588 7.810 1.00 24.62 H new ATOM 0 HG CYS A 81 8.200 -8.878 9.574 1.00 32.01 H new ATOM 614 N GLY A 82 3.084 -7.442 8.238 1.00 16.57 N ANISOU 614 N GLY A 82 1440 2643 2212 -583 -286 131 N ATOM 615 CA GLY A 82 1.688 -7.813 8.084 1.00 17.26 C ANISOU 615 CA GLY A 82 1487 2846 2224 -667 -218 171 C ATOM 616 C GLY A 82 1.364 -7.914 6.621 1.00 15.00 C ANISOU 616 C GLY A 82 1413 2296 1990 -406 -334 100 C ATOM 617 O GLY A 82 2.114 -7.468 5.753 1.00 14.85 O ANISOU 617 O GLY A 82 1119 2450 2073 -300 -170 89 O ATOM 0 H GLY A 82 3.443 -7.038 7.569 1.00 16.57 H new ATOM 0 HA2 GLY A 82 1.517 -8.660 8.524 1.00 17.26 H new ATOM 0 HA3 GLY A 82 1.118 -7.153 8.508 1.00 17.26 H new ATOM 618 N ALA A 83 0.201 -8.506 6.371 1.00 14.82 N ANISOU 618 N ALA A 83 1167 2256 2207 -381 -146 27 N ATOM 619 CA ALA A 83 -0.303 -8.687 4.993 1.00 13.36 C ANISOU 619 CA ALA A 83 892 2125 2060 -158 -127 -81 C ATOM 620 C ALA A 83 -1.807 -8.405 5.008 1.00 13.34 C ANISOU 620 C ALA A 83 1237 1918 1913 -162 221 -31 C ATOM 621 O ALA A 83 -2.485 -8.750 5.958 1.00 14.25 O ANISOU 621 O ALA A 83 1118 2331 1964 -82 111 202 O ATOM 622 CB ALA A 83 -0.113 -10.098 4.470 1.00 15.18 C ANISOU 622 CB ALA A 83 1005 2114 2649 -163 50 38 C ATOM 0 H ALA A 83 -0.320 -8.814 6.982 1.00 14.82 H new ATOM 0 HA ALA A 83 0.195 -8.086 4.417 1.00 13.36 H new ATOM 0 HB1 ALA A 83 -0.460 -10.158 3.566 1.00 15.18 H new ATOM 0 HB2 ALA A 83 0.832 -10.318 4.468 1.00 15.18 H new ATOM 0 HB3 ALA A 83 -0.589 -10.722 5.041 1.00 15.18 H new ATOM 623 N MET A 84 -2.287 -7.858 3.903 1.00 13.07 N ANISOU 623 N MET A 84 1180 1921 1865 59 -23 -115 N ATOM 624 CA MET A 84 -3.729 -7.561 3.901 1.00 13.21 C ANISOU 624 CA MET A 84 1029 1985 2003 138 12 -191 C ATOM 625 C MET A 84 -4.259 -7.705 2.502 1.00 13.27 C ANISOU 625 C MET A 84 1073 1979 1988 -189 276 1 C ATOM 626 O MET A 84 -3.560 -7.339 1.545 1.00 13.72 O ANISOU 626 O MET A 84 1106 2034 2070 -138 -68 -64 O ATOM 627 CB MET A 84 -4.054 -6.196 4.458 1.00 14.60 C ANISOU 627 CB MET A 84 1163 2083 2299 126 -118 -134 C ATOM 628 CG MET A 84 -3.432 -5.098 3.620 1.00 17.68 C ANISOU 628 CG MET A 84 2293 2029 2392 -166 -174 -172 C ATOM 629 SD MET A 84 -3.762 -3.512 4.444 1.00 17.81 S ANISOU 629 SD MET A 84 1948 2177 2639 57 -284 -343 S ATOM 630 CE MET A 84 -2.603 -2.527 3.555 1.00 20.25 C ANISOU 630 CE MET A 84 2093 2527 3073 -247 -8 -54 C ATOM 0 H MET A 84 -1.846 -7.660 3.192 1.00 13.07 H new ATOM 0 HA MET A 84 -4.162 -8.199 4.490 1.00 13.21 H new ATOM 0 HB2 MET A 84 -5.016 -6.077 4.488 1.00 14.60 H new ATOM 0 HB3 MET A 84 -3.732 -6.131 5.371 1.00 14.60 H new ATOM 0 HG2 MET A 84 -2.477 -5.241 3.528 1.00 17.68 H new ATOM 0 HG3 MET A 84 -3.807 -5.100 2.725 1.00 17.68 H new ATOM 0 HE1 MET A 84 -1.866 -2.288 4.139 1.00 20.25 H new ATOM 0 HE2 MET A 84 -2.264 -3.030 2.798 1.00 20.25 H new ATOM 0 HE3 MET A 84 -3.039 -1.721 3.238 1.00 20.25 H new ATOM 631 N PRO A 85 -5.521 -8.136 2.381 1.00 12.73 N ANISOU 631 N PRO A 85 625 2058 2153 124 -1 -20 N ATOM 632 CA PRO A 85 -6.148 -8.114 1.050 1.00 12.49 C ANISOU 632 CA PRO A 85 715 1998 2032 -83 -324 -33 C ATOM 633 C PRO A 85 -7.102 -6.904 0.891 1.00 13.66 C ANISOU 633 C PRO A 85 1156 2076 1958 180 -255 -195 C ATOM 634 O PRO A 85 -7.821 -6.601 1.832 1.00 14.31 O ANISOU 634 O PRO A 85 1168 2093 2175 -216 -153 -145 O ATOM 635 CB PRO A 85 -6.984 -9.423 1.087 1.00 14.93 C ANISOU 635 CB PRO A 85 1245 2152 2273 -180 -102 -120 C ATOM 636 CG PRO A 85 -7.465 -9.477 2.525 1.00 16.24 C ANISOU 636 CG PRO A 85 1656 2001 2513 -259 -154 -282 C ATOM 637 CD PRO A 85 -6.464 -8.720 3.390 1.00 13.77 C ANISOU 637 CD PRO A 85 834 2147 2248 -381 249 -99 C ATOM 0 HA PRO A 85 -5.508 -8.047 0.324 1.00 12.49 H new ATOM 0 HB2 PRO A 85 -7.724 -9.395 0.461 1.00 14.93 H new ATOM 0 HB3 PRO A 85 -6.448 -10.198 0.858 1.00 14.93 H new ATOM 0 HG2 PRO A 85 -8.347 -9.080 2.602 1.00 16.24 H new ATOM 0 HG3 PRO A 85 -7.541 -10.397 2.822 1.00 16.24 H new ATOM 0 HD2 PRO A 85 -6.895 -8.031 3.919 1.00 13.77 H new ATOM 0 HD3 PRO A 85 -6.007 -9.310 4.010 1.00 13.77 H new ATOM 638 N PHE A 86 -7.095 -6.321 -0.294 1.00 13.99 N ANISOU 638 N PHE A 86 1097 1933 2283 149 -363 -151 N ATOM 639 CA PHE A 86 -7.989 -5.191 -0.464 1.00 13.92 C ANISOU 639 CA PHE A 86 1254 1969 2065 162 -287 -138 C ATOM 640 C PHE A 86 -8.307 -5.046 -1.923 1.00 15.32 C ANISOU 640 C PHE A 86 1167 2255 2397 25 -233 -66 C ATOM 641 O PHE A 86 -7.738 -5.739 -2.796 1.00 15.21 O ANISOU 641 O PHE A 86 1295 2459 2024 52 -311 -233 O ATOM 642 CB PHE A 86 -7.351 -3.881 0.103 1.00 15.19 C ANISOU 642 CB PHE A 86 1087 2193 2490 -133 -115 -292 C ATOM 643 CG PHE A 86 -6.010 -3.476 -0.503 1.00 14.79 C ANISOU 643 CG PHE A 86 1132 2217 2271 42 17 -233 C ATOM 644 CD1 PHE A 86 -4.781 -4.106 -0.191 1.00 15.20 C ANISOU 644 CD1 PHE A 86 1016 2464 2295 -132 -249 -400 C ATOM 645 CD2 PHE A 86 -6.011 -2.452 -1.421 1.00 17.21 C ANISOU 645 CD2 PHE A 86 1283 2545 2711 -24 -83 -54 C ATOM 646 CE1 PHE A 86 -3.604 -3.677 -0.737 1.00 16.02 C ANISOU 646 CE1 PHE A 86 1243 2415 2427 -295 63 -130 C ATOM 647 CE2 PHE A 86 -4.794 -2.001 -1.972 1.00 17.46 C ANISOU 647 CE2 PHE A 86 1554 2573 2507 -125 -183 24 C ATOM 648 CZ PHE A 86 -3.595 -2.626 -1.620 1.00 17.35 C ANISOU 648 CZ PHE A 86 1297 2615 2680 -215 -126 -46 C ATOM 0 H PHE A 86 -6.615 -6.543 -0.972 1.00 13.99 H new ATOM 0 HA PHE A 86 -8.807 -5.348 0.032 1.00 13.92 H new ATOM 0 HB2 PHE A 86 -7.979 -3.153 -0.028 1.00 15.19 H new ATOM 0 HB3 PHE A 86 -7.235 -3.986 1.060 1.00 15.19 H new ATOM 0 HD1 PHE A 86 -4.775 -4.826 0.397 1.00 15.20 H new ATOM 0 HD2 PHE A 86 -6.813 -2.058 -1.678 1.00 17.21 H new ATOM 0 HE1 PHE A 86 -2.807 -4.098 -0.510 1.00 16.02 H new ATOM 0 HE2 PHE A 86 -4.789 -1.288 -2.569 1.00 17.46 H new ATOM 0 HZ PHE A 86 -2.792 -2.330 -1.984 1.00 17.35 H new ATOM 649 N ARG A 87 -9.279 -4.146 -2.190 1.00 15.13 N ANISOU 649 N ARG A 87 1186 2319 2240 254 -478 65 N ATOM 650 CA ARG A 87 -9.645 -3.905 -3.522 1.00 16.72 C ANISOU 650 CA ARG A 87 1484 2361 2507 112 -231 125 C ATOM 651 C ARG A 87 -9.560 -2.379 -3.753 1.00 17.23 C ANISOU 651 C ARG A 87 1853 2260 2433 344 -430 71 C ATOM 652 O ARG A 87 -10.015 -1.622 -2.885 1.00 20.37 O ANISOU 652 O ARG A 87 2618 2342 2778 490 -144 -169 O ATOM 653 CB ARG A 87 -11.114 -4.350 -3.737 1.00 19.51 C ANISOU 653 CB ARG A 87 1732 2851 2828 -88 -455 -7 C ATOM 654 CG ARG A 87 -11.628 -4.037 -5.150 1.00 22.13 C ANISOU 654 CG ARG A 87 1517 3669 3221 -140 -607 133 C ATOM 655 CD ARG A 87 -13.023 -4.688 -5.283 1.00 28.53 C ANISOU 655 CD ARG A 87 2475 4164 4200 -359 -254 -143 C ATOM 656 NE ARG A 87 -12.822 -6.034 -5.758 1.00 37.60 N ANISOU 656 NE ARG A 87 4374 4832 5078 -225 -303 -6 N ATOM 657 CZ ARG A 87 -13.467 -6.548 -6.805 1.00 38.49 C ANISOU 657 CZ ARG A 87 4469 5103 5051 -93 -413 -42 C ATOM 658 NH1 ARG A 87 -14.398 -5.830 -7.451 1.00 40.57 N ANISOU 658 NH1 ARG A 87 4389 5037 5986 297 -252 144 N ATOM 659 NH2 ARG A 87 -13.223 -7.787 -7.167 1.00 37.63 N ANISOU 659 NH2 ARG A 87 4025 5039 5234 -35 -335 -112 N ATOM 0 H ARG A 87 -9.709 -3.692 -1.600 1.00 15.13 H new ATOM 0 HA ARG A 87 -9.065 -4.390 -4.130 1.00 16.72 H new ATOM 0 HB2 ARG A 87 -11.186 -5.304 -3.575 1.00 19.51 H new ATOM 0 HB3 ARG A 87 -11.681 -3.908 -3.086 1.00 19.51 H new ATOM 0 HG2 ARG A 87 -11.683 -3.079 -5.290 1.00 22.13 H new ATOM 0 HG3 ARG A 87 -11.021 -4.388 -5.821 1.00 22.13 H new ATOM 0 HD2 ARG A 87 -13.482 -4.692 -4.428 1.00 28.53 H new ATOM 0 HD3 ARG A 87 -13.577 -4.186 -5.901 1.00 28.53 H new ATOM 0 HE ARG A 87 -12.256 -6.532 -5.344 1.00 37.60 H new ATOM 0 HH11 ARG A 87 -14.583 -5.032 -7.190 1.00 40.57 H new ATOM 0 HH12 ARG A 87 -14.810 -6.168 -8.126 1.00 40.57 H new ATOM 0 HH21 ARG A 87 -12.652 -8.258 -6.730 1.00 37.63 H new ATOM 0 HH22 ARG A 87 -13.635 -8.127 -7.841 1.00 37.63 H new ATOM 660 N VAL A 88 -9.013 -1.985 -4.892 1.00 17.88 N ANISOU 660 N VAL A 88 1800 2298 2695 291 -527 236 N ATOM 661 CA VAL A 88 -8.976 -0.588 -5.271 1.00 20.57 C ANISOU 661 CA VAL A 88 2336 2628 2849 110 -553 298 C ATOM 662 C VAL A 88 -9.909 -0.384 -6.469 1.00 22.01 C ANISOU 662 C VAL A 88 2658 2814 2890 505 -657 222 C ATOM 663 O VAL A 88 -9.829 -1.143 -7.431 1.00 22.74 O ANISOU 663 O VAL A 88 2857 2858 2922 719 -776 85 O ATOM 664 CB VAL A 88 -7.543 -0.204 -5.717 1.00 22.45 C ANISOU 664 CB VAL A 88 2731 2780 3017 -44 -379 370 C ATOM 665 CG1 VAL A 88 -7.456 1.243 -6.157 1.00 26.03 C ANISOU 665 CG1 VAL A 88 2914 2938 4038 181 -390 324 C ATOM 666 CG2 VAL A 88 -6.586 -0.383 -4.541 1.00 25.27 C ANISOU 666 CG2 VAL A 88 2981 3371 3248 33 -564 232 C ATOM 0 H VAL A 88 -8.655 -2.519 -5.463 1.00 17.88 H new ATOM 0 HA VAL A 88 -9.247 -0.043 -4.516 1.00 20.57 H new ATOM 0 HB VAL A 88 -7.309 -0.778 -6.463 1.00 22.45 H new ATOM 0 HG11 VAL A 88 -6.547 1.445 -6.428 1.00 26.03 H new ATOM 0 HG12 VAL A 88 -8.056 1.391 -6.905 1.00 26.03 H new ATOM 0 HG13 VAL A 88 -7.709 1.821 -5.421 1.00 26.03 H new ATOM 0 HG21 VAL A 88 -5.687 -0.144 -4.816 1.00 25.27 H new ATOM 0 HG22 VAL A 88 -6.863 0.189 -3.808 1.00 25.27 H new ATOM 0 HG23 VAL A 88 -6.599 -1.308 -4.251 1.00 25.27 H new ATOM 667 N GLU A 89 -10.783 0.631 -6.395 1.00 22.26 N ANISOU 667 N GLU A 89 2305 3031 3120 660 -718 120 N ATOM 668 CA GLU A 89 -11.716 0.900 -7.514 1.00 25.93 C ANISOU 668 CA GLU A 89 3117 3243 3491 311 -656 193 C ATOM 669 C GLU A 89 -11.318 2.219 -8.102 1.00 25.99 C ANISOU 669 C GLU A 89 3217 3126 3530 559 -724 240 C ATOM 670 O GLU A 89 -11.067 3.153 -7.389 1.00 26.20 O ANISOU 670 O GLU A 89 3494 2861 3599 664 -714 245 O ATOM 671 CB GLU A 89 -13.184 0.806 -7.065 1.00 26.88 C ANISOU 671 CB GLU A 89 2971 3472 3768 439 -589 108 C ATOM 672 CG GLU A 89 -13.593 -0.648 -6.856 1.00 31.58 C ANISOU 672 CG GLU A 89 3745 3996 4257 136 -176 95 C ATOM 673 CD GLU A 89 -14.978 -0.829 -6.278 1.00 39.04 C ANISOU 673 CD GLU A 89 4414 4932 5487 -10 72 1 C ATOM 674 OE1 GLU A 89 -15.683 0.176 -6.086 1.00 42.94 O ANISOU 674 OE1 GLU A 89 4905 5385 6023 64 -53 97 O ATOM 675 OE2 GLU A 89 -15.342 -1.995 -5.991 1.00 43.85 O ANISOU 675 OE2 GLU A 89 4917 5580 6165 -77 -84 246 O ATOM 0 H GLU A 89 -10.855 1.166 -5.725 1.00 22.26 H new ATOM 0 HA GLU A 89 -11.653 0.225 -8.207 1.00 25.93 H new ATOM 0 HB2 GLU A 89 -13.307 1.303 -6.241 1.00 26.88 H new ATOM 0 HB3 GLU A 89 -13.758 1.215 -7.732 1.00 26.88 H new ATOM 0 HG2 GLU A 89 -13.546 -1.111 -7.707 1.00 31.58 H new ATOM 0 HG3 GLU A 89 -12.950 -1.072 -6.266 1.00 31.58 H new ATOM 676 N MET A 90 -11.142 2.258 -9.416 1.00 29.92 N ANISOU 676 N MET A 90 3909 3525 3931 365 -433 252 N ATOM 677 CA MET A 90 -10.691 3.470 -10.059 1.00 33.62 C ANISOU 677 CA MET A 90 4491 4049 4235 213 -346 295 C ATOM 678 C MET A 90 -11.366 3.585 -11.410 1.00 34.26 C ANISOU 678 C MET A 90 4602 4125 4290 172 -395 265 C ATOM 679 O MET A 90 -12.131 2.705 -11.781 1.00 34.23 O ANISOU 679 O MET A 90 4507 4291 4208 326 -742 417 O ATOM 680 CB MET A 90 -9.179 3.438 -10.206 1.00 35.41 C ANISOU 680 CB MET A 90 4657 4400 4396 106 -169 325 C ATOM 681 CG MET A 90 -8.652 2.328 -11.120 1.00 40.79 C ANISOU 681 CG MET A 90 5383 5085 5028 146 -51 65 C ATOM 682 SD MET A 90 -8.444 0.712 -10.315 1.00 49.10 S ANISOU 682 SD MET A 90 6083 6230 6343 97 -77 319 S ATOM 683 CE MET A 90 -6.706 0.823 -9.880 1.00 47.63 C ANISOU 683 CE MET A 90 5847 6277 5971 -23 -64 11 C ATOM 0 H MET A 90 -11.279 1.595 -9.946 1.00 29.92 H new ATOM 0 HA MET A 90 -10.925 4.244 -9.523 1.00 33.62 H new ATOM 0 HB2 MET A 90 -8.881 4.294 -10.551 1.00 35.41 H new ATOM 0 HB3 MET A 90 -8.782 3.333 -9.327 1.00 35.41 H new ATOM 0 HG2 MET A 90 -9.261 2.226 -11.868 1.00 40.79 H new ATOM 0 HG3 MET A 90 -7.797 2.606 -11.485 1.00 40.79 H new ATOM 0 HE1 MET A 90 -6.186 0.268 -10.482 1.00 47.63 H new ATOM 0 HE2 MET A 90 -6.412 1.744 -9.954 1.00 47.63 H new ATOM 0 HE3 MET A 90 -6.580 0.516 -8.968 1.00 47.63 H new ATOM 684 N VAL A 91 -11.047 4.649 -12.142 1.00 36.91 N ANISOU 684 N VAL A 91 4916 4616 4491 146 -311 247 N ATOM 685 CA VAL A 91 -11.625 4.912 -13.455 1.00 38.85 C ANISOU 685 CA VAL A 91 5082 4919 4760 76 -226 187 C ATOM 686 C VAL A 91 -10.443 4.939 -14.394 1.00 39.57 C ANISOU 686 C VAL A 91 5171 5039 4823 50 -174 212 C ATOM 687 O VAL A 91 -9.440 5.641 -14.136 1.00 40.18 O ANISOU 687 O VAL A 91 5367 5052 4845 16 -190 258 O ATOM 688 CB VAL A 91 -12.411 6.256 -13.460 1.00 39.39 C ANISOU 688 CB VAL A 91 5166 4938 4861 94 -148 184 C ATOM 689 CG1 VAL A 91 -12.433 6.904 -14.829 1.00 41.58 C ANISOU 689 CG1 VAL A 91 5474 5172 5151 -37 -182 154 C ATOM 690 CG2 VAL A 91 -13.836 6.024 -13.002 1.00 41.05 C ANISOU 690 CG2 VAL A 91 5162 5179 5256 -40 -194 205 C ATOM 0 H VAL A 91 -10.482 5.245 -11.886 1.00 36.91 H new ATOM 0 HA VAL A 91 -12.272 4.239 -13.719 1.00 38.85 H new ATOM 0 HB VAL A 91 -11.952 6.855 -12.851 1.00 39.39 H new ATOM 0 HG11 VAL A 91 -12.931 7.735 -14.786 1.00 41.58 H new ATOM 0 HG12 VAL A 91 -11.524 7.087 -15.115 1.00 41.58 H new ATOM 0 HG13 VAL A 91 -12.858 6.306 -15.464 1.00 41.58 H new ATOM 0 HG21 VAL A 91 -14.319 6.865 -13.008 1.00 41.05 H new ATOM 0 HG22 VAL A 91 -14.271 5.398 -13.602 1.00 41.05 H new ATOM 0 HG23 VAL A 91 -13.832 5.660 -12.103 1.00 41.05 H new ATOM 691 N TRP A 92 -10.531 4.106 -15.432 1.00 41.05 N ANISOU 691 N TRP A 92 5351 5218 5025 29 -204 228 N ATOM 692 CA TRP A 92 -9.506 4.024 -16.441 1.00 43.60 C ANISOU 692 CA TRP A 92 5685 5605 5274 44 -167 113 C ATOM 693 C TRP A 92 -10.154 4.315 -17.796 1.00 44.16 C ANISOU 693 C TRP A 92 5775 5671 5331 9 -190 157 C ATOM 694 O TRP A 92 -11.057 3.590 -18.230 1.00 44.39 O ANISOU 694 O TRP A 92 5981 5603 5282 52 -223 138 O ATOM 695 CB TRP A 92 -8.857 2.645 -16.424 1.00 44.94 C ANISOU 695 CB TRP A 92 5845 5718 5510 44 -167 151 C ATOM 696 CG TRP A 92 -7.767 2.492 -17.436 1.00 47.01 C ANISOU 696 CG TRP A 92 5999 6091 5769 -3 -19 42 C ATOM 697 CD1 TRP A 92 -6.884 3.454 -17.841 1.00 47.99 C ANISOU 697 CD1 TRP A 92 6102 6089 6044 -88 -85 -25 C ATOM 698 CD2 TRP A 92 -7.442 1.308 -18.184 1.00 49.37 C ANISOU 698 CD2 TRP A 92 6272 6161 6323 -12 81 -11 C ATOM 699 NE1 TRP A 92 -6.023 2.942 -18.791 1.00 48.77 N ANISOU 699 NE1 TRP A 92 6205 6246 6080 13 11 -76 N ATOM 700 CE2 TRP A 92 -6.348 1.629 -19.020 1.00 49.46 C ANISOU 700 CE2 TRP A 92 6311 6222 6259 17 150 -75 C ATOM 701 CE3 TRP A 92 -7.975 0.009 -18.233 1.00 50.29 C ANISOU 701 CE3 TRP A 92 6471 6290 6347 72 108 -100 C ATOM 702 CZ2 TRP A 92 -5.776 0.697 -19.893 1.00 50.33 C ANISOU 702 CZ2 TRP A 92 6463 6158 6500 34 25 -36 C ATOM 703 CZ3 TRP A 92 -7.405 -0.912 -19.099 1.00 50.40 C ANISOU 703 CZ3 TRP A 92 6522 6179 6447 59 87 -74 C ATOM 704 CH2 TRP A 92 -6.323 -0.562 -19.920 1.00 49.37 C ANISOU 704 CH2 TRP A 92 6271 6118 6369 -6 25 -65 C ATOM 0 H TRP A 92 -11.195 3.575 -15.561 1.00 41.05 H new ATOM 0 HA TRP A 92 -8.806 4.673 -16.269 1.00 43.60 H new ATOM 0 HB2 TRP A 92 -8.495 2.476 -15.540 1.00 44.94 H new ATOM 0 HB3 TRP A 92 -9.537 1.972 -16.586 1.00 44.94 H new ATOM 0 HD1 TRP A 92 -6.866 4.328 -17.522 1.00 47.99 H new ATOM 0 HE1 TRP A 92 -5.387 3.375 -19.176 1.00 48.77 H new ATOM 0 HE3 TRP A 92 -8.696 -0.228 -17.695 1.00 50.29 H new ATOM 0 HZ2 TRP A 92 -5.054 0.922 -20.434 1.00 50.33 H new ATOM 0 HZ3 TRP A 92 -7.746 -1.776 -19.136 1.00 50.40 H new ATOM 0 HH2 TRP A 92 -5.967 -1.199 -20.497 1.00 49.37 H new ATOM 705 N ASN A 93 -9.724 5.398 -18.435 1.00 45.30 N ANISOU 705 N ASN A 93 5864 5824 5522 -8 -237 125 N ATOM 706 CA ASN A 93 -10.378 5.853 -19.674 1.00 46.29 C ANISOU 706 CA ASN A 93 5974 5928 5683 55 -156 113 C ATOM 707 C ASN A 93 -11.891 5.763 -19.523 1.00 46.44 C ANISOU 707 C ASN A 93 5906 5962 5776 43 -149 93 C ATOM 708 O ASN A 93 -12.553 5.010 -20.252 1.00 47.57 O ANISOU 708 O ASN A 93 6038 6068 5968 24 -137 -7 O ATOM 709 CB ASN A 93 -9.947 4.997 -20.863 1.00 46.44 C ANISOU 709 CB ASN A 93 5956 5938 5749 55 -93 87 C ATOM 710 CG ASN A 93 -8.482 5.143 -21.177 1.00 47.43 C ANISOU 710 CG ASN A 93 6075 6058 5889 22 -82 76 C ATOM 711 OD1 ASN A 93 -7.878 6.247 -20.729 1.00 48.70 O flip ANISOU 711 OD1 ASN A 93 6265 6050 6188 156 -30 92 O ATOM 712 ND2 ASN A 93 -7.902 4.288 -21.833 1.00 47.79 N flip ANISOU 712 ND2 ASN A 93 6153 6082 5922 -196 -168 117 N ATOM 0 H ASN A 93 -9.063 5.884 -18.177 1.00 45.30 H new ATOM 0 HA ASN A 93 -10.113 6.772 -19.834 1.00 46.29 H new ATOM 0 HB2 ASN A 93 -10.143 4.066 -20.675 1.00 46.44 H new ATOM 0 HB3 ASN A 93 -10.468 5.245 -21.642 1.00 46.44 H new ATOM 0 HD21 ASN A 93 -8.327 3.591 -22.103 1.00 47.79 H new ATOM 0 HD22 ASN A 93 -7.069 4.384 -22.024 1.00 47.79 H new ATOM 713 N GLY A 94 -12.412 6.495 -18.542 1.00 46.13 N ANISOU 713 N GLY A 94 5873 5857 5797 101 -123 91 N ATOM 714 CA GLY A 94 -13.852 6.547 -18.226 1.00 46.78 C ANISOU 714 CA GLY A 94 5876 5953 5943 77 -106 120 C ATOM 715 C GLY A 94 -14.591 5.254 -17.935 1.00 46.96 C ANISOU 715 C GLY A 94 5842 6015 5984 65 -91 84 C ATOM 716 O GLY A 94 -15.832 5.250 -17.831 1.00 47.36 O ANISOU 716 O GLY A 94 5852 6174 5966 98 -52 88 O ATOM 0 H GLY A 94 -11.933 6.989 -18.026 1.00 46.13 H new ATOM 0 HA2 GLY A 94 -13.962 7.126 -17.456 1.00 46.78 H new ATOM 0 HA3 GLY A 94 -14.299 6.978 -18.971 1.00 46.78 H new ATOM 717 N GLN A 95 -13.831 4.163 -17.813 1.00 46.10 N ANISOU 717 N GLN A 95 5703 5943 5870 87 -124 97 N ATOM 718 CA GLN A 95 -14.342 2.850 -17.440 1.00 45.20 C ANISOU 718 CA GLN A 95 5616 5889 5667 40 -146 103 C ATOM 719 C GLN A 95 -14.024 2.572 -15.968 1.00 43.72 C ANISOU 719 C GLN A 95 5404 5750 5455 72 -136 144 C ATOM 720 O GLN A 95 -12.846 2.555 -15.584 1.00 44.82 O ANISOU 720 O GLN A 95 5588 5890 5549 118 -191 273 O ATOM 721 CB GLN A 95 -13.692 1.753 -18.297 1.00 45.64 C ANISOU 721 CB GLN A 95 5669 5955 5717 28 -90 61 C ATOM 722 CG GLN A 95 -14.311 1.544 -19.691 1.00 47.36 C ANISOU 722 CG GLN A 95 5948 6122 5924 1 -107 0 C ATOM 723 CD GLN A 95 -13.713 0.334 -20.419 1.00 49.32 C ANISOU 723 CD GLN A 95 6188 6280 6270 -24 21 -91 C ATOM 724 OE1 GLN A 95 -12.519 0.310 -20.737 1.00 52.98 O ANISOU 724 OE1 GLN A 95 6482 6764 6881 31 66 -119 O ATOM 725 NE2 GLN A 95 -14.540 -0.678 -20.673 1.00 51.02 N ANISOU 725 NE2 GLN A 95 6478 6502 6402 -82 -86 -116 N ATOM 0 H GLN A 95 -12.982 4.171 -17.949 1.00 46.10 H new ATOM 0 HA GLN A 95 -15.301 2.845 -17.584 1.00 45.20 H new ATOM 0 HB2 GLN A 95 -12.752 1.965 -18.407 1.00 45.64 H new ATOM 0 HB3 GLN A 95 -13.739 0.915 -17.811 1.00 45.64 H new ATOM 0 HG2 GLN A 95 -15.269 1.424 -19.602 1.00 47.36 H new ATOM 0 HG3 GLN A 95 -14.173 2.341 -20.226 1.00 47.36 H new ATOM 0 HE21 GLN A 95 -15.366 -0.628 -20.438 1.00 51.02 H new ATOM 0 HE22 GLN A 95 -14.249 -1.382 -21.072 1.00 51.02 H new ATOM 726 N PRO A 96 -15.055 2.380 -15.130 1.00 41.92 N ANISOU 726 N PRO A 96 5194 5549 5182 112 -265 193 N ATOM 727 CA PRO A 96 -14.753 1.909 -13.770 1.00 39.94 C ANISOU 727 CA PRO A 96 4951 5268 4957 132 -259 148 C ATOM 728 C PRO A 96 -14.022 0.571 -13.847 1.00 37.63 C ANISOU 728 C PRO A 96 4732 5005 4559 185 -452 126 C ATOM 729 O PRO A 96 -14.370 -0.303 -14.634 1.00 38.38 O ANISOU 729 O PRO A 96 4812 5019 4751 141 -585 116 O ATOM 730 CB PRO A 96 -16.133 1.720 -13.135 1.00 40.47 C ANISOU 730 CB PRO A 96 4965 5382 5029 78 -278 168 C ATOM 731 CG PRO A 96 -17.137 1.750 -14.336 1.00 42.09 C ANISOU 731 CG PRO A 96 5169 5629 5191 16 -275 177 C ATOM 732 CD PRO A 96 -16.493 2.631 -15.347 1.00 42.01 C ANISOU 732 CD PRO A 96 5162 5507 5290 60 -205 192 C ATOM 0 HA PRO A 96 -14.190 2.518 -13.268 1.00 39.94 H new ATOM 0 HB2 PRO A 96 -16.186 0.880 -12.653 1.00 40.47 H new ATOM 0 HB3 PRO A 96 -16.326 2.425 -12.498 1.00 40.47 H new ATOM 0 HG2 PRO A 96 -17.289 0.860 -14.690 1.00 42.09 H new ATOM 0 HG3 PRO A 96 -18.001 2.098 -14.064 1.00 42.09 H new ATOM 0 HD2 PRO A 96 -16.766 2.403 -16.249 1.00 42.01 H new ATOM 0 HD3 PRO A 96 -16.721 3.564 -15.209 1.00 42.01 H new ATOM 733 N CYS A 97 -12.972 0.403 -13.053 1.00 34.71 N ANISOU 733 N CYS A 97 4433 4621 4134 269 -515 112 N ATOM 734 CA ACYS A 97 -12.400 -0.923 -12.936 0.60 32.42 C ANISOU 734 CA ACYS A 97 4044 4405 3869 311 -537 118 C ATOM 735 CA BCYS A 97 -12.268 -0.865 -12.954 0.40 32.17 C ANISOU 735 CA BCYS A 97 4027 4401 3792 323 -521 131 C ATOM 736 C CYS A 97 -12.051 -1.150 -11.490 1.00 30.09 C ANISOU 736 C CYS A 97 3718 4104 3610 385 -582 33 C ATOM 737 O CYS A 97 -12.122 -0.241 -10.677 1.00 29.25 O ANISOU 737 O CYS A 97 3329 4125 3658 772 -715 157 O ATOM 738 CB ACYS A 97 -11.182 -1.083 -13.833 0.60 33.37 C ANISOU 738 CB ACYS A 97 4296 4431 3950 251 -465 97 C ATOM 739 CB BCYS A 97 -10.896 -0.763 -13.605 0.40 32.59 C ANISOU 739 CB BCYS A 97 4151 4392 3838 227 -469 154 C ATOM 740 SG ACYS A 97 -9.975 0.212 -13.656 0.60 39.14 S ANISOU 740 SG ACYS A 97 4866 5033 4971 -80 -648 124 S ATOM 741 SG BCYS A 97 -10.897 -0.221 -15.297 0.40 34.76 S ANISOU 741 SG BCYS A 97 4453 4932 3819 196 -748 272 S ATOM 0 H ACYS A 97 -12.590 1.020 -12.591 0.60 34.71 H new ATOM 0 H BCYS A 97 -12.648 1.025 -12.555 0.40 34.71 H new ATOM 0 HA ACYS A 97 -13.043 -1.588 -13.229 0.60 32.17 H new ATOM 0 HA BCYS A 97 -12.786 -1.558 -13.393 0.40 32.17 H new ATOM 0 HB2ACYS A 97 -10.759 -1.934 -13.640 0.60 32.59 H new ATOM 0 HB2BCYS A 97 -10.352 -0.151 -13.085 0.40 32.59 H new ATOM 0 HB3ACYS A 97 -11.475 -1.115 -14.757 0.60 32.59 H new ATOM 0 HB3BCYS A 97 -10.467 -1.632 -13.559 0.40 32.59 H new ATOM 0 HG ACYS A 97 -9.526 0.191 -12.544 0.60 34.76 H new ATOM 0 HG BCYS A 97 -11.584 0.757 -15.404 0.40 34.76 H new ATOM 742 N ALA A 98 -11.725 -2.391 -11.178 1.00 26.31 N ANISOU 742 N ALA A 98 3086 3811 3099 436 -790 89 N ATOM 743 CA ALA A 98 -11.308 -2.719 -9.807 1.00 23.34 C ANISOU 743 CA ALA A 98 2580 3488 2797 552 -836 -45 C ATOM 744 C ALA A 98 -10.071 -3.582 -9.899 1.00 23.02 C ANISOU 744 C ALA A 98 2479 3437 2829 398 -701 -163 C ATOM 745 O ALA A 98 -9.924 -4.372 -10.792 1.00 24.63 O ANISOU 745 O ALA A 98 2779 3650 2927 599 -1145 -342 O ATOM 746 CB ALA A 98 -12.388 -3.493 -9.122 1.00 26.03 C ANISOU 746 CB ALA A 98 3196 3676 3018 364 -653 -13 C ATOM 0 H ALA A 98 -11.734 -3.054 -11.726 1.00 26.31 H new ATOM 0 HA ALA A 98 -11.132 -1.908 -9.305 1.00 23.34 H new ATOM 0 HB1 ALA A 98 -12.109 -3.707 -8.218 1.00 26.03 H new ATOM 0 HB2 ALA A 98 -13.199 -2.961 -9.092 1.00 26.03 H new ATOM 0 HB3 ALA A 98 -12.558 -4.314 -9.611 1.00 26.03 H new ATOM 747 N LEU A 99 -9.202 -3.462 -8.913 1.00 20.68 N ANISOU 747 N LEU A 99 2458 2793 2606 223 -733 -78 N ATOM 748 CA LEU A 99 -8.018 -4.298 -8.810 1.00 19.25 C ANISOU 748 CA LEU A 99 2037 2757 2517 296 -477 59 C ATOM 749 C LEU A 99 -7.978 -4.929 -7.434 1.00 15.87 C ANISOU 749 C LEU A 99 1307 2464 2257 435 -569 -78 C ATOM 750 O LEU A 99 -8.047 -4.231 -6.447 1.00 18.76 O ANISOU 750 O LEU A 99 2075 2554 2496 427 -494 -97 O ATOM 751 CB LEU A 99 -6.800 -3.397 -8.963 1.00 20.68 C ANISOU 751 CB LEU A 99 2446 2658 2752 232 -366 177 C ATOM 752 CG LEU A 99 -5.439 -4.137 -8.910 1.00 19.94 C ANISOU 752 CG LEU A 99 2177 2759 2639 19 -199 129 C ATOM 753 CD1 LEU A 99 -5.310 -5.155 -10.073 1.00 23.67 C ANISOU 753 CD1 LEU A 99 2450 2959 3581 119 149 -211 C ATOM 754 CD2 LEU A 99 -4.349 -3.091 -8.949 1.00 22.54 C ANISOU 754 CD2 LEU A 99 2322 2951 3290 -241 -258 -65 C ATOM 0 H LEU A 99 -9.281 -2.888 -8.277 1.00 20.68 H new ATOM 0 HA LEU A 99 -8.029 -4.990 -9.490 1.00 19.25 H new ATOM 0 HB2 LEU A 99 -6.866 -2.925 -9.808 1.00 20.68 H new ATOM 0 HB3 LEU A 99 -6.818 -2.727 -8.262 1.00 20.68 H new ATOM 0 HG LEU A 99 -5.365 -4.655 -8.093 1.00 19.94 H new ATOM 0 HD11 LEU A 99 -4.452 -5.603 -10.017 1.00 23.67 H new ATOM 0 HD12 LEU A 99 -6.022 -5.811 -10.010 1.00 23.67 H new ATOM 0 HD13 LEU A 99 -5.376 -4.688 -10.921 1.00 23.67 H new ATOM 0 HD21 LEU A 99 -3.482 -3.525 -8.917 1.00 22.54 H new ATOM 0 HD22 LEU A 99 -4.423 -2.577 -9.768 1.00 22.54 H new ATOM 0 HD23 LEU A 99 -4.441 -2.498 -8.187 1.00 22.54 H new ATOM 755 N ASP A 100 -7.802 -6.237 -7.393 1.00 17.29 N ANISOU 755 N ASP A 100 1932 2433 2201 59 -503 66 N ATOM 756 CA ASP A 100 -7.624 -6.957 -6.124 1.00 15.83 C ANISOU 756 CA ASP A 100 1301 2373 2340 266 -359 -59 C ATOM 757 C ASP A 100 -6.122 -7.148 -5.837 1.00 15.00 C ANISOU 757 C ASP A 100 1293 2252 2152 290 -254 -130 C ATOM 758 O ASP A 100 -5.390 -7.636 -6.673 1.00 17.49 O ANISOU 758 O ASP A 100 1816 2751 2077 288 -467 -311 O ATOM 759 CB ASP A 100 -8.304 -8.328 -6.248 1.00 17.67 C ANISOU 759 CB ASP A 100 1531 2460 2719 207 -419 16 C ATOM 760 CG ASP A 100 -9.805 -8.235 -6.375 1.00 21.19 C ANISOU 760 CG ASP A 100 2026 3144 2877 -94 -147 -224 C ATOM 761 OD1 ASP A 100 -10.415 -7.528 -5.543 1.00 22.75 O ANISOU 761 OD1 ASP A 100 1245 3673 3723 182 -470 -322 O ATOM 762 OD2 ASP A 100 -10.323 -8.921 -7.292 1.00 25.32 O ANISOU 762 OD2 ASP A 100 2605 3602 3411 -305 -745 -517 O ATOM 0 H ASP A 100 -7.781 -6.739 -8.091 1.00 17.29 H new ATOM 0 HA ASP A 100 -8.018 -6.451 -5.396 1.00 15.83 H new ATOM 0 HB2 ASP A 100 -7.947 -8.791 -7.022 1.00 17.67 H new ATOM 0 HB3 ASP A 100 -8.083 -8.864 -5.470 1.00 17.67 H new ATOM 763 N VAL A 101 -5.759 -6.724 -4.634 1.00 14.52 N ANISOU 763 N VAL A 101 1222 2243 2050 -55 -384 -173 N ATOM 764 CA VAL A 101 -4.341 -6.652 -4.298 1.00 14.19 C ANISOU 764 CA VAL A 101 1217 2069 2106 23 -378 -118 C ATOM 765 C VAL A 101 -4.103 -7.248 -2.949 1.00 13.45 C ANISOU 765 C VAL A 101 1311 1905 1894 -120 -171 -96 C ATOM 766 O VAL A 101 -4.990 -7.214 -2.077 1.00 13.64 O ANISOU 766 O VAL A 101 927 2281 1973 -181 -281 -219 O ATOM 767 CB VAL A 101 -3.902 -5.153 -4.239 1.00 15.84 C ANISOU 767 CB VAL A 101 1443 2325 2251 -198 -342 1 C ATOM 768 CG1 VAL A 101 -2.411 -4.988 -3.920 1.00 16.61 C ANISOU 768 CG1 VAL A 101 955 2798 2557 -27 -536 41 C ATOM 769 CG2 VAL A 101 -4.244 -4.464 -5.551 1.00 16.26 C ANISOU 769 CG2 VAL A 101 1008 2824 2346 -35 -757 29 C ATOM 0 H VAL A 101 -6.300 -6.479 -4.012 1.00 14.52 H new ATOM 0 HA VAL A 101 -3.837 -7.136 -4.971 1.00 14.19 H new ATOM 0 HB VAL A 101 -4.391 -4.735 -3.513 1.00 15.84 H new ATOM 0 HG11 VAL A 101 -2.188 -4.044 -3.894 1.00 16.61 H new ATOM 0 HG12 VAL A 101 -2.218 -5.389 -3.058 1.00 16.61 H new ATOM 0 HG13 VAL A 101 -1.883 -5.426 -4.605 1.00 16.61 H new ATOM 0 HG21 VAL A 101 -3.970 -3.534 -5.510 1.00 16.26 H new ATOM 0 HG22 VAL A 101 -3.780 -4.906 -6.279 1.00 16.26 H new ATOM 0 HG23 VAL A 101 -5.201 -4.512 -5.702 1.00 16.26 H new ATOM 770 N ILE A 102 -2.912 -7.831 -2.731 1.00 13.24 N ANISOU 770 N ILE A 102 986 2006 2039 -31 -269 -227 N ATOM 771 CA ILE A 102 -2.440 -8.106 -1.342 1.00 12.50 C ANISOU 771 CA ILE A 102 839 1956 1954 -211 -215 -209 C ATOM 772 C ILE A 102 -1.148 -7.342 -1.123 1.00 12.87 C ANISOU 772 C ILE A 102 1006 2158 1725 -306 -179 -17 C ATOM 773 O ILE A 102 -0.230 -7.454 -1.965 1.00 13.90 O ANISOU 773 O ILE A 102 1047 2353 1880 -194 -80 -105 O ATOM 774 CB ILE A 102 -2.185 -9.611 -1.113 1.00 12.30 C ANISOU 774 CB ILE A 102 520 2097 2054 -8 15 14 C ATOM 775 CG1 ILE A 102 -3.557 -10.260 -0.918 1.00 14.67 C ANISOU 775 CG1 ILE A 102 1201 1960 2411 92 149 -212 C ATOM 776 CG2 ILE A 102 -1.357 -9.867 0.111 1.00 14.37 C ANISOU 776 CG2 ILE A 102 1272 2254 1933 25 -220 -99 C ATOM 777 CD1 ILE A 102 -3.582 -11.743 -0.847 1.00 14.39 C ANISOU 777 CD1 ILE A 102 990 1982 2494 -117 -267 -259 C ATOM 0 H ILE A 102 -2.368 -8.073 -3.352 1.00 13.24 H new ATOM 0 HA ILE A 102 -3.126 -7.825 -0.717 1.00 12.50 H new ATOM 0 HB ILE A 102 -1.699 -9.973 -1.871 1.00 12.30 H new ATOM 0 HG12 ILE A 102 -3.946 -9.910 -0.101 1.00 14.67 H new ATOM 0 HG13 ILE A 102 -4.132 -9.981 -1.648 1.00 14.67 H new ATOM 0 HG21 ILE A 102 -1.222 -10.822 0.216 1.00 14.37 H new ATOM 0 HG22 ILE A 102 -0.497 -9.427 0.018 1.00 14.37 H new ATOM 0 HG23 ILE A 102 -1.816 -9.518 0.891 1.00 14.37 H new ATOM 0 HD11 ILE A 102 -4.495 -12.046 -0.723 1.00 14.39 H new ATOM 0 HD12 ILE A 102 -3.228 -12.113 -1.671 1.00 14.39 H new ATOM 0 HD13 ILE A 102 -3.039 -12.041 -0.100 1.00 14.39 H new ATOM 778 N ASP A 103 -1.115 -6.529 -0.079 1.00 12.96 N ANISOU 778 N ASP A 103 1096 1998 1828 -252 -228 -248 N ATOM 779 CA ASP A 103 0.148 -5.882 0.245 1.00 14.21 C ANISOU 779 CA ASP A 103 1302 2174 1923 -276 -120 -153 C ATOM 780 C ASP A 103 0.762 -6.587 1.467 1.00 12.70 C ANISOU 780 C ASP A 103 851 2146 1826 -180 -71 -225 C ATOM 781 O ASP A 103 0.042 -6.919 2.420 1.00 14.54 O ANISOU 781 O ASP A 103 1022 2497 2005 -243 103 -41 O ATOM 782 CB ASP A 103 -0.127 -4.442 0.710 1.00 14.88 C ANISOU 782 CB ASP A 103 1029 2351 2273 -316 -405 -132 C ATOM 783 CG ASP A 103 -0.305 -3.462 -0.429 1.00 16.68 C ANISOU 783 CG ASP A 103 1061 2753 2521 -330 115 -145 C ATOM 784 OD1 ASP A 103 -0.187 -3.829 -1.596 1.00 18.97 O ANISOU 784 OD1 ASP A 103 2042 2732 2430 -139 -59 0 O ATOM 785 OD2 ASP A 103 -0.556 -2.298 -0.116 1.00 19.21 O ANISOU 785 OD2 ASP A 103 2178 2294 2828 -274 -310 -174 O ATOM 0 H ASP A 103 -1.779 -6.343 0.435 1.00 12.96 H new ATOM 0 HA ASP A 103 0.725 -5.912 -0.534 1.00 14.21 H new ATOM 0 HB2 ASP A 103 -0.925 -4.435 1.261 1.00 14.88 H new ATOM 0 HB3 ASP A 103 0.607 -4.145 1.270 1.00 14.88 H new ATOM 786 N VAL A 104 2.107 -6.745 1.373 1.00 13.71 N ANISOU 786 N VAL A 104 875 2194 2139 -240 25 -33 N ATOM 787 CA VAL A 104 2.867 -7.198 2.539 1.00 13.87 C ANISOU 787 CA VAL A 104 949 2053 2267 -311 53 -100 C ATOM 788 C VAL A 104 3.734 -6.013 2.945 1.00 14.15 C ANISOU 788 C VAL A 104 1102 2146 2126 -298 -63 -37 C ATOM 789 O VAL A 104 4.440 -5.443 2.102 1.00 15.70 O ANISOU 789 O VAL A 104 1147 2489 2327 -524 163 5 O ATOM 790 CB VAL A 104 3.709 -8.438 2.199 1.00 16.98 C ANISOU 790 CB VAL A 104 1682 2147 2622 -230 62 -182 C ATOM 791 CG1 VAL A 104 4.525 -8.851 3.423 1.00 21.00 C ANISOU 791 CG1 VAL A 104 2592 2568 2817 102 -220 197 C ATOM 792 CG2 VAL A 104 2.776 -9.574 1.734 1.00 19.78 C ANISOU 792 CG2 VAL A 104 1933 2103 3478 -288 233 -134 C ATOM 0 H VAL A 104 2.572 -6.598 0.665 1.00 13.71 H new ATOM 0 HA VAL A 104 2.287 -7.470 3.268 1.00 13.87 H new ATOM 0 HB VAL A 104 4.327 -8.238 1.479 1.00 16.98 H new ATOM 0 HG11 VAL A 104 5.057 -9.634 3.209 1.00 21.00 H new ATOM 0 HG12 VAL A 104 5.112 -8.123 3.682 1.00 21.00 H new ATOM 0 HG13 VAL A 104 3.926 -9.059 4.157 1.00 21.00 H new ATOM 0 HG21 VAL A 104 3.304 -10.359 1.518 1.00 19.78 H new ATOM 0 HG22 VAL A 104 2.151 -9.790 2.443 1.00 19.78 H new ATOM 0 HG23 VAL A 104 2.286 -9.289 0.947 1.00 19.78 H new ATOM 793 N AMET A 105 3.661 -5.599 4.212 0.40 14.49 N ANISOU 793 N AMET A 105 1124 2118 2261 -241 -142 -121 N ATOM 794 N BMET A 105 3.730 -5.711 4.224 0.60 14.11 N ANISOU 794 N BMET A 105 1152 2014 2194 -155 -136 -57 N ATOM 795 CA AMET A 105 4.473 -4.452 4.754 0.40 15.27 C ANISOU 795 CA AMET A 105 1314 2171 2317 -252 -203 -35 C ATOM 796 CA BMET A 105 4.566 -4.597 4.704 0.60 14.55 C ANISOU 796 CA BMET A 105 1267 2093 2166 -134 -189 36 C ATOM 797 C AMET A 105 5.334 -4.912 5.895 0.40 15.94 C ANISOU 797 C AMET A 105 1409 2261 2385 -322 -287 -36 C ATOM 798 C BMET A 105 5.412 -5.077 5.830 0.60 15.61 C ANISOU 798 C BMET A 105 1391 2214 2326 -238 -269 10 C ATOM 799 O AMET A 105 4.850 -5.573 6.821 0.40 15.19 O ANISOU 799 O AMET A 105 1113 2451 2207 -437 -404 -50 O ATOM 800 O BMET A 105 5.008 -5.937 6.632 0.60 16.60 O ANISOU 800 O BMET A 105 1275 2548 2483 -359 -403 91 O ATOM 801 CB AMET A 105 3.570 -3.343 5.366 0.40 16.74 C ANISOU 801 CB AMET A 105 1621 2367 2370 -44 -134 -86 C ATOM 802 CB BMET A 105 3.654 -3.438 5.180 0.60 16.43 C ANISOU 802 CB BMET A 105 1684 2262 2295 70 -188 45 C ATOM 803 CG AMET A 105 3.043 -2.275 4.440 0.40 17.34 C ANISOU 803 CG AMET A 105 1089 2502 2995 -11 -145 -31 C ATOM 804 CG BMET A 105 2.815 -2.855 4.078 0.60 13.20 C ANISOU 804 CG BMET A 105 350 2323 2341 267 -32 5 C ATOM 805 SD AMET A 105 1.767 -3.017 3.482 0.40 18.58 S ANISOU 805 SD AMET A 105 1562 2701 2795 -324 -272 -181 S ATOM 806 SD BMET A 105 1.740 -1.494 4.689 0.60 17.13 S ANISOU 806 SD BMET A 105 1656 2349 2504 -7 -9 -127 S ATOM 807 CE AMET A 105 0.841 -1.573 2.992 0.40 17.60 C ANISOU 807 CE AMET A 105 1189 2273 3225 197 -460 -275 C ATOM 808 CE BMET A 105 1.242 -0.806 3.070 0.60 17.10 C ANISOU 808 CE BMET A 105 1793 2019 2686 156 -179 10 C ATOM 0 H AMET A 105 3.145 -5.963 4.796 0.40 14.11 H new ATOM 0 H BMET A 105 3.270 -6.116 4.827 0.60 14.11 H new ATOM 0 HA AMET A 105 4.989 -4.117 4.004 0.40 14.55 H new ATOM 0 HA BMET A 105 5.136 -4.276 3.988 0.60 14.55 H new ATOM 0 HB2AMET A 105 2.810 -3.775 5.786 0.40 16.43 H new ATOM 0 HB2BMET A 105 3.072 -3.761 5.886 0.60 16.43 H new ATOM 0 HB3AMET A 105 4.072 -2.905 6.071 0.40 16.43 H new ATOM 0 HB3BMET A 105 4.204 -2.738 5.565 0.60 16.43 H new ATOM 0 HG2AMET A 105 2.700 -1.521 4.945 0.40 13.20 H new ATOM 0 HG2BMET A 105 3.392 -2.520 3.374 0.60 13.20 H new ATOM 0 HG3AMET A 105 3.750 -1.936 3.868 0.40 13.20 H new ATOM 0 HG3BMET A 105 2.265 -3.552 3.687 0.60 13.20 H new ATOM 0 HE1AMET A 105 0.087 -1.842 2.444 0.40 17.10 H new ATOM 0 HE1BMET A 105 0.425 -0.294 3.173 0.60 17.10 H new ATOM 0 HE2AMET A 105 0.517 -1.112 3.782 0.40 17.10 H new ATOM 0 HE2BMET A 105 1.945 -0.228 2.734 0.60 17.10 H new ATOM 0 HE3AMET A 105 1.414 -0.978 2.483 0.40 17.10 H new ATOM 0 HE3BMET A 105 1.092 -1.530 2.443 0.60 17.10 H new ATOM 809 N ARG A 106 6.581 -4.453 5.862 1.00 16.60 N ANISOU 809 N ARG A 106 1273 2395 2636 -246 -518 110 N ATOM 810 CA ARG A 106 7.488 -4.610 6.995 1.00 17.39 C ANISOU 810 CA ARG A 106 1120 2522 2965 -111 -544 114 C ATOM 811 C ARG A 106 7.717 -3.253 7.601 1.00 17.30 C ANISOU 811 C ARG A 106 1346 2432 2793 -162 -596 153 C ATOM 812 O ARG A 106 8.068 -2.322 6.866 1.00 17.37 O ANISOU 812 O ARG A 106 1273 2426 2897 -446 -645 289 O ATOM 813 CB ARG A 106 8.817 -5.170 6.564 1.00 18.99 C ANISOU 813 CB ARG A 106 879 2778 3557 91 -347 120 C ATOM 814 CG ARG A 106 9.846 -5.366 7.728 1.00 23.70 C ANISOU 814 CG ARG A 106 1522 3574 3907 32 -396 185 C ATOM 815 CD ARG A 106 11.220 -5.993 7.459 1.00 28.16 C ANISOU 815 CD ARG A 106 1755 4189 4754 426 -453 9 C ATOM 816 NE ARG A 106 11.834 -6.379 8.733 1.00 40.96 N ANISOU 816 NE ARG A 106 5010 5424 5126 232 -323 283 N ATOM 817 CZ ARG A 106 12.992 -7.033 8.869 1.00 43.86 C ANISOU 817 CZ ARG A 106 5199 5800 5662 321 -155 114 C ATOM 818 NH1 ARG A 106 13.699 -7.401 7.808 1.00 47.67 N ANISOU 818 NH1 ARG A 106 5894 6276 5941 49 129 122 N ATOM 819 NH2 ARG A 106 13.442 -7.328 10.082 1.00 47.46 N ANISOU 819 NH2 ARG A 106 6102 6054 5876 145 -170 108 N ATOM 0 H AARG A 106 6.924 -4.044 5.187 0.40 16.60 H new ATOM 0 H BARG A 106 6.870 -3.934 5.240 0.60 16.60 H new ATOM 0 HA ARG A 106 7.089 -5.225 7.631 1.00 17.39 H new ATOM 0 HB2 ARG A 106 8.670 -6.025 6.130 1.00 18.99 H new ATOM 0 HB3 ARG A 106 9.205 -4.578 5.901 1.00 18.99 H new ATOM 0 HG2 ARG A 106 10.002 -4.493 8.121 1.00 23.70 H new ATOM 0 HG3 ARG A 106 9.412 -5.909 8.405 1.00 23.70 H new ATOM 0 HD2 ARG A 106 11.126 -6.769 6.885 1.00 28.16 H new ATOM 0 HD3 ARG A 106 11.789 -5.362 6.992 1.00 28.16 H new ATOM 0 HE ARG A 106 11.414 -6.167 9.453 1.00 40.96 H new ATOM 0 HH11 ARG A 106 13.414 -7.219 7.017 1.00 47.67 H new ATOM 0 HH12 ARG A 106 14.442 -7.821 7.911 1.00 47.67 H new ATOM 0 HH21 ARG A 106 12.989 -7.099 10.776 1.00 47.46 H new ATOM 0 HH22 ARG A 106 14.186 -7.749 10.174 1.00 47.46 H new ATOM 820 N PHE A 107 7.439 -3.150 8.911 1.00 19.10 N ANISOU 820 N PHE A 107 1943 2512 2801 -431 -547 219 N ATOM 821 CA PHE A 107 7.579 -1.893 9.634 1.00 20.71 C ANISOU 821 CA PHE A 107 2329 2727 2810 -242 -696 19 C ATOM 822 C PHE A 107 8.887 -1.869 10.370 1.00 23.14 C ANISOU 822 C PHE A 107 2569 2825 3397 -416 -889 123 C ATOM 823 O PHE A 107 9.453 -2.918 10.676 1.00 25.68 O ANISOU 823 O PHE A 107 2773 3253 3730 -342 -1266 156 O ATOM 824 CB PHE A 107 6.431 -1.687 10.618 1.00 20.48 C ANISOU 824 CB PHE A 107 2472 2666 2641 -238 -703 -7 C ATOM 825 CG PHE A 107 5.117 -1.503 9.929 1.00 18.97 C ANISOU 825 CG PHE A 107 2138 2547 2522 -496 -424 48 C ATOM 826 CD1 PHE A 107 4.367 -2.634 9.566 1.00 19.40 C ANISOU 826 CD1 PHE A 107 1953 2924 2493 -706 -249 -106 C ATOM 827 CD2 PHE A 107 4.643 -0.263 9.657 1.00 20.11 C ANISOU 827 CD2 PHE A 107 2259 2823 2555 -540 -380 64 C ATOM 828 CE1 PHE A 107 3.176 -2.415 8.886 1.00 18.62 C ANISOU 828 CE1 PHE A 107 1999 2715 2359 -337 -101 -123 C ATOM 829 CE2 PHE A 107 3.481 -0.040 9.006 1.00 19.90 C ANISOU 829 CE2 PHE A 107 1761 2907 2891 -428 -26 -182 C ATOM 830 CZ PHE A 107 2.706 -1.157 8.629 1.00 19.23 C ANISOU 830 CZ PHE A 107 1874 3037 2394 -616 229 89 C ATOM 0 H PHE A 107 7.166 -3.807 9.395 1.00 19.10 H new ATOM 0 HA PHE A 107 7.556 -1.171 8.986 1.00 20.71 H new ATOM 0 HB2 PHE A 107 6.377 -2.451 11.213 1.00 20.48 H new ATOM 0 HB3 PHE A 107 6.616 -0.911 11.169 1.00 20.48 H new ATOM 0 HD1 PHE A 107 4.656 -3.494 9.772 1.00 19.40 H new ATOM 0 HD2 PHE A 107 5.143 0.471 9.932 1.00 20.11 H new ATOM 0 HE1 PHE A 107 2.682 -3.148 8.596 1.00 18.62 H new ATOM 0 HE2 PHE A 107 3.200 0.825 8.812 1.00 19.90 H new ATOM 0 HZ PHE A 107 1.884 -1.039 8.210 1.00 19.23 H new ATOM 831 N ASP A 108 9.394 -0.657 10.566 1.00 23.56 N ANISOU 831 N ASP A 108 2530 3029 3390 -438 -1184 106 N ATOM 832 CA ASP A 108 10.646 -0.481 11.338 1.00 25.46 C ANISOU 832 CA ASP A 108 2564 3491 3619 -419 -993 123 C ATOM 833 C ASP A 108 10.299 -0.146 12.729 1.00 26.94 C ANISOU 833 C ASP A 108 2724 3857 3653 -256 -1066 249 C ATOM 834 O ASP A 108 9.146 -0.105 13.151 1.00 28.18 O ANISOU 834 O ASP A 108 3205 3880 3620 -415 -978 279 O ATOM 835 CB ASP A 108 11.438 0.597 10.620 1.00 25.21 C ANISOU 835 CB ASP A 108 2327 3511 3740 -448 -849 132 C ATOM 836 CG ASP A 108 10.903 2.024 10.812 1.00 25.26 C ANISOU 836 CG ASP A 108 2533 3619 3445 -397 -653 -58 C ATOM 837 OD1 ASP A 108 10.065 2.342 11.663 1.00 26.34 O ANISOU 837 OD1 ASP A 108 2995 3701 3311 -320 -824 -68 O ATOM 838 OD2 ASP A 108 11.432 2.892 10.076 1.00 29.86 O ANISOU 838 OD2 ASP A 108 3112 3785 4446 -523 -520 418 O ATOM 0 H ASP A 108 9.044 0.071 10.271 1.00 23.56 H new ATOM 0 HA ASP A 108 11.192 -1.281 11.386 1.00 25.46 H new ATOM 0 HB2 ASP A 108 12.357 0.565 10.929 1.00 25.21 H new ATOM 0 HB3 ASP A 108 11.450 0.394 9.671 1.00 25.21 H new ATOM 839 N GLU A 109 11.375 0.133 13.487 1.00 30.56 N ANISOU 839 N GLU A 109 3313 4309 3990 -339 -1157 126 N ATOM 840 CA GLU A 109 11.287 0.382 14.873 1.00 34.64 C ANISOU 840 CA GLU A 109 4193 4689 4278 -107 -652 102 C ATOM 841 C GLU A 109 10.474 1.587 15.280 1.00 35.92 C ANISOU 841 C GLU A 109 4478 4894 4275 -94 -561 85 C ATOM 842 O GLU A 109 10.144 1.685 16.434 1.00 38.65 O ANISOU 842 O GLU A 109 4998 5236 4448 79 -395 208 O ATOM 843 CB GLU A 109 12.742 0.504 15.438 1.00 35.82 C ANISOU 843 CB GLU A 109 4292 4859 4457 -179 -769 72 C ATOM 844 CG GLU A 109 13.715 1.341 14.530 1.00 41.47 C ANISOU 844 CG GLU A 109 4896 5454 5406 -91 -277 78 C ATOM 845 CD GLU A 109 14.150 0.670 13.192 1.00 48.22 C ANISOU 845 CD GLU A 109 6019 6204 6097 -39 -108 -33 C ATOM 846 OE1 GLU A 109 13.997 -0.573 13.019 1.00 50.26 O ANISOU 846 OE1 GLU A 109 6020 6332 6743 -201 -233 -37 O ATOM 847 OE2 GLU A 109 14.672 1.400 12.299 1.00 51.50 O ANISOU 847 OE2 GLU A 109 6281 6682 6602 -184 -96 106 O ATOM 0 H GLU A 109 12.175 0.176 13.175 1.00 30.56 H new ATOM 0 HA GLU A 109 10.801 -0.368 15.250 1.00 34.64 H new ATOM 0 HB2 GLU A 109 12.704 0.912 16.317 1.00 35.82 H new ATOM 0 HB3 GLU A 109 13.109 -0.386 15.554 1.00 35.82 H new ATOM 0 HG2 GLU A 109 13.288 2.187 14.323 1.00 41.47 H new ATOM 0 HG3 GLU A 109 14.513 1.544 15.043 1.00 41.47 H new ATOM 848 N HIS A 110 10.230 2.539 14.368 1.00 34.75 N ANISOU 848 N HIS A 110 4546 4662 3992 -68 -666 35 N ATOM 849 CA HIS A 110 9.411 3.716 14.632 1.00 35.27 C ANISOU 849 CA HIS A 110 4681 4683 4035 -117 -427 -17 C ATOM 850 C HIS A 110 7.987 3.564 14.114 1.00 33.41 C ANISOU 850 C HIS A 110 4521 4347 3825 -101 -326 9 C ATOM 851 O HIS A 110 7.175 4.488 14.149 1.00 34.84 O ANISOU 851 O HIS A 110 4731 4608 3897 -116 -325 -145 O ATOM 852 CB HIS A 110 10.088 4.922 13.978 1.00 36.49 C ANISOU 852 CB HIS A 110 4837 4787 4241 -100 -397 4 C ATOM 853 CG HIS A 110 11.554 4.980 14.241 1.00 40.79 C ANISOU 853 CG HIS A 110 5235 5188 5076 -10 -165 2 C ATOM 854 ND1 HIS A 110 12.490 4.908 13.235 1.00 44.63 N ANISOU 854 ND1 HIS A 110 5553 5956 5448 -34 -9 -22 N ATOM 855 CD2 HIS A 110 12.248 5.057 15.397 1.00 42.93 C ANISOU 855 CD2 HIS A 110 5538 5489 5284 -68 -194 -34 C ATOM 856 CE1 HIS A 110 13.700 4.955 13.758 1.00 45.49 C ANISOU 856 CE1 HIS A 110 5752 6022 5508 -55 -148 -46 C ATOM 857 NE2 HIS A 110 13.580 5.045 15.069 1.00 45.35 N ANISOU 857 NE2 HIS A 110 5771 5975 5482 -27 -31 -31 N ATOM 0 H HIS A 110 10.544 2.512 13.568 1.00 34.75 H new ATOM 0 HA HIS A 110 9.341 3.836 15.592 1.00 35.27 H new ATOM 0 HB2 HIS A 110 9.937 4.891 13.020 1.00 36.49 H new ATOM 0 HB3 HIS A 110 9.673 5.736 14.305 1.00 36.49 H new ATOM 0 HD2 HIS A 110 11.890 5.108 16.254 1.00 42.93 H new ATOM 0 HE1 HIS A 110 14.500 4.929 13.284 1.00 45.49 H new ATOM 0 HE2 HIS A 110 14.232 5.089 15.628 1.00 45.35 H new ATOM 858 N GLY A 111 7.671 2.382 13.634 1.00 30.38 N ANISOU 858 N GLY A 111 4185 4161 3194 -242 -284 31 N ATOM 859 CA GLY A 111 6.342 2.163 13.126 1.00 28.30 C ANISOU 859 CA GLY A 111 3758 3785 3208 -176 -183 83 C ATOM 860 C GLY A 111 6.169 2.723 11.714 1.00 23.77 C ANISOU 860 C GLY A 111 3172 3247 2611 -258 -125 -13 C ATOM 861 O GLY A 111 5.071 3.039 11.318 1.00 26.21 O ANISOU 861 O GLY A 111 3424 3454 3079 -331 -21 -2 O ATOM 0 H GLY A 111 8.200 1.705 13.593 1.00 30.38 H new ATOM 0 HA2 GLY A 111 6.151 1.212 13.122 1.00 28.30 H new ATOM 0 HA3 GLY A 111 5.697 2.579 13.719 1.00 28.30 H new ATOM 862 N ARG A 112 7.241 2.908 10.959 1.00 20.65 N ANISOU 862 N ARG A 112 2566 2854 2422 -432 -443 -269 N ATOM 863 CA ARG A 112 7.093 3.336 9.575 1.00 19.73 C ANISOU 863 CA ARG A 112 2251 2573 2670 -339 -390 -129 C ATOM 864 C ARG A 112 7.301 2.185 8.642 1.00 19.46 C ANISOU 864 C ARG A 112 2180 2562 2651 -429 -339 -98 C ATOM 865 O ARG A 112 7.964 1.191 9.002 1.00 18.82 O ANISOU 865 O ARG A 112 1789 2605 2757 -302 -575 1 O ATOM 866 CB ARG A 112 8.062 4.451 9.301 1.00 21.88 C ANISOU 866 CB ARG A 112 2777 2753 2782 -313 -347 -42 C ATOM 867 CG ARG A 112 7.731 5.684 10.153 1.00 27.96 C ANISOU 867 CG ARG A 112 3938 3332 3351 -470 -183 -409 C ATOM 868 CD ARG A 112 8.462 6.892 9.683 1.00 35.74 C ANISOU 868 CD ARG A 112 4958 4038 4584 -322 35 -83 C ATOM 869 NE ARG A 112 8.276 8.000 10.643 1.00 41.39 N ANISOU 869 NE ARG A 112 5569 4731 5426 0 194 -315 N ATOM 870 CZ ARG A 112 7.122 8.648 10.826 1.00 41.76 C ANISOU 870 CZ ARG A 112 5294 5030 5542 76 -7 -69 C ATOM 871 NH1 ARG A 112 6.017 8.290 10.169 1.00 41.89 N ANISOU 871 NH1 ARG A 112 5981 5023 4910 229 -257 -159 N ATOM 872 NH2 ARG A 112 7.059 9.634 11.705 1.00 44.48 N ANISOU 872 NH2 ARG A 112 5760 5578 5561 44 -159 -150 N ATOM 0 H ARG A 112 8.052 2.794 11.222 1.00 20.65 H new ATOM 0 HA ARG A 112 6.192 3.663 9.428 1.00 19.73 H new ATOM 0 HB2 ARG A 112 8.965 4.154 9.492 1.00 21.88 H new ATOM 0 HB3 ARG A 112 8.034 4.686 8.360 1.00 21.88 H new ATOM 0 HG2 ARG A 112 6.776 5.851 10.123 1.00 27.96 H new ATOM 0 HG3 ARG A 112 7.959 5.508 11.079 1.00 27.96 H new ATOM 0 HD2 ARG A 112 9.406 6.691 9.588 1.00 35.74 H new ATOM 0 HD3 ARG A 112 8.138 7.155 8.807 1.00 35.74 H new ATOM 0 HE ARG A 112 8.953 8.243 11.114 1.00 41.39 H new ATOM 0 HH11 ARG A 112 6.040 7.632 9.616 1.00 41.89 H new ATOM 0 HH12 ARG A 112 5.282 8.718 10.298 1.00 41.89 H new ATOM 0 HH21 ARG A 112 7.758 9.855 12.155 1.00 44.48 H new ATOM 0 HH22 ARG A 112 6.319 10.055 11.827 1.00 44.48 H new ATOM 873 N ILE A 113 6.711 2.258 7.457 1.00 16.28 N ANISOU 873 N ILE A 113 1439 2343 2402 -441 -252 -120 N ATOM 874 CA ILE A 113 6.850 1.134 6.502 1.00 16.24 C ANISOU 874 CA ILE A 113 1459 2298 2410 -385 -426 -140 C ATOM 875 C ILE A 113 8.260 1.199 5.916 1.00 16.74 C ANISOU 875 C ILE A 113 1593 2041 2724 -493 -306 -42 C ATOM 876 O ILE A 113 8.617 2.186 5.308 1.00 17.62 O ANISOU 876 O ILE A 113 1563 2147 2983 -426 7 -34 O ATOM 877 CB ILE A 113 5.823 1.270 5.368 1.00 15.95 C ANISOU 877 CB ILE A 113 1474 2428 2157 -335 -224 -216 C ATOM 878 CG1 ILE A 113 4.415 1.324 5.890 1.00 16.29 C ANISOU 878 CG1 ILE A 113 1600 2489 2100 -442 2 -109 C ATOM 879 CG2 ILE A 113 6.041 0.166 4.407 1.00 18.16 C ANISOU 879 CG2 ILE A 113 1920 2284 2693 -274 -104 -253 C ATOM 880 CD1 ILE A 113 3.466 1.882 4.806 1.00 17.94 C ANISOU 880 CD1 ILE A 113 1554 2824 2437 -333 -393 -99 C ATOM 0 H ILE A 113 6.238 2.921 7.181 1.00 16.28 H new ATOM 0 HA ILE A 113 6.698 0.290 6.955 1.00 16.24 H new ATOM 0 HB ILE A 113 5.951 2.114 4.907 1.00 15.95 H new ATOM 0 HG12 ILE A 113 4.127 0.437 6.156 1.00 16.29 H new ATOM 0 HG13 ILE A 113 4.377 1.883 6.682 1.00 16.29 H new ATOM 0 HG21 ILE A 113 5.400 0.236 3.682 1.00 18.16 H new ATOM 0 HG22 ILE A 113 6.941 0.222 4.049 1.00 18.16 H new ATOM 0 HG23 ILE A 113 5.926 -0.684 4.859 1.00 18.16 H new ATOM 0 HD11 ILE A 113 2.561 1.913 5.153 1.00 17.94 H new ATOM 0 HD12 ILE A 113 3.747 2.777 4.559 1.00 17.94 H new ATOM 0 HD13 ILE A 113 3.493 1.307 4.025 1.00 17.94 H new ATOM 881 N GLN A 114 9.015 0.154 6.170 1.00 16.15 N ANISOU 881 N GLN A 114 1374 2155 2605 -383 -160 -10 N ATOM 882 CA GLN A 114 10.325 0.068 5.594 1.00 19.25 C ANISOU 882 CA GLN A 114 1677 2684 2952 -260 -124 86 C ATOM 883 C GLN A 114 10.312 -0.544 4.199 1.00 18.39 C ANISOU 883 C GLN A 114 1707 2466 2813 -213 27 191 C ATOM 884 O GLN A 114 11.071 -0.152 3.295 1.00 19.06 O ANISOU 884 O GLN A 114 1345 2698 3196 -282 266 -17 O ATOM 885 CB GLN A 114 11.226 -0.762 6.546 1.00 23.61 C ANISOU 885 CB GLN A 114 2335 3337 3295 -166 -203 -8 C ATOM 886 CG GLN A 114 12.629 -0.890 6.227 1.00 30.34 C ANISOU 886 CG GLN A 114 3403 4166 3957 -2 62 15 C ATOM 887 CD GLN A 114 13.264 -1.611 7.431 1.00 37.98 C ANISOU 887 CD GLN A 114 4619 4953 4857 263 -389 207 C ATOM 888 OE1 GLN A 114 12.949 -2.784 7.716 1.00 43.71 O ANISOU 888 OE1 GLN A 114 5279 5696 5632 -15 -216 138 O ATOM 889 NE2 GLN A 114 14.029 -0.878 8.208 1.00 41.69 N ANISOU 889 NE2 GLN A 114 4720 5491 5627 -7 -15 -60 N ATOM 0 H GLN A 114 8.788 -0.509 6.669 1.00 16.15 H new ATOM 0 HA GLN A 114 10.675 0.967 5.492 1.00 19.25 H new ATOM 0 HB2 GLN A 114 11.159 -0.371 7.431 1.00 23.61 H new ATOM 0 HB3 GLN A 114 10.853 -1.656 6.601 1.00 23.61 H new ATOM 0 HG2 GLN A 114 12.756 -1.397 5.410 1.00 30.34 H new ATOM 0 HG3 GLN A 114 13.036 -0.021 6.087 1.00 30.34 H new ATOM 0 HE21 GLN A 114 14.227 -0.072 7.981 1.00 41.69 H new ATOM 0 HE22 GLN A 114 14.332 -1.204 8.944 1.00 41.69 H new ATOM 890 N THR A 115 9.485 -1.570 4.008 1.00 18.37 N ANISOU 890 N THR A 115 1515 2447 3017 -347 -292 -104 N ATOM 891 CA THR A 115 9.399 -2.222 2.702 1.00 18.98 C ANISOU 891 CA THR A 115 1625 2671 2914 -415 37 -137 C ATOM 892 C THR A 115 7.949 -2.604 2.479 1.00 18.25 C ANISOU 892 C THR A 115 1825 2327 2780 -583 59 -99 C ATOM 893 O THR A 115 7.235 -3.021 3.438 1.00 19.58 O ANISOU 893 O THR A 115 2085 2599 2755 -709 40 6 O ATOM 894 CB THR A 115 10.199 -3.545 2.645 1.00 20.79 C ANISOU 894 CB THR A 115 1513 2997 3387 -163 5 -277 C ATOM 895 OG1 THR A 115 11.573 -3.292 2.923 1.00 26.79 O ANISOU 895 OG1 THR A 115 1946 3579 4654 99 123 -34 O ATOM 896 CG2 THR A 115 10.069 -4.253 1.262 1.00 27.25 C ANISOU 896 CG2 THR A 115 2883 3542 3927 20 -95 -192 C ATOM 0 H THR A 115 8.971 -1.901 4.613 1.00 18.37 H new ATOM 0 HA THR A 115 9.753 -1.606 2.042 1.00 18.98 H new ATOM 0 HB THR A 115 9.826 -4.138 3.316 1.00 20.79 H new ATOM 0 HG1 THR A 115 12.003 -4.013 2.892 1.00 26.79 H new ATOM 0 HG21 THR A 115 10.584 -5.075 1.269 1.00 27.25 H new ATOM 0 HG22 THR A 115 9.137 -4.457 1.089 1.00 27.25 H new ATOM 0 HG23 THR A 115 10.406 -3.668 0.566 1.00 27.25 H new ATOM 897 N AMET A 116 7.407 -2.381 1.247 0.50 17.57 N ANISOU 897 N AMET A 116 1408 2660 2607 -605 243 -210 N ATOM 898 N BMET A 116 7.490 -2.470 1.252 0.50 20.70 N ANISOU 898 N BMET A 116 2282 2854 2728 -572 245 -156 N ATOM 899 CA AMET A 116 5.996 -2.735 0.830 0.50 15.16 C ANISOU 899 CA AMET A 116 920 2449 2391 -715 131 -214 C ATOM 900 CA BMET A 116 6.205 -3.030 0.958 0.50 20.29 C ANISOU 900 CA BMET A 116 2285 2816 2608 -598 196 -143 C ATOM 901 C AMET A 116 6.152 -3.584 -0.453 0.50 16.99 C ANISOU 901 C AMET A 116 1519 2586 2349 -612 178 -224 C ATOM 902 C BMET A 116 6.399 -3.793 -0.319 0.50 19.59 C ANISOU 902 C BMET A 116 2147 2735 2559 -599 141 -217 C ATOM 903 O AMET A 116 6.853 -3.134 -1.408 0.50 15.28 O ANISOU 903 O AMET A 116 861 2601 2344 -674 141 -166 O ATOM 904 O BMET A 116 7.254 -3.471 -1.139 0.50 20.10 O ANISOU 904 O BMET A 116 2071 2939 2626 -506 209 -221 O ATOM 905 CB AMET A 116 5.295 -1.427 0.504 0.50 17.33 C ANISOU 905 CB AMET A 116 1374 2653 2556 -521 92 -224 C ATOM 906 CB BMET A 116 5.187 -1.922 0.803 0.50 21.83 C ANISOU 906 CB BMET A 116 2646 2792 2855 -523 236 -23 C ATOM 907 CG AMET A 116 3.835 -1.601 0.346 0.50 22.45 C ANISOU 907 CG AMET A 116 1953 3421 3153 -545 -77 -99 C ATOM 908 CG BMET A 116 3.784 -2.471 0.562 0.50 23.22 C ANISOU 908 CG BMET A 116 3066 2823 2931 -324 438 191 C ATOM 909 SD AMET A 116 3.371 -2.254 -1.320 0.50 23.04 S ANISOU 909 SD AMET A 116 2934 2846 2974 179 -205 -278 S ATOM 910 SD BMET A 116 2.580 -1.180 0.278 0.50 30.73 S ANISOU 910 SD BMET A 116 3348 4492 3833 112 624 376 S ATOM 911 CE AMET A 116 2.485 -0.833 -1.956 0.50 24.49 C ANISOU 911 CE AMET A 116 2625 3341 3337 -24 59 143 C ATOM 912 CE BMET A 116 2.936 -0.621 -1.370 0.50 28.41 C ANISOU 912 CE BMET A 116 3512 3862 3421 -91 153 15 C ATOM 0 H AMET A 116 7.855 -2.012 0.613 0.50 20.70 H new ATOM 0 H BMET A 116 7.891 -2.074 0.602 0.50 20.70 H new ATOM 0 HA AMET A 116 5.493 -3.215 1.506 0.50 20.29 H new ATOM 0 HA BMET A 116 5.872 -3.608 1.662 0.50 20.29 H new ATOM 0 HB2AMET A 116 5.468 -0.784 1.210 0.50 21.83 H new ATOM 0 HB2BMET A 116 5.186 -1.370 1.601 0.50 21.83 H new ATOM 0 HB3AMET A 116 5.666 -1.058 -0.313 0.50 21.83 H new ATOM 0 HB3BMET A 116 5.442 -1.350 0.062 0.50 21.83 H new ATOM 0 HG2AMET A 116 3.510 -2.208 1.029 0.50 23.22 H new ATOM 0 HG2BMET A 116 3.801 -3.067 -0.203 0.50 23.22 H new ATOM 0 HG3AMET A 116 3.394 -0.749 0.490 0.50 23.22 H new ATOM 0 HG3BMET A 116 3.511 -3.000 1.328 0.50 23.22 H new ATOM 0 HE1AMET A 116 1.971 -1.094 -2.736 0.50 28.41 H new ATOM 0 HE1BMET A 116 2.208 -0.065 -1.688 0.50 28.41 H new ATOM 0 HE2AMET A 116 1.886 -0.493 -1.273 0.50 28.41 H new ATOM 0 HE2BMET A 116 3.758 -0.106 -1.367 0.50 28.41 H new ATOM 0 HE3AMET A 116 3.118 -0.141 -2.204 0.50 28.41 H new ATOM 0 HE3BMET A 116 3.037 -1.387 -1.957 0.50 28.41 H new ATOM 913 N GLN A 117 5.581 -4.804 -0.472 1.00 17.34 N ANISOU 913 N GLN A 117 1385 2732 2472 -719 8 -255 N ATOM 914 CA GLN A 117 5.483 -5.581 -1.688 1.00 17.52 C ANISOU 914 CA GLN A 117 1542 2690 2423 -356 306 -228 C ATOM 915 C GLN A 117 3.961 -5.715 -2.001 1.00 15.98 C ANISOU 915 C GLN A 117 1576 2394 2099 -375 352 -155 C ATOM 916 O GLN A 117 3.182 -6.130 -1.141 1.00 17.53 O ANISOU 916 O GLN A 117 1631 2867 2161 -416 406 -77 O ATOM 917 CB GLN A 117 6.064 -6.977 -1.466 1.00 19.08 C ANISOU 917 CB GLN A 117 1613 2950 2687 -393 164 -314 C ATOM 918 CG GLN A 117 7.566 -6.980 -1.171 1.00 23.78 C ANISOU 918 CG GLN A 117 1322 3945 3767 -756 122 -148 C ATOM 919 CD GLN A 117 7.856 -8.330 -0.590 1.00 34.46 C ANISOU 919 CD GLN A 117 4012 4391 4689 -103 -62 -147 C ATOM 920 OE1 GLN A 117 7.925 -8.495 0.636 1.00 41.90 O ANISOU 920 OE1 GLN A 117 5102 5587 5229 -225 -398 -34 O ATOM 921 NE2 GLN A 117 7.906 -9.349 -1.463 1.00 40.20 N ANISOU 921 NE2 GLN A 117 4996 5165 5111 21 -292 -236 N ATOM 0 H AGLN A 117 5.247 -5.188 0.221 0.50 17.34 H new ATOM 0 H BGLN A 117 5.047 -5.070 0.147 0.50 17.34 H new ATOM 0 HA GLN A 117 5.969 -5.155 -2.411 1.00 17.52 H new ATOM 0 HB2 GLN A 117 5.597 -7.399 -0.728 1.00 19.08 H new ATOM 0 HB3 GLN A 117 5.896 -7.517 -2.254 1.00 19.08 H new ATOM 0 HG2 GLN A 117 8.081 -6.829 -1.979 1.00 23.78 H new ATOM 0 HG3 GLN A 117 7.801 -6.274 -0.549 1.00 23.78 H new ATOM 0 HE21 GLN A 117 7.855 -9.195 -2.307 1.00 40.20 H new ATOM 0 HE22 GLN A 117 7.989 -10.156 -1.178 1.00 40.20 H new ATOM 922 N ALA A 118 3.567 -5.343 -3.209 1.00 17.58 N ANISOU 922 N ALA A 118 1903 2558 2215 -755 156 -226 N ATOM 923 CA ALA A 118 2.168 -5.465 -3.628 1.00 18.05 C ANISOU 923 CA ALA A 118 1909 2633 2315 -774 5 -154 C ATOM 924 C ALA A 118 2.095 -6.597 -4.587 1.00 17.55 C ANISOU 924 C ALA A 118 2122 2535 2009 -563 395 -144 C ATOM 925 O ALA A 118 2.704 -6.545 -5.658 1.00 24.46 O ANISOU 925 O ALA A 118 3482 3153 2655 -1191 804 -407 O ATOM 926 CB ALA A 118 1.681 -4.142 -4.335 1.00 19.87 C ANISOU 926 CB ALA A 118 2082 2987 2482 -569 -199 13 C ATOM 0 H ALA A 118 4.091 -5.016 -3.807 1.00 17.58 H new ATOM 0 HA ALA A 118 1.599 -5.618 -2.857 1.00 18.05 H new ATOM 0 HB1 ALA A 118 0.755 -4.241 -4.605 1.00 19.87 H new ATOM 0 HB2 ALA A 118 1.760 -3.397 -3.718 1.00 19.87 H new ATOM 0 HB3 ALA A 118 2.229 -3.972 -5.117 1.00 19.87 H new ATOM 927 N TYR A 119 1.264 -7.558 -4.299 1.00 14.37 N ANISOU 927 N TYR A 119 1304 2233 1921 -410 0 -62 N ATOM 928 CA TYR A 119 0.949 -8.686 -5.136 1.00 15.66 C ANISOU 928 CA TYR A 119 1700 2310 1940 -63 -222 -70 C ATOM 929 C TYR A 119 -0.303 -8.519 -5.932 1.00 14.61 C ANISOU 929 C TYR A 119 1493 2243 1815 -224 -158 -16 C ATOM 930 O TYR A 119 -1.353 -8.350 -5.331 1.00 14.89 O ANISOU 930 O TYR A 119 1367 2413 1876 -129 -54 -129 O ATOM 931 CB TYR A 119 0.831 -9.975 -4.273 1.00 15.31 C ANISOU 931 CB TYR A 119 1015 2331 2470 -209 -134 -40 C ATOM 932 CG TYR A 119 2.123 -10.354 -3.619 1.00 15.16 C ANISOU 932 CG TYR A 119 1092 2149 2520 -72 -93 -214 C ATOM 933 CD1 TYR A 119 2.503 -9.763 -2.432 1.00 16.90 C ANISOU 933 CD1 TYR A 119 1477 2456 2488 -125 -359 31 C ATOM 934 CD2 TYR A 119 2.949 -11.297 -4.208 1.00 19.94 C ANISOU 934 CD2 TYR A 119 2090 2678 2805 348 -98 -1 C ATOM 935 CE1 TYR A 119 3.711 -10.082 -1.819 1.00 18.04 C ANISOU 935 CE1 TYR A 119 1676 2409 2767 18 -100 -68 C ATOM 936 CE2 TYR A 119 4.243 -11.605 -3.606 1.00 22.25 C ANISOU 936 CE2 TYR A 119 2213 3045 3196 665 -148 -223 C ATOM 937 CZ TYR A 119 4.662 -10.965 -2.380 1.00 17.23 C ANISOU 937 CZ TYR A 119 291 2964 3290 205 -271 -124 C ATOM 938 OH TYR A 119 5.913 -11.271 -1.825 1.00 25.86 O ANISOU 938 OH TYR A 119 1775 3825 4226 203 -243 447 O ATOM 0 H TYR A 119 0.834 -7.574 -3.554 1.00 14.37 H new ATOM 0 HA TYR A 119 1.680 -8.756 -5.770 1.00 15.66 H new ATOM 0 HB2 TYR A 119 0.155 -9.842 -3.591 1.00 15.31 H new ATOM 0 HB3 TYR A 119 0.529 -10.708 -4.833 1.00 15.31 H new ATOM 0 HD1 TYR A 119 1.941 -9.139 -2.033 1.00 16.90 H new ATOM 0 HD2 TYR A 119 2.680 -11.733 -4.984 1.00 19.94 H new ATOM 0 HE1 TYR A 119 3.903 -9.693 -0.996 1.00 18.04 H new ATOM 0 HE2 TYR A 119 4.805 -12.221 -4.017 1.00 22.25 H new ATOM 0 HH TYR A 119 5.829 -11.401 -0.999 1.00 25.86 H new ATOM 939 N TRP A 120 -0.177 -8.579 -7.247 1.00 15.45 N ANISOU 939 N TRP A 120 1587 2523 1757 -120 -271 55 N ATOM 940 CA TRP A 120 -1.314 -8.540 -8.160 1.00 16.35 C ANISOU 940 CA TRP A 120 1858 2646 1708 96 -330 -85 C ATOM 941 C TRP A 120 -0.769 -8.631 -9.548 1.00 18.24 C ANISOU 941 C TRP A 120 2320 2725 1883 85 -253 82 C ATOM 942 O TRP A 120 0.415 -8.412 -9.773 1.00 19.35 O ANISOU 942 O TRP A 120 2350 2935 2066 124 -43 -73 O ATOM 943 CB TRP A 120 -2.119 -7.244 -8.043 1.00 18.74 C ANISOU 943 CB TRP A 120 2393 2588 2140 156 -240 56 C ATOM 944 CG TRP A 120 -1.383 -5.967 -8.365 1.00 19.18 C ANISOU 944 CG TRP A 120 2069 2994 2224 25 -298 -5 C ATOM 945 CD1 TRP A 120 -0.639 -5.215 -7.482 1.00 20.51 C ANISOU 945 CD1 TRP A 120 2247 2939 2604 -200 -41 -151 C ATOM 946 CD2 TRP A 120 -1.306 -5.280 -9.628 1.00 18.88 C ANISOU 946 CD2 TRP A 120 2253 2470 2449 159 -494 -92 C ATOM 947 NE1 TRP A 120 -0.150 -4.098 -8.111 1.00 22.64 N ANISOU 947 NE1 TRP A 120 2680 3098 2824 -139 -262 -8 N ATOM 948 CE2 TRP A 120 -0.542 -4.119 -9.431 1.00 21.66 C ANISOU 948 CE2 TRP A 120 2890 2591 2747 34 -61 207 C ATOM 949 CE3 TRP A 120 -1.803 -5.554 -10.910 1.00 20.78 C ANISOU 949 CE3 TRP A 120 2757 2828 2309 234 -404 99 C ATOM 950 CZ2 TRP A 120 -0.244 -3.217 -10.482 1.00 25.61 C ANISOU 950 CZ2 TRP A 120 3742 3012 2976 -147 -269 224 C ATOM 951 CZ3 TRP A 120 -1.556 -4.616 -11.965 1.00 23.69 C ANISOU 951 CZ3 TRP A 120 3270 2924 2805 -134 -281 299 C ATOM 952 CH2 TRP A 120 -0.754 -3.480 -11.721 1.00 25.68 C ANISOU 952 CH2 TRP A 120 3704 3138 2914 -55 -279 276 C ATOM 0 H TRP A 120 0.583 -8.645 -7.644 1.00 15.45 H new ATOM 0 HA TRP A 120 -1.911 -9.273 -7.941 1.00 16.35 H new ATOM 0 HB2 TRP A 120 -2.887 -7.309 -8.632 1.00 18.74 H new ATOM 0 HB3 TRP A 120 -2.460 -7.178 -7.137 1.00 18.74 H new ATOM 0 HD1 TRP A 120 -0.490 -5.433 -6.590 1.00 20.51 H new ATOM 0 HE1 TRP A 120 0.325 -3.484 -7.741 1.00 22.64 H new ATOM 0 HE3 TRP A 120 -2.285 -6.332 -11.073 1.00 20.78 H new ATOM 0 HZ2 TRP A 120 0.284 -2.466 -10.332 1.00 25.61 H new ATOM 0 HZ3 TRP A 120 -1.923 -4.755 -12.808 1.00 23.69 H new ATOM 0 HH2 TRP A 120 -0.569 -2.897 -12.421 1.00 25.68 H new ATOM 953 N SER A 121 -1.622 -9.055 -10.481 1.00 17.41 N ANISOU 953 N SER A 121 2336 2735 1543 246 -454 -54 N ATOM 954 CA SER A 121 -1.276 -8.934 -11.876 1.00 20.68 C ANISOU 954 CA SER A 121 2786 2972 2096 332 -368 -67 C ATOM 955 C SER A 121 -2.549 -8.650 -12.657 1.00 20.39 C ANISOU 955 C SER A 121 2902 2951 1892 171 -383 -47 C ATOM 956 O SER A 121 -3.568 -8.422 -12.048 1.00 18.88 O ANISOU 956 O SER A 121 2678 2646 1847 80 -502 -18 O ATOM 957 CB SER A 121 -0.531 -10.138 -12.416 1.00 22.42 C ANISOU 957 CB SER A 121 2895 3187 2435 473 -276 -7 C ATOM 958 OG SER A 121 -1.352 -11.268 -12.360 1.00 25.06 O ANISOU 958 OG SER A 121 3786 2984 2750 569 -51 -222 O ATOM 0 H SER A 121 -2.390 -9.408 -10.322 1.00 17.41 H new ATOM 0 HA SER A 121 -0.653 -8.198 -11.979 1.00 20.68 H new ATOM 0 HB2 SER A 121 -0.255 -9.974 -13.331 1.00 22.42 H new ATOM 0 HB3 SER A 121 0.276 -10.288 -11.899 1.00 22.42 H new ATOM 0 HG SER A 121 -1.146 -11.732 -11.691 1.00 25.06 H new ATOM 959 N GLU A 122 -2.445 -8.685 -13.983 1.00 20.63 N ANISOU 959 N GLU A 122 2862 2900 2077 240 -365 -39 N ATOM 960 CA GLU A 122 -3.557 -8.302 -14.789 1.00 22.25 C ANISOU 960 CA GLU A 122 3085 3371 1995 249 -424 85 C ATOM 961 C GLU A 122 -4.778 -9.222 -14.577 1.00 23.82 C ANISOU 961 C GLU A 122 3250 3538 2260 254 -352 -156 C ATOM 962 O GLU A 122 -5.960 -8.736 -14.672 1.00 26.41 O ANISOU 962 O GLU A 122 3387 4402 2243 391 -368 -325 O ATOM 963 CB GLU A 122 -3.100 -8.207 -16.250 1.00 23.66 C ANISOU 963 CB GLU A 122 3259 3566 2162 141 -345 88 C ATOM 964 CG GLU A 122 -1.892 -7.188 -16.423 1.00 29.74 C ANISOU 964 CG GLU A 122 3852 4153 3292 55 -317 98 C ATOM 965 CD GLU A 122 -0.485 -7.823 -16.225 1.00 30.43 C ANISOU 965 CD GLU A 122 3791 4316 3452 32 41 237 C ATOM 966 OE1 GLU A 122 -0.415 -8.995 -15.772 1.00 29.09 O ANISOU 966 OE1 GLU A 122 3808 4403 2841 572 196 282 O ATOM 967 OE2 GLU A 122 0.551 -7.166 -16.571 1.00 35.38 O ANISOU 967 OE2 GLU A 122 4702 4817 3922 -368 -93 643 O ATOM 0 H GLU A 122 -1.742 -8.926 -14.416 1.00 20.63 H new ATOM 0 HA GLU A 122 -3.870 -7.425 -14.516 1.00 22.25 H new ATOM 0 HB2 GLU A 122 -2.831 -9.085 -16.563 1.00 23.66 H new ATOM 0 HB3 GLU A 122 -3.844 -7.924 -16.804 1.00 23.66 H new ATOM 0 HG2 GLU A 122 -1.937 -6.797 -17.310 1.00 29.74 H new ATOM 0 HG3 GLU A 122 -2.000 -6.463 -15.788 1.00 29.74 H new ATOM 968 N VAL A 123 -4.498 -10.445 -14.126 1.00 25.40 N ANISOU 968 N VAL A 123 3768 3258 2622 -104 -27 -539 N ATOM 969 CA VAL A 123 -5.477 -11.463 -13.708 1.00 28.33 C ANISOU 969 CA VAL A 123 3879 3682 3201 -65 28 -304 C ATOM 970 C VAL A 123 -6.399 -10.924 -12.588 1.00 26.28 C ANISOU 970 C VAL A 123 3556 3434 2993 -277 62 -514 C ATOM 971 O VAL A 123 -7.492 -11.443 -12.413 1.00 30.00 O ANISOU 971 O VAL A 123 3898 4144 3356 -594 133 -929 O ATOM 972 CB VAL A 123 -4.808 -12.912 -13.288 1.00 26.73 C ANISOU 972 CB VAL A 123 3828 3353 2972 -115 -235 -350 C ATOM 973 CG1 VAL A 123 -3.897 -13.465 -14.395 1.00 29.64 C ANISOU 973 CG1 VAL A 123 3596 3974 3691 230 -394 -151 C ATOM 974 CG2 VAL A 123 -3.942 -12.780 -12.041 1.00 30.16 C ANISOU 974 CG2 VAL A 123 3808 4221 3430 70 -278 -233 C ATOM 0 H VAL A 123 -3.688 -10.722 -14.050 1.00 25.40 H new ATOM 0 HA VAL A 123 -6.014 -11.646 -14.495 1.00 28.33 H new ATOM 0 HB VAL A 123 -5.556 -13.510 -13.133 1.00 26.73 H new ATOM 0 HG11 VAL A 123 -3.523 -14.314 -14.113 1.00 29.64 H new ATOM 0 HG12 VAL A 123 -4.414 -13.593 -15.206 1.00 29.64 H new ATOM 0 HG13 VAL A 123 -3.178 -12.837 -14.566 1.00 29.64 H new ATOM 0 HG21 VAL A 123 -3.562 -13.644 -11.817 1.00 30.16 H new ATOM 0 HG22 VAL A 123 -3.227 -12.147 -12.209 1.00 30.16 H new ATOM 0 HG23 VAL A 123 -4.485 -12.465 -11.302 1.00 30.16 H new ATOM 975 N ASN A 124 -5.956 -9.895 -11.852 1.00 22.13 N ANISOU 975 N ASN A 124 3078 2860 2468 -153 -436 -423 N ATOM 976 CA ASN A 124 -6.675 -9.327 -10.699 1.00 19.54 C ANISOU 976 CA ASN A 124 2290 2809 2323 -3 -438 -71 C ATOM 977 C ASN A 124 -7.428 -8.047 -11.021 1.00 20.15 C ANISOU 977 C ASN A 124 2661 2848 2147 44 -563 -166 C ATOM 978 O ASN A 124 -7.992 -7.410 -10.158 1.00 20.09 O ANISOU 978 O ASN A 124 2490 2996 2146 65 -630 -123 O ATOM 979 CB ASN A 124 -5.690 -9.104 -9.543 1.00 18.95 C ANISOU 979 CB ASN A 124 2323 2519 2356 -67 -735 -7 C ATOM 980 CG ASN A 124 -5.067 -10.403 -9.068 1.00 18.21 C ANISOU 980 CG ASN A 124 2131 2645 2143 -121 -293 -130 C ATOM 981 OD1 ASN A 124 -3.846 -10.601 -9.114 1.00 18.19 O ANISOU 981 OD1 ASN A 124 2050 2598 2263 26 -382 -105 O ATOM 982 ND2 ASN A 124 -5.925 -11.303 -8.568 1.00 19.11 N ANISOU 982 ND2 ASN A 124 2152 2622 2486 -636 -354 67 N ATOM 0 H ASN A 124 -5.210 -9.498 -12.014 1.00 22.13 H new ATOM 0 HA ASN A 124 -7.353 -9.971 -10.441 1.00 19.54 H new ATOM 0 HB2 ASN A 124 -4.990 -8.496 -9.828 1.00 18.95 H new ATOM 0 HB3 ASN A 124 -6.151 -8.678 -8.804 1.00 18.95 H new ATOM 0 HD21 ASN A 124 -5.633 -12.052 -8.263 1.00 19.11 H new ATOM 0 HD22 ASN A 124 -6.768 -11.131 -8.552 1.00 19.11 H new ATOM 983 N LEU A 125 -7.419 -7.666 -12.290 1.00 21.89 N ANISOU 983 N LEU A 125 2733 3346 2237 30 -617 -153 N ATOM 984 CA LEU A 125 -8.163 -6.478 -12.725 1.00 23.20 C ANISOU 984 CA LEU A 125 2839 3466 2509 64 -610 -115 C ATOM 985 C LEU A 125 -9.535 -6.869 -13.249 1.00 23.83 C ANISOU 985 C LEU A 125 2721 3612 2718 37 -654 -317 C ATOM 986 O LEU A 125 -9.662 -7.872 -13.900 1.00 25.08 O ANISOU 986 O LEU A 125 2611 3913 3002 106 -847 -388 O ATOM 987 CB LEU A 125 -7.416 -5.828 -13.873 1.00 25.00 C ANISOU 987 CB LEU A 125 3090 3675 2734 128 -477 122 C ATOM 988 CG LEU A 125 -8.137 -4.585 -14.390 1.00 29.72 C ANISOU 988 CG LEU A 125 3737 4095 3460 68 -210 212 C ATOM 989 CD1 LEU A 125 -7.987 -3.505 -13.357 1.00 33.05 C ANISOU 989 CD1 LEU A 125 4163 4234 4159 258 208 -65 C ATOM 990 CD2 LEU A 125 -7.491 -4.202 -15.744 1.00 36.55 C ANISOU 990 CD2 LEU A 125 4890 4907 4089 -162 226 197 C ATOM 0 H LEU A 125 -6.993 -8.074 -12.916 1.00 21.89 H new ATOM 0 HA LEU A 125 -8.254 -5.878 -11.968 1.00 23.20 H new ATOM 0 HB2 LEU A 125 -6.523 -5.586 -13.582 1.00 25.00 H new ATOM 0 HB3 LEU A 125 -7.315 -6.467 -14.596 1.00 25.00 H new ATOM 0 HG LEU A 125 -9.085 -4.731 -14.535 1.00 29.72 H new ATOM 0 HD11 LEU A 125 -8.437 -2.701 -13.661 1.00 33.05 H new ATOM 0 HD12 LEU A 125 -8.381 -3.799 -12.521 1.00 33.05 H new ATOM 0 HD13 LEU A 125 -7.045 -3.316 -13.221 1.00 33.05 H new ATOM 0 HD21 LEU A 125 -7.929 -3.413 -16.100 1.00 36.55 H new ATOM 0 HD22 LEU A 125 -6.548 -4.016 -15.612 1.00 36.55 H new ATOM 0 HD23 LEU A 125 -7.591 -4.936 -16.370 1.00 36.55 H new ATOM 991 N SER A 126 -10.531 -6.079 -12.913 1.00 24.63 N ANISOU 991 N SER A 126 2429 4016 2913 -65 -1157 -312 N ATOM 992 CA SER A 126 -11.880 -6.264 -13.482 1.00 27.92 C ANISOU 992 CA SER A 126 3048 4437 3122 -113 -899 -304 C ATOM 993 C SER A 126 -12.309 -4.942 -14.097 1.00 29.29 C ANISOU 993 C SER A 126 3475 4350 3302 81 -612 -324 C ATOM 994 O SER A 126 -12.309 -3.928 -13.436 1.00 29.52 O ANISOU 994 O SER A 126 3434 4652 3128 97 -920 -285 O ATOM 995 CB SER A 126 -12.851 -6.654 -12.364 1.00 29.67 C ANISOU 995 CB SER A 126 3187 4361 3722 -64 -585 -109 C ATOM 996 OG SER A 126 -12.393 -7.778 -11.623 1.00 36.07 O ANISOU 996 OG SER A 126 4079 5197 4426 -267 -436 77 O ATOM 0 H SER A 126 -10.463 -5.425 -12.358 1.00 24.63 H new ATOM 0 HA SER A 126 -11.878 -6.964 -14.154 1.00 27.92 H new ATOM 0 HB2 SER A 126 -12.971 -5.901 -11.765 1.00 29.67 H new ATOM 0 HB3 SER A 126 -13.720 -6.853 -12.747 1.00 29.67 H new ATOM 0 HG SER A 126 -11.625 -7.621 -11.322 1.00 36.07 H new ATOM 997 N VAL A 127 -12.623 -4.923 -15.407 1.00 31.45 N ANISOU 997 N VAL A 127 3791 4633 3525 82 -715 -338 N ATOM 998 CA VAL A 127 -12.969 -3.655 -16.060 1.00 35.97 C ANISOU 998 CA VAL A 127 4535 4848 4283 15 -447 -291 C ATOM 999 C VAL A 127 -14.474 -3.640 -16.147 1.00 38.50 C ANISOU 999 C VAL A 127 4737 5087 4804 -41 -391 -272 C ATOM 1000 O VAL A 127 -15.061 -4.635 -16.604 1.00 41.51 O ANISOU 1000 O VAL A 127 5105 5408 5256 -33 -461 -356 O ATOM 1001 CB VAL A 127 -12.308 -3.500 -17.492 1.00 36.40 C ANISOU 1001 CB VAL A 127 4615 4798 4415 -10 -263 -230 C ATOM 1002 CG1 VAL A 127 -12.784 -4.589 -18.434 1.00 39.22 C ANISOU 1002 CG1 VAL A 127 4965 5149 4784 -111 -257 -284 C ATOM 1003 CG2 VAL A 127 -12.648 -2.171 -18.148 1.00 38.53 C ANISOU 1003 CG2 VAL A 127 4941 5123 4574 130 -278 -200 C ATOM 0 H VAL A 127 -12.640 -5.615 -15.918 1.00 31.45 H new ATOM 0 HA VAL A 127 -12.627 -2.905 -15.548 1.00 35.97 H new ATOM 0 HB VAL A 127 -11.351 -3.558 -17.343 1.00 36.40 H new ATOM 0 HG11 VAL A 127 -12.366 -4.472 -19.302 1.00 39.22 H new ATOM 0 HG12 VAL A 127 -12.543 -5.457 -18.074 1.00 39.22 H new ATOM 0 HG13 VAL A 127 -13.748 -4.536 -18.530 1.00 39.22 H new ATOM 0 HG21 VAL A 127 -12.223 -2.122 -19.019 1.00 38.53 H new ATOM 0 HG22 VAL A 127 -13.610 -2.098 -18.253 1.00 38.53 H new ATOM 0 HG23 VAL A 127 -12.328 -1.444 -17.591 1.00 38.53 H new TER 1004 VAL A 127 ATOM 1005 N ASN B 2 7.189 -26.101 -15.973 1.00 46.41 N ANISOU 1005 N ASN B 2 5711 5953 5968 11 78 -147 N ATOM 1006 CA ASN B 2 8.245 -25.084 -15.645 1.00 46.75 C ANISOU 1006 CA ASN B 2 5832 5953 5978 10 107 -66 C ATOM 1007 C ASN B 2 7.736 -24.025 -14.659 1.00 46.14 C ANISOU 1007 C ASN B 2 5744 5905 5881 20 156 -79 C ATOM 1008 O ASN B 2 6.699 -24.246 -13.996 1.00 46.55 O ANISOU 1008 O ASN B 2 5711 5942 6032 23 224 -8 O ATOM 1009 CB ASN B 2 8.796 -24.425 -16.921 1.00 46.98 C ANISOU 1009 CB ASN B 2 5853 6029 5968 12 59 -80 C ATOM 1010 CG ASN B 2 9.145 -25.426 -17.984 1.00 48.25 C ANISOU 1010 CG ASN B 2 6058 6237 6035 44 79 -42 C ATOM 1011 OD1 ASN B 2 10.011 -26.294 -17.802 1.00 49.29 O ANISOU 1011 OD1 ASN B 2 6097 6550 6080 98 56 -6 O ATOM 1012 ND2 ASN B 2 8.446 -25.337 -19.103 1.00 49.15 N ANISOU 1012 ND2 ASN B 2 5955 6419 6298 60 -4 25 N ATOM 0 HA ASN B 2 8.971 -25.558 -15.210 1.00 46.75 H new ATOM 0 HB2 ASN B 2 8.138 -23.804 -17.270 1.00 46.98 H new ATOM 0 HB3 ASN B 2 9.585 -23.907 -16.698 1.00 46.98 H new ATOM 0 HD21 ASN B 2 8.584 -25.896 -19.742 1.00 49.15 H new ATOM 0 HD22 ASN B 2 7.853 -24.720 -19.192 1.00 49.15 H new ATOM 1013 N LEU B 3 8.463 -22.903 -14.548 1.00 44.66 N ANISOU 1013 N LEU B 3 5584 5719 5664 70 164 -30 N ATOM 1014 CA LEU B 3 8.172 -21.858 -13.553 1.00 42.95 C ANISOU 1014 CA LEU B 3 5350 5623 5343 136 133 -7 C ATOM 1015 C LEU B 3 6.921 -21.085 -13.904 1.00 41.91 C ANISOU 1015 C LEU B 3 5269 5590 5063 154 139 97 C ATOM 1016 O LEU B 3 6.903 -20.348 -14.903 1.00 43.41 O ANISOU 1016 O LEU B 3 5423 5889 5179 269 152 60 O ATOM 1017 CB LEU B 3 9.319 -20.843 -13.414 1.00 44.18 C ANISOU 1017 CB LEU B 3 5539 5738 5508 60 124 24 C ATOM 1018 CG LEU B 3 9.086 -19.593 -12.557 1.00 42.42 C ANISOU 1018 CG LEU B 3 5348 5487 5282 53 160 31 C ATOM 1019 CD1 LEU B 3 9.252 -19.952 -11.097 1.00 44.36 C ANISOU 1019 CD1 LEU B 3 5585 5639 5630 156 178 91 C ATOM 1020 CD2 LEU B 3 10.023 -18.443 -12.903 1.00 44.30 C ANISOU 1020 CD2 LEU B 3 5505 5745 5583 31 70 3 C ATOM 0 H LEU B 3 9.140 -22.727 -15.049 1.00 44.66 H new ATOM 0 HA LEU B 3 8.053 -22.331 -12.715 1.00 42.95 H new ATOM 0 HB2 LEU B 3 10.086 -21.312 -13.050 1.00 44.18 H new ATOM 0 HB3 LEU B 3 9.563 -20.549 -14.306 1.00 44.18 H new ATOM 0 HG LEU B 3 8.184 -19.287 -12.741 1.00 42.42 H new ATOM 0 HD11 LEU B 3 9.105 -19.164 -10.551 1.00 44.36 H new ATOM 0 HD12 LEU B 3 8.608 -20.636 -10.856 1.00 44.36 H new ATOM 0 HD13 LEU B 3 10.150 -20.287 -10.946 1.00 44.36 H new ATOM 0 HD21 LEU B 3 9.829 -17.684 -12.331 1.00 44.30 H new ATOM 0 HD22 LEU B 3 10.942 -18.722 -12.768 1.00 44.30 H new ATOM 0 HD23 LEU B 3 9.895 -18.189 -13.830 1.00 44.30 H new ATOM 1021 N PRO B 4 5.909 -21.180 -13.026 1.00 39.19 N ANISOU 1021 N PRO B 4 5005 5309 4575 272 89 -15 N ATOM 1022 CA PRO B 4 4.578 -20.847 -13.413 1.00 36.70 C ANISOU 1022 CA PRO B 4 4816 4844 4282 299 134 48 C ATOM 1023 C PRO B 4 4.396 -19.404 -13.889 1.00 34.14 C ANISOU 1023 C PRO B 4 4547 4574 3848 307 125 2 C ATOM 1024 O PRO B 4 4.981 -18.448 -13.375 1.00 34.16 O ANISOU 1024 O PRO B 4 4620 4494 3863 302 197 135 O ATOM 1025 CB PRO B 4 3.756 -21.200 -12.154 1.00 36.20 C ANISOU 1025 CB PRO B 4 4780 4835 4137 351 73 -45 C ATOM 1026 CG PRO B 4 4.684 -21.079 -11.060 1.00 37.52 C ANISOU 1026 CG PRO B 4 4799 5017 4440 280 11 -38 C ATOM 1027 CD PRO B 4 5.960 -21.628 -11.617 1.00 38.39 C ANISOU 1027 CD PRO B 4 4966 5144 4476 272 197 21 C ATOM 0 HA PRO B 4 4.291 -21.335 -14.201 1.00 36.70 H new ATOM 0 HB2 PRO B 4 3.004 -20.598 -12.045 1.00 36.20 H new ATOM 0 HB3 PRO B 4 3.394 -22.098 -12.211 1.00 36.20 H new ATOM 0 HG2 PRO B 4 4.786 -20.156 -10.779 1.00 37.52 H new ATOM 0 HG3 PRO B 4 4.388 -21.581 -10.284 1.00 37.52 H new ATOM 0 HD2 PRO B 4 6.737 -21.278 -11.154 1.00 38.39 H new ATOM 0 HD3 PRO B 4 5.999 -22.595 -11.546 1.00 38.39 H new ATOM 1028 N THR B 5 3.594 -19.275 -14.922 1.00 32.53 N ANISOU 1028 N THR B 5 4631 4321 3405 348 229 32 N ATOM 1029 CA THR B 5 3.080 -17.979 -15.318 1.00 30.11 C ANISOU 1029 CA THR B 5 4311 4095 3032 422 222 57 C ATOM 1030 C THR B 5 2.108 -17.530 -14.234 1.00 28.24 C ANISOU 1030 C THR B 5 4173 3741 2814 385 158 52 C ATOM 1031 O THR B 5 1.765 -18.300 -13.327 1.00 27.98 O ANISOU 1031 O THR B 5 4149 3751 2728 379 249 212 O ATOM 1032 CB THR B 5 2.214 -18.129 -16.590 1.00 31.07 C ANISOU 1032 CB THR B 5 4518 4307 2980 338 218 -34 C ATOM 1033 OG1 THR B 5 1.146 -19.042 -16.348 1.00 30.79 O ANISOU 1033 OG1 THR B 5 4686 4307 2706 382 355 7 O ATOM 1034 CG2 THR B 5 3.051 -18.633 -17.822 1.00 31.66 C ANISOU 1034 CG2 THR B 5 4509 4395 3124 463 401 -199 C ATOM 0 H THR B 5 3.331 -19.930 -15.414 1.00 32.53 H new ATOM 0 HA THR B 5 3.820 -17.368 -15.460 1.00 30.11 H new ATOM 0 HB THR B 5 1.864 -17.250 -16.803 1.00 31.07 H new ATOM 0 HG1 THR B 5 0.679 -19.118 -17.042 1.00 30.79 H new ATOM 0 HG21 THR B 5 2.472 -18.713 -18.596 1.00 31.66 H new ATOM 0 HG22 THR B 5 3.760 -17.999 -18.013 1.00 31.66 H new ATOM 0 HG23 THR B 5 3.439 -19.498 -17.618 1.00 31.66 H new ATOM 1035 N ALA B 6 1.621 -16.303 -14.329 1.00 27.63 N ANISOU 1035 N ALA B 6 4011 3670 2815 419 85 109 N ATOM 1036 CA ALA B 6 0.605 -15.851 -13.352 1.00 24.62 C ANISOU 1036 CA ALA B 6 3567 3249 2537 350 -115 160 C ATOM 1037 C ALA B 6 -0.648 -16.711 -13.276 1.00 24.27 C ANISOU 1037 C ALA B 6 3732 3027 2459 339 -270 89 C ATOM 1038 O ALA B 6 -1.120 -17.000 -12.189 1.00 22.87 O ANISOU 1038 O ALA B 6 3328 2908 2453 197 -318 97 O ATOM 1039 CB ALA B 6 0.285 -14.371 -13.607 1.00 25.56 C ANISOU 1039 CB ALA B 6 3784 3070 2855 461 -74 248 C ATOM 0 H ALA B 6 1.847 -15.725 -14.924 1.00 27.63 H new ATOM 0 HA ALA B 6 0.997 -15.957 -12.471 1.00 24.62 H new ATOM 0 HB1 ALA B 6 -0.381 -14.069 -12.969 1.00 25.56 H new ATOM 0 HB2 ALA B 6 1.092 -13.843 -13.505 1.00 25.56 H new ATOM 0 HB3 ALA B 6 -0.059 -14.265 -14.508 1.00 25.56 H new ATOM 1040 N GLN B 7 -1.206 -17.115 -14.428 1.00 24.73 N ANISOU 1040 N GLN B 7 3690 3309 2396 210 -494 43 N ATOM 1041 CA GLN B 7 -2.337 -18.029 -14.457 1.00 27.24 C ANISOU 1041 CA GLN B 7 4157 3458 2733 182 -415 88 C ATOM 1042 C GLN B 7 -2.008 -19.354 -13.775 1.00 25.79 C ANISOU 1042 C GLN B 7 4030 3345 2422 49 -404 -109 C ATOM 1043 O GLN B 7 -2.818 -19.865 -12.984 1.00 27.00 O ANISOU 1043 O GLN B 7 4225 3635 2396 24 -621 -90 O ATOM 1044 CB GLN B 7 -2.809 -18.231 -15.927 1.00 27.76 C ANISOU 1044 CB GLN B 7 4144 3545 2857 198 -555 220 C ATOM 1045 CG GLN B 7 -3.556 -16.975 -16.432 1.00 32.07 C ANISOU 1045 CG GLN B 7 4348 3951 3883 298 -481 37 C ATOM 1046 CD GLN B 7 -4.309 -17.218 -17.749 1.00 34.46 C ANISOU 1046 CD GLN B 7 4852 4444 3796 82 -418 225 C ATOM 1047 OE1 GLN B 7 -4.898 -18.405 -17.898 1.00 39.81 O flip ANISOU 1047 OE1 GLN B 7 5256 4978 4889 167 -129 521 O ATOM 1048 NE2 GLN B 7 -4.376 -16.333 -18.597 1.00 36.28 N flip ANISOU 1048 NE2 GLN B 7 4884 4499 4399 106 -480 -27 N ATOM 0 H GLN B 7 -0.935 -16.864 -15.205 1.00 24.73 H new ATOM 0 HA GLN B 7 -3.067 -17.638 -13.952 1.00 27.24 H new ATOM 0 HB2 GLN B 7 -2.044 -18.410 -16.496 1.00 27.76 H new ATOM 0 HB3 GLN B 7 -3.391 -19.005 -15.982 1.00 27.76 H new ATOM 0 HG2 GLN B 7 -4.185 -16.684 -15.754 1.00 32.07 H new ATOM 0 HG3 GLN B 7 -2.919 -16.254 -16.557 1.00 32.07 H new ATOM 0 HE21 GLN B 7 -3.982 -15.580 -18.465 1.00 36.28 H new ATOM 0 HE22 GLN B 7 -4.817 -16.466 -19.323 1.00 36.28 H new ATOM 1049 N GLU B 8 -0.795 -19.842 -14.042 1.00 25.01 N ANISOU 1049 N GLU B 8 4024 3188 2288 282 -465 -204 N ATOM 1050 CA GLU B 8 -0.344 -21.103 -13.450 1.00 25.26 C ANISOU 1050 CA GLU B 8 4074 3218 2303 187 -289 -22 C ATOM 1051 C GLU B 8 -0.145 -21.030 -11.936 1.00 23.88 C ANISOU 1051 C GLU B 8 3928 2971 2170 176 -201 -172 C ATOM 1052 O GLU B 8 -0.554 -21.919 -11.237 1.00 23.81 O ANISOU 1052 O GLU B 8 3928 2912 2206 293 -291 -21 O ATOM 1053 CB GLU B 8 0.950 -21.586 -14.085 1.00 27.06 C ANISOU 1053 CB GLU B 8 4302 3534 2445 337 -155 -222 C ATOM 1054 CG GLU B 8 0.685 -22.224 -15.485 1.00 31.47 C ANISOU 1054 CG GLU B 8 4773 4157 3027 97 -165 -342 C ATOM 1055 CD GLU B 8 1.954 -22.377 -16.292 1.00 34.68 C ANISOU 1055 CD GLU B 8 5145 4830 3202 208 30 -338 C ATOM 1056 OE1 GLU B 8 3.071 -22.024 -15.810 1.00 34.74 O ANISOU 1056 OE1 GLU B 8 4833 4886 3478 283 651 -726 O ATOM 1057 OE2 GLU B 8 1.850 -22.875 -17.447 1.00 41.72 O ANISOU 1057 OE2 GLU B 8 6202 5546 4103 164 -232 -813 O ATOM 0 H GLU B 8 -0.222 -19.462 -14.559 1.00 25.01 H new ATOM 0 HA GLU B 8 -1.060 -21.732 -13.629 1.00 25.26 H new ATOM 0 HB2 GLU B 8 1.566 -20.842 -14.177 1.00 27.06 H new ATOM 0 HB3 GLU B 8 1.375 -22.237 -13.505 1.00 27.06 H new ATOM 0 HG2 GLU B 8 0.270 -23.093 -15.369 1.00 31.47 H new ATOM 0 HG3 GLU B 8 0.056 -21.673 -15.976 1.00 31.47 H new ATOM 1058 N VAL B 9 0.363 -19.911 -11.458 1.00 22.42 N ANISOU 1058 N VAL B 9 3397 2800 2321 95 -174 -78 N ATOM 1059 CA VAL B 9 0.430 -19.637 -10.013 1.00 21.29 C ANISOU 1059 CA VAL B 9 3207 2789 2091 177 -156 -62 C ATOM 1060 C VAL B 9 -0.971 -19.598 -9.399 1.00 20.26 C ANISOU 1060 C VAL B 9 3020 2546 2130 242 -301 -31 C ATOM 1061 O VAL B 9 -1.228 -20.181 -8.348 1.00 19.85 O ANISOU 1061 O VAL B 9 2970 2408 2162 86 -305 -62 O ATOM 1062 CB VAL B 9 1.146 -18.318 -9.736 1.00 20.08 C ANISOU 1062 CB VAL B 9 2488 2894 2245 216 -42 -48 C ATOM 1063 CG1 VAL B 9 1.027 -17.898 -8.264 1.00 19.53 C ANISOU 1063 CG1 VAL B 9 2112 2977 2330 309 -160 -76 C ATOM 1064 CG2 VAL B 9 2.588 -18.436 -10.078 1.00 20.69 C ANISOU 1064 CG2 VAL B 9 2511 3051 2297 -83 -84 -59 C ATOM 0 H VAL B 9 0.681 -19.282 -11.951 1.00 22.42 H new ATOM 0 HA VAL B 9 0.934 -20.358 -9.604 1.00 21.29 H new ATOM 0 HB VAL B 9 0.720 -17.643 -10.287 1.00 20.08 H new ATOM 0 HG11 VAL B 9 1.493 -17.058 -8.128 1.00 19.53 H new ATOM 0 HG12 VAL B 9 0.091 -17.789 -8.033 1.00 19.53 H new ATOM 0 HG13 VAL B 9 1.421 -18.581 -7.699 1.00 19.53 H new ATOM 0 HG21 VAL B 9 3.033 -17.593 -9.898 1.00 20.69 H new ATOM 0 HG22 VAL B 9 2.992 -19.136 -9.541 1.00 20.69 H new ATOM 0 HG23 VAL B 9 2.681 -18.656 -11.018 1.00 20.69 H new ATOM 1065 N GLN B 10 -1.934 -18.947 -10.077 1.00 21.17 N ANISOU 1065 N GLN B 10 2961 2791 2290 275 -430 -29 N ATOM 1066 CA GLN B 10 -3.291 -18.938 -9.512 1.00 21.29 C ANISOU 1066 CA GLN B 10 2941 2713 2433 140 -526 124 C ATOM 1067 C GLN B 10 -3.771 -20.390 -9.357 1.00 21.22 C ANISOU 1067 C GLN B 10 2963 2767 2332 213 -609 11 C ATOM 1068 O GLN B 10 -4.389 -20.742 -8.349 1.00 22.21 O ANISOU 1068 O GLN B 10 3056 2778 2601 123 -528 -97 O ATOM 1069 CB GLN B 10 -4.287 -18.142 -10.379 1.00 23.72 C ANISOU 1069 CB GLN B 10 3438 2879 2694 167 -486 118 C ATOM 1070 CG GLN B 10 -4.098 -16.675 -10.319 1.00 25.70 C ANISOU 1070 CG GLN B 10 3143 3251 3370 187 -567 294 C ATOM 1071 CD GLN B 10 -5.253 -15.936 -10.902 1.00 28.95 C ANISOU 1071 CD GLN B 10 3553 3964 3480 226 -550 226 C ATOM 1072 OE1 GLN B 10 -5.694 -16.230 -12.014 1.00 30.41 O ANISOU 1072 OE1 GLN B 10 3694 4341 3518 -162 -1216 397 O ATOM 1073 NE2 GLN B 10 -5.750 -14.924 -10.151 1.00 31.57 N ANISOU 1073 NE2 GLN B 10 4868 3373 3754 96 -488 89 N ATOM 0 H GLN B 10 -1.831 -18.529 -10.821 1.00 21.17 H new ATOM 0 HA GLN B 10 -3.255 -18.495 -8.650 1.00 21.29 H new ATOM 0 HB2 GLN B 10 -4.203 -18.432 -11.301 1.00 23.72 H new ATOM 0 HB3 GLN B 10 -5.190 -18.354 -10.096 1.00 23.72 H new ATOM 0 HG2 GLN B 10 -3.975 -16.404 -9.396 1.00 25.70 H new ATOM 0 HG3 GLN B 10 -3.288 -16.435 -10.796 1.00 25.70 H new ATOM 0 HE21 GLN B 10 -5.410 -14.754 -9.379 1.00 31.57 H new ATOM 0 HE22 GLN B 10 -6.405 -14.451 -10.446 1.00 31.57 H new ATOM 1074 N GLY B 11 -3.556 -21.207 -10.391 1.00 21.18 N ANISOU 1074 N GLY B 11 2993 2678 2376 193 -635 -1 N ATOM 1075 CA GLY B 11 -4.001 -22.566 -10.341 1.00 21.86 C ANISOU 1075 CA GLY B 11 3312 2642 2348 119 -623 -46 C ATOM 1076 C GLY B 11 -3.310 -23.394 -9.253 1.00 19.13 C ANISOU 1076 C GLY B 11 2441 2571 2256 227 -478 -159 C ATOM 1077 O GLY B 11 -3.972 -24.171 -8.516 1.00 21.62 O ANISOU 1077 O GLY B 11 3037 2685 2492 70 -759 -144 O ATOM 0 H GLY B 11 -3.156 -20.981 -11.118 1.00 21.18 H new ATOM 0 HA2 GLY B 11 -4.959 -22.580 -10.189 1.00 21.86 H new ATOM 0 HA3 GLY B 11 -3.844 -22.982 -11.203 1.00 21.86 H new ATOM 1078 N LEU B 12 -2.007 -23.190 -9.117 1.00 18.18 N ANISOU 1078 N LEU B 12 2319 2494 2093 146 -490 -168 N ATOM 1079 CA LEU B 12 -1.215 -23.955 -8.109 1.00 18.33 C ANISOU 1079 CA LEU B 12 2554 2419 1988 81 -315 -21 C ATOM 1080 C LEU B 12 -1.641 -23.585 -6.702 1.00 17.13 C ANISOU 1080 C LEU B 12 2212 2281 2015 121 -271 -90 C ATOM 1081 O LEU B 12 -1.801 -24.442 -5.836 1.00 17.32 O ANISOU 1081 O LEU B 12 2161 2281 2135 150 -482 -108 O ATOM 1082 CB LEU B 12 0.248 -23.722 -8.296 1.00 20.02 C ANISOU 1082 CB LEU B 12 2785 2708 2111 192 157 -247 C ATOM 1083 CG LEU B 12 0.859 -24.425 -9.526 1.00 21.35 C ANISOU 1083 CG LEU B 12 2953 2839 2320 254 -41 -239 C ATOM 1084 CD1 LEU B 12 2.181 -23.805 -9.878 1.00 24.39 C ANISOU 1084 CD1 LEU B 12 2886 3393 2985 401 676 -411 C ATOM 1085 CD2 LEU B 12 0.993 -25.897 -9.267 1.00 24.81 C ANISOU 1085 CD2 LEU B 12 3928 2755 2741 660 28 -303 C ATOM 0 H LEU B 12 -1.552 -22.627 -9.582 1.00 18.18 H new ATOM 0 HA LEU B 12 -1.389 -24.900 -8.241 1.00 18.33 H new ATOM 0 HB2 LEU B 12 0.404 -22.768 -8.373 1.00 20.02 H new ATOM 0 HB3 LEU B 12 0.716 -24.023 -7.501 1.00 20.02 H new ATOM 0 HG LEU B 12 0.267 -24.309 -10.285 1.00 21.35 H new ATOM 0 HD11 LEU B 12 2.554 -24.255 -10.652 1.00 24.39 H new ATOM 0 HD12 LEU B 12 2.054 -22.865 -10.082 1.00 24.39 H new ATOM 0 HD13 LEU B 12 2.790 -23.893 -9.128 1.00 24.39 H new ATOM 0 HD21 LEU B 12 1.378 -26.329 -10.046 1.00 24.81 H new ATOM 0 HD22 LEU B 12 1.570 -26.040 -8.500 1.00 24.81 H new ATOM 0 HD23 LEU B 12 0.118 -26.275 -9.087 1.00 24.81 H new ATOM 1086 N AMET B 13 -1.824 -22.288 -6.449 0.60 16.90 N ANISOU 1086 N AMET B 13 2014 2287 2119 229 -261 -35 N ATOM 1087 N BMET B 13 -1.805 -22.284 -6.502 0.40 17.05 N ANISOU 1087 N BMET B 13 1978 2333 2167 202 -269 -63 N ATOM 1088 CA AMET B 13 -2.205 -21.925 -5.081 0.60 15.59 C ANISOU 1088 CA AMET B 13 1677 2151 2094 69 -107 -86 C ATOM 1089 CA BMET B 13 -2.199 -21.777 -5.209 0.40 16.42 C ANISOU 1089 CA BMET B 13 1667 2336 2233 121 -229 -117 C ATOM 1090 C AMET B 13 -3.632 -22.322 -4.730 0.60 15.84 C ANISOU 1090 C AMET B 13 1689 2122 2208 74 -182 -43 C ATOM 1091 C BMET B 13 -3.585 -22.317 -4.792 0.40 16.42 C ANISOU 1091 C BMET B 13 1682 2239 2317 131 -233 -70 C ATOM 1092 O AMET B 13 -3.934 -22.659 -3.594 0.60 16.58 O ANISOU 1092 O AMET B 13 1714 2190 2393 108 -137 -172 O ATOM 1093 O BMET B 13 -3.794 -22.799 -3.684 0.40 15.96 O ANISOU 1093 O BMET B 13 1396 2259 2408 240 -261 -162 O ATOM 1094 CB AMET B 13 -1.994 -20.422 -4.877 0.60 16.35 C ANISOU 1094 CB AMET B 13 1606 2276 2329 173 -27 56 C ATOM 1095 CB BMET B 13 -2.147 -20.248 -5.303 0.40 15.46 C ANISOU 1095 CB BMET B 13 1291 2318 2263 153 -198 -183 C ATOM 1096 CG AMET B 13 -0.498 -20.117 -4.992 0.60 13.84 C ANISOU 1096 CG AMET B 13 915 2240 2103 192 -259 52 C ATOM 1097 CG BMET B 13 -0.710 -19.732 -5.537 0.40 17.82 C ANISOU 1097 CG BMET B 13 1480 2774 2516 135 -128 -15 C ATOM 1098 SD AMET B 13 0.048 -18.384 -4.738 0.60 14.33 S ANISOU 1098 SD AMET B 13 1241 2153 2049 165 -6 -75 S ATOM 1099 SD BMET B 13 0.082 -19.649 -3.981 0.40 20.60 S ANISOU 1099 SD BMET B 13 1371 3785 2668 -55 27 -527 S ATOM 1100 CE AMET B 13 -0.270 -18.238 -2.922 0.60 12.97 C ANISOU 1100 CE AMET B 13 749 2086 2090 -123 -235 -166 C ATOM 1101 CE BMET B 13 -0.701 -18.183 -3.326 0.40 24.23 C ANISOU 1101 CE BMET B 13 2641 3008 3555 241 -51 -209 C ATOM 0 H AMET B 13 -1.740 -21.642 -7.010 0.60 17.05 H new ATOM 0 H BMET B 13 -1.692 -21.682 -7.106 0.40 17.05 H new ATOM 0 HA AMET B 13 -1.634 -22.426 -4.478 0.60 16.42 H new ATOM 0 HA BMET B 13 -1.598 -22.079 -4.510 0.40 16.42 H new ATOM 0 HB2AMET B 13 -2.492 -19.919 -5.541 0.60 15.46 H new ATOM 0 HB2BMET B 13 -2.719 -19.950 -6.027 0.40 15.46 H new ATOM 0 HB3AMET B 13 -2.327 -20.151 -4.007 0.60 15.46 H new ATOM 0 HB3BMET B 13 -2.499 -19.862 -4.486 0.40 15.46 H new ATOM 0 HG2AMET B 13 -0.031 -20.673 -4.349 0.60 17.82 H new ATOM 0 HG2BMET B 13 -0.228 -20.326 -6.134 0.40 17.82 H new ATOM 0 HG3AMET B 13 -0.205 -20.395 -5.874 0.60 17.82 H new ATOM 0 HG3BMET B 13 -0.726 -18.858 -5.958 0.40 17.82 H new ATOM 0 HE1AMET B 13 -0.874 -17.497 -2.758 0.60 24.23 H new ATOM 0 HE1BMET B 13 -0.355 -18.000 -2.438 0.40 24.23 H new ATOM 0 HE2AMET B 13 -0.671 -19.059 -2.596 0.60 24.23 H new ATOM 0 HE2BMET B 13 -0.514 -17.429 -3.907 0.40 24.23 H new ATOM 0 HE3AMET B 13 0.567 -18.081 -2.458 0.60 24.23 H new ATOM 0 HE3BMET B 13 -1.660 -18.323 -3.276 0.40 24.23 H new ATOM 1102 N ALA B 14 -4.516 -22.292 -5.743 1.00 18.33 N ANISOU 1102 N ALA B 14 2047 2345 2571 72 -401 -44 N ATOM 1103 CA ALA B 14 -5.870 -22.813 -5.506 1.00 19.13 C ANISOU 1103 CA ALA B 14 2051 2346 2872 113 -509 56 C ATOM 1104 C ALA B 14 -5.884 -24.327 -5.241 1.00 19.06 C ANISOU 1104 C ALA B 14 2081 2553 2607 34 -576 -11 C ATOM 1105 O ALA B 14 -6.601 -24.791 -4.337 1.00 19.84 O ANISOU 1105 O ALA B 14 2004 2356 3176 122 -500 89 O ATOM 1106 CB ALA B 14 -6.763 -22.417 -6.671 1.00 22.32 C ANISOU 1106 CB ALA B 14 2517 2934 3029 82 -636 100 C ATOM 0 H AALA B 14 -4.362 -21.991 -6.534 0.60 18.33 H new ATOM 0 H BALA B 14 -4.388 -21.979 -6.534 0.40 18.33 H new ATOM 0 HA ALA B 14 -6.219 -22.415 -4.693 1.00 19.13 H new ATOM 0 HB1 ALA B 14 -7.659 -22.757 -6.522 1.00 22.32 H new ATOM 0 HB2 ALA B 14 -6.792 -21.450 -6.742 1.00 22.32 H new ATOM 0 HB3 ALA B 14 -6.408 -22.791 -7.493 1.00 22.32 H new ATOM 1107 N ARG B 15 -4.996 -25.044 -5.950 1.00 18.51 N ANISOU 1107 N ARG B 15 2232 2301 2500 178 -695 -57 N ATOM 1108 CA ARG B 15 -4.850 -26.483 -5.735 1.00 18.86 C ANISOU 1108 CA ARG B 15 2584 2245 2336 81 -539 -225 C ATOM 1109 C ARG B 15 -4.353 -26.730 -4.302 1.00 16.94 C ANISOU 1109 C ARG B 15 2019 2123 2293 143 -545 -92 C ATOM 1110 O ARG B 15 -4.853 -27.597 -3.599 1.00 19.55 O ANISOU 1110 O ARG B 15 2856 2087 2482 2 -748 -127 O ATOM 1111 CB ARG B 15 -3.811 -27.066 -6.706 1.00 20.81 C ANISOU 1111 CB ARG B 15 2920 2431 2552 252 -393 -282 C ATOM 1112 CG ARG B 15 -3.497 -28.549 -6.388 1.00 25.69 C ANISOU 1112 CG ARG B 15 3763 2718 3281 457 -626 -76 C ATOM 1113 CD ARG B 15 -3.660 -29.504 -7.594 1.00 30.53 C ANISOU 1113 CD ARG B 15 4408 3239 3953 262 -90 -106 C ATOM 1114 NE ARG B 15 -3.458 -30.937 -7.226 1.00 28.70 N ANISOU 1114 NE ARG B 15 4000 3205 3697 252 311 208 N ATOM 1115 CZ ARG B 15 -2.269 -31.444 -6.934 1.00 29.71 C ANISOU 1115 CZ ARG B 15 3799 3619 3869 -71 285 128 C ATOM 1116 NH1 ARG B 15 -1.192 -30.672 -6.987 1.00 30.20 N ANISOU 1116 NH1 ARG B 15 3932 3954 3586 -525 437 -164 N ATOM 1117 NH2 ARG B 15 -2.119 -32.690 -6.556 1.00 24.87 N ANISOU 1117 NH2 ARG B 15 2309 3325 3815 146 515 -263 N ATOM 0 H ARG B 15 -4.477 -24.715 -6.552 1.00 18.51 H new ATOM 0 HA ARG B 15 -5.710 -26.907 -5.882 1.00 18.86 H new ATOM 0 HB2 ARG B 15 -4.141 -26.993 -7.615 1.00 20.81 H new ATOM 0 HB3 ARG B 15 -2.994 -26.545 -6.658 1.00 20.81 H new ATOM 0 HG2 ARG B 15 -2.587 -28.613 -6.058 1.00 25.69 H new ATOM 0 HG3 ARG B 15 -4.080 -28.846 -5.672 1.00 25.69 H new ATOM 0 HD2 ARG B 15 -4.546 -29.393 -7.972 1.00 30.53 H new ATOM 0 HD3 ARG B 15 -3.024 -29.259 -8.284 1.00 30.53 H new ATOM 0 HE ARG B 15 -4.143 -31.456 -7.203 1.00 28.70 H new ATOM 0 HH11 ARG B 15 -1.266 -29.845 -7.210 1.00 30.20 H new ATOM 0 HH12 ARG B 15 -0.419 -30.999 -6.798 1.00 30.20 H new ATOM 0 HH21 ARG B 15 -2.805 -33.205 -6.491 1.00 24.87 H new ATOM 0 HH22 ARG B 15 -1.335 -32.992 -6.373 1.00 24.87 H new ATOM 1118 N TYR B 16 -3.381 -25.914 -3.849 1.00 15.73 N ANISOU 1118 N TYR B 16 1533 2226 2216 -68 -403 -249 N ATOM 1119 CA TYR B 16 -2.876 -26.053 -2.475 1.00 16.08 C ANISOU 1119 CA TYR B 16 1739 2094 2275 -72 -161 -249 C ATOM 1120 C TYR B 16 -4.027 -25.975 -1.481 1.00 15.67 C ANISOU 1120 C TYR B 16 1320 2209 2423 -74 -501 -154 C ATOM 1121 O TYR B 16 -4.153 -26.806 -0.553 1.00 15.36 O ANISOU 1121 O TYR B 16 1281 2008 2547 -158 -383 -114 O ATOM 1122 CB TYR B 16 -1.822 -24.996 -2.192 1.00 15.51 C ANISOU 1122 CB TYR B 16 1486 2113 2290 -155 -152 -254 C ATOM 1123 CG TYR B 16 -1.411 -24.971 -0.762 1.00 15.50 C ANISOU 1123 CG TYR B 16 1198 2389 2301 -71 -158 -194 C ATOM 1124 CD1 TYR B 16 -0.291 -25.745 -0.229 1.00 15.56 C ANISOU 1124 CD1 TYR B 16 384 2726 2803 -361 -309 -290 C ATOM 1125 CD2 TYR B 16 -2.073 -24.070 0.122 1.00 16.91 C ANISOU 1125 CD2 TYR B 16 1776 2270 2376 -376 203 -329 C ATOM 1126 CE1 TYR B 16 -0.038 -25.674 1.095 1.00 16.15 C ANISOU 1126 CE1 TYR B 16 1278 2499 2357 155 -331 -306 C ATOM 1127 CE2 TYR B 16 -1.698 -23.961 1.438 1.00 17.08 C ANISOU 1127 CE2 TYR B 16 1642 2231 2615 -263 -253 -179 C ATOM 1128 CZ TYR B 16 -0.687 -24.768 1.910 1.00 16.57 C ANISOU 1128 CZ TYR B 16 1394 2377 2522 0 -166 -174 C ATOM 1129 OH TYR B 16 -0.367 -24.708 3.269 1.00 17.72 O ANISOU 1129 OH TYR B 16 1923 2405 2404 81 -143 -196 O ATOM 0 H TYR B 16 -3.012 -25.290 -4.311 1.00 15.73 H new ATOM 0 HA TYR B 16 -2.457 -26.922 -2.376 1.00 16.08 H new ATOM 0 HB2 TYR B 16 -1.044 -25.163 -2.746 1.00 15.51 H new ATOM 0 HB3 TYR B 16 -2.167 -24.124 -2.442 1.00 15.51 H new ATOM 0 HD1 TYR B 16 0.233 -26.272 -0.787 1.00 15.56 H new ATOM 0 HD2 TYR B 16 -2.772 -23.546 -0.199 1.00 16.91 H new ATOM 0 HE1 TYR B 16 0.590 -26.250 1.468 1.00 16.15 H new ATOM 0 HE2 TYR B 16 -2.119 -23.353 2.001 1.00 17.08 H new ATOM 0 HH TYR B 16 -0.353 -23.906 3.519 1.00 17.72 H new ATOM 1130 N ILE B 17 -4.911 -24.965 -1.630 1.00 14.84 N ANISOU 1130 N ILE B 17 1012 2060 2566 47 -398 -321 N ATOM 1131 CA ILE B 17 -5.985 -24.860 -0.695 1.00 17.14 C ANISOU 1131 CA ILE B 17 1610 1917 2985 9 -120 -163 C ATOM 1132 C ILE B 17 -6.936 -26.075 -0.782 1.00 15.85 C ANISOU 1132 C ILE B 17 1217 2185 2621 103 -281 -191 C ATOM 1133 O ILE B 17 -7.392 -26.538 0.243 1.00 16.72 O ANISOU 1133 O ILE B 17 1125 2369 2858 -149 -476 -50 O ATOM 1134 CB ILE B 17 -6.765 -23.567 -0.933 1.00 18.04 C ANISOU 1134 CB ILE B 17 1549 2147 3156 83 2 -100 C ATOM 1135 CG1 ILE B 17 -5.912 -22.351 -0.631 1.00 20.56 C ANISOU 1135 CG1 ILE B 17 2297 2176 3337 -413 -183 56 C ATOM 1136 CG2 ILE B 17 -7.985 -23.539 -0.088 1.00 21.01 C ANISOU 1136 CG2 ILE B 17 1655 2489 3840 305 462 -149 C ATOM 1137 CD1 ILE B 17 -5.503 -22.282 0.812 1.00 24.16 C ANISOU 1137 CD1 ILE B 17 3143 2921 3116 -363 221 -263 C ATOM 0 H ILE B 17 -4.889 -24.366 -2.247 1.00 14.84 H new ATOM 0 HA ILE B 17 -5.601 -24.846 0.196 1.00 17.14 H new ATOM 0 HB ILE B 17 -7.019 -23.542 -1.869 1.00 18.04 H new ATOM 0 HG12 ILE B 17 -5.119 -22.369 -1.189 1.00 20.56 H new ATOM 0 HG13 ILE B 17 -6.404 -21.548 -0.864 1.00 20.56 H new ATOM 0 HG21 ILE B 17 -8.471 -22.715 -0.248 1.00 21.01 H new ATOM 0 HG22 ILE B 17 -8.550 -24.295 -0.310 1.00 21.01 H new ATOM 0 HG23 ILE B 17 -7.732 -23.589 0.847 1.00 21.01 H new ATOM 0 HD11 ILE B 17 -4.961 -21.491 0.957 1.00 24.16 H new ATOM 0 HD12 ILE B 17 -6.294 -22.238 1.371 1.00 24.16 H new ATOM 0 HD13 ILE B 17 -4.989 -23.072 1.041 1.00 24.16 H new ATOM 1138 N GLU B 18 -7.144 -26.612 -1.971 1.00 18.37 N ANISOU 1138 N GLU B 18 1959 2073 2948 -57 -485 -164 N ATOM 1139 CA GLU B 18 -8.006 -27.790 -2.127 1.00 19.42 C ANISOU 1139 CA GLU B 18 2092 2312 2975 -124 -439 -208 C ATOM 1140 C GLU B 18 -7.399 -28.972 -1.386 1.00 19.18 C ANISOU 1140 C GLU B 18 1920 2194 3173 -89 -436 -155 C ATOM 1141 O GLU B 18 -8.123 -29.745 -0.703 1.00 20.19 O ANISOU 1141 O GLU B 18 1807 2373 3490 -220 -599 -186 O ATOM 1142 CB GLU B 18 -8.124 -28.091 -3.602 1.00 20.88 C ANISOU 1142 CB GLU B 18 2158 2535 3237 -224 -883 -204 C ATOM 1143 CG GLU B 18 -9.249 -27.222 -4.215 1.00 27.54 C ANISOU 1143 CG GLU B 18 2660 3817 3986 256 -743 36 C ATOM 1144 CD GLU B 18 -10.579 -27.018 -3.352 1.00 36.14 C ANISOU 1144 CD GLU B 18 4155 4649 4926 37 -88 -3 C ATOM 1145 OE1 GLU B 18 -10.812 -25.905 -2.852 1.00 35.38 O ANISOU 1145 OE1 GLU B 18 3573 4964 4906 206 -172 -407 O ATOM 1146 OE2 GLU B 18 -11.430 -27.947 -3.205 1.00 39.29 O ANISOU 1146 OE2 GLU B 18 3926 5419 5582 -266 -425 200 O ATOM 0 H GLU B 18 -6.801 -26.318 -2.703 1.00 18.37 H new ATOM 0 HA GLU B 18 -8.886 -27.622 -1.755 1.00 19.42 H new ATOM 0 HB2 GLU B 18 -7.282 -27.909 -4.048 1.00 20.88 H new ATOM 0 HB3 GLU B 18 -8.319 -29.032 -3.736 1.00 20.88 H new ATOM 0 HG2 GLU B 18 -8.879 -26.346 -4.407 1.00 27.54 H new ATOM 0 HG3 GLU B 18 -9.501 -27.615 -5.065 1.00 27.54 H new ATOM 1147 N LEU B 19 -6.058 -29.107 -1.473 1.00 17.72 N ANISOU 1147 N LEU B 19 1735 2124 2872 38 -545 -191 N ATOM 1148 CA LEU B 19 -5.376 -30.208 -0.809 1.00 16.83 C ANISOU 1148 CA LEU B 19 1243 2198 2953 -169 -233 79 C ATOM 1149 C LEU B 19 -5.439 -30.030 0.723 1.00 15.92 C ANISOU 1149 C LEU B 19 1062 2094 2890 -239 -343 35 C ATOM 1150 O LEU B 19 -5.470 -31.006 1.493 1.00 17.76 O ANISOU 1150 O LEU B 19 1251 2183 3311 -537 -283 127 O ATOM 1151 CB LEU B 19 -3.964 -30.396 -1.304 1.00 17.50 C ANISOU 1151 CB LEU B 19 1444 2080 3123 -67 -193 -22 C ATOM 1152 CG LEU B 19 -3.815 -30.690 -2.799 1.00 18.94 C ANISOU 1152 CG LEU B 19 1919 2275 3001 -156 -89 -91 C ATOM 1153 CD1 LEU B 19 -2.291 -30.771 -3.112 1.00 18.87 C ANISOU 1153 CD1 LEU B 19 1418 2200 3550 -81 -320 -22 C ATOM 1154 CD2 LEU B 19 -4.500 -31.970 -3.176 1.00 21.14 C ANISOU 1154 CD2 LEU B 19 2681 2160 3188 -367 -353 -298 C ATOM 0 H LEU B 19 -5.543 -28.573 -1.908 1.00 17.72 H new ATOM 0 HA LEU B 19 -5.844 -31.027 -1.037 1.00 16.83 H new ATOM 0 HB2 LEU B 19 -3.458 -29.595 -1.097 1.00 17.50 H new ATOM 0 HB3 LEU B 19 -3.559 -31.124 -0.807 1.00 17.50 H new ATOM 0 HG LEU B 19 -4.234 -29.985 -3.317 1.00 18.94 H new ATOM 0 HD11 LEU B 19 -2.164 -30.957 -4.055 1.00 18.87 H new ATOM 0 HD12 LEU B 19 -1.869 -29.926 -2.890 1.00 18.87 H new ATOM 0 HD13 LEU B 19 -1.890 -31.480 -2.586 1.00 18.87 H new ATOM 0 HD21 LEU B 19 -4.389 -32.129 -4.126 1.00 21.14 H new ATOM 0 HD22 LEU B 19 -4.110 -32.705 -2.678 1.00 21.14 H new ATOM 0 HD23 LEU B 19 -5.445 -31.905 -2.968 1.00 21.14 H new ATOM 1155 N VAL B 20 -5.247 -28.785 1.188 1.00 17.09 N ANISOU 1155 N VAL B 20 1294 2139 3057 -138 -269 -162 N ATOM 1156 CA VAL B 20 -5.378 -28.590 2.631 1.00 18.68 C ANISOU 1156 CA VAL B 20 2017 2146 2934 -346 -122 78 C ATOM 1157 C VAL B 20 -6.797 -28.929 3.104 1.00 19.41 C ANISOU 1157 C VAL B 20 2181 2210 2982 -279 -152 42 C ATOM 1158 O VAL B 20 -6.994 -29.583 4.134 1.00 21.70 O ANISOU 1158 O VAL B 20 2306 2613 3323 -187 -122 112 O ATOM 1159 CB VAL B 20 -4.912 -27.159 2.996 1.00 17.89 C ANISOU 1159 CB VAL B 20 1740 2226 2830 -350 -479 -154 C ATOM 1160 CG1 VAL B 20 -5.319 -26.830 4.453 1.00 20.26 C ANISOU 1160 CG1 VAL B 20 2044 2740 2912 -298 -165 50 C ATOM 1161 CG2 VAL B 20 -3.457 -27.000 2.729 1.00 18.10 C ANISOU 1161 CG2 VAL B 20 1761 2238 2877 -525 -237 8 C ATOM 0 H VAL B 20 -5.054 -28.090 0.720 1.00 17.09 H new ATOM 0 HA VAL B 20 -4.800 -29.205 3.109 1.00 18.68 H new ATOM 0 HB VAL B 20 -5.357 -26.509 2.430 1.00 17.89 H new ATOM 0 HG11 VAL B 20 -5.025 -25.933 4.677 1.00 20.26 H new ATOM 0 HG12 VAL B 20 -6.284 -26.885 4.540 1.00 20.26 H new ATOM 0 HG13 VAL B 20 -4.904 -27.466 5.057 1.00 20.26 H new ATOM 0 HG21 VAL B 20 -3.181 -26.100 2.962 1.00 18.10 H new ATOM 0 HG22 VAL B 20 -2.958 -27.639 3.262 1.00 18.10 H new ATOM 0 HG23 VAL B 20 -3.281 -27.158 1.788 1.00 18.10 H new ATOM 1162 N ASP B 21 -7.761 -28.483 2.321 1.00 19.73 N ANISOU 1162 N ASP B 21 2241 2223 3030 -175 -18 -4 N ATOM 1163 CA ASP B 21 -9.165 -28.740 2.669 1.00 20.96 C ANISOU 1163 CA ASP B 21 2336 2118 3509 -323 24 -127 C ATOM 1164 C ASP B 21 -9.540 -30.222 2.785 1.00 21.50 C ANISOU 1164 C ASP B 21 2091 2373 3704 -280 138 -79 C ATOM 1165 O ASP B 21 -10.264 -30.595 3.682 1.00 26.47 O ANISOU 1165 O ASP B 21 3264 2781 4009 -409 316 31 O ATOM 1166 CB ASP B 21 -10.018 -28.052 1.642 1.00 20.31 C ANISOU 1166 CB ASP B 21 1808 2456 3450 -194 -19 -297 C ATOM 1167 CG ASP B 21 -11.502 -28.154 1.989 1.00 23.06 C ANISOU 1167 CG ASP B 21 2136 2927 3697 -760 171 -455 C ATOM 1168 OD1 ASP B 21 -11.971 -27.676 3.068 1.00 24.74 O ANISOU 1168 OD1 ASP B 21 2337 2883 4178 -398 204 -446 O ATOM 1169 OD2 ASP B 21 -12.252 -28.788 1.191 1.00 29.36 O ANISOU 1169 OD2 ASP B 21 2820 3832 4502 -617 -393 -693 O ATOM 0 H ASP B 21 -7.639 -28.037 1.596 1.00 19.73 H new ATOM 0 HA ASP B 21 -9.316 -28.388 3.560 1.00 20.96 H new ATOM 0 HB2 ASP B 21 -9.762 -27.118 1.580 1.00 20.31 H new ATOM 0 HB3 ASP B 21 -9.860 -28.448 0.771 1.00 20.31 H new ATOM 1170 N VAL B 22 -8.986 -31.054 1.929 1.00 21.68 N ANISOU 1170 N VAL B 22 2189 2158 3890 -169 109 -59 N ATOM 1171 CA VAL B 22 -9.282 -32.459 2.097 1.00 23.31 C ANISOU 1171 CA VAL B 22 2358 2339 4159 -313 9 -41 C ATOM 1172 C VAL B 22 -8.304 -33.132 3.043 1.00 21.35 C ANISOU 1172 C VAL B 22 1677 2149 4285 -450 78 41 C ATOM 1173 O VAL B 22 -8.512 -34.236 3.544 1.00 24.62 O ANISOU 1173 O VAL B 22 2124 2322 4906 -486 148 197 O ATOM 1174 CB VAL B 22 -9.380 -33.245 0.810 1.00 26.81 C ANISOU 1174 CB VAL B 22 2763 3157 4264 -55 -17 -27 C ATOM 1175 CG1 VAL B 22 -10.632 -32.849 0.001 1.00 30.59 C ANISOU 1175 CG1 VAL B 22 3150 3911 4560 -128 -258 -163 C ATOM 1176 CG2 VAL B 22 -8.032 -33.342 0.045 1.00 24.58 C ANISOU 1176 CG2 VAL B 22 2768 2624 3945 -685 -87 -134 C ATOM 0 H VAL B 22 -8.464 -30.844 1.278 1.00 21.68 H new ATOM 0 HA VAL B 22 -10.170 -32.469 2.487 1.00 23.31 H new ATOM 0 HB VAL B 22 -9.538 -34.177 1.026 1.00 26.81 H new ATOM 0 HG11 VAL B 22 -10.667 -33.369 -0.817 1.00 30.59 H new ATOM 0 HG12 VAL B 22 -11.427 -33.023 0.529 1.00 30.59 H new ATOM 0 HG13 VAL B 22 -10.591 -31.905 -0.218 1.00 30.59 H new ATOM 0 HG21 VAL B 22 -8.157 -33.855 -0.768 1.00 24.58 H new ATOM 0 HG22 VAL B 22 -7.723 -32.451 -0.180 1.00 24.58 H new ATOM 0 HG23 VAL B 22 -7.373 -33.781 0.605 1.00 24.58 H new ATOM 1177 N GLY B 23 -7.129 -32.535 3.231 1.00 20.23 N ANISOU 1177 N GLY B 23 1461 2321 3901 -496 -12 -36 N ATOM 1178 CA GLY B 23 -6.215 -33.096 4.196 1.00 22.34 C ANISOU 1178 CA GLY B 23 2170 2441 3878 -78 -79 -39 C ATOM 1179 C GLY B 23 -5.273 -34.139 3.638 1.00 19.68 C ANISOU 1179 C GLY B 23 1430 2438 3608 -626 -21 5 C ATOM 1180 O GLY B 23 -4.898 -35.082 4.354 1.00 21.99 O ANISOU 1180 O GLY B 23 2100 2416 3839 -474 -239 177 O ATOM 0 H GLY B 23 -6.856 -31.829 2.822 1.00 20.23 H new ATOM 0 HA2 GLY B 23 -5.691 -32.378 4.583 1.00 22.34 H new ATOM 0 HA3 GLY B 23 -6.728 -33.493 4.917 1.00 22.34 H new ATOM 1181 N ASP B 24 -4.955 -34.024 2.345 1.00 20.99 N ANISOU 1181 N ASP B 24 1906 2587 3479 -682 -4 -101 N ATOM 1182 CA ASP B 24 -4.091 -35.024 1.693 1.00 20.57 C ANISOU 1182 CA ASP B 24 1675 2751 3387 -405 -107 -82 C ATOM 1183 C ASP B 24 -2.614 -34.600 1.883 1.00 20.19 C ANISOU 1183 C ASP B 24 1641 2810 3221 -455 -166 142 C ATOM 1184 O ASP B 24 -1.999 -33.874 1.061 1.00 18.53 O ANISOU 1184 O ASP B 24 1261 2643 3134 -242 -105 -39 O ATOM 1185 CB ASP B 24 -4.409 -35.108 0.219 1.00 20.68 C ANISOU 1185 CB ASP B 24 1716 2834 3303 -362 -186 -195 C ATOM 1186 CG ASP B 24 -3.722 -36.327 -0.465 1.00 20.52 C ANISOU 1186 CG ASP B 24 1489 2613 3695 -246 -25 -48 C ATOM 1187 OD1 ASP B 24 -2.618 -36.727 -0.054 1.00 21.71 O ANISOU 1187 OD1 ASP B 24 1465 2866 3914 -226 -279 176 O ATOM 1188 OD2 ASP B 24 -4.250 -36.843 -1.489 1.00 22.13 O ANISOU 1188 OD2 ASP B 24 1506 3172 3730 -733 15 -290 O ATOM 0 H ASP B 24 -5.222 -33.387 1.833 1.00 20.99 H new ATOM 0 HA ASP B 24 -4.244 -35.895 2.092 1.00 20.57 H new ATOM 0 HB2 ASP B 24 -5.370 -35.172 0.101 1.00 20.68 H new ATOM 0 HB3 ASP B 24 -4.123 -34.291 -0.219 1.00 20.68 H new ATOM 1189 N ILE B 25 -2.064 -35.033 3.022 1.00 20.12 N ANISOU 1189 N ILE B 25 1247 2984 3414 -497 -200 290 N ATOM 1190 CA ILE B 25 -0.723 -34.661 3.431 1.00 18.64 C ANISOU 1190 CA ILE B 25 661 2892 3527 -473 -3 208 C ATOM 1191 C ILE B 25 0.334 -34.994 2.373 1.00 18.57 C ANISOU 1191 C ILE B 25 1311 2404 3340 -7 -155 276 C ATOM 1192 O ILE B 25 1.116 -34.136 1.956 1.00 19.39 O ANISOU 1192 O ILE B 25 1392 2483 3492 -401 -90 344 O ATOM 1193 CB ILE B 25 -0.472 -35.417 4.731 1.00 20.48 C ANISOU 1193 CB ILE B 25 1141 3143 3495 -459 -205 140 C ATOM 1194 CG1 ILE B 25 -1.394 -35.019 5.878 1.00 27.21 C ANISOU 1194 CG1 ILE B 25 2838 3969 3530 -143 -93 72 C ATOM 1195 CG2 ILE B 25 0.990 -35.184 5.050 1.00 23.00 C ANISOU 1195 CG2 ILE B 25 1550 3377 3810 -410 70 160 C ATOM 1196 CD1 ILE B 25 -1.549 -33.631 6.101 1.00 30.54 C ANISOU 1196 CD1 ILE B 25 2958 4362 4282 -45 -116 124 C ATOM 0 H ILE B 25 -2.467 -35.553 3.576 1.00 20.12 H new ATOM 0 HA ILE B 25 -0.654 -33.701 3.550 1.00 18.64 H new ATOM 0 HB ILE B 25 -0.675 -36.359 4.617 1.00 20.48 H new ATOM 0 HG12 ILE B 25 -2.270 -35.401 5.712 1.00 27.21 H new ATOM 0 HG13 ILE B 25 -1.058 -35.423 6.693 1.00 27.21 H new ATOM 0 HG21 ILE B 25 1.219 -35.642 5.874 1.00 23.00 H new ATOM 0 HG22 ILE B 25 1.538 -35.527 4.327 1.00 23.00 H new ATOM 0 HG23 ILE B 25 1.151 -34.233 5.154 1.00 23.00 H new ATOM 0 HD11 ILE B 25 -2.151 -33.488 6.848 1.00 30.54 H new ATOM 0 HD12 ILE B 25 -0.686 -33.237 6.303 1.00 30.54 H new ATOM 0 HD13 ILE B 25 -1.916 -33.214 5.306 1.00 30.54 H new ATOM 1197 N GLU B 26 0.268 -36.181 1.798 1.00 20.19 N ANISOU 1197 N GLU B 26 1914 2426 3328 -248 -124 67 N ATOM 1198 CA GLU B 26 1.264 -36.569 0.814 1.00 21.63 C ANISOU 1198 CA GLU B 26 2061 2569 3586 -102 -29 -37 C ATOM 1199 C GLU B 26 1.143 -35.725 -0.453 1.00 20.08 C ANISOU 1199 C GLU B 26 1844 2377 3406 -198 -111 -70 C ATOM 1200 O GLU B 26 2.169 -35.336 -0.997 1.00 20.27 O ANISOU 1200 O GLU B 26 1913 2355 3432 -228 -15 -113 O ATOM 1201 CB GLU B 26 1.231 -38.098 0.518 1.00 24.04 C ANISOU 1201 CB GLU B 26 2445 2833 3854 -264 -56 -108 C ATOM 1202 CG GLU B 26 1.429 -38.870 1.835 1.00 25.63 C ANISOU 1202 CG GLU B 26 2112 3374 4249 5 -121 78 C ATOM 1203 CD GLU B 26 1.489 -40.385 1.801 1.00 26.97 C ANISOU 1203 CD GLU B 26 2174 3738 4336 -45 -81 92 C ATOM 1204 OE1 GLU B 26 1.299 -41.065 0.734 1.00 34.05 O ANISOU 1204 OE1 GLU B 26 3586 4434 4918 -191 52 -360 O ATOM 1205 OE2 GLU B 26 1.657 -40.891 2.944 1.00 32.95 O ANISOU 1205 OE2 GLU B 26 3296 4267 4955 300 -59 468 O ATOM 0 H GLU B 26 -0.336 -36.771 1.959 1.00 20.19 H new ATOM 0 HA GLU B 26 2.138 -36.389 1.195 1.00 21.63 H new ATOM 0 HB2 GLU B 26 0.385 -38.342 0.111 1.00 24.04 H new ATOM 0 HB3 GLU B 26 1.928 -38.332 -0.115 1.00 24.04 H new ATOM 0 HG2 GLU B 26 2.253 -38.554 2.238 1.00 25.63 H new ATOM 0 HG3 GLU B 26 0.707 -38.619 2.432 1.00 25.63 H new ATOM 1206 N ALA B 27 -0.066 -35.356 -0.864 1.00 18.30 N ANISOU 1206 N ALA B 27 1621 2196 3135 26 -135 -196 N ATOM 1207 CA ALA B 27 -0.233 -34.508 -2.037 1.00 17.66 C ANISOU 1207 CA ALA B 27 1296 2069 3342 -114 -276 -136 C ATOM 1208 C ALA B 27 0.273 -33.081 -1.723 1.00 17.12 C ANISOU 1208 C ALA B 27 1531 1959 3012 -78 -167 -276 C ATOM 1209 O ALA B 27 0.862 -32.459 -2.590 1.00 17.05 O ANISOU 1209 O ALA B 27 1186 2198 3093 -85 -326 -245 O ATOM 1210 CB ALA B 27 -1.697 -34.462 -2.506 1.00 18.79 C ANISOU 1210 CB ALA B 27 1385 2516 3237 -74 -236 -405 C ATOM 0 H ALA B 27 -0.800 -35.585 -0.479 1.00 18.30 H new ATOM 0 HA ALA B 27 0.291 -34.889 -2.759 1.00 17.66 H new ATOM 0 HB1 ALA B 27 -1.769 -33.890 -3.286 1.00 18.79 H new ATOM 0 HB2 ALA B 27 -1.992 -35.357 -2.734 1.00 18.79 H new ATOM 0 HB3 ALA B 27 -2.254 -34.110 -1.794 1.00 18.79 H new ATOM 1211 N ILE B 28 0.012 -32.591 -0.521 1.00 15.22 N ANISOU 1211 N ILE B 28 636 2152 2993 18 -377 -202 N ATOM 1212 CA ILE B 28 0.478 -31.234 -0.208 1.00 15.57 C ANISOU 1212 CA ILE B 28 1014 2143 2757 -19 -292 -200 C ATOM 1213 C ILE B 28 2.021 -31.243 -0.249 1.00 15.58 C ANISOU 1213 C ILE B 28 1468 1818 2633 13 -296 -80 C ATOM 1214 O ILE B 28 2.659 -30.341 -0.806 1.00 16.93 O ANISOU 1214 O ILE B 28 1911 1955 2565 -211 -170 -11 O ATOM 1215 CB ILE B 28 0.058 -30.880 1.206 1.00 16.19 C ANISOU 1215 CB ILE B 28 1059 2319 2772 -117 -209 -362 C ATOM 1216 CG1 ILE B 28 -1.438 -30.649 1.277 1.00 17.34 C ANISOU 1216 CG1 ILE B 28 678 2851 3057 204 -425 -178 C ATOM 1217 CG2 ILE B 28 0.773 -29.593 1.698 1.00 16.06 C ANISOU 1217 CG2 ILE B 28 861 2365 2874 -232 -362 -384 C ATOM 1218 CD1 ILE B 28 -2.026 -30.752 2.724 1.00 20.63 C ANISOU 1218 CD1 ILE B 28 1686 2991 3159 142 -18 -381 C ATOM 0 H ILE B 28 -0.412 -32.999 0.106 1.00 15.22 H new ATOM 0 HA ILE B 28 0.108 -30.598 -0.840 1.00 15.57 H new ATOM 0 HB ILE B 28 0.307 -31.626 1.773 1.00 16.19 H new ATOM 0 HG12 ILE B 28 -1.638 -29.771 0.917 1.00 17.34 H new ATOM 0 HG13 ILE B 28 -1.884 -31.297 0.709 1.00 17.34 H new ATOM 0 HG21 ILE B 28 0.487 -29.390 2.602 1.00 16.06 H new ATOM 0 HG22 ILE B 28 1.733 -29.731 1.686 1.00 16.06 H new ATOM 0 HG23 ILE B 28 0.546 -28.853 1.114 1.00 16.06 H new ATOM 0 HD11 ILE B 28 -2.983 -30.594 2.697 1.00 20.63 H new ATOM 0 HD12 ILE B 28 -1.855 -31.638 3.081 1.00 20.63 H new ATOM 0 HD13 ILE B 28 -1.605 -30.088 3.292 1.00 20.63 H new ATOM 1219 N VAL B 29 2.672 -32.233 0.396 1.00 14.71 N ANISOU 1219 N VAL B 29 618 2206 2766 0 -302 -30 N ATOM 1220 CA VAL B 29 4.055 -32.268 0.434 1.00 15.74 C ANISOU 1220 CA VAL B 29 906 2295 2776 210 -221 -157 C ATOM 1221 C VAL B 29 4.713 -32.354 -0.902 1.00 17.69 C ANISOU 1221 C VAL B 29 1742 2302 2674 114 -268 73 C ATOM 1222 O VAL B 29 5.733 -31.708 -1.170 1.00 18.19 O ANISOU 1222 O VAL B 29 1674 2247 2989 236 -161 -41 O ATOM 1223 CB VAL B 29 4.474 -33.460 1.406 1.00 18.76 C ANISOU 1223 CB VAL B 29 1264 3070 2794 323 -360 156 C ATOM 1224 CG1 VAL B 29 5.976 -33.736 1.353 1.00 22.63 C ANISOU 1224 CG1 VAL B 29 1747 3448 3402 547 -266 194 C ATOM 1225 CG2 VAL B 29 4.122 -33.108 2.816 1.00 22.04 C ANISOU 1225 CG2 VAL B 29 2131 3277 2967 120 -420 -17 C ATOM 0 H VAL B 29 2.284 -32.880 0.809 1.00 14.71 H new ATOM 0 HA VAL B 29 4.377 -31.419 0.775 1.00 15.74 H new ATOM 0 HB VAL B 29 3.996 -34.251 1.112 1.00 18.76 H new ATOM 0 HG11 VAL B 29 6.193 -34.465 1.955 1.00 22.63 H new ATOM 0 HG12 VAL B 29 6.229 -33.978 0.448 1.00 22.63 H new ATOM 0 HG13 VAL B 29 6.461 -32.940 1.622 1.00 22.63 H new ATOM 0 HG21 VAL B 29 4.378 -33.835 3.405 1.00 22.04 H new ATOM 0 HG22 VAL B 29 4.593 -32.301 3.076 1.00 22.04 H new ATOM 0 HG23 VAL B 29 3.166 -32.959 2.884 1.00 22.04 H new ATOM 1226 N GLN B 30 4.072 -33.060 -1.830 1.00 17.40 N ANISOU 1226 N GLN B 30 1735 2245 2628 140 -207 -213 N ATOM 1227 CA GLN B 30 4.551 -33.124 -3.186 1.00 17.89 C ANISOU 1227 CA GLN B 30 1932 2178 2687 -133 -219 -241 C ATOM 1228 C GLN B 30 4.534 -31.807 -3.917 1.00 17.78 C ANISOU 1228 C GLN B 30 2007 2298 2449 204 -221 -255 C ATOM 1229 O GLN B 30 5.251 -31.643 -4.907 1.00 19.40 O ANISOU 1229 O GLN B 30 2065 2499 2805 212 -115 -158 O ATOM 1230 CB GLN B 30 3.781 -34.229 -3.955 1.00 20.14 C ANISOU 1230 CB GLN B 30 2005 2608 3039 52 -179 -494 C ATOM 1231 CG GLN B 30 4.256 -34.498 -5.343 1.00 25.72 C ANISOU 1231 CG GLN B 30 2879 3662 3229 -160 -343 -276 C ATOM 1232 CD GLN B 30 5.736 -34.890 -5.417 1.00 29.60 C ANISOU 1232 CD GLN B 30 3601 3823 3819 263 50 -172 C ATOM 1233 OE1 GLN B 30 6.301 -35.529 -4.498 1.00 31.96 O ANISOU 1233 OE1 GLN B 30 4549 3778 3814 216 -91 -346 O ATOM 1234 NE2 GLN B 30 6.362 -34.530 -6.519 1.00 31.55 N ANISOU 1234 NE2 GLN B 30 3713 4287 3986 -96 -50 55 N ATOM 0 H GLN B 30 3.353 -33.509 -1.683 1.00 17.40 H new ATOM 0 HA GLN B 30 5.492 -33.355 -3.142 1.00 17.89 H new ATOM 0 HB2 GLN B 30 3.836 -35.053 -3.446 1.00 20.14 H new ATOM 0 HB3 GLN B 30 2.844 -33.981 -3.993 1.00 20.14 H new ATOM 0 HG2 GLN B 30 3.721 -35.209 -5.728 1.00 25.72 H new ATOM 0 HG3 GLN B 30 4.111 -33.707 -5.886 1.00 25.72 H new ATOM 0 HE21 GLN B 30 5.942 -34.092 -7.129 1.00 31.55 H new ATOM 0 HE22 GLN B 30 7.190 -34.733 -6.629 1.00 31.55 H new ATOM 1235 N MET B 31 3.695 -30.875 -3.497 1.00 17.00 N ANISOU 1235 N MET B 31 1678 2174 2606 158 -317 -251 N ATOM 1236 CA MET B 31 3.738 -29.549 -4.125 1.00 16.93 C ANISOU 1236 CA MET B 31 1319 2313 2797 148 -201 -107 C ATOM 1237 C MET B 31 4.993 -28.759 -3.790 1.00 16.30 C ANISOU 1237 C MET B 31 1553 2135 2506 205 -169 14 C ATOM 1238 O MET B 31 5.263 -27.767 -4.464 1.00 17.29 O ANISOU 1238 O MET B 31 1684 2388 2496 38 -108 -68 O ATOM 1239 CB MET B 31 2.507 -28.725 -3.658 1.00 17.00 C ANISOU 1239 CB MET B 31 1634 2182 2641 113 -333 -161 C ATOM 1240 CG MET B 31 1.225 -29.231 -4.203 1.00 19.43 C ANISOU 1240 CG MET B 31 1636 2891 2853 260 -321 -273 C ATOM 1241 SD MET B 31 -0.138 -28.064 -4.135 1.00 20.13 S ANISOU 1241 SD MET B 31 1606 2682 3361 244 -131 39 S ATOM 1242 CE MET B 31 0.351 -26.975 -5.438 1.00 22.65 C ANISOU 1242 CE MET B 31 2429 3040 3134 587 130 266 C ATOM 0 H MET B 31 3.111 -30.975 -2.874 1.00 17.00 H new ATOM 0 HA MET B 31 3.734 -29.697 -5.084 1.00 16.93 H new ATOM 0 HB2 MET B 31 2.467 -28.736 -2.689 1.00 17.00 H new ATOM 0 HB3 MET B 31 2.623 -27.800 -3.927 1.00 17.00 H new ATOM 0 HG2 MET B 31 1.363 -29.494 -5.126 1.00 19.43 H new ATOM 0 HG3 MET B 31 0.974 -30.030 -3.714 1.00 19.43 H new ATOM 0 HE1 MET B 31 0.812 -26.208 -5.063 1.00 22.65 H new ATOM 0 HE2 MET B 31 0.944 -27.443 -6.046 1.00 22.65 H new ATOM 0 HE3 MET B 31 -0.435 -26.675 -5.921 1.00 22.65 H new ATOM 1243 N TYR B 32 5.630 -29.154 -2.699 1.00 17.63 N ANISOU 1243 N TYR B 32 1751 2270 2677 87 -239 -137 N ATOM 1244 CA TYR B 32 6.819 -28.428 -2.312 1.00 18.01 C ANISOU 1244 CA TYR B 32 1814 2176 2850 215 -83 43 C ATOM 1245 C TYR B 32 8.095 -28.956 -2.966 1.00 18.19 C ANISOU 1245 C TYR B 32 1837 2160 2912 419 -221 85 C ATOM 1246 O TYR B 32 8.163 -30.152 -3.246 1.00 19.59 O ANISOU 1246 O TYR B 32 2253 2104 3084 459 -16 -82 O ATOM 1247 CB TYR B 32 6.978 -28.540 -0.773 1.00 16.93 C ANISOU 1247 CB TYR B 32 1581 2205 2645 362 -359 -73 C ATOM 1248 CG TYR B 32 6.110 -27.693 0.023 1.00 15.90 C ANISOU 1248 CG TYR B 32 1570 2052 2418 70 -180 -94 C ATOM 1249 CD1 TYR B 32 6.486 -26.383 0.347 1.00 16.70 C ANISOU 1249 CD1 TYR B 32 1700 2102 2540 97 -393 57 C ATOM 1250 CD2 TYR B 32 4.882 -28.155 0.440 1.00 16.72 C ANISOU 1250 CD2 TYR B 32 1142 2353 2857 -14 -437 103 C ATOM 1251 CE1 TYR B 32 5.615 -25.554 1.037 1.00 16.60 C ANISOU 1251 CE1 TYR B 32 1431 2247 2627 49 -163 -95 C ATOM 1252 CE2 TYR B 32 4.024 -27.303 1.138 1.00 16.97 C ANISOU 1252 CE2 TYR B 32 1435 2276 2734 193 -294 86 C ATOM 1253 CZ TYR B 32 4.443 -26.052 1.518 1.00 17.75 C ANISOU 1253 CZ TYR B 32 1810 2252 2679 271 -20 56 C ATOM 1254 OH TYR B 32 3.637 -25.175 2.264 1.00 19.34 O ANISOU 1254 OH TYR B 32 1660 2790 2896 174 -169 -8 O ATOM 0 H TYR B 32 5.402 -29.809 -2.191 1.00 17.63 H new ATOM 0 HA TYR B 32 6.704 -27.511 -2.607 1.00 18.01 H new ATOM 0 HB2 TYR B 32 6.823 -29.463 -0.517 1.00 16.93 H new ATOM 0 HB3 TYR B 32 7.898 -28.333 -0.546 1.00 16.93 H new ATOM 0 HD1 TYR B 32 7.325 -26.068 0.098 1.00 16.70 H new ATOM 0 HD2 TYR B 32 4.625 -29.030 0.258 1.00 16.72 H new ATOM 0 HE1 TYR B 32 5.831 -24.659 1.171 1.00 16.60 H new ATOM 0 HE2 TYR B 32 3.163 -27.585 1.347 1.00 16.97 H new ATOM 0 HH TYR B 32 3.102 -25.619 2.736 1.00 19.34 H new ATOM 1255 N ALA B 33 9.061 -28.070 -3.179 1.00 18.18 N ANISOU 1255 N ALA B 33 1801 2245 2859 401 28 -119 N ATOM 1256 CA ALA B 33 10.359 -28.570 -3.616 1.00 19.78 C ANISOU 1256 CA ALA B 33 2036 2448 3029 274 198 44 C ATOM 1257 C ALA B 33 10.924 -29.430 -2.503 1.00 19.44 C ANISOU 1257 C ALA B 33 1832 2577 2978 396 225 -58 C ATOM 1258 O ALA B 33 10.586 -29.279 -1.343 1.00 18.81 O ANISOU 1258 O ALA B 33 1574 2562 3008 417 -68 -41 O ATOM 1259 CB ALA B 33 11.241 -27.393 -3.854 1.00 20.81 C ANISOU 1259 CB ALA B 33 1742 2706 3458 221 30 176 C ATOM 0 H ALA B 33 8.994 -27.218 -3.083 1.00 18.18 H new ATOM 0 HA ALA B 33 10.290 -29.096 -4.428 1.00 19.78 H new ATOM 0 HB1 ALA B 33 12.114 -27.697 -4.147 1.00 20.81 H new ATOM 0 HB2 ALA B 33 10.849 -26.828 -4.538 1.00 20.81 H new ATOM 0 HB3 ALA B 33 11.334 -26.887 -3.032 1.00 20.81 H new ATOM 1260 N ASP B 34 11.880 -30.310 -2.851 1.00 19.36 N ANISOU 1260 N ASP B 34 1753 2723 2881 581 0 -11 N ATOM 1261 CA ASP B 34 12.361 -31.284 -1.867 1.00 20.55 C ANISOU 1261 CA ASP B 34 2068 2611 3127 579 158 42 C ATOM 1262 C ASP B 34 13.016 -30.640 -0.657 1.00 20.90 C ANISOU 1262 C ASP B 34 1801 2843 3295 514 245 145 C ATOM 1263 O ASP B 34 12.957 -31.180 0.449 1.00 20.22 O ANISOU 1263 O ASP B 34 1176 3092 3413 516 247 220 O ATOM 1264 CB ASP B 34 13.282 -32.340 -2.520 1.00 23.15 C ANISOU 1264 CB ASP B 34 2252 3090 3450 480 326 59 C ATOM 1265 CG ASP B 34 14.511 -31.746 -3.077 1.00 24.10 C ANISOU 1265 CG ASP B 34 2312 3286 3557 607 246 10 C ATOM 1266 OD1 ASP B 34 14.504 -31.340 -4.239 1.00 30.31 O ANISOU 1266 OD1 ASP B 34 3352 4133 4031 454 252 140 O ATOM 1267 OD2 ASP B 34 15.484 -31.692 -2.304 1.00 27.61 O ANISOU 1267 OD2 ASP B 34 2174 4038 4280 865 103 -233 O ATOM 0 H ASP B 34 12.249 -30.356 -3.626 1.00 19.36 H new ATOM 0 HA ASP B 34 11.574 -31.741 -1.532 1.00 20.55 H new ATOM 0 HB2 ASP B 34 13.520 -33.010 -1.860 1.00 23.15 H new ATOM 0 HB3 ASP B 34 12.797 -32.796 -3.226 1.00 23.15 H new ATOM 1268 N ASP B 35 13.641 -29.451 -0.873 1.00 19.86 N ANISOU 1268 N ASP B 35 1351 2781 3411 531 162 41 N ATOM 1269 CA ASP B 35 14.335 -28.714 0.148 1.00 20.44 C ANISOU 1269 CA ASP B 35 1185 2947 3632 564 101 -227 C ATOM 1270 C ASP B 35 13.639 -27.339 0.429 1.00 19.77 C ANISOU 1270 C ASP B 35 1328 2809 3375 469 -8 -118 C ATOM 1271 O ASP B 35 14.223 -26.344 0.759 1.00 22.61 O ANISOU 1271 O ASP B 35 1717 3032 3841 434 -454 -123 O ATOM 1272 CB ASP B 35 15.752 -28.466 -0.391 1.00 22.99 C ANISOU 1272 CB ASP B 35 1846 3073 3814 317 268 16 C ATOM 1273 CG ASP B 35 15.791 -27.631 -1.679 1.00 27.33 C ANISOU 1273 CG ASP B 35 2380 3873 4131 201 284 79 C ATOM 1274 OD1 ASP B 35 14.752 -27.463 -2.375 1.00 27.31 O ANISOU 1274 OD1 ASP B 35 2453 3794 4126 294 91 246 O ATOM 1275 OD2 ASP B 35 16.907 -27.084 -2.014 1.00 30.38 O ANISOU 1275 OD2 ASP B 35 2168 4566 4808 -89 226 125 O ATOM 0 H ASP B 35 13.658 -29.066 -1.642 1.00 19.86 H new ATOM 0 HA ASP B 35 14.339 -29.211 0.981 1.00 20.44 H new ATOM 0 HB2 ASP B 35 16.274 -28.016 0.292 1.00 22.99 H new ATOM 0 HB3 ASP B 35 16.179 -29.321 -0.557 1.00 22.99 H new ATOM 1276 N ALA B 36 12.331 -27.276 0.239 1.00 19.17 N ANISOU 1276 N ALA B 36 1209 2749 3324 636 -323 84 N ATOM 1277 CA ALA B 36 11.539 -26.049 0.423 1.00 18.76 C ANISOU 1277 CA ALA B 36 1579 2510 3035 548 -260 -5 C ATOM 1278 C ALA B 36 11.638 -25.594 1.906 1.00 18.47 C ANISOU 1278 C ALA B 36 1412 2525 3078 331 -246 8 C ATOM 1279 O ALA B 36 11.940 -26.333 2.833 1.00 18.67 O ANISOU 1279 O ALA B 36 1579 2623 2889 327 -528 -68 O ATOM 1280 CB ALA B 36 10.041 -26.292 0.069 1.00 17.77 C ANISOU 1280 CB ALA B 36 961 2652 3137 659 -374 46 C ATOM 0 H ALA B 36 11.861 -27.953 -0.005 1.00 19.17 H new ATOM 0 HA ALA B 36 11.892 -25.365 -0.168 1.00 18.76 H new ATOM 0 HB1 ALA B 36 9.541 -25.471 0.198 1.00 17.77 H new ATOM 0 HB2 ALA B 36 9.968 -26.573 -0.857 1.00 17.77 H new ATOM 0 HB3 ALA B 36 9.680 -26.984 0.645 1.00 17.77 H new ATOM 1281 N THR B 37 11.381 -24.323 2.096 1.00 18.52 N ANISOU 1281 N THR B 37 1411 2494 3129 308 -269 -182 N ATOM 1282 CA THR B 37 11.246 -23.848 3.431 1.00 20.07 C ANISOU 1282 CA THR B 37 1724 2727 3174 600 -475 -135 C ATOM 1283 C THR B 37 9.842 -23.295 3.654 1.00 20.34 C ANISOU 1283 C THR B 37 1995 2787 2945 796 -523 -186 C ATOM 1284 O THR B 37 9.274 -22.660 2.735 1.00 22.82 O ANISOU 1284 O THR B 37 2577 3072 3020 1100 -689 -103 O ATOM 1285 CB THR B 37 12.214 -22.716 3.686 1.00 23.49 C ANISOU 1285 CB THR B 37 2047 3335 3543 341 -531 -91 C ATOM 1286 OG1 THR B 37 11.931 -21.617 2.826 1.00 29.26 O ANISOU 1286 OG1 THR B 37 3149 3567 4399 55 -437 -117 O ATOM 1287 CG2 THR B 37 13.719 -23.141 3.553 1.00 23.94 C ANISOU 1287 CG2 THR B 37 1371 3524 4201 -74 -912 72 C ATOM 0 H THR B 37 11.284 -23.735 1.476 1.00 18.52 H new ATOM 0 HA THR B 37 11.423 -24.592 4.027 1.00 20.07 H new ATOM 0 HB THR B 37 12.085 -22.449 4.610 1.00 23.49 H new ATOM 0 HG1 THR B 37 12.056 -21.846 2.028 1.00 29.26 H new ATOM 0 HG21 THR B 37 14.288 -22.375 3.727 1.00 23.94 H new ATOM 0 HG22 THR B 37 13.915 -23.842 4.194 1.00 23.94 H new ATOM 0 HG23 THR B 37 13.885 -23.469 2.655 1.00 23.94 H new ATOM 1288 N VAL B 38 9.383 -23.442 4.889 1.00 21.19 N ANISOU 1288 N VAL B 38 2428 2800 2820 588 -612 -290 N ATOM 1289 CA VAL B 38 8.078 -22.919 5.350 1.00 21.53 C ANISOU 1289 CA VAL B 38 2390 2836 2952 641 -702 -291 C ATOM 1290 C VAL B 38 8.293 -22.087 6.578 1.00 21.42 C ANISOU 1290 C VAL B 38 2480 2880 2775 784 -908 -276 C ATOM 1291 O VAL B 38 8.936 -22.490 7.522 1.00 21.55 O ANISOU 1291 O VAL B 38 2321 2980 2886 619 -1297 -335 O ATOM 1292 CB VAL B 38 7.110 -24.052 5.712 1.00 20.97 C ANISOU 1292 CB VAL B 38 2202 2809 2956 490 -578 -337 C ATOM 1293 CG1 VAL B 38 5.791 -23.615 6.454 1.00 24.08 C ANISOU 1293 CG1 VAL B 38 2482 3293 3372 655 -190 -433 C ATOM 1294 CG2 VAL B 38 6.738 -24.848 4.446 1.00 23.80 C ANISOU 1294 CG2 VAL B 38 3021 3051 2969 590 -796 -683 C ATOM 0 H VAL B 38 9.821 -23.855 5.503 1.00 21.19 H new ATOM 0 HA VAL B 38 7.695 -22.397 4.628 1.00 21.53 H new ATOM 0 HB VAL B 38 7.597 -24.596 6.350 1.00 20.97 H new ATOM 0 HG11 VAL B 38 5.249 -24.398 6.638 1.00 24.08 H new ATOM 0 HG12 VAL B 38 6.019 -23.176 7.289 1.00 24.08 H new ATOM 0 HG13 VAL B 38 5.292 -23.001 5.893 1.00 24.08 H new ATOM 0 HG21 VAL B 38 6.126 -25.563 4.681 1.00 23.80 H new ATOM 0 HG22 VAL B 38 6.313 -24.257 3.805 1.00 23.80 H new ATOM 0 HG23 VAL B 38 7.541 -25.226 4.054 1.00 23.80 H new ATOM 1295 N GLU B 39 7.725 -20.890 6.580 1.00 24.11 N ANISOU 1295 N GLU B 39 3264 3024 2870 649 -877 -454 N ATOM 1296 CA GLU B 39 7.677 -20.078 7.768 1.00 25.46 C ANISOU 1296 CA GLU B 39 3166 3354 3151 438 -699 -317 C ATOM 1297 C GLU B 39 6.217 -19.899 8.154 1.00 25.27 C ANISOU 1297 C GLU B 39 3307 3177 3114 521 -441 -314 C ATOM 1298 O GLU B 39 5.557 -19.167 7.447 1.00 25.51 O ANISOU 1298 O GLU B 39 3100 3577 3012 606 -842 -117 O ATOM 1299 CB GLU B 39 8.282 -18.798 7.319 1.00 24.15 C ANISOU 1299 CB GLU B 39 2361 3612 3202 437 -953 -286 C ATOM 1300 CG GLU B 39 9.764 -18.924 7.484 1.00 29.77 C ANISOU 1300 CG GLU B 39 2864 4178 4266 352 -519 -132 C ATOM 1301 CD GLU B 39 10.512 -17.845 6.802 1.00 38.46 C ANISOU 1301 CD GLU B 39 4504 5244 4864 -80 -117 103 C ATOM 1302 OE1 GLU B 39 10.398 -17.764 5.563 1.00 36.66 O ANISOU 1302 OE1 GLU B 39 3420 5618 4890 501 -465 -222 O ATOM 1303 OE2 GLU B 39 11.206 -17.074 7.522 1.00 41.89 O ANISOU 1303 OE2 GLU B 39 4759 5673 5480 -296 -381 -179 O ATOM 0 H GLU B 39 7.358 -20.531 5.890 1.00 24.11 H new ATOM 0 HA GLU B 39 8.136 -20.445 8.540 1.00 25.46 H new ATOM 0 HB2 GLU B 39 8.055 -18.619 6.393 1.00 24.15 H new ATOM 0 HB3 GLU B 39 7.941 -18.056 7.843 1.00 24.15 H new ATOM 0 HG2 GLU B 39 9.982 -18.915 8.429 1.00 29.77 H new ATOM 0 HG3 GLU B 39 10.052 -19.782 7.135 1.00 29.77 H new ATOM 1304 N ASN B 40 5.695 -20.571 9.219 1.00 28.30 N ANISOU 1304 N ASN B 40 3616 3554 3582 272 -426 -263 N ATOM 1305 CA ASN B 40 4.234 -20.642 9.536 1.00 28.42 C ANISOU 1305 CA ASN B 40 3805 3559 3433 90 -187 -197 C ATOM 1306 C ASN B 40 3.968 -20.770 11.046 1.00 29.36 C ANISOU 1306 C ASN B 40 3979 3662 3511 102 -203 -42 C ATOM 1307 O ASN B 40 4.097 -21.889 11.572 1.00 30.97 O ANISOU 1307 O ASN B 40 4257 3852 3658 -55 -113 53 O ATOM 1308 CB ASN B 40 3.561 -21.821 8.768 1.00 28.46 C ANISOU 1308 CB ASN B 40 3472 3456 3885 161 -234 -201 C ATOM 1309 CG ASN B 40 2.014 -21.848 8.940 1.00 30.46 C ANISOU 1309 CG ASN B 40 3757 3761 4052 0 -181 -249 C ATOM 1310 OD1 ASN B 40 1.486 -21.196 9.823 1.00 28.69 O ANISOU 1310 OD1 ASN B 40 3431 2956 4511 348 99 -179 O ATOM 1311 ND2 ASN B 40 1.300 -22.615 8.068 1.00 30.03 N ANISOU 1311 ND2 ASN B 40 3647 3305 4457 -65 -208 -528 N ATOM 0 H ASN B 40 6.184 -21.001 9.781 1.00 28.30 H new ATOM 0 HA ASN B 40 3.841 -19.805 9.243 1.00 28.42 H new ATOM 0 HB2 ASN B 40 3.776 -21.752 7.825 1.00 28.46 H new ATOM 0 HB3 ASN B 40 3.932 -22.660 9.083 1.00 28.46 H new ATOM 0 HD21 ASN B 40 0.443 -22.651 8.129 1.00 30.03 H new ATOM 0 HD22 ASN B 40 1.707 -23.062 7.456 1.00 30.03 H new ATOM 1312 N PRO B 41 3.620 -19.649 11.747 1.00 29.31 N ANISOU 1312 N PRO B 41 3961 3754 3418 79 -201 -83 N ATOM 1313 CA PRO B 41 3.416 -18.236 11.205 1.00 27.72 C ANISOU 1313 CA PRO B 41 3618 3683 3230 104 -251 -141 C ATOM 1314 C PRO B 41 4.703 -17.516 10.870 1.00 28.61 C ANISOU 1314 C PRO B 41 3779 3735 3355 69 -345 -96 C ATOM 1315 O PRO B 41 5.752 -17.871 11.387 1.00 30.36 O ANISOU 1315 O PRO B 41 3870 3916 3746 54 -459 -275 O ATOM 1316 CB PRO B 41 2.686 -17.502 12.335 1.00 29.68 C ANISOU 1316 CB PRO B 41 3708 4119 3448 -36 -276 -322 C ATOM 1317 CG PRO B 41 3.121 -18.276 13.598 1.00 31.31 C ANISOU 1317 CG PRO B 41 4090 3993 3813 86 -211 -151 C ATOM 1318 CD PRO B 41 3.446 -19.714 13.212 1.00 30.77 C ANISOU 1318 CD PRO B 41 4065 3957 3667 78 -153 -115 C ATOM 0 HA PRO B 41 2.927 -18.265 10.368 1.00 27.72 H new ATOM 0 HB2 PRO B 41 2.944 -16.568 12.381 1.00 29.68 H new ATOM 0 HB3 PRO B 41 1.724 -17.525 12.214 1.00 29.68 H new ATOM 0 HG2 PRO B 41 3.896 -17.853 13.999 1.00 31.31 H new ATOM 0 HG3 PRO B 41 2.414 -18.259 14.261 1.00 31.31 H new ATOM 0 HD2 PRO B 41 4.250 -20.029 13.653 1.00 30.77 H new ATOM 0 HD3 PRO B 41 2.731 -20.320 13.460 1.00 30.77 H new ATOM 1319 N PHE B 42 4.656 -16.592 9.926 1.00 28.87 N ANISOU 1319 N PHE B 42 3532 3936 3500 7 -268 -31 N ATOM 1320 CA PHE B 42 5.816 -15.804 9.605 1.00 29.98 C ANISOU 1320 CA PHE B 42 3790 4005 3594 2 -261 102 C ATOM 1321 C PHE B 42 6.218 -15.174 10.921 1.00 31.15 C ANISOU 1321 C PHE B 42 3898 4194 3742 0 -260 67 C ATOM 1322 O PHE B 42 5.362 -14.702 11.661 1.00 31.28 O ANISOU 1322 O PHE B 42 3801 4416 3665 111 -316 60 O ATOM 1323 CB PHE B 42 5.464 -14.741 8.587 1.00 30.67 C ANISOU 1323 CB PHE B 42 3675 4122 3855 -31 -291 267 C ATOM 1324 CG PHE B 42 6.648 -13.976 8.128 1.00 33.34 C ANISOU 1324 CG PHE B 42 4203 4272 4192 -110 2 60 C ATOM 1325 CD1 PHE B 42 7.609 -14.580 7.300 1.00 34.57 C ANISOU 1325 CD1 PHE B 42 4247 4426 4460 -121 145 -12 C ATOM 1326 CD2 PHE B 42 6.823 -12.663 8.535 1.00 34.36 C ANISOU 1326 CD2 PHE B 42 4424 4296 4334 -148 40 -48 C ATOM 1327 CE1 PHE B 42 8.731 -13.851 6.860 1.00 34.46 C ANISOU 1327 CE1 PHE B 42 3902 4572 4616 -390 -138 -240 C ATOM 1328 CE2 PHE B 42 7.933 -11.926 8.107 1.00 35.94 C ANISOU 1328 CE2 PHE B 42 4540 4398 4716 -256 218 -5 C ATOM 1329 CZ PHE B 42 8.881 -12.517 7.257 1.00 38.16 C ANISOU 1329 CZ PHE B 42 4725 4636 5137 -56 112 -111 C ATOM 0 H PHE B 42 3.956 -16.409 9.461 1.00 28.87 H new ATOM 0 HA PHE B 42 6.531 -16.332 9.217 1.00 29.98 H new ATOM 0 HB2 PHE B 42 5.037 -15.159 7.823 1.00 30.67 H new ATOM 0 HB3 PHE B 42 4.818 -14.129 8.973 1.00 30.67 H new ATOM 0 HD1 PHE B 42 7.504 -15.467 7.041 1.00 34.57 H new ATOM 0 HD2 PHE B 42 6.197 -12.268 9.098 1.00 34.36 H new ATOM 0 HE1 PHE B 42 9.366 -14.252 6.311 1.00 34.46 H new ATOM 0 HE2 PHE B 42 8.042 -11.045 8.385 1.00 35.94 H new ATOM 0 HZ PHE B 42 9.609 -12.022 6.957 1.00 38.16 H new ATOM 1330 N GLY B 43 7.511 -15.235 11.225 1.00 32.94 N ANISOU 1330 N GLY B 43 4122 4292 4100 27 -217 150 N ATOM 1331 CA GLY B 43 8.011 -14.772 12.493 1.00 34.68 C ANISOU 1331 CA GLY B 43 4455 4496 4223 -21 -312 124 C ATOM 1332 C GLY B 43 8.650 -15.921 13.266 1.00 36.82 C ANISOU 1332 C GLY B 43 4746 4681 4562 -6 -295 96 C ATOM 1333 O GLY B 43 9.341 -15.696 14.255 1.00 38.06 O ANISOU 1333 O GLY B 43 4810 4894 4756 -20 -447 54 O ATOM 0 H GLY B 43 8.114 -15.547 10.697 1.00 32.94 H new ATOM 0 HA2 GLY B 43 8.663 -14.068 12.352 1.00 34.68 H new ATOM 0 HA3 GLY B 43 7.287 -14.389 13.012 1.00 34.68 H new ATOM 1334 N GLN B 44 8.359 -17.153 12.843 1.00 37.40 N ANISOU 1334 N GLN B 44 4785 4770 4654 52 -252 22 N ATOM 1335 CA GLN B 44 8.818 -18.341 13.526 1.00 38.31 C ANISOU 1335 CA GLN B 44 4908 4811 4836 -3 -72 -23 C ATOM 1336 C GLN B 44 9.965 -18.915 12.713 1.00 36.92 C ANISOU 1336 C GLN B 44 4713 4615 4698 35 -147 -71 C ATOM 1337 O GLN B 44 10.054 -18.622 11.526 1.00 37.49 O ANISOU 1337 O GLN B 44 4792 4614 4836 109 -113 4 O ATOM 1338 CB GLN B 44 7.663 -19.328 13.639 1.00 39.35 C ANISOU 1338 CB GLN B 44 4901 5054 4994 -97 -59 -144 C ATOM 1339 CG GLN B 44 6.810 -19.269 14.933 1.00 42.26 C ANISOU 1339 CG GLN B 44 5261 5643 5153 2 -23 2 C ATOM 1340 CD GLN B 44 6.881 -17.943 15.655 1.00 44.24 C ANISOU 1340 CD GLN B 44 5615 5740 5451 27 -17 -89 C ATOM 1341 OE1 GLN B 44 6.001 -17.090 15.516 1.00 47.10 O ANISOU 1341 OE1 GLN B 44 6022 6460 5414 81 -295 142 O ATOM 1342 NE2 GLN B 44 7.926 -17.761 16.455 1.00 46.66 N ANISOU 1342 NE2 GLN B 44 5520 6300 5906 177 72 56 N ATOM 0 H GLN B 44 7.885 -17.314 12.144 1.00 37.40 H new ATOM 0 HA GLN B 44 9.126 -18.145 14.425 1.00 38.31 H new ATOM 0 HB2 GLN B 44 7.072 -19.189 12.882 1.00 39.35 H new ATOM 0 HB3 GLN B 44 8.024 -20.225 13.556 1.00 39.35 H new ATOM 0 HG2 GLN B 44 5.885 -19.456 14.709 1.00 42.26 H new ATOM 0 HG3 GLN B 44 7.103 -19.971 15.535 1.00 42.26 H new ATOM 0 HE21 GLN B 44 8.523 -18.376 16.530 1.00 46.66 H new ATOM 0 HE22 GLN B 44 8.006 -17.028 16.898 1.00 46.66 H new ATOM 1343 N PRO B 45 10.865 -19.708 13.346 1.00 35.72 N ANISOU 1343 N PRO B 45 4442 4530 4600 105 -156 -79 N ATOM 1344 CA PRO B 45 12.037 -20.275 12.650 1.00 35.95 C ANISOU 1344 CA PRO B 45 4476 4592 4592 33 -177 -84 C ATOM 1345 C PRO B 45 11.593 -21.171 11.497 1.00 34.66 C ANISOU 1345 C PRO B 45 4361 4309 4498 -10 -158 -115 C ATOM 1346 O PRO B 45 10.573 -21.842 11.635 1.00 36.45 O ANISOU 1346 O PRO B 45 4659 4516 4672 -26 -104 -70 O ATOM 1347 CB PRO B 45 12.717 -21.128 13.730 1.00 35.89 C ANISOU 1347 CB PRO B 45 4452 4569 4612 153 -194 -75 C ATOM 1348 CG PRO B 45 12.169 -20.688 15.031 1.00 35.66 C ANISOU 1348 CG PRO B 45 4226 4657 4667 190 -177 -35 C ATOM 1349 CD PRO B 45 10.807 -20.104 14.772 1.00 36.13 C ANISOU 1349 CD PRO B 45 4403 4618 4705 228 -243 -4 C ATOM 0 HA PRO B 45 12.614 -19.593 12.273 1.00 35.95 H new ATOM 0 HB2 PRO B 45 12.542 -22.071 13.584 1.00 35.89 H new ATOM 0 HB3 PRO B 45 13.680 -21.011 13.705 1.00 35.89 H new ATOM 0 HG2 PRO B 45 12.109 -21.435 15.646 1.00 35.66 H new ATOM 0 HG3 PRO B 45 12.751 -20.029 15.441 1.00 35.66 H new ATOM 0 HD2 PRO B 45 10.104 -20.752 14.934 1.00 36.13 H new ATOM 0 HD3 PRO B 45 10.630 -19.343 15.347 1.00 36.13 H new ATOM 1350 N PRO B 46 12.276 -21.111 10.341 1.00 33.94 N ANISOU 1350 N PRO B 46 4128 4207 4560 87 -306 -129 N ATOM 1351 CA PRO B 46 11.627 -21.921 9.298 1.00 31.12 C ANISOU 1351 CA PRO B 46 3726 3785 4312 183 -443 -147 C ATOM 1352 C PRO B 46 11.823 -23.388 9.459 1.00 29.91 C ANISOU 1352 C PRO B 46 3585 3674 4103 161 -612 74 C ATOM 1353 O PRO B 46 12.761 -23.860 10.133 1.00 30.65 O ANISOU 1353 O PRO B 46 3239 3879 4526 520 -843 203 O ATOM 1354 CB PRO B 46 12.256 -21.459 8.017 1.00 31.70 C ANISOU 1354 CB PRO B 46 3785 3767 4491 208 -378 -181 C ATOM 1355 CG PRO B 46 13.658 -21.007 8.445 1.00 35.70 C ANISOU 1355 CG PRO B 46 4185 4627 4751 -11 -326 -131 C ATOM 1356 CD PRO B 46 13.449 -20.384 9.817 1.00 34.58 C ANISOU 1356 CD PRO B 46 4235 4354 4548 -29 -266 -174 C ATOM 0 HA PRO B 46 10.665 -21.798 9.334 1.00 31.12 H new ATOM 0 HB2 PRO B 46 12.296 -22.173 7.362 1.00 31.70 H new ATOM 0 HB3 PRO B 46 11.754 -20.733 7.615 1.00 31.70 H new ATOM 0 HG2 PRO B 46 14.274 -21.755 8.486 1.00 35.70 H new ATOM 0 HG3 PRO B 46 14.030 -20.367 7.818 1.00 35.70 H new ATOM 0 HD2 PRO B 46 14.226 -20.500 10.386 1.00 34.58 H new ATOM 0 HD3 PRO B 46 13.282 -19.430 9.756 1.00 34.58 H new ATOM 1357 N ILE B 47 10.954 -24.126 8.822 1.00 25.29 N ANISOU 1357 N ILE B 47 3092 3060 3457 221 -718 -70 N ATOM 1358 CA ILE B 47 11.153 -25.524 8.685 1.00 25.50 C ANISOU 1358 CA ILE B 47 3025 3195 3467 393 -548 4 C ATOM 1359 C ILE B 47 11.667 -25.836 7.286 1.00 24.06 C ANISOU 1359 C ILE B 47 2692 3110 3339 266 -593 -78 C ATOM 1360 O ILE B 47 11.419 -25.119 6.348 1.00 24.89 O ANISOU 1360 O ILE B 47 2467 3311 3676 669 -768 -63 O ATOM 1361 CB ILE B 47 9.985 -26.309 9.108 1.00 27.29 C ANISOU 1361 CB ILE B 47 3514 3309 3543 166 -372 -167 C ATOM 1362 CG1 ILE B 47 8.915 -26.140 8.123 1.00 25.54 C ANISOU 1362 CG1 ILE B 47 2600 3470 3631 462 -201 247 C ATOM 1363 CG2 ILE B 47 9.464 -25.894 10.481 1.00 29.64 C ANISOU 1363 CG2 ILE B 47 3673 3956 3630 102 -24 -86 C ATOM 1364 CD1 ILE B 47 7.647 -27.001 8.423 1.00 29.83 C ANISOU 1364 CD1 ILE B 47 3438 3860 4033 -368 -415 5 C ATOM 0 H ILE B 47 10.234 -23.826 8.459 1.00 25.29 H new ATOM 0 HA ILE B 47 11.844 -25.809 9.303 1.00 25.50 H new ATOM 0 HB ILE B 47 10.264 -27.236 9.169 1.00 27.29 H new ATOM 0 HG12 ILE B 47 8.661 -25.204 8.090 1.00 25.54 H new ATOM 0 HG13 ILE B 47 9.254 -26.373 7.245 1.00 25.54 H new ATOM 0 HG21 ILE B 47 8.696 -26.439 10.714 1.00 29.64 H new ATOM 0 HG22 ILE B 47 10.162 -26.019 11.143 1.00 29.64 H new ATOM 0 HG23 ILE B 47 9.203 -24.960 10.459 1.00 29.64 H new ATOM 0 HD11 ILE B 47 6.979 -26.844 7.737 1.00 29.83 H new ATOM 0 HD12 ILE B 47 7.888 -27.941 8.430 1.00 29.83 H new ATOM 0 HD13 ILE B 47 7.285 -26.754 9.288 1.00 29.83 H new ATOM 1365 N HIS B 48 12.483 -26.883 7.152 1.00 21.80 N ANISOU 1365 N HIS B 48 1968 3085 3230 291 -875 -167 N ATOM 1366 CA AHIS B 48 13.181 -27.108 5.915 0.40 22.25 C ANISOU 1366 CA AHIS B 48 2074 3077 3301 287 -643 -106 C ATOM 1367 CA BHIS B 48 13.248 -27.135 5.920 0.60 22.18 C ANISOU 1367 CA BHIS B 48 2024 3084 3319 271 -676 -110 C ATOM 1368 C HIS B 48 13.042 -28.566 5.465 1.00 22.09 C ANISOU 1368 C HIS B 48 2199 2909 3285 335 -590 -71 C ATOM 1369 O HIS B 48 13.301 -29.521 6.232 1.00 21.22 O ANISOU 1369 O HIS B 48 1606 3083 3372 482 -794 -20 O ATOM 1370 CB AHIS B 48 14.687 -26.797 6.112 0.40 24.97 C ANISOU 1370 CB AHIS B 48 2528 3339 3620 132 -458 -135 C ATOM 1371 CB BHIS B 48 14.789 -27.043 6.206 0.60 24.02 C ANISOU 1371 CB BHIS B 48 2227 3307 3589 262 -579 -154 C ATOM 1372 CG AHIS B 48 15.460 -26.828 4.841 0.40 28.92 C ANISOU 1372 CG AHIS B 48 3180 3833 3973 132 -174 -42 C ATOM 1373 CG BHIS B 48 15.224 -25.686 6.629 0.60 25.92 C ANISOU 1373 CG BHIS B 48 2229 3531 4085 157 -264 -37 C ATOM 1374 ND1AHIS B 48 15.656 -25.708 4.069 0.40 31.88 N ANISOU 1374 ND1AHIS B 48 3633 4082 4396 37 -12 140 N ATOM 1375 ND1BHIS B 48 15.715 -24.757 5.741 0.60 31.55 N ANISOU 1375 ND1BHIS B 48 3198 4162 4627 186 -215 154 N ATOM 1376 CD2AHIS B 48 16.037 -27.855 4.171 0.40 32.75 C ANISOU 1376 CD2AHIS B 48 3817 4276 4347 71 -50 -123 C ATOM 1377 CD2BHIS B 48 15.191 -25.086 7.837 0.60 26.38 C ANISOU 1377 CD2BHIS B 48 2075 3912 4035 158 -407 13 C ATOM 1378 CE1AHIS B 48 16.332 -26.037 2.982 0.40 32.25 C ANISOU 1378 CE1AHIS B 48 3702 4281 4270 205 -81 -31 C ATOM 1379 CE1BHIS B 48 15.981 -23.639 6.394 0.60 31.32 C ANISOU 1379 CE1BHIS B 48 3348 4099 4453 -14 -202 -92 C ATOM 1380 NE2AHIS B 48 16.560 -27.337 3.012 0.40 33.39 N ANISOU 1380 NE2AHIS B 48 3842 4371 4473 -204 -24 -15 N ATOM 1381 NE2BHIS B 48 15.671 -23.812 7.665 0.60 31.08 N ANISOU 1381 NE2BHIS B 48 3051 4014 4741 -100 -248 14 N ATOM 0 H AHIS B 48 12.637 -27.464 7.767 0.40 21.80 H new ATOM 0 H BHIS B 48 12.611 -27.468 7.769 0.60 21.80 H new ATOM 0 HA AHIS B 48 12.796 -26.529 5.239 0.40 22.18 H new ATOM 0 HA BHIS B 48 12.951 -26.484 5.265 0.60 22.18 H new ATOM 0 HB2AHIS B 48 14.780 -25.922 6.520 0.40 24.02 H new ATOM 0 HB2BHIS B 48 15.023 -27.682 6.898 0.60 24.02 H new ATOM 0 HB3AHIS B 48 15.066 -27.440 6.731 0.40 24.02 H new ATOM 0 HB3BHIS B 48 15.276 -27.299 5.407 0.60 24.02 H new ATOM 0 HD1BHIS B 48 15.830 -24.883 4.898 0.60 31.55 H new ATOM 0 HD2AHIS B 48 16.072 -28.743 4.445 0.40 26.38 H new ATOM 0 HD2BHIS B 48 14.898 -25.464 8.635 0.60 26.38 H new ATOM 0 HE1AHIS B 48 16.601 -25.452 2.311 0.40 31.32 H new ATOM 0 HE1BHIS B 48 16.328 -22.861 6.021 0.60 31.32 H new ATOM 0 HE2AHIS B 48 16.970 -27.787 2.404 0.40 31.08 H new ATOM 1382 N GLY B 49 12.626 -28.715 4.226 1.00 19.59 N ANISOU 1382 N GLY B 49 1728 2655 3060 268 -468 -178 N ATOM 1383 CA GLY B 49 12.583 -30.033 3.597 1.00 18.84 C ANISOU 1383 CA GLY B 49 1383 2599 3175 217 -603 54 C ATOM 1384 C GLY B 49 11.264 -30.709 3.697 1.00 16.98 C ANISOU 1384 C GLY B 49 980 2586 2884 374 -457 -36 C ATOM 1385 O GLY B 49 10.574 -30.537 4.682 1.00 18.44 O ANISOU 1385 O GLY B 49 1622 2489 2893 333 -345 -77 O ATOM 0 H GLY B 49 12.362 -28.069 3.724 1.00 19.59 H new ATOM 0 HA2 GLY B 49 12.819 -29.942 2.661 1.00 18.84 H new ATOM 0 HA3 GLY B 49 13.257 -30.598 4.006 1.00 18.84 H new ATOM 1386 N ARG B 50 11.091 -31.639 2.785 1.00 17.14 N ANISOU 1386 N ARG B 50 1002 2581 2927 297 -253 -120 N ATOM 1387 CA ARG B 50 9.822 -32.324 2.791 1.00 15.89 C ANISOU 1387 CA ARG B 50 917 2565 2555 193 -231 -74 C ATOM 1388 C ARG B 50 9.493 -33.146 3.992 1.00 16.61 C ANISOU 1388 C ARG B 50 1371 2373 2567 375 -269 -98 C ATOM 1389 O ARG B 50 8.271 -33.221 4.362 1.00 19.73 O ANISOU 1389 O ARG B 50 1986 2637 2872 414 -57 -216 O ATOM 1390 CB ARG B 50 9.619 -33.143 1.523 1.00 17.54 C ANISOU 1390 CB ARG B 50 1408 2516 2737 109 -124 -137 C ATOM 1391 CG ARG B 50 9.302 -32.314 0.296 1.00 20.11 C ANISOU 1391 CG ARG B 50 2566 2513 2559 63 -152 -94 C ATOM 1392 CD ARG B 50 9.199 -33.304 -0.857 1.00 21.24 C ANISOU 1392 CD ARG B 50 2471 2943 2654 -6 -181 -266 C ATOM 1393 NE ARG B 50 8.853 -32.649 -2.104 1.00 21.14 N ANISOU 1393 NE ARG B 50 2605 2672 2754 -24 -162 -162 N ATOM 1394 CZ ARG B 50 9.022 -33.216 -3.284 1.00 25.22 C ANISOU 1394 CZ ARG B 50 3810 2754 3019 260 -80 -61 C ATOM 1395 NH1 ARG B 50 9.548 -34.443 -3.378 1.00 27.80 N ANISOU 1395 NH1 ARG B 50 3658 3041 3863 1022 -289 -224 N ATOM 1396 NH2 ARG B 50 8.666 -32.592 -4.367 1.00 26.45 N ANISOU 1396 NH2 ARG B 50 3996 2943 3109 658 -263 -62 N ATOM 0 H ARG B 50 11.659 -31.880 2.185 1.00 17.14 H new ATOM 0 HA ARG B 50 9.191 -31.588 2.829 1.00 15.89 H new ATOM 0 HB2 ARG B 50 10.421 -33.662 1.353 1.00 17.54 H new ATOM 0 HB3 ARG B 50 8.898 -33.775 1.670 1.00 17.54 H new ATOM 0 HG2 ARG B 50 8.472 -31.826 0.411 1.00 20.11 H new ATOM 0 HG3 ARG B 50 9.997 -31.658 0.130 1.00 20.11 H new ATOM 0 HD2 ARG B 50 10.044 -33.769 -0.960 1.00 21.24 H new ATOM 0 HD3 ARG B 50 8.530 -33.975 -0.648 1.00 21.24 H new ATOM 0 HE ARG B 50 8.523 -31.855 -2.073 1.00 21.14 H new ATOM 0 HH11 ARG B 50 9.779 -34.868 -2.667 1.00 27.80 H new ATOM 0 HH12 ARG B 50 9.655 -34.807 -4.150 1.00 27.80 H new ATOM 0 HH21 ARG B 50 8.319 -31.807 -4.316 1.00 26.45 H new ATOM 0 HH22 ARG B 50 8.778 -32.964 -5.134 1.00 26.45 H new ATOM 1397 N GLU B 51 10.510 -33.750 4.637 1.00 19.10 N ANISOU 1397 N GLU B 51 2078 2482 2695 535 -196 -14 N ATOM 1398 CA GLU B 51 10.176 -34.530 5.853 1.00 20.11 C ANISOU 1398 CA GLU B 51 2115 2640 2884 544 -165 115 C ATOM 1399 C GLU B 51 9.613 -33.636 6.969 1.00 18.51 C ANISOU 1399 C GLU B 51 1586 2775 2671 388 -87 150 C ATOM 1400 O GLU B 51 8.536 -33.908 7.587 1.00 20.21 O ANISOU 1400 O GLU B 51 1850 2998 2831 398 118 -54 O ATOM 1401 CB GLU B 51 11.348 -35.302 6.400 1.00 22.90 C ANISOU 1401 CB GLU B 51 2703 2973 3024 628 -175 255 C ATOM 1402 CG GLU B 51 10.952 -36.098 7.679 1.00 24.13 C ANISOU 1402 CG GLU B 51 2874 3009 3285 813 53 243 C ATOM 1403 CD GLU B 51 12.128 -36.722 8.405 1.00 30.50 C ANISOU 1403 CD GLU B 51 2648 4195 4742 349 -121 486 C ATOM 1404 OE1 GLU B 51 13.283 -36.210 8.363 1.00 29.91 O ANISOU 1404 OE1 GLU B 51 2787 3944 4631 360 -562 392 O ATOM 1405 OE2 GLU B 51 11.904 -37.793 9.011 1.00 37.61 O ANISOU 1405 OE2 GLU B 51 3999 4953 5337 76 -3 463 O ATOM 0 H GLU B 51 11.340 -33.728 4.411 1.00 19.10 H new ATOM 0 HA GLU B 51 9.499 -35.163 5.567 1.00 20.11 H new ATOM 0 HB2 GLU B 51 11.679 -35.915 5.724 1.00 22.90 H new ATOM 0 HB3 GLU B 51 12.072 -34.691 6.608 1.00 22.90 H new ATOM 0 HG2 GLU B 51 10.486 -35.503 8.288 1.00 24.13 H new ATOM 0 HG3 GLU B 51 10.327 -36.798 7.433 1.00 24.13 H new ATOM 1406 N GLN B 52 10.271 -32.525 7.203 1.00 19.49 N ANISOU 1406 N GLN B 52 1782 2864 2758 536 -435 -173 N ATOM 1407 CA GLN B 52 9.782 -31.600 8.234 1.00 20.34 C ANISOU 1407 CA GLN B 52 1988 3065 2674 347 -453 -208 C ATOM 1408 C GLN B 52 8.439 -30.924 7.830 1.00 19.39 C ANISOU 1408 C GLN B 52 1943 2858 2566 267 -311 -68 C ATOM 1409 O GLN B 52 7.576 -30.688 8.699 1.00 20.03 O ANISOU 1409 O GLN B 52 2232 2836 2542 362 -471 -52 O ATOM 1410 CB GLN B 52 10.814 -30.525 8.552 1.00 20.25 C ANISOU 1410 CB GLN B 52 1615 3255 2824 360 -197 -310 C ATOM 1411 CG GLN B 52 12.131 -31.017 9.239 1.00 23.62 C ANISOU 1411 CG GLN B 52 1438 3991 3545 296 -607 -287 C ATOM 1412 CD GLN B 52 13.118 -29.845 9.462 1.00 26.66 C ANISOU 1412 CD GLN B 52 2541 3659 3929 327 -538 -199 C ATOM 1413 OE1 GLN B 52 12.715 -28.658 9.581 1.00 30.06 O ANISOU 1413 OE1 GLN B 52 3392 4107 3922 824 -507 -145 O ATOM 1414 NE2 GLN B 52 14.416 -30.177 9.581 1.00 33.96 N ANISOU 1414 NE2 GLN B 52 3245 4749 4907 525 -268 195 N ATOM 0 H GLN B 52 10.987 -32.279 6.795 1.00 19.49 H new ATOM 0 HA GLN B 52 9.627 -32.137 9.027 1.00 20.34 H new ATOM 0 HB2 GLN B 52 11.050 -30.075 7.726 1.00 20.25 H new ATOM 0 HB3 GLN B 52 10.398 -29.863 9.127 1.00 20.25 H new ATOM 0 HG2 GLN B 52 11.919 -31.431 10.090 1.00 23.62 H new ATOM 0 HG3 GLN B 52 12.551 -31.697 8.689 1.00 23.62 H new ATOM 0 HE21 GLN B 52 14.660 -30.997 9.494 1.00 33.96 H new ATOM 0 HE22 GLN B 52 15.002 -29.569 9.744 1.00 33.96 H new ATOM 1415 N ILE B 53 8.305 -30.649 6.547 1.00 17.77 N ANISOU 1415 N ILE B 53 1707 2539 2504 178 -244 4 N ATOM 1416 CA ILE B 53 7.029 -30.094 6.080 1.00 18.61 C ANISOU 1416 CA ILE B 53 2030 2436 2602 313 -286 -31 C ATOM 1417 C ILE B 53 5.914 -31.130 6.265 1.00 17.75 C ANISOU 1417 C ILE B 53 1735 2543 2466 449 106 -29 C ATOM 1418 O ILE B 53 4.827 -30.760 6.715 1.00 18.26 O ANISOU 1418 O ILE B 53 1591 2710 2635 408 -36 -144 O ATOM 1419 CB ILE B 53 7.180 -29.594 4.621 1.00 17.34 C ANISOU 1419 CB ILE B 53 1690 2223 2672 8 -190 -25 C ATOM 1420 CG1 ILE B 53 8.193 -28.401 4.619 1.00 19.12 C ANISOU 1420 CG1 ILE B 53 1474 2703 3086 -118 -258 12 C ATOM 1421 CG2 ILE B 53 5.788 -29.230 4.051 1.00 16.89 C ANISOU 1421 CG2 ILE B 53 688 2835 2892 427 -405 162 C ATOM 1422 CD1 ILE B 53 8.699 -27.994 3.232 1.00 22.99 C ANISOU 1422 CD1 ILE B 53 2607 2999 3129 500 7 6 C ATOM 0 H ILE B 53 8.907 -30.766 5.944 1.00 17.77 H new ATOM 0 HA ILE B 53 6.776 -29.322 6.611 1.00 18.61 H new ATOM 0 HB ILE B 53 7.537 -30.282 4.038 1.00 17.34 H new ATOM 0 HG12 ILE B 53 7.770 -27.633 5.034 1.00 19.12 H new ATOM 0 HG13 ILE B 53 8.955 -28.638 5.171 1.00 19.12 H new ATOM 0 HG21 ILE B 53 5.884 -28.917 3.138 1.00 16.89 H new ATOM 0 HG22 ILE B 53 5.217 -30.014 4.066 1.00 16.89 H new ATOM 0 HG23 ILE B 53 5.390 -28.530 4.592 1.00 16.89 H new ATOM 0 HD11 ILE B 53 9.318 -27.253 3.318 1.00 22.99 H new ATOM 0 HD12 ILE B 53 9.151 -28.746 2.819 1.00 22.99 H new ATOM 0 HD13 ILE B 53 7.948 -27.725 2.680 1.00 22.99 H new ATOM 1423 N ALA B 54 6.146 -32.421 5.946 1.00 18.77 N ANISOU 1423 N ALA B 54 2023 2524 2583 233 -230 -30 N ATOM 1424 CA ALA B 54 5.107 -33.428 6.139 1.00 19.98 C ANISOU 1424 CA ALA B 54 2272 2645 2673 137 -49 -2 C ATOM 1425 C ALA B 54 4.721 -33.506 7.602 1.00 18.48 C ANISOU 1425 C ALA B 54 1977 2528 2515 178 -127 -53 C ATOM 1426 O ALA B 54 3.535 -33.621 7.954 1.00 19.89 O ANISOU 1426 O ALA B 54 2060 2707 2788 259 87 56 O ATOM 1427 CB ALA B 54 5.622 -34.750 5.697 1.00 19.38 C ANISOU 1427 CB ALA B 54 2012 2590 2758 -53 -316 -115 C ATOM 0 H ALA B 54 6.886 -32.719 5.624 1.00 18.77 H new ATOM 0 HA ALA B 54 4.326 -33.184 5.618 1.00 19.98 H new ATOM 0 HB1 ALA B 54 4.935 -35.424 5.823 1.00 19.38 H new ATOM 0 HB2 ALA B 54 5.863 -34.706 4.758 1.00 19.38 H new ATOM 0 HB3 ALA B 54 6.404 -34.984 6.221 1.00 19.38 H new ATOM 1428 N ALA B 55 5.713 -33.400 8.480 1.00 21.07 N ANISOU 1428 N ALA B 55 2506 2875 2622 413 -147 103 N ATOM 1429 CA ALA B 55 5.429 -33.474 9.917 1.00 20.36 C ANISOU 1429 CA ALA B 55 2161 3021 2552 550 -233 131 C ATOM 1430 C ALA B 55 4.583 -32.342 10.342 1.00 22.41 C ANISOU 1430 C ALA B 55 2743 3096 2677 338 184 34 C ATOM 1431 O ALA B 55 3.610 -32.551 11.109 1.00 23.51 O ANISOU 1431 O ALA B 55 2694 3501 2738 266 164 58 O ATOM 1432 CB ALA B 55 6.704 -33.483 10.710 1.00 22.94 C ANISOU 1432 CB ALA B 55 2458 3435 2824 512 -266 85 C ATOM 0 H ALA B 55 6.541 -33.287 8.275 1.00 21.07 H new ATOM 0 HA ALA B 55 4.950 -34.301 10.084 1.00 20.36 H new ATOM 0 HB1 ALA B 55 6.496 -33.532 11.656 1.00 22.94 H new ATOM 0 HB2 ALA B 55 7.238 -34.252 10.456 1.00 22.94 H new ATOM 0 HB3 ALA B 55 7.203 -32.671 10.531 1.00 22.94 H new ATOM 1433 N PHE B 56 4.929 -31.142 9.887 1.00 21.33 N ANISOU 1433 N PHE B 56 2412 3072 2618 431 -50 38 N ATOM 1434 CA PHE B 56 4.115 -29.969 10.179 1.00 22.20 C ANISOU 1434 CA PHE B 56 2441 3040 2951 434 22 -31 C ATOM 1435 C PHE B 56 2.641 -30.150 9.726 1.00 21.04 C ANISOU 1435 C PHE B 56 2207 3083 2703 116 109 -96 C ATOM 1436 O PHE B 56 1.706 -29.896 10.496 1.00 23.21 O ANISOU 1436 O PHE B 56 2980 3270 2568 125 72 -141 O ATOM 1437 CB PHE B 56 4.769 -28.765 9.518 1.00 23.02 C ANISOU 1437 CB PHE B 56 2576 3080 3090 423 27 -98 C ATOM 1438 CG PHE B 56 3.904 -27.539 9.488 1.00 26.12 C ANISOU 1438 CG PHE B 56 2888 3249 3785 352 211 -52 C ATOM 1439 CD1 PHE B 56 3.960 -26.676 10.541 1.00 28.18 C ANISOU 1439 CD1 PHE B 56 3003 3829 3874 484 252 -310 C ATOM 1440 CD2 PHE B 56 3.153 -27.216 8.375 1.00 30.49 C ANISOU 1440 CD2 PHE B 56 3714 3565 4302 323 49 63 C ATOM 1441 CE1 PHE B 56 3.164 -25.509 10.545 1.00 32.50 C ANISOU 1441 CE1 PHE B 56 4265 3567 4516 469 71 -116 C ATOM 1442 CE2 PHE B 56 2.368 -26.042 8.376 1.00 32.26 C ANISOU 1442 CE2 PHE B 56 3928 3695 4633 32 -65 -92 C ATOM 1443 CZ PHE B 56 2.383 -25.218 9.468 1.00 30.21 C ANISOU 1443 CZ PHE B 56 3563 3586 4328 285 233 -186 C ATOM 0 H PHE B 56 5.628 -30.987 9.410 1.00 21.33 H new ATOM 0 HA PHE B 56 4.074 -29.834 11.139 1.00 22.20 H new ATOM 0 HB2 PHE B 56 5.592 -28.557 9.988 1.00 23.02 H new ATOM 0 HB3 PHE B 56 5.013 -29.000 8.609 1.00 23.02 H new ATOM 0 HD1 PHE B 56 4.524 -26.856 11.259 1.00 28.18 H new ATOM 0 HD2 PHE B 56 3.164 -27.769 7.628 1.00 30.49 H new ATOM 0 HE1 PHE B 56 3.173 -24.941 11.281 1.00 32.50 H new ATOM 0 HE2 PHE B 56 1.843 -25.830 7.638 1.00 32.26 H new ATOM 0 HZ PHE B 56 1.855 -24.452 9.475 1.00 30.21 H new ATOM 1444 N TYR B 57 2.409 -30.593 8.488 1.00 19.90 N ANISOU 1444 N TYR B 57 2120 2770 2671 251 -129 11 N ATOM 1445 CA TYR B 57 1.017 -30.736 8.017 1.00 20.89 C ANISOU 1445 CA TYR B 57 2142 2982 2814 31 -152 131 C ATOM 1446 C TYR B 57 0.356 -31.898 8.734 1.00 21.28 C ANISOU 1446 C TYR B 57 1992 3154 2940 106 -208 329 C ATOM 1447 O TYR B 57 -0.859 -31.824 8.963 1.00 24.01 O ANISOU 1447 O TYR B 57 2124 3441 3555 -220 156 218 O ATOM 1448 CB TYR B 57 1.044 -30.949 6.484 1.00 20.04 C ANISOU 1448 CB TYR B 57 1958 2891 2765 57 -285 79 C ATOM 1449 CG TYR B 57 1.191 -29.614 5.825 1.00 18.78 C ANISOU 1449 CG TYR B 57 1773 2643 2717 130 -198 21 C ATOM 1450 CD1 TYR B 57 0.106 -28.707 5.725 1.00 18.56 C ANISOU 1450 CD1 TYR B 57 1340 2648 3064 264 -301 -11 C ATOM 1451 CD2 TYR B 57 2.369 -29.278 5.235 1.00 19.58 C ANISOU 1451 CD2 TYR B 57 1916 2703 2821 23 -169 -25 C ATOM 1452 CE1 TYR B 57 0.290 -27.501 5.104 1.00 18.76 C ANISOU 1452 CE1 TYR B 57 1594 2740 2792 -181 -176 -77 C ATOM 1453 CE2 TYR B 57 2.547 -28.046 4.611 1.00 19.50 C ANISOU 1453 CE2 TYR B 57 1895 2872 2642 92 -240 116 C ATOM 1454 CZ TYR B 57 1.509 -27.173 4.549 1.00 16.42 C ANISOU 1454 CZ TYR B 57 1216 2560 2461 211 -224 -42 C ATOM 1455 OH TYR B 57 1.726 -25.949 3.976 1.00 18.15 O ANISOU 1455 OH TYR B 57 1434 2560 2902 150 -340 11 O ATOM 0 H TYR B 57 3.016 -30.811 7.919 1.00 19.90 H new ATOM 0 HA TYR B 57 0.499 -29.940 8.213 1.00 20.89 H new ATOM 0 HB2 TYR B 57 1.780 -31.530 6.237 1.00 20.04 H new ATOM 0 HB3 TYR B 57 0.228 -31.383 6.189 1.00 20.04 H new ATOM 0 HD1 TYR B 57 -0.725 -28.930 6.079 1.00 18.56 H new ATOM 0 HD2 TYR B 57 3.073 -29.886 5.249 1.00 19.58 H new ATOM 0 HE1 TYR B 57 -0.415 -26.896 5.056 1.00 18.76 H new ATOM 0 HE2 TYR B 57 3.370 -27.823 4.240 1.00 19.50 H new ATOM 0 HH TYR B 57 1.094 -25.768 3.454 1.00 18.15 H new ATOM 1456 N ARG B 58 1.106 -32.968 9.067 1.00 22.28 N ANISOU 1456 N ARG B 58 2466 2993 3006 -50 -115 323 N ATOM 1457 CA ARG B 58 0.453 -34.114 9.781 1.00 25.45 C ANISOU 1457 CA ARG B 58 2913 3330 3425 -84 202 353 C ATOM 1458 C ARG B 58 -0.083 -33.675 11.137 1.00 25.44 C ANISOU 1458 C ARG B 58 2699 3412 3553 -13 314 294 C ATOM 1459 O ARG B 58 -1.181 -34.144 11.575 1.00 28.92 O ANISOU 1459 O ARG B 58 2863 3961 4165 -66 588 428 O ATOM 1460 CB ARG B 58 1.434 -35.284 9.961 1.00 24.40 C ANISOU 1460 CB ARG B 58 2755 3075 3440 -167 75 370 C ATOM 1461 CG ARG B 58 0.750 -36.705 10.094 1.00 31.10 C ANISOU 1461 CG ARG B 58 3765 3831 4220 -156 170 324 C ATOM 1462 CD ARG B 58 1.690 -37.847 9.529 1.00 33.99 C ANISOU 1462 CD ARG B 58 4289 3986 4638 65 65 213 C ATOM 1463 NE ARG B 58 1.545 -38.198 8.080 1.00 41.74 N ANISOU 1463 NE ARG B 58 5547 5061 5251 -141 -99 100 N ATOM 1464 CZ ARG B 58 0.447 -38.727 7.504 1.00 44.11 C ANISOU 1464 CZ ARG B 58 5572 5646 5539 -112 -107 110 C ATOM 1465 NH1 ARG B 58 -0.653 -38.969 8.222 1.00 45.22 N ANISOU 1465 NH1 ARG B 58 5612 5807 5762 52 14 95 N ATOM 1466 NH2 ARG B 58 0.445 -39.017 6.192 1.00 47.20 N ANISOU 1466 NH2 ARG B 58 5799 6096 6037 -70 -153 -41 N ATOM 0 H ARG B 58 1.946 -33.058 8.905 1.00 22.28 H new ATOM 0 HA ARG B 58 -0.290 -34.414 9.234 1.00 25.45 H new ATOM 0 HB2 ARG B 58 2.041 -35.300 9.205 1.00 24.40 H new ATOM 0 HB3 ARG B 58 1.971 -35.121 10.752 1.00 24.40 H new ATOM 0 HG2 ARG B 58 0.545 -36.882 11.025 1.00 31.10 H new ATOM 0 HG3 ARG B 58 -0.092 -36.708 9.613 1.00 31.10 H new ATOM 0 HD2 ARG B 58 2.610 -37.583 9.684 1.00 33.99 H new ATOM 0 HD3 ARG B 58 1.534 -38.650 10.050 1.00 33.99 H new ATOM 0 HE ARG B 58 2.222 -38.049 7.571 1.00 41.74 H new ATOM 0 HH11 ARG B 58 -0.667 -38.787 9.062 1.00 45.22 H new ATOM 0 HH12 ARG B 58 -1.348 -39.307 7.844 1.00 45.22 H new ATOM 0 HH21 ARG B 58 1.146 -38.865 5.717 1.00 47.20 H new ATOM 0 HH22 ARG B 58 -0.257 -39.354 5.827 1.00 47.20 H new ATOM 1467 N GLN B 59 0.690 -32.819 11.804 1.00 27.74 N ANISOU 1467 N GLN B 59 3161 3830 3546 96 355 238 N ATOM 1468 CA GLN B 59 0.363 -32.297 13.133 1.00 31.56 C ANISOU 1468 CA GLN B 59 3767 4184 4040 108 255 127 C ATOM 1469 C GLN B 59 -0.808 -31.330 13.006 1.00 32.83 C ANISOU 1469 C GLN B 59 3933 4407 4133 225 403 159 C ATOM 1470 O GLN B 59 -1.764 -31.406 13.817 1.00 34.05 O ANISOU 1470 O GLN B 59 3786 4642 4509 195 540 170 O ATOM 1471 CB GLN B 59 1.617 -31.626 13.771 1.00 33.06 C ANISOU 1471 CB GLN B 59 4160 4416 3983 21 190 24 C ATOM 1472 CG GLN B 59 2.426 -32.474 14.754 1.00 39.25 C ANISOU 1472 CG GLN B 59 4985 4785 5142 108 -21 28 C ATOM 1473 CD GLN B 59 1.625 -32.829 16.007 1.00 45.31 C ANISOU 1473 CD GLN B 59 5761 5842 5611 64 57 75 C ATOM 1474 OE1 GLN B 59 0.396 -32.720 16.032 1.00 49.39 O ANISOU 1474 OE1 GLN B 59 5876 6371 6518 44 -165 -8 O ATOM 1475 NE2 GLN B 59 2.315 -33.277 17.048 1.00 48.64 N ANISOU 1475 NE2 GLN B 59 6019 6366 6095 67 -278 114 N ATOM 0 H GLN B 59 1.433 -32.519 11.492 1.00 27.74 H new ATOM 0 HA GLN B 59 0.099 -33.019 13.725 1.00 31.56 H new ATOM 0 HB2 GLN B 59 2.208 -31.347 13.055 1.00 33.06 H new ATOM 0 HB3 GLN B 59 1.329 -30.822 14.231 1.00 33.06 H new ATOM 0 HG2 GLN B 59 2.714 -33.289 14.314 1.00 39.25 H new ATOM 0 HG3 GLN B 59 3.228 -31.992 15.011 1.00 39.25 H new ATOM 0 HE21 GLN B 59 3.171 -33.342 17.001 1.00 48.64 H new ATOM 0 HE22 GLN B 59 1.906 -33.502 17.770 1.00 48.64 H new ATOM 1476 N GLY B 60 -0.778 -30.446 12.000 1.00 33.04 N ANISOU 1476 N GLY B 60 3847 4382 4324 379 273 146 N ATOM 1477 CA GLY B 60 -1.921 -29.494 11.788 1.00 35.81 C ANISOU 1477 CA GLY B 60 4309 4638 4658 333 139 99 C ATOM 1478 C GLY B 60 -3.168 -30.151 11.215 1.00 35.88 C ANISOU 1478 C GLY B 60 4152 4794 4685 354 89 163 C ATOM 1479 O GLY B 60 -4.316 -29.755 11.537 1.00 38.17 O ANISOU 1479 O GLY B 60 4408 5241 4853 376 166 149 O ATOM 0 H GLY B 60 -0.133 -30.370 11.437 1.00 33.04 H new ATOM 0 HA2 GLY B 60 -2.145 -29.077 12.635 1.00 35.81 H new ATOM 0 HA3 GLY B 60 -1.635 -28.786 11.190 1.00 35.81 H new ATOM 1480 N LEU B 61 -2.964 -31.129 10.342 1.00 36.32 N ANISOU 1480 N LEU B 61 4261 4868 4671 177 4 198 N ATOM 1481 CA LEU B 61 -4.049 -31.861 9.702 1.00 36.62 C ANISOU 1481 CA LEU B 61 4198 4861 4851 46 22 105 C ATOM 1482 C LEU B 61 -3.992 -33.358 10.084 1.00 38.68 C ANISOU 1482 C LEU B 61 4559 4953 5183 -71 52 -15 C ATOM 1483 O LEU B 61 -4.341 -34.259 9.260 1.00 39.94 O ANISOU 1483 O LEU B 61 4991 5041 5143 -286 292 -224 O ATOM 1484 CB LEU B 61 -4.030 -31.674 8.167 1.00 35.73 C ANISOU 1484 CB LEU B 61 3745 4915 4915 155 -65 220 C ATOM 1485 CG LEU B 61 -3.660 -30.341 7.535 1.00 32.36 C ANISOU 1485 CG LEU B 61 3357 4465 4472 357 -105 26 C ATOM 1486 CD1 LEU B 61 -3.401 -30.534 6.040 1.00 28.24 C ANISOU 1486 CD1 LEU B 61 2324 4114 4290 105 -264 88 C ATOM 1487 CD2 LEU B 61 -4.771 -29.278 7.742 1.00 36.37 C ANISOU 1487 CD2 LEU B 61 3958 4888 4973 433 214 82 C ATOM 0 H LEU B 61 -2.181 -31.390 10.101 1.00 36.32 H new ATOM 0 HA LEU B 61 -4.888 -31.497 10.026 1.00 36.62 H new ATOM 0 HB2 LEU B 61 -3.417 -32.336 7.810 1.00 35.73 H new ATOM 0 HB3 LEU B 61 -4.915 -31.904 7.844 1.00 35.73 H new ATOM 0 HG LEU B 61 -2.856 -30.018 7.971 1.00 32.36 H new ATOM 0 HD11 LEU B 61 -3.165 -29.682 5.640 1.00 28.24 H new ATOM 0 HD12 LEU B 61 -2.672 -31.162 5.916 1.00 28.24 H new ATOM 0 HD13 LEU B 61 -4.201 -30.880 5.615 1.00 28.24 H new ATOM 0 HD21 LEU B 61 -4.502 -28.443 7.327 1.00 36.37 H new ATOM 0 HD22 LEU B 61 -5.596 -29.589 7.337 1.00 36.37 H new ATOM 0 HD23 LEU B 61 -4.911 -29.136 8.691 1.00 36.37 H new ATOM 1488 N LYS B 65 -10.997 -33.126 11.435 1.00 36.07 N ANISOU 1488 N LYS B 65 4797 4170 4736 -147 20 97 N ATOM 1489 CA LYS B 65 -11.748 -32.427 10.400 1.00 33.52 C ANISOU 1489 CA LYS B 65 4286 3867 4583 -191 106 95 C ATOM 1490 C LYS B 65 -11.260 -30.969 10.294 1.00 32.26 C ANISOU 1490 C LYS B 65 4179 3739 4338 -233 195 23 C ATOM 1491 O LYS B 65 -11.297 -30.191 11.261 1.00 32.37 O ANISOU 1491 O LYS B 65 4322 3750 4226 -303 347 88 O ATOM 1492 CB LYS B 65 -13.207 -32.436 10.815 1.00 35.57 C ANISOU 1492 CB LYS B 65 4410 4329 4775 -176 61 -12 C ATOM 1493 CG LYS B 65 -14.150 -31.608 9.935 1.00 39.02 C ANISOU 1493 CG LYS B 65 4831 4758 5236 -6 22 160 C ATOM 1494 CD LYS B 65 -15.386 -31.202 10.814 1.00 44.20 C ANISOU 1494 CD LYS B 65 5458 5773 5561 56 156 -36 C ATOM 1495 CE LYS B 65 -16.688 -30.999 10.053 1.00 46.13 C ANISOU 1495 CE LYS B 65 5665 5820 6041 84 32 55 C ATOM 1496 NZ LYS B 65 -17.659 -30.309 10.954 1.00 48.42 N ANISOU 1496 NZ LYS B 65 6128 6138 6131 -89 165 -58 N ATOM 0 HA LYS B 65 -11.626 -32.860 9.540 1.00 33.52 H new ATOM 0 HB2 LYS B 65 -13.519 -33.354 10.821 1.00 35.57 H new ATOM 0 HB3 LYS B 65 -13.270 -32.109 11.726 1.00 35.57 H new ATOM 0 HG2 LYS B 65 -13.697 -30.819 9.599 1.00 39.02 H new ATOM 0 HG3 LYS B 65 -14.435 -32.122 9.163 1.00 39.02 H new ATOM 0 HD2 LYS B 65 -15.525 -31.887 11.486 1.00 44.20 H new ATOM 0 HD3 LYS B 65 -15.173 -30.381 11.286 1.00 44.20 H new ATOM 0 HE2 LYS B 65 -16.533 -30.470 9.255 1.00 46.13 H new ATOM 0 HE3 LYS B 65 -17.045 -31.853 9.762 1.00 46.13 H new ATOM 0 HZ1 LYS B 65 -18.427 -30.183 10.522 1.00 48.42 H new ATOM 0 HZ2 LYS B 65 -17.803 -30.810 11.675 1.00 48.42 H new ATOM 0 HZ3 LYS B 65 -17.326 -29.522 11.202 1.00 48.42 H new ATOM 1497 N VAL B 66 -10.776 -30.619 9.118 1.00 28.53 N ANISOU 1497 N VAL B 66 3629 3137 4074 -252 233 98 N ATOM 1498 CA VAL B 66 -10.288 -29.255 8.871 1.00 27.15 C ANISOU 1498 CA VAL B 66 2992 3307 4015 -360 253 96 C ATOM 1499 C VAL B 66 -10.920 -28.850 7.570 1.00 25.87 C ANISOU 1499 C VAL B 66 2969 3073 3784 -416 360 -62 C ATOM 1500 O VAL B 66 -11.108 -29.695 6.678 1.00 28.84 O ANISOU 1500 O VAL B 66 3743 3178 4035 -301 206 -226 O ATOM 1501 CB VAL B 66 -8.716 -29.200 8.737 1.00 27.25 C ANISOU 1501 CB VAL B 66 3003 3370 3981 -300 132 212 C ATOM 1502 CG1 VAL B 66 -8.283 -27.820 8.253 1.00 25.05 C ANISOU 1502 CG1 VAL B 66 1845 3638 4031 -66 224 421 C ATOM 1503 CG2 VAL B 66 -8.057 -29.540 10.041 1.00 28.34 C ANISOU 1503 CG2 VAL B 66 2738 3883 4146 94 134 74 C ATOM 0 H VAL B 66 -10.717 -31.148 8.443 1.00 28.53 H new ATOM 0 HA VAL B 66 -10.517 -28.668 9.608 1.00 27.15 H new ATOM 0 HB VAL B 66 -8.436 -29.860 8.084 1.00 27.25 H new ATOM 0 HG11 VAL B 66 -7.317 -27.793 8.173 1.00 25.05 H new ATOM 0 HG12 VAL B 66 -8.684 -27.640 7.388 1.00 25.05 H new ATOM 0 HG13 VAL B 66 -8.573 -27.148 8.890 1.00 25.05 H new ATOM 0 HG21 VAL B 66 -7.093 -29.500 9.937 1.00 28.34 H new ATOM 0 HG22 VAL B 66 -8.335 -28.905 10.719 1.00 28.34 H new ATOM 0 HG23 VAL B 66 -8.316 -30.435 10.311 1.00 28.34 H new ATOM 1504 N ARG B 67 -11.320 -27.601 7.446 1.00 22.77 N ANISOU 1504 N ARG B 67 2076 2850 3725 -696 363 87 N ATOM 1505 CA ARG B 67 -11.706 -27.122 6.154 1.00 23.45 C ANISOU 1505 CA ARG B 67 2486 2882 3542 -638 364 54 C ATOM 1506 C ARG B 67 -10.852 -25.940 5.824 1.00 21.48 C ANISOU 1506 C ARG B 67 2400 2528 3231 -504 340 -124 C ATOM 1507 O ARG B 67 -10.421 -25.239 6.700 1.00 21.48 O ANISOU 1507 O ARG B 67 2346 2873 2940 -635 259 -11 O ATOM 1508 CB ARG B 67 -13.213 -26.815 6.067 1.00 27.56 C ANISOU 1508 CB ARG B 67 3092 3353 4027 -604 198 25 C ATOM 1509 CG ARG B 67 -13.837 -25.643 6.671 1.00 30.08 C ANISOU 1509 CG ARG B 67 3173 3795 4458 -420 172 162 C ATOM 1510 CD ARG B 67 -15.367 -25.576 6.282 1.00 34.83 C ANISOU 1510 CD ARG B 67 3755 4543 4935 22 -35 164 C ATOM 1511 NE ARG B 67 -15.968 -26.915 6.277 1.00 38.77 N ANISOU 1511 NE ARG B 67 4441 4753 5533 -151 -194 85 N ATOM 1512 CZ ARG B 67 -16.564 -27.483 7.334 1.00 43.03 C ANISOU 1512 CZ ARG B 67 5059 5647 5643 85 -106 149 C ATOM 1513 NH1 ARG B 67 -16.652 -26.840 8.482 1.00 45.96 N ANISOU 1513 NH1 ARG B 67 5448 6113 5901 300 -66 51 N ATOM 1514 NH2 ARG B 67 -17.079 -28.702 7.245 1.00 46.89 N ANISOU 1514 NH2 ARG B 67 5648 5867 6301 77 -121 95 N ATOM 0 H ARG B 67 -11.373 -27.030 8.087 1.00 22.77 H new ATOM 0 HA ARG B 67 -11.561 -27.816 5.492 1.00 23.45 H new ATOM 0 HB2 ARG B 67 -13.430 -26.782 5.122 1.00 27.56 H new ATOM 0 HB3 ARG B 67 -13.670 -27.587 6.436 1.00 27.56 H new ATOM 0 HG2 ARG B 67 -13.743 -25.680 7.636 1.00 30.08 H new ATOM 0 HG3 ARG B 67 -13.385 -24.838 6.373 1.00 30.08 H new ATOM 0 HD2 ARG B 67 -15.839 -25.008 6.911 1.00 34.83 H new ATOM 0 HD3 ARG B 67 -15.464 -25.171 5.406 1.00 34.83 H new ATOM 0 HE ARG B 67 -15.935 -27.366 5.545 1.00 38.77 H new ATOM 0 HH11 ARG B 67 -16.325 -26.048 8.557 1.00 45.96 H new ATOM 0 HH12 ARG B 67 -17.036 -27.213 9.155 1.00 45.96 H new ATOM 0 HH21 ARG B 67 -17.032 -29.136 6.504 1.00 46.89 H new ATOM 0 HH22 ARG B 67 -17.460 -29.059 7.929 1.00 46.89 H new ATOM 1515 N ALA B 68 -10.654 -25.701 4.552 1.00 19.49 N ANISOU 1515 N ALA B 68 1830 2465 3109 -274 81 20 N ATOM 1516 CA ALA B 68 -9.901 -24.492 4.161 1.00 17.79 C ANISOU 1516 CA ALA B 68 1662 2157 2939 -256 42 55 C ATOM 1517 C ALA B 68 -10.596 -23.935 2.939 1.00 18.67 C ANISOU 1517 C ALA B 68 1706 2470 2917 -162 2 -114 C ATOM 1518 O ALA B 68 -10.912 -24.691 2.014 1.00 20.41 O ANISOU 1518 O ALA B 68 1910 2593 3252 -333 -150 -186 O ATOM 1519 CB ALA B 68 -8.467 -24.825 3.846 1.00 18.57 C ANISOU 1519 CB ALA B 68 1406 2297 3349 -29 -51 -168 C ATOM 0 H ALA B 68 -10.929 -26.195 3.904 1.00 19.49 H new ATOM 0 HA ALA B 68 -9.885 -23.846 4.885 1.00 17.79 H new ATOM 0 HB1 ALA B 68 -7.995 -24.016 3.593 1.00 18.57 H new ATOM 0 HB2 ALA B 68 -8.045 -25.213 4.629 1.00 18.57 H new ATOM 0 HB3 ALA B 68 -8.435 -25.460 3.114 1.00 18.57 H new ATOM 1520 N CYS B 69 -10.830 -22.627 2.913 1.00 18.20 N ANISOU 1520 N CYS B 69 1684 2315 2916 -447 57 23 N ATOM 1521 CA ACYS B 69 -11.403 -22.021 1.724 0.50 19.07 C ANISOU 1521 CA ACYS B 69 1413 2664 3166 -255 -87 -36 C ATOM 1522 CA BCYS B 69 -11.503 -21.946 1.809 0.50 18.29 C ANISOU 1522 CA BCYS B 69 1242 2577 3129 -269 -34 -90 C ATOM 1523 C CYS B 69 -10.731 -20.711 1.438 1.00 17.49 C ANISOU 1523 C CYS B 69 1502 2326 2815 -275 -238 -29 C ATOM 1524 O CYS B 69 -10.393 -19.951 2.360 1.00 17.93 O ANISOU 1524 O CYS B 69 1352 2609 2850 -303 -21 -234 O ATOM 1525 CB ACYS B 69 -12.870 -21.735 1.921 0.50 22.93 C ANISOU 1525 CB ACYS B 69 1964 3267 3482 -203 -188 -12 C ATOM 1526 CB BCYS B 69 -12.914 -21.450 2.214 0.50 20.97 C ANISOU 1526 CB BCYS B 69 1663 3083 3222 -225 -133 -169 C ATOM 1527 SG ACYS B 69 -13.004 -20.879 3.419 0.50 31.36 S ANISOU 1527 SG ACYS B 69 2795 4404 4716 -47 344 -339 S ATOM 1528 SG BCYS B 69 -14.138 -22.787 2.468 0.50 30.23 S ANISOU 1528 SG BCYS B 69 2496 3708 5281 -50 240 -531 S ATOM 0 H ACYS B 69 -10.667 -22.085 3.560 0.50 18.20 H new ATOM 0 H BCYS B 69 -10.597 -22.098 3.550 0.50 18.20 H new ATOM 0 HA ACYS B 69 -11.277 -22.644 0.992 0.50 18.29 H new ATOM 0 HA BCYS B 69 -11.563 -22.585 1.081 0.50 18.29 H new ATOM 0 HB2ACYS B 69 -13.220 -21.205 1.188 0.50 20.97 H new ATOM 0 HB2BCYS B 69 -12.841 -20.933 3.031 0.50 20.97 H new ATOM 0 HB3ACYS B 69 -13.382 -22.558 1.946 0.50 20.97 H new ATOM 0 HB3BCYS B 69 -13.244 -20.850 1.527 0.50 20.97 H new ATOM 0 HG ACYS B 69 -12.033 -20.191 3.575 0.50 30.23 H new ATOM 0 HG BCYS B 69 -14.200 -23.056 3.636 0.50 30.23 H new ATOM 1529 N LEU B 70 -10.529 -20.453 0.149 1.00 16.43 N ANISOU 1529 N LEU B 70 1073 2324 2842 16 -267 -41 N ATOM 1530 CA LEU B 70 -10.088 -19.130 -0.282 1.00 16.92 C ANISOU 1530 CA LEU B 70 1110 2495 2821 -46 -278 -189 C ATOM 1531 C LEU B 70 -11.128 -18.141 0.105 1.00 17.34 C ANISOU 1531 C LEU B 70 829 2539 3219 -140 -117 -8 C ATOM 1532 O LEU B 70 -12.368 -18.397 -0.065 1.00 20.85 O ANISOU 1532 O LEU B 70 982 2794 4144 -243 -175 -114 O ATOM 1533 CB LEU B 70 -9.943 -19.037 -1.786 1.00 18.07 C ANISOU 1533 CB LEU B 70 748 3196 2919 -129 -596 -122 C ATOM 1534 CG LEU B 70 -8.644 -19.647 -2.289 1.00 19.30 C ANISOU 1534 CG LEU B 70 1276 3163 2891 -31 -564 -279 C ATOM 1535 CD1 LEU B 70 -8.742 -19.836 -3.843 1.00 23.06 C ANISOU 1535 CD1 LEU B 70 2171 3709 2881 -444 -382 -483 C ATOM 1536 CD2 LEU B 70 -7.388 -18.836 -1.952 1.00 17.51 C ANISOU 1536 CD2 LEU B 70 776 2987 2889 -438 -692 -541 C ATOM 0 H LEU B 70 -10.640 -21.023 -0.485 1.00 16.43 H new ATOM 0 HA LEU B 70 -9.228 -18.960 0.134 1.00 16.92 H new ATOM 0 HB2 LEU B 70 -10.692 -19.487 -2.208 1.00 18.07 H new ATOM 0 HB3 LEU B 70 -9.984 -18.106 -2.054 1.00 18.07 H new ATOM 0 HG LEU B 70 -8.542 -20.495 -1.828 1.00 19.30 H new ATOM 0 HD11 LEU B 70 -7.918 -20.225 -4.175 1.00 23.06 H new ATOM 0 HD12 LEU B 70 -9.484 -20.425 -4.051 1.00 23.06 H new ATOM 0 HD13 LEU B 70 -8.885 -18.975 -4.266 1.00 23.06 H new ATOM 0 HD21 LEU B 70 -6.606 -19.289 -2.305 1.00 17.51 H new ATOM 0 HD22 LEU B 70 -7.457 -17.953 -2.348 1.00 17.51 H new ATOM 0 HD23 LEU B 70 -7.305 -18.752 -0.989 1.00 17.51 H new ATOM 1537 N THR B 71 -10.735 -16.980 0.577 1.00 17.43 N ANISOU 1537 N THR B 71 1530 2197 2895 37 -301 13 N ATOM 1538 CA THR B 71 -11.655 -15.930 0.973 1.00 17.89 C ANISOU 1538 CA THR B 71 1173 2622 3000 -33 -52 -102 C ATOM 1539 C THR B 71 -11.442 -14.709 0.123 1.00 17.38 C ANISOU 1539 C THR B 71 1400 2553 2649 125 -84 6 C ATOM 1540 O THR B 71 -12.036 -13.645 0.386 1.00 19.53 O ANISOU 1540 O THR B 71 1623 2682 3114 145 147 -128 O ATOM 1541 CB THR B 71 -11.533 -15.572 2.413 1.00 18.76 C ANISOU 1541 CB THR B 71 1297 3004 2825 -58 -324 -24 C ATOM 1542 OG1 THR B 71 -10.138 -15.347 2.723 1.00 21.39 O ANISOU 1542 OG1 THR B 71 1786 3157 3183 84 -472 -298 O ATOM 1543 CG2 THR B 71 -11.950 -16.770 3.321 1.00 21.80 C ANISOU 1543 CG2 THR B 71 1666 3519 3096 -277 -223 160 C ATOM 0 H THR B 71 -9.907 -16.771 0.680 1.00 17.43 H new ATOM 0 HA THR B 71 -12.552 -16.274 0.838 1.00 17.89 H new ATOM 0 HB THR B 71 -12.093 -14.795 2.569 1.00 18.76 H new ATOM 0 HG1 THR B 71 -10.017 -14.535 2.899 1.00 21.39 H new ATOM 0 HG21 THR B 71 -11.863 -16.515 4.253 1.00 21.80 H new ATOM 0 HG22 THR B 71 -12.871 -17.011 3.137 1.00 21.80 H new ATOM 0 HG23 THR B 71 -11.375 -17.530 3.139 1.00 21.80 H new ATOM 1544 N GLY B 72 -10.728 -14.879 -0.975 1.00 16.62 N ANISOU 1544 N GLY B 72 1006 2469 2837 -16 -209 -136 N ATOM 1545 CA GLY B 72 -10.583 -13.898 -2.016 1.00 17.44 C ANISOU 1545 CA GLY B 72 1519 2510 2598 103 -224 112 C ATOM 1546 C GLY B 72 -9.726 -14.477 -3.122 1.00 16.52 C ANISOU 1546 C GLY B 72 1342 2351 2581 -125 -327 27 C ATOM 1547 O GLY B 72 -9.229 -15.599 -2.941 1.00 17.58 O ANISOU 1547 O GLY B 72 1239 2426 3013 76 -156 128 O ATOM 0 H GLY B 72 -10.297 -15.605 -1.136 1.00 16.62 H new ATOM 0 HA2 GLY B 72 -11.453 -13.646 -2.363 1.00 17.44 H new ATOM 0 HA3 GLY B 72 -10.175 -13.092 -1.663 1.00 17.44 H new ATOM 1548 N PRO B 73 -9.532 -13.779 -4.220 1.00 17.30 N ANISOU 1548 N PRO B 73 1537 2362 2672 147 -513 52 N ATOM 1549 CA PRO B 73 -8.752 -14.325 -5.321 1.00 16.53 C ANISOU 1549 CA PRO B 73 1299 2493 2488 48 -498 -8 C ATOM 1550 C PRO B 73 -7.281 -14.488 -4.966 1.00 16.16 C ANISOU 1550 C PRO B 73 1396 2319 2424 -149 -265 -113 C ATOM 1551 O PRO B 73 -6.727 -13.781 -4.093 1.00 16.39 O ANISOU 1551 O PRO B 73 1564 2052 2611 -17 -510 -293 O ATOM 1552 CB PRO B 73 -8.899 -13.302 -6.466 1.00 18.60 C ANISOU 1552 CB PRO B 73 1612 2746 2709 466 -422 16 C ATOM 1553 CG PRO B 73 -9.309 -11.997 -5.729 1.00 20.98 C ANISOU 1553 CG PRO B 73 2500 2589 2882 165 -261 19 C ATOM 1554 CD PRO B 73 -10.131 -12.469 -4.541 1.00 19.67 C ANISOU 1554 CD PRO B 73 1902 2491 3078 350 -220 98 C ATOM 0 HA PRO B 73 -9.071 -15.210 -5.556 1.00 16.53 H new ATOM 0 HB2 PRO B 73 -8.069 -13.191 -6.956 1.00 18.60 H new ATOM 0 HB3 PRO B 73 -9.572 -13.577 -7.108 1.00 18.60 H new ATOM 0 HG2 PRO B 73 -8.530 -11.495 -5.442 1.00 20.98 H new ATOM 0 HG3 PRO B 73 -9.826 -11.414 -6.306 1.00 20.98 H new ATOM 0 HD2 PRO B 73 -10.069 -11.853 -3.794 1.00 19.67 H new ATOM 0 HD3 PRO B 73 -11.071 -12.549 -4.765 1.00 19.67 H new ATOM 1555 N VAL B 74 -6.648 -15.422 -5.657 1.00 16.48 N ANISOU 1555 N VAL B 74 1710 2237 2311 -76 -482 -219 N ATOM 1556 CA VAL B 74 -5.165 -15.466 -5.615 1.00 16.07 C ANISOU 1556 CA VAL B 74 1542 2182 2381 52 -510 -131 C ATOM 1557 C VAL B 74 -4.638 -14.272 -6.342 1.00 16.30 C ANISOU 1557 C VAL B 74 1704 2088 2399 256 -382 -87 C ATOM 1558 O VAL B 74 -5.101 -13.912 -7.431 1.00 17.48 O ANISOU 1558 O VAL B 74 1766 2562 2311 -180 -594 90 O ATOM 1559 CB VAL B 74 -4.679 -16.758 -6.295 1.00 15.71 C ANISOU 1559 CB VAL B 74 1416 2070 2483 279 -409 -301 C ATOM 1560 CG1 VAL B 74 -3.152 -16.793 -6.339 1.00 17.08 C ANISOU 1560 CG1 VAL B 74 1518 2599 2371 288 -184 -337 C ATOM 1561 CG2 VAL B 74 -5.254 -17.987 -5.585 1.00 19.10 C ANISOU 1561 CG2 VAL B 74 2259 2329 2667 -10 -821 -169 C ATOM 0 H VAL B 74 -7.025 -16.023 -6.142 1.00 16.48 H new ATOM 0 HA VAL B 74 -4.848 -15.456 -4.698 1.00 16.07 H new ATOM 0 HB VAL B 74 -5.000 -16.773 -7.210 1.00 15.71 H new ATOM 0 HG11 VAL B 74 -2.859 -17.611 -6.769 1.00 17.08 H new ATOM 0 HG12 VAL B 74 -2.825 -16.030 -6.840 1.00 17.08 H new ATOM 0 HG13 VAL B 74 -2.801 -16.760 -5.435 1.00 17.08 H new ATOM 0 HG21 VAL B 74 -4.939 -18.792 -6.025 1.00 19.10 H new ATOM 0 HG22 VAL B 74 -4.965 -17.991 -4.659 1.00 19.10 H new ATOM 0 HG23 VAL B 74 -6.223 -17.958 -5.621 1.00 19.10 H new ATOM 1562 N ARG B 75 -3.646 -13.628 -5.752 1.00 16.04 N ANISOU 1562 N ARG B 75 1644 2200 2248 -123 -377 -73 N ATOM 1563 CA ARG B 75 -2.864 -12.548 -6.390 1.00 14.23 C ANISOU 1563 CA ARG B 75 919 2501 1986 -10 -208 7 C ATOM 1564 C ARG B 75 -1.546 -13.113 -6.876 1.00 17.03 C ANISOU 1564 C ARG B 75 1572 2791 2105 419 -78 56 C ATOM 1565 O ARG B 75 -0.760 -13.528 -6.082 1.00 21.93 O ANISOU 1565 O ARG B 75 2112 3936 2284 858 -64 222 O ATOM 1566 CB ARG B 75 -2.676 -11.396 -5.406 1.00 15.59 C ANISOU 1566 CB ARG B 75 1144 2609 2168 -3 -456 -170 C ATOM 1567 CG ARG B 75 -3.799 -10.469 -5.129 1.00 15.61 C ANISOU 1567 CG ARG B 75 963 2420 2546 23 -106 -31 C ATOM 1568 CD ARG B 75 -5.011 -11.090 -4.489 1.00 15.53 C ANISOU 1568 CD ARG B 75 956 2239 2706 -163 -177 -233 C ATOM 1569 NE ARG B 75 -5.816 -9.976 -3.989 1.00 16.72 N ANISOU 1569 NE ARG B 75 1572 2244 2535 24 40 -200 N ATOM 1570 CZ ARG B 75 -6.843 -10.115 -3.161 1.00 15.26 C ANISOU 1570 CZ ARG B 75 1488 2169 2139 60 -400 -84 C ATOM 1571 NH1 ARG B 75 -7.295 -11.329 -2.794 1.00 15.16 N ANISOU 1571 NH1 ARG B 75 1147 2017 2593 -124 -373 42 N ATOM 1572 NH2 ARG B 75 -7.425 -8.996 -2.675 1.00 16.84 N ANISOU 1572 NH2 ARG B 75 1799 2199 2397 290 -256 -323 N ATOM 0 H ARG B 75 -3.392 -13.802 -4.949 1.00 16.04 H new ATOM 0 HA ARG B 75 -3.337 -12.193 -7.159 1.00 14.23 H new ATOM 0 HB2 ARG B 75 -2.404 -11.782 -4.558 1.00 15.59 H new ATOM 0 HB3 ARG B 75 -1.932 -10.861 -5.726 1.00 15.59 H new ATOM 0 HG2 ARG B 75 -3.477 -9.759 -4.552 1.00 15.61 H new ATOM 0 HG3 ARG B 75 -4.070 -10.056 -5.964 1.00 15.61 H new ATOM 0 HD2 ARG B 75 -5.510 -11.619 -5.131 1.00 15.53 H new ATOM 0 HD3 ARG B 75 -4.756 -11.686 -3.767 1.00 15.53 H new ATOM 0 HE ARG B 75 -5.611 -9.182 -4.248 1.00 16.72 H new ATOM 0 HH11 ARG B 75 -6.916 -12.039 -3.098 1.00 15.16 H new ATOM 0 HH12 ARG B 75 -7.963 -11.395 -2.256 1.00 15.16 H new ATOM 0 HH21 ARG B 75 -7.128 -8.222 -2.904 1.00 16.84 H new ATOM 0 HH22 ARG B 75 -8.093 -9.058 -2.136 1.00 16.84 H new ATOM 1573 N ALA B 76 -1.386 -13.148 -8.155 1.00 19.83 N ANISOU 1573 N ALA B 76 2271 3111 2152 398 -24 117 N ATOM 1574 CA ALA B 76 -0.155 -13.722 -8.705 1.00 20.09 C ANISOU 1574 CA ALA B 76 2548 2907 2175 137 71 83 C ATOM 1575 C ALA B 76 0.661 -12.665 -9.329 1.00 22.17 C ANISOU 1575 C ALA B 76 2807 2991 2623 182 124 289 C ATOM 1576 O ALA B 76 0.137 -11.777 -9.935 1.00 27.18 O ANISOU 1576 O ALA B 76 3358 3532 3437 415 125 474 O ATOM 1577 CB ALA B 76 -0.516 -14.816 -9.733 1.00 21.95 C ANISOU 1577 CB ALA B 76 2874 2975 2490 56 28 -115 C ATOM 0 H ALA B 76 -1.951 -12.857 -8.734 1.00 19.83 H new ATOM 0 HA ALA B 76 0.365 -14.122 -7.991 1.00 20.09 H new ATOM 0 HB1 ALA B 76 0.297 -15.198 -10.099 1.00 21.95 H new ATOM 0 HB2 ALA B 76 -1.032 -15.512 -9.297 1.00 21.95 H new ATOM 0 HB3 ALA B 76 -1.041 -14.426 -10.450 1.00 21.95 H new ATOM 1578 N SER B 77 1.953 -12.860 -9.346 1.00 23.58 N ANISOU 1578 N SER B 77 2663 3183 3112 1 87 376 N ATOM 1579 CA SER B 77 2.971 -11.989 -10.000 1.00 24.82 C ANISOU 1579 CA SER B 77 2868 3303 3256 -85 -15 299 C ATOM 1580 C SER B 77 3.440 -12.623 -11.297 1.00 25.51 C ANISOU 1580 C SER B 77 2959 3475 3256 -71 41 329 C ATOM 1581 O SER B 77 3.140 -13.767 -11.638 1.00 26.85 O ANISOU 1581 O SER B 77 2868 3848 3485 -204 315 263 O ATOM 1582 CB SER B 77 4.192 -11.835 -9.079 1.00 27.56 C ANISOU 1582 CB SER B 77 3284 3570 3616 -33 -192 244 C ATOM 1583 OG SER B 77 5.055 -12.960 -9.175 1.00 30.63 O ANISOU 1583 OG SER B 77 4048 3679 3910 85 223 168 O ATOM 0 H SER B 77 2.309 -13.540 -8.959 1.00 23.58 H new ATOM 0 HA SER B 77 2.568 -11.124 -10.176 1.00 24.82 H new ATOM 0 HB2 SER B 77 4.679 -11.030 -9.315 1.00 27.56 H new ATOM 0 HB3 SER B 77 3.896 -11.729 -8.161 1.00 27.56 H new ATOM 0 HG SER B 77 5.840 -12.728 -8.987 1.00 30.63 H new ATOM 1584 N HIS B 78 4.349 -11.923 -11.950 1.00 27.25 N ANISOU 1584 N HIS B 78 3175 3881 3295 69 132 413 N ATOM 1585 CA HIS B 78 4.952 -12.421 -13.171 1.00 28.92 C ANISOU 1585 CA HIS B 78 3469 4118 3400 227 130 430 C ATOM 1586 C HIS B 78 6.334 -12.975 -12.897 1.00 28.95 C ANISOU 1586 C HIS B 78 3376 4202 3422 185 216 403 C ATOM 1587 O HIS B 78 7.145 -13.153 -13.818 1.00 32.96 O ANISOU 1587 O HIS B 78 3772 4707 4042 336 393 466 O ATOM 1588 CB HIS B 78 4.985 -11.301 -14.207 1.00 28.03 C ANISOU 1588 CB HIS B 78 3387 3943 3317 -36 -15 427 C ATOM 1589 CG HIS B 78 3.651 -11.085 -14.832 1.00 29.59 C ANISOU 1589 CG HIS B 78 3551 4082 3608 322 24 265 C ATOM 1590 ND1 HIS B 78 3.019 -12.077 -15.551 1.00 32.80 N ANISOU 1590 ND1 HIS B 78 4031 4540 3888 301 -30 139 N ATOM 1591 CD2 HIS B 78 2.790 -10.052 -14.770 1.00 30.75 C ANISOU 1591 CD2 HIS B 78 3783 4273 3625 224 189 -167 C ATOM 1592 CE1 HIS B 78 1.849 -11.631 -15.965 1.00 31.69 C ANISOU 1592 CE1 HIS B 78 3923 4124 3993 170 -46 -7 C ATOM 1593 NE2 HIS B 78 1.692 -10.408 -15.503 1.00 30.13 N ANISOU 1593 NE2 HIS B 78 3905 4261 3280 172 348 -161 N ATOM 0 H HIS B 78 4.633 -11.150 -11.701 1.00 27.25 H new ATOM 0 HA HIS B 78 4.420 -13.151 -13.524 1.00 28.92 H new ATOM 0 HB2 HIS B 78 5.281 -10.479 -13.785 1.00 28.03 H new ATOM 0 HB3 HIS B 78 5.633 -11.516 -14.895 1.00 28.03 H new ATOM 0 HD2 HIS B 78 2.917 -9.250 -14.316 1.00 30.75 H new ATOM 0 HE1 HIS B 78 1.241 -12.098 -16.491 1.00 31.69 H new ATOM 0 HE2 HIS B 78 1.005 -9.910 -15.641 1.00 30.13 H new ATOM 1594 N ASN B 79 6.622 -13.258 -11.654 1.00 29.89 N ANISOU 1594 N ASN B 79 3389 4134 3831 199 225 610 N ATOM 1595 CA ASN B 79 7.905 -13.856 -11.376 1.00 30.03 C ANISOU 1595 CA ASN B 79 3394 4203 3812 126 327 558 C ATOM 1596 C ASN B 79 7.804 -15.054 -10.445 1.00 27.29 C ANISOU 1596 C ASN B 79 3001 4013 3354 139 388 658 C ATOM 1597 O ASN B 79 8.683 -15.289 -9.589 1.00 29.31 O ANISOU 1597 O ASN B 79 2811 4523 3803 360 596 586 O ATOM 1598 CB ASN B 79 8.866 -12.803 -10.891 1.00 31.21 C ANISOU 1598 CB ASN B 79 3532 4258 4065 -20 45 443 C ATOM 1599 CG ASN B 79 8.576 -12.269 -9.510 1.00 34.91 C ANISOU 1599 CG ASN B 79 4093 4631 4537 81 149 174 C ATOM 1600 OD1 ASN B 79 7.425 -12.550 -8.977 1.00 42.47 O flip ANISOU 1600 OD1 ASN B 79 5178 5372 5587 -157 -166 -70 O ATOM 1601 ND2 ASN B 79 9.442 -11.603 -8.913 1.00 38.73 N flip ANISOU 1601 ND2 ASN B 79 4439 5199 5074 0 -55 205 N ATOM 0 H ASN B 79 6.113 -13.120 -10.975 1.00 29.89 H new ATOM 0 HA ASN B 79 8.259 -14.219 -12.203 1.00 30.03 H new ATOM 0 HB2 ASN B 79 9.763 -13.173 -10.899 1.00 31.21 H new ATOM 0 HB3 ASN B 79 8.859 -12.063 -11.518 1.00 31.21 H new ATOM 0 HD21 ASN B 79 10.194 -11.435 -9.295 1.00 38.73 H new ATOM 0 HD22 ASN B 79 9.288 -11.311 -8.119 1.00 38.73 H new ATOM 1602 N GLY B 80 6.722 -15.812 -10.629 1.00 25.63 N ANISOU 1602 N GLY B 80 2664 3897 3178 350 718 472 N ATOM 1603 CA GLY B 80 6.624 -17.109 -10.015 1.00 24.32 C ANISOU 1603 CA GLY B 80 2661 3493 3084 436 597 481 C ATOM 1604 C GLY B 80 6.198 -16.986 -8.554 1.00 23.80 C ANISOU 1604 C GLY B 80 2832 3190 3019 362 570 494 C ATOM 1605 O GLY B 80 6.385 -17.927 -7.789 1.00 24.45 O ANISOU 1605 O GLY B 80 3087 3295 2907 732 508 641 O ATOM 0 H GLY B 80 6.043 -15.584 -11.105 1.00 25.63 H new ATOM 0 HA2 GLY B 80 5.983 -17.653 -10.499 1.00 24.32 H new ATOM 0 HA3 GLY B 80 7.479 -17.563 -10.070 1.00 24.32 H new ATOM 1606 N CYS B 81 5.587 -15.878 -8.165 1.00 22.76 N ANISOU 1606 N CYS B 81 2635 3073 2940 259 717 382 N ATOM 1607 CA CYS B 81 5.109 -15.739 -6.789 1.00 20.63 C ANISOU 1607 CA CYS B 81 1974 3060 2802 213 388 233 C ATOM 1608 C CYS B 81 3.656 -15.394 -6.729 1.00 18.69 C ANISOU 1608 C CYS B 81 1790 2941 2369 428 245 218 C ATOM 1609 O CYS B 81 3.072 -14.930 -7.695 1.00 21.23 O ANISOU 1609 O CYS B 81 2369 3279 2415 58 238 488 O ATOM 1610 CB CYS B 81 5.899 -14.693 -5.977 1.00 24.09 C ANISOU 1610 CB CYS B 81 1949 3712 3493 127 442 -64 C ATOM 1611 SG CYS B 81 7.714 -14.884 -5.932 1.00 32.58 S ANISOU 1611 SG CYS B 81 2590 4554 5232 0 582 364 S ATOM 0 H CYS B 81 5.438 -15.199 -8.672 1.00 22.76 H new ATOM 0 HA CYS B 81 5.252 -16.611 -6.389 1.00 20.63 H new ATOM 0 HB2 CYS B 81 5.696 -13.815 -6.337 1.00 24.09 H new ATOM 0 HB3 CYS B 81 5.571 -14.708 -5.064 1.00 24.09 H new ATOM 0 HG CYS B 81 8.206 -14.252 -6.826 1.00 32.58 H new ATOM 1612 N GLY B 82 3.087 -15.710 -5.599 1.00 15.93 N ANISOU 1612 N GLY B 82 1203 2661 2188 402 0 112 N ATOM 1613 CA GLY B 82 1.735 -15.328 -5.428 1.00 16.39 C ANISOU 1613 CA GLY B 82 1224 2785 2219 476 23 178 C ATOM 1614 C GLY B 82 1.404 -15.208 -3.946 1.00 13.83 C ANISOU 1614 C GLY B 82 898 2387 1967 152 218 13 C ATOM 1615 O GLY B 82 2.106 -15.689 -3.077 1.00 15.53 O ANISOU 1615 O GLY B 82 1217 2513 2167 78 -206 218 O ATOM 0 H GLY B 82 3.454 -16.130 -4.944 1.00 15.93 H new ATOM 0 HA2 GLY B 82 1.573 -14.481 -5.872 1.00 16.39 H new ATOM 0 HA3 GLY B 82 1.152 -15.982 -5.844 1.00 16.39 H new ATOM 1616 N ALA B 83 0.259 -14.636 -3.678 1.00 14.16 N ANISOU 1616 N ALA B 83 853 2465 2060 193 -40 -9 N ATOM 1617 CA ALA B 83 -0.292 -14.448 -2.366 1.00 13.29 C ANISOU 1617 CA ALA B 83 859 2190 1999 -34 -38 -12 C ATOM 1618 C ALA B 83 -1.832 -14.736 -2.362 1.00 12.09 C ANISOU 1618 C ALA B 83 805 1891 1896 151 -232 16 C ATOM 1619 O ALA B 83 -2.473 -14.420 -3.331 1.00 14.17 O ANISOU 1619 O ALA B 83 1027 2303 2050 89 -219 216 O ATOM 1620 CB ALA B 83 -0.031 -13.034 -1.844 1.00 15.02 C ANISOU 1620 CB ALA B 83 1138 1960 2608 -189 -196 -79 C ATOM 0 H ALA B 83 -0.251 -14.327 -4.297 1.00 14.16 H new ATOM 0 HA ALA B 83 0.151 -15.078 -1.776 1.00 13.29 H new ATOM 0 HB1 ALA B 83 -0.415 -12.940 -0.958 1.00 15.02 H new ATOM 0 HB2 ALA B 83 0.925 -12.876 -1.800 1.00 15.02 H new ATOM 0 HB3 ALA B 83 -0.438 -12.388 -2.442 1.00 15.02 H new ATOM 1621 N MET B 84 -2.305 -15.303 -1.266 1.00 11.59 N ANISOU 1621 N MET B 84 508 1953 1940 -51 -126 -87 N ATOM 1622 CA MET B 84 -3.723 -15.532 -1.230 1.00 11.83 C ANISOU 1622 CA MET B 84 420 1970 2101 181 136 -152 C ATOM 1623 C MET B 84 -4.254 -15.448 0.159 1.00 12.31 C ANISOU 1623 C MET B 84 893 1834 1948 149 -331 -44 C ATOM 1624 O MET B 84 -3.561 -15.808 1.120 1.00 13.78 O ANISOU 1624 O MET B 84 1072 2065 2099 151 -250 -90 O ATOM 1625 CB MET B 84 -4.095 -16.939 -1.794 1.00 14.24 C ANISOU 1625 CB MET B 84 1070 2061 2276 -30 -213 -143 C ATOM 1626 CG MET B 84 -3.437 -18.047 -0.953 1.00 16.14 C ANISOU 1626 CG MET B 84 1648 1961 2523 -152 -258 -273 C ATOM 1627 SD MET B 84 -3.756 -19.635 -1.783 1.00 17.67 S ANISOU 1627 SD MET B 84 1742 2184 2785 -223 173 -363 S ATOM 1628 CE MET B 84 -2.512 -20.620 -0.961 1.00 19.67 C ANISOU 1628 CE MET B 84 2238 2392 2844 412 3 -6 C ATOM 0 H MET B 84 -1.853 -15.547 -0.577 1.00 11.59 H new ATOM 0 HA MET B 84 -4.119 -14.839 -1.782 1.00 11.83 H new ATOM 0 HB2 MET B 84 -5.059 -17.051 -1.790 1.00 14.24 H new ATOM 0 HB3 MET B 84 -3.805 -17.011 -2.717 1.00 14.24 H new ATOM 0 HG2 MET B 84 -2.483 -17.891 -0.871 1.00 16.14 H new ATOM 0 HG3 MET B 84 -3.801 -18.054 -0.054 1.00 16.14 H new ATOM 0 HE1 MET B 84 -1.940 -21.038 -1.624 1.00 19.67 H new ATOM 0 HE2 MET B 84 -1.977 -20.051 -0.385 1.00 19.67 H new ATOM 0 HE3 MET B 84 -2.943 -21.306 -0.427 1.00 19.67 H new ATOM 1629 N PRO B 85 -5.493 -15.000 0.324 1.00 12.87 N ANISOU 1629 N PRO B 85 771 1987 2129 -109 -183 -203 N ATOM 1630 CA PRO B 85 -6.156 -15.006 1.641 1.00 12.53 C ANISOU 1630 CA PRO B 85 768 1911 2079 -84 -66 -132 C ATOM 1631 C PRO B 85 -7.106 -16.217 1.773 1.00 13.63 C ANISOU 1631 C PRO B 85 1179 2014 1986 -231 -70 -259 C ATOM 1632 O PRO B 85 -7.790 -16.562 0.806 1.00 14.39 O ANISOU 1632 O PRO B 85 1208 2080 2180 -208 -113 -140 O ATOM 1633 CB PRO B 85 -6.997 -13.715 1.560 1.00 13.44 C ANISOU 1633 CB PRO B 85 743 2115 2247 116 -239 -192 C ATOM 1634 CG PRO B 85 -7.474 -13.697 0.060 1.00 16.44 C ANISOU 1634 CG PRO B 85 1433 2380 2430 148 -143 -159 C ATOM 1635 CD PRO B 85 -6.411 -14.460 -0.759 1.00 12.46 C ANISOU 1635 CD PRO B 85 324 2137 2272 201 -330 -138 C ATOM 0 HA PRO B 85 -5.539 -15.055 2.388 1.00 12.53 H new ATOM 0 HB2 PRO B 85 -7.747 -13.736 2.175 1.00 13.44 H new ATOM 0 HB3 PRO B 85 -6.472 -12.930 1.779 1.00 13.44 H new ATOM 0 HG2 PRO B 85 -8.343 -14.118 -0.029 1.00 16.44 H new ATOM 0 HG3 PRO B 85 -7.566 -12.786 -0.260 1.00 16.44 H new ATOM 0 HD2 PRO B 85 -6.804 -15.172 -1.288 1.00 12.46 H new ATOM 0 HD3 PRO B 85 -5.940 -13.876 -1.374 1.00 12.46 H new ATOM 1636 N PHE B 86 -7.083 -16.812 2.954 1.00 13.61 N ANISOU 1636 N PHE B 86 1114 1874 2181 -342 70 -98 N ATOM 1637 CA PHE B 86 -7.970 -17.954 3.141 1.00 13.68 C ANISOU 1637 CA PHE B 86 1209 1934 2056 -240 153 -102 C ATOM 1638 C PHE B 86 -8.312 -18.085 4.592 1.00 15.57 C ANISOU 1638 C PHE B 86 1358 2139 2418 -86 126 46 C ATOM 1639 O PHE B 86 -7.757 -17.385 5.482 1.00 15.74 O ANISOU 1639 O PHE B 86 1349 2400 2229 -273 130 -210 O ATOM 1640 CB PHE B 86 -7.311 -19.283 2.598 1.00 15.19 C ANISOU 1640 CB PHE B 86 1364 1931 2476 121 -183 -142 C ATOM 1641 CG PHE B 86 -6.009 -19.696 3.203 1.00 15.05 C ANISOU 1641 CG PHE B 86 1527 2006 2182 79 -123 -213 C ATOM 1642 CD1 PHE B 86 -4.856 -19.035 2.862 1.00 16.82 C ANISOU 1642 CD1 PHE B 86 1444 2483 2461 -49 197 -160 C ATOM 1643 CD2 PHE B 86 -5.957 -20.706 4.116 1.00 17.45 C ANISOU 1643 CD2 PHE B 86 1641 2400 2588 -83 -146 -142 C ATOM 1644 CE1 PHE B 86 -3.621 -19.431 3.367 1.00 17.51 C ANISOU 1644 CE1 PHE B 86 1723 2361 2568 157 67 -259 C ATOM 1645 CE2 PHE B 86 -4.754 -21.170 4.639 1.00 17.58 C ANISOU 1645 CE2 PHE B 86 1505 2514 2658 287 8 60 C ATOM 1646 CZ PHE B 86 -3.546 -20.527 4.239 1.00 18.31 C ANISOU 1646 CZ PHE B 86 1482 2757 2717 219 159 -64 C ATOM 0 H PHE B 86 -6.594 -16.591 3.626 1.00 13.61 H new ATOM 0 HA PHE B 86 -8.783 -17.805 2.633 1.00 13.68 H new ATOM 0 HB2 PHE B 86 -7.945 -20.006 2.725 1.00 15.19 H new ATOM 0 HB3 PHE B 86 -7.181 -19.185 1.642 1.00 15.19 H new ATOM 0 HD1 PHE B 86 -4.901 -18.309 2.283 1.00 16.82 H new ATOM 0 HD2 PHE B 86 -6.751 -21.098 4.399 1.00 17.45 H new ATOM 0 HE1 PHE B 86 -2.849 -18.971 3.127 1.00 17.51 H new ATOM 0 HE2 PHE B 86 -4.738 -21.883 5.236 1.00 17.58 H new ATOM 0 HZ PHE B 86 -2.723 -20.829 4.551 1.00 18.31 H new ATOM 1647 N ARG B 87 -9.256 -18.988 4.838 1.00 17.57 N ANISOU 1647 N ARG B 87 1887 2379 2408 -446 431 61 N ATOM 1648 CA ARG B 87 -9.664 -19.239 6.180 1.00 18.26 C ANISOU 1648 CA ARG B 87 1865 2460 2613 -112 419 -38 C ATOM 1649 C ARG B 87 -9.565 -20.753 6.441 1.00 17.67 C ANISOU 1649 C ARG B 87 1969 2383 2361 -378 449 120 C ATOM 1650 O ARG B 87 -10.001 -21.529 5.567 1.00 20.53 O ANISOU 1650 O ARG B 87 2550 2413 2835 -554 196 -157 O ATOM 1651 CB ARG B 87 -11.123 -18.819 6.383 1.00 21.18 C ANISOU 1651 CB ARG B 87 2191 3006 2851 120 745 -200 C ATOM 1652 CG ARG B 87 -11.633 -19.094 7.826 1.00 22.35 C ANISOU 1652 CG ARG B 87 1337 3886 3268 201 454 99 C ATOM 1653 CD ARG B 87 -12.959 -18.338 8.030 1.00 26.05 C ANISOU 1653 CD ARG B 87 2230 4063 3603 569 380 -112 C ATOM 1654 NE ARG B 87 -12.666 -17.014 8.584 1.00 35.35 N ANISOU 1654 NE ARG B 87 3913 4615 4902 126 183 -108 N ATOM 1655 CZ ARG B 87 -13.385 -16.424 9.547 1.00 38.72 C ANISOU 1655 CZ ARG B 87 4381 5125 5206 26 389 -159 C ATOM 1656 NH1 ARG B 87 -14.460 -17.034 10.084 1.00 42.24 N ANISOU 1656 NH1 ARG B 87 4800 5279 5968 -293 314 51 N ATOM 1657 NH2 ARG B 87 -13.043 -15.214 9.980 1.00 38.09 N ANISOU 1657 NH2 ARG B 87 3807 5200 5465 81 440 -167 N ATOM 0 H ARG B 87 -9.660 -19.454 4.238 1.00 17.57 H new ATOM 0 HA ARG B 87 -9.096 -18.736 6.784 1.00 18.26 H new ATOM 0 HB2 ARG B 87 -11.213 -17.873 6.187 1.00 21.18 H new ATOM 0 HB3 ARG B 87 -11.683 -19.295 5.750 1.00 21.18 H new ATOM 0 HG2 ARG B 87 -11.764 -20.046 7.961 1.00 22.35 H new ATOM 0 HG3 ARG B 87 -10.976 -18.802 8.477 1.00 22.35 H new ATOM 0 HD2 ARG B 87 -13.430 -18.253 7.186 1.00 26.05 H new ATOM 0 HD3 ARG B 87 -13.539 -18.833 8.630 1.00 26.05 H new ATOM 0 HE ARG B 87 -11.988 -16.588 8.270 1.00 35.35 H new ATOM 0 HH11 ARG B 87 -14.694 -17.815 9.809 1.00 42.24 H new ATOM 0 HH12 ARG B 87 -14.912 -16.643 10.702 1.00 42.24 H new ATOM 0 HH21 ARG B 87 -12.362 -14.813 9.642 1.00 38.09 H new ATOM 0 HH22 ARG B 87 -13.503 -14.833 10.598 1.00 38.09 H new ATOM 1658 N VAL B 88 -9.022 -21.156 7.599 1.00 16.88 N ANISOU 1658 N VAL B 88 1407 2342 2663 -421 392 123 N ATOM 1659 CA VAL B 88 -8.965 -22.573 7.960 1.00 20.56 C ANISOU 1659 CA VAL B 88 2132 2723 2953 -257 430 181 C ATOM 1660 C VAL B 88 -9.883 -22.746 9.158 1.00 21.28 C ANISOU 1660 C VAL B 88 2413 2765 2905 -579 371 44 C ATOM 1661 O VAL B 88 -9.881 -21.940 10.097 1.00 23.29 O ANISOU 1661 O VAL B 88 2735 2985 3130 -834 624 -84 O ATOM 1662 CB VAL B 88 -7.548 -22.939 8.390 1.00 21.38 C ANISOU 1662 CB VAL B 88 2086 2787 3250 -103 418 349 C ATOM 1663 CG1 VAL B 88 -7.434 -24.389 8.855 1.00 26.58 C ANISOU 1663 CG1 VAL B 88 3036 3066 3995 -204 109 318 C ATOM 1664 CG2 VAL B 88 -6.551 -22.673 7.255 1.00 25.03 C ANISOU 1664 CG2 VAL B 88 2580 3650 3278 -5 407 44 C ATOM 0 H VAL B 88 -8.684 -20.624 8.184 1.00 16.88 H new ATOM 0 HA VAL B 88 -9.225 -23.132 7.211 1.00 20.56 H new ATOM 0 HB VAL B 88 -7.332 -22.373 9.147 1.00 21.38 H new ATOM 0 HG11 VAL B 88 -6.519 -24.574 9.117 1.00 26.58 H new ATOM 0 HG12 VAL B 88 -8.022 -24.533 9.613 1.00 26.58 H new ATOM 0 HG13 VAL B 88 -7.689 -24.982 8.131 1.00 26.58 H new ATOM 0 HG21 VAL B 88 -5.657 -22.911 7.547 1.00 25.03 H new ATOM 0 HG22 VAL B 88 -6.791 -23.207 6.481 1.00 25.03 H new ATOM 0 HG23 VAL B 88 -6.573 -21.733 7.018 1.00 25.03 H new ATOM 1665 N GLU B 89 -10.749 -23.757 9.082 1.00 22.31 N ANISOU 1665 N GLU B 89 2486 2854 3134 -836 598 -5 N ATOM 1666 CA GLU B 89 -11.688 -24.007 10.207 1.00 26.19 C ANISOU 1666 CA GLU B 89 3012 3253 3686 -511 475 105 C ATOM 1667 C GLU B 89 -11.281 -25.334 10.808 1.00 26.78 C ANISOU 1667 C GLU B 89 3361 3201 3610 -608 508 197 C ATOM 1668 O GLU B 89 -11.058 -26.286 10.096 1.00 26.76 O ANISOU 1668 O GLU B 89 3613 2906 3648 -685 478 181 O ATOM 1669 CB GLU B 89 -13.147 -24.015 9.711 1.00 27.56 C ANISOU 1669 CB GLU B 89 3054 3456 3959 -551 281 11 C ATOM 1670 CG GLU B 89 -13.594 -22.588 9.436 1.00 31.51 C ANISOU 1670 CG GLU B 89 3751 4001 4217 -217 291 139 C ATOM 1671 CD GLU B 89 -15.049 -22.448 9.413 1.00 40.09 C ANISOU 1671 CD GLU B 89 4465 5351 5414 -50 -1 -77 C ATOM 1672 OE1 GLU B 89 -15.689 -23.210 8.645 1.00 44.27 O ANISOU 1672 OE1 GLU B 89 5279 5800 5741 -57 22 -236 O ATOM 1673 OE2 GLU B 89 -15.562 -21.576 10.175 1.00 46.17 O ANISOU 1673 OE2 GLU B 89 5617 5981 5944 -72 -177 -202 O ATOM 0 H GLU B 89 -10.818 -24.299 8.418 1.00 22.31 H new ATOM 0 HA GLU B 89 -11.643 -23.306 10.876 1.00 26.19 H new ATOM 0 HB2 GLU B 89 -13.222 -24.549 8.905 1.00 27.56 H new ATOM 0 HB3 GLU B 89 -13.723 -24.423 10.376 1.00 27.56 H new ATOM 0 HG2 GLU B 89 -13.227 -22.001 10.116 1.00 31.51 H new ATOM 0 HG3 GLU B 89 -13.231 -22.298 8.585 1.00 31.51 H new ATOM 1674 N MET B 90 -11.119 -25.374 12.126 1.00 29.65 N ANISOU 1674 N MET B 90 3922 3432 3910 -450 244 221 N ATOM 1675 CA MET B 90 -10.661 -26.598 12.773 1.00 32.66 C ANISOU 1675 CA MET B 90 4242 3961 4206 -255 203 246 C ATOM 1676 C MET B 90 -11.355 -26.724 14.125 1.00 33.95 C ANISOU 1676 C MET B 90 4491 4059 4349 -215 246 198 C ATOM 1677 O MET B 90 -12.156 -25.875 14.500 1.00 34.23 O ANISOU 1677 O MET B 90 4402 4143 4461 -358 466 366 O ATOM 1678 CB MET B 90 -9.154 -26.534 12.949 1.00 34.67 C ANISOU 1678 CB MET B 90 4521 4273 4377 -121 117 247 C ATOM 1679 CG MET B 90 -8.744 -25.423 13.902 1.00 39.31 C ANISOU 1679 CG MET B 90 4996 5013 4926 -80 106 -55 C ATOM 1680 SD MET B 90 -8.352 -23.907 13.030 1.00 50.41 S ANISOU 1680 SD MET B 90 6468 6327 6358 171 185 348 S ATOM 1681 CE MET B 90 -6.634 -24.288 12.675 1.00 49.45 C ANISOU 1681 CE MET B 90 6110 6572 6104 -39 97 11 C ATOM 0 H MET B 90 -11.266 -24.714 12.657 1.00 29.65 H new ATOM 0 HA MET B 90 -10.877 -27.373 12.231 1.00 32.66 H new ATOM 0 HB2 MET B 90 -8.831 -27.385 13.286 1.00 34.67 H new ATOM 0 HB3 MET B 90 -8.733 -26.392 12.087 1.00 34.67 H new ATOM 0 HG2 MET B 90 -9.462 -25.257 14.533 1.00 39.31 H new ATOM 0 HG3 MET B 90 -7.973 -25.708 14.418 1.00 39.31 H new ATOM 0 HE1 MET B 90 -6.234 -23.552 12.185 1.00 49.45 H new ATOM 0 HE2 MET B 90 -6.153 -24.422 13.507 1.00 49.45 H new ATOM 0 HE3 MET B 90 -6.585 -25.096 12.140 1.00 49.45 H new ATOM 1682 N VAL B 91 -10.986 -27.759 14.865 1.00 36.55 N ANISOU 1682 N VAL B 91 4812 4560 4513 -181 188 222 N ATOM 1683 CA VAL B 91 -11.546 -28.044 16.166 1.00 38.67 C ANISOU 1683 CA VAL B 91 5109 4851 4733 -124 138 156 C ATOM 1684 C VAL B 91 -10.367 -28.087 17.090 1.00 39.87 C ANISOU 1684 C VAL B 91 5232 5044 4871 -63 117 127 C ATOM 1685 O VAL B 91 -9.349 -28.743 16.802 1.00 40.60 O ANISOU 1685 O VAL B 91 5444 5099 4881 84 112 33 O ATOM 1686 CB VAL B 91 -12.279 -29.407 16.160 1.00 39.13 C ANISOU 1686 CB VAL B 91 5156 4874 4838 -187 140 180 C ATOM 1687 CG1 VAL B 91 -12.440 -29.957 17.574 1.00 41.35 C ANISOU 1687 CG1 VAL B 91 5539 5076 5095 -56 99 173 C ATOM 1688 CG2 VAL B 91 -13.633 -29.262 15.497 1.00 39.35 C ANISOU 1688 CG2 VAL B 91 5074 4946 4930 -70 93 201 C ATOM 0 H VAL B 91 -10.389 -28.326 14.615 1.00 36.55 H new ATOM 0 HA VAL B 91 -12.200 -27.380 16.434 1.00 38.67 H new ATOM 0 HB VAL B 91 -11.741 -30.037 15.656 1.00 39.13 H new ATOM 0 HG11 VAL B 91 -12.901 -30.810 17.539 1.00 41.35 H new ATOM 0 HG12 VAL B 91 -11.565 -30.079 17.975 1.00 41.35 H new ATOM 0 HG13 VAL B 91 -12.956 -29.332 18.108 1.00 41.35 H new ATOM 0 HG21 VAL B 91 -14.087 -30.119 15.497 1.00 39.35 H new ATOM 0 HG22 VAL B 91 -14.165 -28.615 15.986 1.00 39.35 H new ATOM 0 HG23 VAL B 91 -13.515 -28.959 14.583 1.00 39.35 H new ATOM 1689 N TRP B 92 -10.468 -27.330 18.171 1.00 41.85 N ANISOU 1689 N TRP B 92 5596 5263 5040 -74 143 141 N ATOM 1690 CA TRP B 92 -9.399 -27.296 19.146 1.00 44.06 C ANISOU 1690 CA TRP B 92 5776 5610 5354 -59 77 83 C ATOM 1691 C TRP B 92 -10.054 -27.522 20.501 1.00 45.01 C ANISOU 1691 C TRP B 92 5916 5749 5435 -26 111 106 C ATOM 1692 O TRP B 92 -10.901 -26.730 20.933 1.00 45.35 O ANISOU 1692 O TRP B 92 6013 5761 5455 -34 130 110 O ATOM 1693 CB TRP B 92 -8.670 -25.964 19.083 1.00 45.36 C ANISOU 1693 CB TRP B 92 5942 5716 5574 -79 80 103 C ATOM 1694 CG TRP B 92 -7.539 -25.808 20.075 1.00 46.21 C ANISOU 1694 CG TRP B 92 5984 5870 5701 -15 -17 28 C ATOM 1695 CD1 TRP B 92 -6.906 -26.796 20.771 1.00 47.08 C ANISOU 1695 CD1 TRP B 92 5944 5950 5993 -1 -18 38 C ATOM 1696 CD2 TRP B 92 -6.902 -24.584 20.449 1.00 47.98 C ANISOU 1696 CD2 TRP B 92 6124 5966 6139 -77 -116 39 C ATOM 1697 NE1 TRP B 92 -5.924 -26.257 21.580 1.00 47.79 N ANISOU 1697 NE1 TRP B 92 6101 6031 6022 -72 -54 -38 N ATOM 1698 CE2 TRP B 92 -5.900 -24.901 21.396 1.00 48.30 C ANISOU 1698 CE2 TRP B 92 6201 5975 6174 -55 -144 -34 C ATOM 1699 CE3 TRP B 92 -7.087 -23.240 20.082 1.00 48.83 C ANISOU 1699 CE3 TRP B 92 6272 5963 6316 -63 -157 -47 C ATOM 1700 CZ2 TRP B 92 -5.071 -23.921 21.976 1.00 49.84 C ANISOU 1700 CZ2 TRP B 92 6387 6120 6429 -58 -183 22 C ATOM 1701 CZ3 TRP B 92 -6.274 -22.266 20.666 1.00 48.69 C ANISOU 1701 CZ3 TRP B 92 6178 5957 6361 -79 -205 -60 C ATOM 1702 CH2 TRP B 92 -5.281 -22.616 21.609 1.00 49.11 C ANISOU 1702 CH2 TRP B 92 6354 6009 6294 -56 -159 5 C ATOM 0 H TRP B 92 -11.144 -26.832 18.356 1.00 41.85 H new ATOM 0 HA TRP B 92 -8.731 -27.979 18.976 1.00 44.06 H new ATOM 0 HB2 TRP B 92 -8.316 -25.846 18.188 1.00 45.36 H new ATOM 0 HB3 TRP B 92 -9.312 -25.252 19.230 1.00 45.36 H new ATOM 0 HD1 TRP B 92 -7.107 -27.702 20.710 1.00 47.08 H new ATOM 0 HE1 TRP B 92 -5.413 -26.700 22.111 1.00 47.79 H new ATOM 0 HE3 TRP B 92 -7.739 -23.004 19.462 1.00 48.83 H new ATOM 0 HZ2 TRP B 92 -4.406 -24.150 22.585 1.00 49.84 H new ATOM 0 HZ3 TRP B 92 -6.388 -21.373 20.431 1.00 48.69 H new ATOM 0 HH2 TRP B 92 -4.759 -21.947 21.989 1.00 49.11 H new ATOM 1703 N ASN B 93 -9.698 -28.636 21.131 1.00 46.11 N ANISOU 1703 N ASN B 93 5970 5913 5637 -8 128 107 N ATOM 1704 CA ASN B 93 -10.311 -29.032 22.400 1.00 46.83 C ANISOU 1704 CA ASN B 93 6030 6035 5727 -77 112 94 C ATOM 1705 C ASN B 93 -11.836 -28.905 22.307 1.00 47.33 C ANISOU 1705 C ASN B 93 6055 6085 5843 -46 97 83 C ATOM 1706 O ASN B 93 -12.474 -28.123 23.028 1.00 48.13 O ANISOU 1706 O ASN B 93 6093 6195 5998 -59 119 30 O ATOM 1707 CB ASN B 93 -9.741 -28.204 23.547 1.00 47.30 C ANISOU 1707 CB ASN B 93 6080 6052 5840 -62 92 90 C ATOM 1708 CG ASN B 93 -8.284 -28.523 23.817 1.00 48.05 C ANISOU 1708 CG ASN B 93 6184 6142 5929 -19 41 94 C ATOM 1709 OD1 ASN B 93 -7.821 -29.676 23.333 1.00 50.00 O flip ANISOU 1709 OD1 ASN B 93 6368 6255 6371 -136 15 69 O ATOM 1710 ND2 ASN B 93 -7.588 -27.753 24.459 1.00 49.54 N flip ANISOU 1710 ND2 ASN B 93 6367 6418 6037 90 134 76 N ATOM 0 H ASN B 93 -9.100 -29.181 20.840 1.00 46.11 H new ATOM 0 HA ASN B 93 -10.101 -29.961 22.582 1.00 46.83 H new ATOM 0 HB2 ASN B 93 -9.830 -27.261 23.338 1.00 47.30 H new ATOM 0 HB3 ASN B 93 -10.260 -28.367 24.350 1.00 47.30 H new ATOM 0 HD21 ASN B 93 -7.921 -27.018 24.756 1.00 49.54 H new ATOM 0 HD22 ASN B 93 -6.764 -27.946 24.615 1.00 49.54 H new ATOM 1711 N GLY B 94 -12.395 -29.647 21.359 1.00 47.27 N ANISOU 1711 N GLY B 94 6007 6070 5881 -129 75 68 N ATOM 1712 CA GLY B 94 -13.833 -29.654 21.091 1.00 47.40 C ANISOU 1712 CA GLY B 94 5971 6094 5944 -29 105 128 C ATOM 1713 C GLY B 94 -14.510 -28.383 20.628 1.00 47.49 C ANISOU 1713 C GLY B 94 5974 6099 5968 -68 90 105 C ATOM 1714 O GLY B 94 -15.734 -28.359 20.467 1.00 47.75 O ANISOU 1714 O GLY B 94 5936 6250 5954 -141 22 146 O ATOM 0 H GLY B 94 -11.945 -30.169 20.844 1.00 47.27 H new ATOM 0 HA2 GLY B 94 -14.000 -30.334 20.420 1.00 47.40 H new ATOM 0 HA3 GLY B 94 -14.279 -29.942 21.903 1.00 47.40 H new ATOM 1715 N GLN B 95 -13.726 -27.329 20.415 1.00 46.32 N ANISOU 1715 N GLN B 95 5797 6026 5773 -74 156 124 N ATOM 1716 CA GLN B 95 -14.272 -26.019 20.098 1.00 45.53 C ANISOU 1716 CA GLN B 95 5763 5938 5596 -48 171 118 C ATOM 1717 C GLN B 95 -13.942 -25.645 18.651 1.00 43.98 C ANISOU 1717 C GLN B 95 5499 5744 5466 -68 118 162 C ATOM 1718 O GLN B 95 -12.777 -25.511 18.295 1.00 44.68 O ANISOU 1718 O GLN B 95 5642 5864 5468 -60 239 228 O ATOM 1719 CB GLN B 95 -13.768 -24.953 21.090 1.00 46.13 C ANISOU 1719 CB GLN B 95 5786 6021 5717 -56 134 89 C ATOM 1720 CG GLN B 95 -14.405 -25.058 22.512 1.00 47.86 C ANISOU 1720 CG GLN B 95 6210 6147 5826 -27 106 37 C ATOM 1721 CD GLN B 95 -14.197 -23.814 23.378 1.00 49.63 C ANISOU 1721 CD GLN B 95 6385 6411 6061 33 73 -46 C ATOM 1722 OE1 GLN B 95 -13.429 -23.837 24.346 1.00 52.29 O ANISOU 1722 OE1 GLN B 95 6652 6827 6386 81 -13 83 O ATOM 1723 NE2 GLN B 95 -14.900 -22.726 23.044 1.00 50.34 N ANISOU 1723 NE2 GLN B 95 6625 6462 6037 84 18 -19 N ATOM 0 H GLN B 95 -12.867 -27.356 20.451 1.00 46.32 H new ATOM 0 HA GLN B 95 -15.237 -26.056 20.186 1.00 45.53 H new ATOM 0 HB2 GLN B 95 -12.804 -25.029 21.171 1.00 46.13 H new ATOM 0 HB3 GLN B 95 -13.953 -24.073 20.727 1.00 46.13 H new ATOM 0 HG2 GLN B 95 -15.357 -25.221 22.419 1.00 47.86 H new ATOM 0 HG3 GLN B 95 -14.029 -25.826 22.969 1.00 47.86 H new ATOM 0 HE21 GLN B 95 -15.425 -22.746 22.363 1.00 50.34 H new ATOM 0 HE22 GLN B 95 -14.827 -22.007 23.510 1.00 50.34 H new ATOM 1724 N PRO B 96 -14.972 -25.523 17.803 1.00 41.99 N ANISOU 1724 N PRO B 96 5256 5504 5192 -98 203 174 N ATOM 1725 CA PRO B 96 -14.699 -25.020 16.473 1.00 39.96 C ANISOU 1725 CA PRO B 96 5023 5195 4964 -151 203 160 C ATOM 1726 C PRO B 96 -13.943 -23.706 16.568 1.00 38.17 C ANISOU 1726 C PRO B 96 4834 5025 4641 -226 369 92 C ATOM 1727 O PRO B 96 -14.267 -22.848 17.377 1.00 38.99 O ANISOU 1727 O PRO B 96 5007 5105 4699 -247 517 111 O ATOM 1728 CB PRO B 96 -16.095 -24.743 15.918 1.00 40.15 C ANISOU 1728 CB PRO B 96 4962 5274 5016 -166 153 168 C ATOM 1729 CG PRO B 96 -17.013 -24.737 17.164 1.00 41.17 C ANISOU 1729 CG PRO B 96 5079 5419 5145 -60 143 172 C ATOM 1730 CD PRO B 96 -16.406 -25.801 17.991 1.00 42.31 C ANISOU 1730 CD PRO B 96 5254 5521 5298 -62 169 207 C ATOM 0 HA PRO B 96 -14.171 -25.630 15.934 1.00 39.96 H new ATOM 0 HB2 PRO B 96 -16.127 -23.893 15.451 1.00 40.15 H new ATOM 0 HB3 PRO B 96 -16.365 -25.425 15.284 1.00 40.15 H new ATOM 0 HG2 PRO B 96 -17.009 -23.878 17.615 1.00 41.17 H new ATOM 0 HG3 PRO B 96 -17.935 -24.934 16.937 1.00 41.17 H new ATOM 0 HD2 PRO B 96 -16.673 -25.739 18.922 1.00 42.31 H new ATOM 0 HD3 PRO B 96 -16.651 -26.688 17.684 1.00 42.31 H new ATOM 1731 N CYS B 97 -12.926 -23.537 15.729 1.00 35.63 N ANISOU 1731 N CYS B 97 4619 4646 4272 -335 419 135 N ATOM 1732 CA ACYS B 97 -12.331 -22.225 15.621 0.50 33.52 C ANISOU 1732 CA ACYS B 97 4279 4484 3969 -372 429 120 C ATOM 1733 CA BCYS B 97 -12.191 -22.287 15.634 0.50 33.72 C ANISOU 1733 CA BCYS B 97 4345 4540 3924 -379 424 136 C ATOM 1734 C CYS B 97 -12.014 -21.985 14.171 1.00 31.71 C ANISOU 1734 C CYS B 97 4113 4235 3701 -447 466 32 C ATOM 1735 O CYS B 97 -12.170 -22.872 13.348 1.00 30.55 O ANISOU 1735 O CYS B 97 3800 4274 3531 -640 609 69 O ATOM 1736 CB ACYS B 97 -11.103 -22.083 16.524 0.50 33.98 C ANISOU 1736 CB ACYS B 97 4409 4440 4060 -293 334 96 C ATOM 1737 CB BCYS B 97 -10.808 -22.435 16.251 0.50 34.43 C ANISOU 1737 CB BCYS B 97 4452 4573 4055 -280 366 166 C ATOM 1738 SG ACYS B 97 -9.939 -23.451 16.429 0.50 38.27 S ANISOU 1738 SG ACYS B 97 4714 4930 4896 -79 483 205 S ATOM 1739 SG BCYS B 97 -10.781 -22.792 17.992 0.50 38.31 S ANISOU 1739 SG BCYS B 97 5126 5305 4124 -183 547 226 S ATOM 0 H ACYS B 97 -12.580 -24.148 15.233 0.50 35.63 H new ATOM 0 H BCYS B 97 -12.643 -24.150 15.196 0.50 35.63 H new ATOM 0 HA ACYS B 97 -12.952 -21.547 15.931 0.50 33.72 H new ATOM 0 HA BCYS B 97 -12.674 -21.586 16.099 0.50 33.72 H new ATOM 0 HB2ACYS B 97 -10.639 -21.263 16.292 0.50 34.43 H new ATOM 0 HB2BCYS B 97 -10.337 -23.143 15.784 0.50 34.43 H new ATOM 0 HB3ACYS B 97 -11.401 -21.991 17.443 0.50 34.43 H new ATOM 0 HB3BCYS B 97 -10.313 -21.615 16.097 0.50 34.43 H new ATOM 0 HG ACYS B 97 -9.016 -23.244 17.168 0.50 38.31 H new ATOM 0 HG BCYS B 97 -11.483 -23.739 18.218 0.50 38.31 H new ATOM 1740 N ALA B 98 -11.659 -20.747 13.869 1.00 27.54 N ANISOU 1740 N ALA B 98 3342 3907 3215 -643 566 66 N ATOM 1741 CA ALA B 98 -11.270 -20.428 12.490 1.00 24.85 C ANISOU 1741 CA ALA B 98 3121 3477 2841 -645 548 -182 C ATOM 1742 C ALA B 98 -10.066 -19.552 12.561 1.00 23.39 C ANISOU 1742 C ALA B 98 2723 3374 2788 -568 533 -213 C ATOM 1743 O ALA B 98 -9.976 -18.704 13.425 1.00 25.02 O ANISOU 1743 O ALA B 98 2995 3621 2887 -620 894 -325 O ATOM 1744 CB ALA B 98 -12.343 -19.624 11.801 1.00 25.21 C ANISOU 1744 CB ALA B 98 2893 3726 2957 -659 423 -127 C ATOM 0 H ALA B 98 -11.634 -20.090 14.423 1.00 27.54 H new ATOM 0 HA ALA B 98 -11.115 -21.254 12.006 1.00 24.85 H new ATOM 0 HB1 ALA B 98 -12.066 -19.425 10.893 1.00 25.21 H new ATOM 0 HB2 ALA B 98 -13.168 -20.134 11.782 1.00 25.21 H new ATOM 0 HB3 ALA B 98 -12.487 -18.795 12.284 1.00 25.21 H new ATOM 1745 N LEU B 99 -9.202 -19.674 11.565 1.00 20.54 N ANISOU 1745 N LEU B 99 2434 2766 2601 -599 536 -111 N ATOM 1746 CA LEU B 99 -8.006 -18.847 11.473 1.00 18.99 C ANISOU 1746 CA LEU B 99 2069 2653 2493 -356 390 46 C ATOM 1747 C LEU B 99 -7.979 -18.221 10.088 1.00 16.76 C ANISOU 1747 C LEU B 99 1728 2461 2177 -335 368 -72 C ATOM 1748 O LEU B 99 -8.081 -18.929 9.106 1.00 18.24 O ANISOU 1748 O LEU B 99 2001 2477 2450 -393 279 -139 O ATOM 1749 CB LEU B 99 -6.793 -19.751 11.621 1.00 20.54 C ANISOU 1749 CB LEU B 99 2431 2617 2753 -273 247 190 C ATOM 1750 CG LEU B 99 -5.479 -18.975 11.589 1.00 21.31 C ANISOU 1750 CG LEU B 99 2194 2890 3011 -148 317 35 C ATOM 1751 CD1 LEU B 99 -5.354 -17.992 12.745 1.00 25.34 C ANISOU 1751 CD1 LEU B 99 2782 3274 3573 -347 -90 -184 C ATOM 1752 CD2 LEU B 99 -4.367 -20.040 11.603 1.00 22.66 C ANISOU 1752 CD2 LEU B 99 2201 3106 3300 141 114 3 C ATOM 0 H LEU B 99 -9.291 -20.238 10.922 1.00 20.54 H new ATOM 0 HA LEU B 99 -8.001 -18.161 12.159 1.00 18.99 H new ATOM 0 HB2 LEU B 99 -6.857 -20.239 12.457 1.00 20.54 H new ATOM 0 HB3 LEU B 99 -6.794 -20.409 10.908 1.00 20.54 H new ATOM 0 HG LEU B 99 -5.422 -18.418 10.797 1.00 21.31 H new ATOM 0 HD11 LEU B 99 -4.506 -17.524 12.682 1.00 25.34 H new ATOM 0 HD12 LEU B 99 -6.080 -17.350 12.704 1.00 25.34 H new ATOM 0 HD13 LEU B 99 -5.395 -18.474 13.586 1.00 25.34 H new ATOM 0 HD21 LEU B 99 -3.501 -19.604 11.584 1.00 22.66 H new ATOM 0 HD22 LEU B 99 -4.441 -20.575 12.409 1.00 22.66 H new ATOM 0 HD23 LEU B 99 -4.457 -20.613 10.825 1.00 22.66 H new ATOM 1753 N ASP B 100 -7.789 -16.884 10.050 1.00 16.86 N ANISOU 1753 N ASP B 100 1821 2336 2250 -81 313 -20 N ATOM 1754 CA ASP B 100 -7.631 -16.179 8.809 1.00 15.97 C ANISOU 1754 CA ASP B 100 1368 2472 2225 -96 312 24 C ATOM 1755 C ASP B 100 -6.131 -16.023 8.493 1.00 15.04 C ANISOU 1755 C ASP B 100 1295 2351 2068 -211 122 -133 C ATOM 1756 O ASP B 100 -5.399 -15.528 9.335 1.00 18.11 O ANISOU 1756 O ASP B 100 2161 2570 2147 -396 177 -214 O ATOM 1757 CB ASP B 100 -8.238 -14.792 8.910 1.00 17.57 C ANISOU 1757 CB ASP B 100 1481 2532 2663 -303 252 -14 C ATOM 1758 CG ASP B 100 -9.743 -14.872 9.079 1.00 21.50 C ANISOU 1758 CG ASP B 100 2129 3177 2863 -105 301 -43 C ATOM 1759 OD1 ASP B 100 -10.421 -15.653 8.294 1.00 23.47 O ANISOU 1759 OD1 ASP B 100 1435 3789 3692 -201 449 -492 O ATOM 1760 OD2 ASP B 100 -10.274 -14.209 10.002 1.00 25.35 O ANISOU 1760 OD2 ASP B 100 2205 3897 3526 248 622 -639 O ATOM 0 H ASP B 100 -7.752 -16.385 10.749 1.00 16.86 H new ATOM 0 HA ASP B 100 -8.077 -16.684 8.111 1.00 15.97 H new ATOM 0 HB2 ASP B 100 -7.849 -14.318 9.662 1.00 17.57 H new ATOM 0 HB3 ASP B 100 -8.025 -14.282 8.113 1.00 17.57 H new ATOM 1761 N VAL B 101 -5.755 -16.418 7.287 1.00 14.36 N ANISOU 1761 N VAL B 101 1281 2202 1971 -136 222 -83 N ATOM 1762 CA VAL B 101 -4.290 -16.460 6.981 1.00 14.48 C ANISOU 1762 CA VAL B 101 1369 1996 2134 -32 401 -91 C ATOM 1763 C VAL B 101 -4.079 -15.866 5.627 1.00 13.34 C ANISOU 1763 C VAL B 101 1191 2121 1754 128 61 -39 C ATOM 1764 O VAL B 101 -4.976 -15.935 4.750 1.00 14.73 O ANISOU 1764 O VAL B 101 1357 2222 2015 -121 84 -203 O ATOM 1765 CB VAL B 101 -3.835 -17.989 6.916 1.00 16.74 C ANISOU 1765 CB VAL B 101 1579 2489 2291 324 246 9 C ATOM 1766 CG1 VAL B 101 -2.380 -18.093 6.667 1.00 16.80 C ANISOU 1766 CG1 VAL B 101 1251 2626 2507 360 328 -18 C ATOM 1767 CG2 VAL B 101 -4.171 -18.726 8.216 1.00 18.11 C ANISOU 1767 CG2 VAL B 101 1880 2672 2327 -48 351 29 C ATOM 0 H VAL B 101 -6.281 -16.657 6.650 1.00 14.36 H new ATOM 0 HA VAL B 101 -3.788 -15.977 7.656 1.00 14.48 H new ATOM 0 HB VAL B 101 -4.321 -18.401 6.184 1.00 16.74 H new ATOM 0 HG11 VAL B 101 -2.124 -19.028 6.631 1.00 16.80 H new ATOM 0 HG12 VAL B 101 -2.165 -17.666 5.823 1.00 16.80 H new ATOM 0 HG13 VAL B 101 -1.897 -17.653 7.384 1.00 16.80 H new ATOM 0 HG21 VAL B 101 -3.884 -19.650 8.148 1.00 18.11 H new ATOM 0 HG22 VAL B 101 -3.713 -18.300 8.957 1.00 18.11 H new ATOM 0 HG23 VAL B 101 -5.129 -18.696 8.367 1.00 18.11 H new ATOM 1768 N ILE B 102 -2.886 -15.319 5.381 1.00 13.89 N ANISOU 1768 N ILE B 102 1089 2125 2065 -151 342 -52 N ATOM 1769 CA ILE B 102 -2.444 -15.055 3.998 1.00 12.98 C ANISOU 1769 CA ILE B 102 985 1989 1956 44 126 -160 C ATOM 1770 C ILE B 102 -1.120 -15.798 3.800 1.00 12.88 C ANISOU 1770 C ILE B 102 903 2157 1833 189 -39 -120 C ATOM 1771 O ILE B 102 -0.237 -15.672 4.639 1.00 13.90 O ANISOU 1771 O ILE B 102 1022 2346 1912 -38 -307 -162 O ATOM 1772 CB ILE B 102 -2.220 -13.520 3.773 1.00 12.35 C ANISOU 1772 CB ILE B 102 685 1993 2011 -101 -117 -172 C ATOM 1773 CG1 ILE B 102 -3.579 -12.868 3.620 1.00 13.54 C ANISOU 1773 CG1 ILE B 102 607 1914 2623 -79 -205 -121 C ATOM 1774 CG2 ILE B 102 -1.369 -13.296 2.554 1.00 14.03 C ANISOU 1774 CG2 ILE B 102 1290 2018 2021 -147 97 -199 C ATOM 1775 CD1 ILE B 102 -3.544 -11.380 3.564 1.00 16.21 C ANISOU 1775 CD1 ILE B 102 1402 1992 2764 17 86 -196 C ATOM 0 H ILE B 102 -2.321 -15.094 5.989 1.00 13.89 H new ATOM 0 HA ILE B 102 -3.117 -15.354 3.367 1.00 12.98 H new ATOM 0 HB ILE B 102 -1.754 -13.127 4.528 1.00 12.35 H new ATOM 0 HG12 ILE B 102 -3.996 -13.202 2.810 1.00 13.54 H new ATOM 0 HG13 ILE B 102 -4.142 -13.140 4.362 1.00 13.54 H new ATOM 0 HG21 ILE B 102 -1.236 -12.344 2.423 1.00 14.03 H new ATOM 0 HG22 ILE B 102 -0.509 -13.729 2.675 1.00 14.03 H new ATOM 0 HG23 ILE B 102 -1.812 -13.670 1.777 1.00 14.03 H new ATOM 0 HD11 ILE B 102 -4.447 -11.038 3.466 1.00 16.21 H new ATOM 0 HD12 ILE B 102 -3.155 -11.034 4.383 1.00 16.21 H new ATOM 0 HD13 ILE B 102 -3.008 -11.097 2.807 1.00 16.21 H new ATOM 1776 N ASP B 103 -1.064 -16.602 2.757 1.00 12.92 N ANISOU 1776 N ASP B 103 789 2152 1964 63 43 -237 N ATOM 1777 CA ASP B 103 0.185 -17.239 2.429 1.00 13.15 C ANISOU 1777 CA ASP B 103 828 2159 2008 223 89 -194 C ATOM 1778 C ASP B 103 0.768 -16.542 1.227 1.00 14.80 C ANISOU 1778 C ASP B 103 1353 2286 1981 97 -69 -240 C ATOM 1779 O ASP B 103 0.041 -16.228 0.250 1.00 14.58 O ANISOU 1779 O ASP B 103 1005 2643 1890 49 -237 -46 O ATOM 1780 CB ASP B 103 -0.106 -18.708 1.962 1.00 15.81 C ANISOU 1780 CB ASP B 103 1569 2194 2244 393 234 -202 C ATOM 1781 CG ASP B 103 -0.267 -19.673 3.097 1.00 18.16 C ANISOU 1781 CG ASP B 103 1743 2612 2542 180 261 -229 C ATOM 1782 OD1 ASP B 103 -0.156 -19.288 4.250 1.00 19.55 O ANISOU 1782 OD1 ASP B 103 2006 2745 2677 39 -57 -56 O ATOM 1783 OD2 ASP B 103 -0.528 -20.872 2.818 1.00 18.66 O ANISOU 1783 OD2 ASP B 103 1758 2489 2843 69 2 -190 O ATOM 0 H ASP B 103 -1.724 -16.788 2.238 1.00 12.92 H new ATOM 0 HA ASP B 103 0.775 -17.211 3.198 1.00 13.15 H new ATOM 0 HB2 ASP B 103 -0.913 -18.715 1.423 1.00 15.81 H new ATOM 0 HB3 ASP B 103 0.619 -19.008 1.391 1.00 15.81 H new ATOM 1784 N VAL B 104 2.104 -16.381 1.274 1.00 14.52 N ANISOU 1784 N VAL B 104 1218 2132 2166 93 -119 -61 N ATOM 1785 CA VAL B 104 2.869 -15.964 0.126 1.00 13.88 C ANISOU 1785 CA VAL B 104 993 2178 2101 6 -206 -212 C ATOM 1786 C VAL B 104 3.751 -17.135 -0.287 1.00 14.26 C ANISOU 1786 C VAL B 104 1172 2279 1966 119 -40 -6 C ATOM 1787 O VAL B 104 4.430 -17.688 0.556 1.00 15.94 O ANISOU 1787 O VAL B 104 1259 2539 2255 284 -414 32 O ATOM 1788 CB VAL B 104 3.708 -14.717 0.468 1.00 15.73 C ANISOU 1788 CB VAL B 104 1012 2382 2579 70 -214 -235 C ATOM 1789 CG1 VAL B 104 4.617 -14.294 -0.697 1.00 19.67 C ANISOU 1789 CG1 VAL B 104 2090 2547 2835 -139 497 145 C ATOM 1790 CG2 VAL B 104 2.756 -13.576 0.863 1.00 17.18 C ANISOU 1790 CG2 VAL B 104 1035 2232 3260 -63 109 -210 C ATOM 0 H VAL B 104 2.575 -16.515 1.981 1.00 14.52 H new ATOM 0 HA VAL B 104 2.286 -15.719 -0.609 1.00 13.88 H new ATOM 0 HB VAL B 104 4.295 -14.931 1.210 1.00 15.73 H new ATOM 0 HG11 VAL B 104 5.126 -13.509 -0.442 1.00 19.67 H new ATOM 0 HG12 VAL B 104 5.226 -15.018 -0.912 1.00 19.67 H new ATOM 0 HG13 VAL B 104 4.073 -14.088 -1.474 1.00 19.67 H new ATOM 0 HG21 VAL B 104 3.272 -12.784 1.081 1.00 17.18 H new ATOM 0 HG22 VAL B 104 2.161 -13.380 0.122 1.00 17.18 H new ATOM 0 HG23 VAL B 104 2.233 -13.843 1.635 1.00 17.18 H new ATOM 1791 N MET B 105 3.719 -17.471 -1.555 1.00 14.28 N ANISOU 1791 N MET B 105 1065 2141 2216 153 103 -108 N ATOM 1792 CA AMET B 105 4.548 -18.590 -2.027 0.70 14.21 C ANISOU 1792 CA AMET B 105 1159 2140 2099 149 159 -105 C ATOM 1793 CA BMET B 105 4.499 -18.610 -2.098 0.30 15.25 C ANISOU 1793 CA BMET B 105 1333 2221 2241 150 146 -75 C ATOM 1794 C MET B 105 5.416 -18.144 -3.183 1.00 15.89 C ANISOU 1794 C MET B 105 1568 2143 2324 132 193 -8 C ATOM 1795 O MET B 105 5.000 -17.360 -4.031 1.00 16.82 O ANISOU 1795 O MET B 105 1391 2543 2454 445 251 103 O ATOM 1796 CB AMET B 105 3.682 -19.765 -2.526 0.70 15.37 C ANISOU 1796 CB AMET B 105 1342 2138 2357 71 230 -69 C ATOM 1797 CB BMET B 105 3.605 -19.644 -2.805 0.30 16.26 C ANISOU 1797 CB BMET B 105 1503 2239 2433 70 118 -139 C ATOM 1798 CG AMET B 105 3.024 -20.520 -1.390 0.70 16.22 C ANISOU 1798 CG AMET B 105 598 2694 2871 127 109 37 C ATOM 1799 CG BMET B 105 3.164 -20.793 -1.952 0.30 18.87 C ANISOU 1799 CG BMET B 105 1867 2671 2628 56 51 -67 C ATOM 1800 SD AMET B 105 1.727 -21.615 -2.016 0.70 18.69 S ANISOU 1800 SD AMET B 105 2136 2387 2574 -154 -315 -128 S ATOM 1801 SD BMET B 105 1.876 -20.138 -0.888 0.30 16.55 S ANISOU 1801 SD BMET B 105 1557 2261 2469 196 -206 -110 S ATOM 1802 CE AMET B 105 1.210 -22.308 -0.411 0.70 18.74 C ANISOU 1802 CE AMET B 105 1857 2446 2816 -60 -96 -69 C ATOM 1803 CE BMET B 105 1.019 -21.647 -0.411 0.30 19.54 C ANISOU 1803 CE BMET B 105 2037 2114 3272 -218 -89 -226 C ATOM 0 H AMET B 105 3.242 -17.085 -2.157 0.70 14.28 H new ATOM 0 H BMET B 105 3.249 -17.057 -2.144 0.30 14.28 H new ATOM 0 HA AMET B 105 5.089 -18.878 -1.275 0.70 15.25 H new ATOM 0 HA BMET B 105 4.959 -18.990 -1.334 0.30 15.25 H new ATOM 0 HB2AMET B 105 2.998 -19.428 -3.126 0.70 16.26 H new ATOM 0 HB2BMET B 105 2.818 -19.191 -3.145 0.30 16.26 H new ATOM 0 HB3AMET B 105 4.234 -20.375 -3.040 0.70 16.26 H new ATOM 0 HB3BMET B 105 4.084 -19.994 -3.572 0.30 16.26 H new ATOM 0 HG2AMET B 105 3.690 -21.039 -0.913 0.70 18.87 H new ATOM 0 HG2BMET B 105 2.829 -21.523 -2.496 0.30 18.87 H new ATOM 0 HG3AMET B 105 2.645 -19.892 -0.755 0.70 18.87 H new ATOM 0 HG3BMET B 105 3.903 -21.144 -1.430 0.30 18.87 H new ATOM 0 HE1AMET B 105 0.242 -22.362 -0.378 0.70 19.54 H new ATOM 0 HE1BMET B 105 0.494 -21.482 0.388 0.30 19.54 H new ATOM 0 HE2AMET B 105 1.587 -23.195 -0.305 0.70 19.54 H new ATOM 0 HE2BMET B 105 0.433 -21.928 -1.131 0.30 19.54 H new ATOM 0 HE3AMET B 105 1.525 -21.735 0.306 0.70 19.54 H new ATOM 0 HE3BMET B 105 1.668 -22.345 -0.232 0.30 19.54 H new ATOM 1804 N ARG B 106 6.628 -18.704 -3.206 1.00 16.45 N ANISOU 1804 N ARG B 106 1281 2349 2619 177 258 -10 N ATOM 1805 CA ARG B 106 7.524 -18.531 -4.336 1.00 18.65 C ANISOU 1805 CA ARG B 106 1872 2422 2791 126 292 72 C ATOM 1806 C ARG B 106 7.728 -19.880 -4.938 1.00 17.47 C ANISOU 1806 C ARG B 106 1372 2541 2722 167 580 131 C ATOM 1807 O ARG B 106 8.082 -20.840 -4.197 1.00 18.08 O ANISOU 1807 O ARG B 106 1515 2377 2976 518 494 314 O ATOM 1808 CB ARG B 106 8.870 -17.944 -3.904 1.00 22.10 C ANISOU 1808 CB ARG B 106 2085 2871 3441 6 128 85 C ATOM 1809 CG ARG B 106 9.757 -17.877 -5.094 1.00 27.08 C ANISOU 1809 CG ARG B 106 3092 3625 3571 -174 162 182 C ATOM 1810 CD ARG B 106 11.114 -17.173 -4.762 1.00 35.13 C ANISOU 1810 CD ARG B 106 3795 4479 5070 -335 120 -110 C ATOM 1811 NE ARG B 106 11.264 -15.904 -5.481 1.00 42.08 N ANISOU 1811 NE ARG B 106 5203 5072 5711 -75 72 179 N ATOM 1812 CZ ARG B 106 12.440 -15.334 -5.771 1.00 45.19 C ANISOU 1812 CZ ARG B 106 5474 5662 6032 -104 -41 130 C ATOM 1813 NH1 ARG B 106 13.576 -15.910 -5.397 1.00 46.74 N ANISOU 1813 NH1 ARG B 106 5648 5880 6228 34 -44 51 N ATOM 1814 NH2 ARG B 106 12.488 -14.182 -6.431 1.00 46.34 N ANISOU 1814 NH2 ARG B 106 5705 5794 6107 -169 -25 97 N ATOM 0 H ARG B 106 6.946 -19.189 -2.571 1.00 16.45 H new ATOM 0 HA ARG B 106 7.137 -17.910 -4.973 1.00 18.65 H new ATOM 0 HB2 ARG B 106 8.746 -17.060 -3.525 1.00 22.10 H new ATOM 0 HB3 ARG B 106 9.272 -18.494 -3.214 1.00 22.10 H new ATOM 0 HG2 ARG B 106 9.929 -18.774 -5.421 1.00 27.08 H new ATOM 0 HG3 ARG B 106 9.308 -17.396 -5.807 1.00 27.08 H new ATOM 0 HD2 ARG B 106 11.169 -17.011 -3.807 1.00 35.13 H new ATOM 0 HD3 ARG B 106 11.849 -17.763 -4.992 1.00 35.13 H new ATOM 0 HE ARG B 106 10.549 -15.499 -5.733 1.00 42.08 H new ATOM 0 HH11 ARG B 106 13.559 -16.654 -4.966 1.00 46.74 H new ATOM 0 HH12 ARG B 106 14.329 -15.539 -5.586 1.00 46.74 H new ATOM 0 HH21 ARG B 106 11.760 -13.796 -6.676 1.00 46.34 H new ATOM 0 HH22 ARG B 106 13.248 -13.822 -6.613 1.00 46.34 H new ATOM 1815 N PHE B 107 7.438 -19.986 -6.236 1.00 19.38 N ANISOU 1815 N PHE B 107 1777 2675 2908 353 635 147 N ATOM 1816 CA PHE B 107 7.577 -21.283 -6.943 1.00 20.71 C ANISOU 1816 CA PHE B 107 2200 2816 2851 253 637 27 C ATOM 1817 C PHE B 107 8.901 -21.329 -7.654 1.00 23.19 C ANISOU 1817 C PHE B 107 2546 2866 3398 312 741 139 C ATOM 1818 O PHE B 107 9.434 -20.286 -8.011 1.00 26.03 O ANISOU 1818 O PHE B 107 2828 3182 3878 279 1067 173 O ATOM 1819 CB PHE B 107 6.450 -21.439 -7.945 1.00 20.23 C ANISOU 1819 CB PHE B 107 2293 2748 2643 287 476 173 C ATOM 1820 CG PHE B 107 5.098 -21.659 -7.257 1.00 19.05 C ANISOU 1820 CG PHE B 107 2314 2636 2286 394 279 17 C ATOM 1821 CD1 PHE B 107 4.349 -20.567 -6.857 1.00 20.28 C ANISOU 1821 CD1 PHE B 107 2591 2773 2338 385 118 -206 C ATOM 1822 CD2 PHE B 107 4.619 -22.923 -6.984 1.00 19.25 C ANISOU 1822 CD2 PHE B 107 1850 2980 2484 357 -224 275 C ATOM 1823 CE1 PHE B 107 3.160 -20.772 -6.168 1.00 19.68 C ANISOU 1823 CE1 PHE B 107 2235 3015 2227 406 -155 -123 C ATOM 1824 CE2 PHE B 107 3.445 -23.131 -6.322 1.00 20.97 C ANISOU 1824 CE2 PHE B 107 2331 3034 2603 357 7 -51 C ATOM 1825 CZ PHE B 107 2.681 -22.033 -5.946 1.00 21.98 C ANISOU 1825 CZ PHE B 107 2757 3291 2302 391 -48 19 C ATOM 0 H PHE B 107 7.163 -19.335 -6.727 1.00 19.38 H new ATOM 0 HA PHE B 107 7.534 -22.008 -6.300 1.00 20.71 H new ATOM 0 HB2 PHE B 107 6.403 -20.647 -8.504 1.00 20.23 H new ATOM 0 HB3 PHE B 107 6.640 -22.189 -8.531 1.00 20.23 H new ATOM 0 HD1 PHE B 107 4.638 -19.704 -7.047 1.00 20.28 H new ATOM 0 HD2 PHE B 107 5.114 -23.660 -7.261 1.00 19.25 H new ATOM 0 HE1 PHE B 107 2.682 -20.039 -5.853 1.00 19.68 H new ATOM 0 HE2 PHE B 107 3.160 -23.994 -6.125 1.00 20.97 H new ATOM 0 HZ PHE B 107 1.850 -22.155 -5.546 1.00 21.98 H new ATOM 1826 N ASP B 108 9.437 -22.538 -7.828 1.00 24.75 N ANISOU 1826 N ASP B 108 2744 3198 3462 384 914 147 N ATOM 1827 CA ASP B 108 10.674 -22.710 -8.646 1.00 27.44 C ANISOU 1827 CA ASP B 108 2832 3851 3742 396 704 99 C ATOM 1828 C ASP B 108 10.338 -23.041 -10.078 1.00 28.91 C ANISOU 1828 C ASP B 108 3117 4173 3693 240 727 201 C ATOM 1829 O ASP B 108 9.220 -23.048 -10.476 1.00 28.68 O ANISOU 1829 O ASP B 108 3278 4149 3468 555 865 348 O ATOM 1830 CB ASP B 108 11.565 -23.786 -8.010 1.00 27.94 C ANISOU 1830 CB ASP B 108 2943 3710 3961 507 512 109 C ATOM 1831 CG ASP B 108 10.960 -25.177 -8.063 1.00 29.02 C ANISOU 1831 CG ASP B 108 2960 4120 3945 302 315 78 C ATOM 1832 OD1 ASP B 108 10.055 -25.429 -8.880 1.00 26.07 O ANISOU 1832 OD1 ASP B 108 2457 3917 3531 552 769 -278 O ATOM 1833 OD2 ASP B 108 11.400 -26.040 -7.266 1.00 32.28 O ANISOU 1833 OD2 ASP B 108 3595 4194 4476 399 515 331 O ATOM 0 H ASP B 108 9.119 -23.264 -7.495 1.00 24.75 H new ATOM 0 HA ASP B 108 11.164 -21.873 -8.659 1.00 27.44 H new ATOM 0 HB2 ASP B 108 12.423 -23.796 -8.463 1.00 27.94 H new ATOM 0 HB3 ASP B 108 11.736 -23.550 -7.085 1.00 27.94 H new ATOM 1834 N GLU B 109 11.353 -23.347 -10.894 1.00 31.81 N ANISOU 1834 N GLU B 109 3666 4481 3939 327 775 68 N ATOM 1835 CA GLU B 109 11.148 -23.534 -12.311 1.00 35.03 C ANISOU 1835 CA GLU B 109 4394 4690 4225 107 504 64 C ATOM 1836 C GLU B 109 10.495 -24.849 -12.704 1.00 36.13 C ANISOU 1836 C GLU B 109 4699 4855 4171 95 447 -60 C ATOM 1837 O GLU B 109 10.525 -25.185 -13.871 1.00 39.54 O ANISOU 1837 O GLU B 109 5325 5284 4415 12 241 -9 O ATOM 1838 CB GLU B 109 12.512 -23.455 -13.010 1.00 36.03 C ANISOU 1838 CB GLU B 109 4476 4918 4293 163 474 54 C ATOM 1839 CG GLU B 109 13.397 -24.669 -12.712 1.00 39.19 C ANISOU 1839 CG GLU B 109 4894 5075 4919 269 524 58 C ATOM 1840 CD GLU B 109 14.080 -24.656 -11.347 1.00 46.94 C ANISOU 1840 CD GLU B 109 5918 6108 5805 102 79 -68 C ATOM 1841 OE1 GLU B 109 13.914 -23.690 -10.563 1.00 51.67 O ANISOU 1841 OE1 GLU B 109 6555 6353 6725 -15 189 -143 O ATOM 1842 OE2 GLU B 109 14.812 -25.633 -11.043 1.00 51.24 O ANISOU 1842 OE2 GLU B 109 6635 6302 6529 165 -2 -13 O ATOM 0 H GLU B 109 12.167 -23.449 -10.634 1.00 31.81 H new ATOM 0 HA GLU B 109 10.534 -22.835 -12.584 1.00 35.03 H new ATOM 0 HB2 GLU B 109 12.377 -23.385 -13.968 1.00 36.03 H new ATOM 0 HB3 GLU B 109 12.970 -22.648 -12.728 1.00 36.03 H new ATOM 0 HG2 GLU B 109 12.855 -25.471 -12.779 1.00 39.19 H new ATOM 0 HG3 GLU B 109 14.079 -24.730 -13.399 1.00 39.19 H new ATOM 1843 N HIS B 110 10.096 -25.668 -11.726 1.00 34.64 N ANISOU 1843 N HIS B 110 4684 4574 3903 145 606 -119 N ATOM 1844 CA HIS B 110 9.307 -26.865 -11.948 1.00 34.51 C ANISOU 1844 CA HIS B 110 4630 4616 3865 103 343 -110 C ATOM 1845 C HIS B 110 7.891 -26.755 -11.414 1.00 33.03 C ANISOU 1845 C HIS B 110 4601 4324 3624 89 242 -38 C ATOM 1846 O HIS B 110 7.109 -27.720 -11.440 1.00 34.75 O ANISOU 1846 O HIS B 110 4942 4573 3689 -32 288 -171 O ATOM 1847 CB HIS B 110 10.022 -28.040 -11.289 1.00 35.83 C ANISOU 1847 CB HIS B 110 4827 4719 4066 53 357 37 C ATOM 1848 CG HIS B 110 11.401 -28.256 -11.823 1.00 39.20 C ANISOU 1848 CG HIS B 110 4879 5135 4879 116 97 -128 C ATOM 1849 ND1 HIS B 110 12.531 -28.138 -11.043 1.00 41.89 N ANISOU 1849 ND1 HIS B 110 4964 5624 5327 189 7 -141 N ATOM 1850 CD2 HIS B 110 11.835 -28.511 -13.079 1.00 42.83 C ANISOU 1850 CD2 HIS B 110 5337 5653 5282 57 206 -79 C ATOM 1851 CE1 HIS B 110 13.601 -28.350 -11.789 1.00 44.12 C ANISOU 1851 CE1 HIS B 110 5487 5930 5347 177 181 -111 C ATOM 1852 NE2 HIS B 110 13.205 -28.580 -13.026 1.00 45.40 N ANISOU 1852 NE2 HIS B 110 5491 6064 5691 132 -47 -143 N ATOM 0 H HIS B 110 10.285 -25.533 -10.898 1.00 34.64 H new ATOM 0 HA HIS B 110 9.226 -26.995 -12.906 1.00 34.51 H new ATOM 0 HB2 HIS B 110 10.071 -27.887 -10.332 1.00 35.83 H new ATOM 0 HB3 HIS B 110 9.499 -28.846 -11.421 1.00 35.83 H new ATOM 0 HD2 HIS B 110 11.305 -28.619 -13.836 1.00 42.83 H new ATOM 0 HE1 HIS B 110 14.482 -28.339 -11.493 1.00 44.12 H new ATOM 0 HE2 HIS B 110 13.722 -28.747 -13.693 1.00 45.40 H new ATOM 1853 N GLY B 111 7.536 -25.562 -10.971 1.00 29.71 N ANISOU 1853 N GLY B 111 4356 4024 2906 161 203 -39 N ATOM 1854 CA GLY B 111 6.202 -25.334 -10.471 1.00 28.08 C ANISOU 1854 CA GLY B 111 3855 3843 2968 127 -163 118 C ATOM 1855 C GLY B 111 6.080 -25.892 -9.067 1.00 24.38 C ANISOU 1855 C GLY B 111 3386 3366 2509 197 123 41 C ATOM 1856 O GLY B 111 5.006 -26.165 -8.648 1.00 26.13 O ANISOU 1856 O GLY B 111 3453 3563 2911 87 -168 167 O ATOM 0 H GLY B 111 8.053 -24.875 -10.953 1.00 29.71 H new ATOM 0 HA2 GLY B 111 6.006 -24.384 -10.469 1.00 28.08 H new ATOM 0 HA3 GLY B 111 5.552 -25.757 -11.054 1.00 28.08 H new ATOM 1857 N ARG B 112 7.186 -26.050 -8.329 1.00 22.05 N ANISOU 1857 N ARG B 112 2843 3031 2501 270 208 -211 N ATOM 1858 CA ARG B 112 7.072 -26.516 -6.906 1.00 20.57 C ANISOU 1858 CA ARG B 112 2600 2593 2622 436 218 -190 C ATOM 1859 C ARG B 112 7.333 -25.357 -5.962 1.00 18.05 C ANISOU 1859 C ARG B 112 1940 2451 2467 240 175 -103 C ATOM 1860 O ARG B 112 7.945 -24.379 -6.351 1.00 19.36 O ANISOU 1860 O ARG B 112 1934 2665 2755 252 586 64 O ATOM 1861 CB ARG B 112 8.096 -27.593 -6.664 1.00 21.52 C ANISOU 1861 CB ARG B 112 2755 2628 2791 467 16 -27 C ATOM 1862 CG ARG B 112 7.737 -28.864 -7.463 1.00 27.83 C ANISOU 1862 CG ARG B 112 3829 3359 3385 468 -16 -513 C ATOM 1863 CD ARG B 112 8.681 -30.009 -7.234 1.00 35.18 C ANISOU 1863 CD ARG B 112 4802 4009 4555 385 -134 43 C ATOM 1864 NE ARG B 112 8.356 -31.068 -8.200 1.00 40.17 N ANISOU 1864 NE ARG B 112 5417 4557 5288 19 -358 -61 N ATOM 1865 CZ ARG B 112 7.178 -31.689 -8.237 1.00 42.25 C ANISOU 1865 CZ ARG B 112 5279 5110 5661 8 31 -27 C ATOM 1866 NH1 ARG B 112 6.221 -31.346 -7.392 1.00 43.90 N ANISOU 1866 NH1 ARG B 112 6281 5281 5115 -135 204 -7 N ATOM 1867 NH2 ARG B 112 6.936 -32.638 -9.132 1.00 45.00 N ANISOU 1867 NH2 ARG B 112 5937 5618 5543 -54 -28 -74 N ATOM 0 H ARG B 112 7.987 -25.904 -8.605 1.00 22.05 H new ATOM 0 HA ARG B 112 6.179 -26.861 -6.748 1.00 20.57 H new ATOM 0 HB2 ARG B 112 8.975 -27.277 -6.925 1.00 21.52 H new ATOM 0 HB3 ARG B 112 8.139 -27.800 -5.717 1.00 21.52 H new ATOM 0 HG2 ARG B 112 6.839 -29.143 -7.225 1.00 27.83 H new ATOM 0 HG3 ARG B 112 7.726 -28.649 -8.409 1.00 27.83 H new ATOM 0 HD2 ARG B 112 9.600 -29.718 -7.346 1.00 35.18 H new ATOM 0 HD3 ARG B 112 8.597 -30.341 -6.326 1.00 35.18 H new ATOM 0 HE ARG B 112 8.957 -31.298 -8.770 1.00 40.17 H new ATOM 0 HH11 ARG B 112 6.358 -30.721 -6.817 1.00 43.90 H new ATOM 0 HH12 ARG B 112 5.461 -31.748 -7.417 1.00 43.90 H new ATOM 0 HH21 ARG B 112 7.544 -32.860 -9.699 1.00 45.00 H new ATOM 0 HH22 ARG B 112 6.171 -33.031 -9.146 1.00 45.00 H new ATOM 1868 N ILE B 113 6.700 -25.382 -4.788 1.00 15.93 N ANISOU 1868 N ILE B 113 1416 2415 2219 191 169 -211 N ATOM 1869 CA ILE B 113 6.884 -24.288 -3.831 1.00 16.10 C ANISOU 1869 CA ILE B 113 1078 2397 2641 237 263 -126 C ATOM 1870 C ILE B 113 8.278 -24.360 -3.253 1.00 16.70 C ANISOU 1870 C ILE B 113 1360 2123 2861 338 206 -47 C ATOM 1871 O ILE B 113 8.630 -25.338 -2.629 1.00 18.08 O ANISOU 1871 O ILE B 113 1689 2096 3083 126 -146 28 O ATOM 1872 CB ILE B 113 5.840 -24.432 -2.686 1.00 16.26 C ANISOU 1872 CB ILE B 113 1311 2387 2478 128 86 -335 C ATOM 1873 CG1 ILE B 113 4.389 -24.507 -3.217 1.00 16.21 C ANISOU 1873 CG1 ILE B 113 900 2890 2368 176 -42 -119 C ATOM 1874 CG2 ILE B 113 6.038 -23.312 -1.699 1.00 18.16 C ANISOU 1874 CG2 ILE B 113 2024 2102 2771 310 164 -80 C ATOM 1875 CD1 ILE B 113 3.411 -25.009 -2.156 1.00 18.42 C ANISOU 1875 CD1 ILE B 113 1594 2692 2711 157 400 -58 C ATOM 0 H ILE B 113 6.171 -26.009 -4.530 1.00 15.93 H new ATOM 0 HA ILE B 113 6.763 -23.436 -4.278 1.00 16.10 H new ATOM 0 HB ILE B 113 5.985 -25.277 -2.232 1.00 16.26 H new ATOM 0 HG12 ILE B 113 4.112 -23.628 -3.520 1.00 16.21 H new ATOM 0 HG13 ILE B 113 4.358 -25.096 -3.987 1.00 16.21 H new ATOM 0 HG21 ILE B 113 5.391 -23.395 -0.981 1.00 18.16 H new ATOM 0 HG22 ILE B 113 6.935 -23.359 -1.332 1.00 18.16 H new ATOM 0 HG23 ILE B 113 5.917 -22.460 -2.147 1.00 18.16 H new ATOM 0 HD11 ILE B 113 2.516 -25.041 -2.529 1.00 18.42 H new ATOM 0 HD12 ILE B 113 3.673 -25.898 -1.869 1.00 18.42 H new ATOM 0 HD13 ILE B 113 3.422 -24.408 -1.395 1.00 18.42 H new ATOM 1876 N GLN B 114 9.019 -23.292 -3.445 1.00 16.33 N ANISOU 1876 N GLN B 114 1371 2135 2696 223 -88 -40 N ATOM 1877 CA GLN B 114 10.345 -23.236 -2.914 1.00 18.20 C ANISOU 1877 CA GLN B 114 1065 2702 3145 -56 51 -28 C ATOM 1878 C GLN B 114 10.355 -22.592 -1.550 1.00 19.28 C ANISOU 1878 C GLN B 114 1800 2438 3088 138 -39 17 C ATOM 1879 O GLN B 114 11.091 -22.994 -0.644 1.00 19.46 O ANISOU 1879 O GLN B 114 1248 2754 3391 236 -186 -48 O ATOM 1880 CB GLN B 114 11.244 -22.431 -3.889 1.00 22.25 C ANISOU 1880 CB GLN B 114 1606 3238 3608 -89 269 -119 C ATOM 1881 CG GLN B 114 12.632 -22.308 -3.520 1.00 27.59 C ANISOU 1881 CG GLN B 114 2597 3625 4258 -136 5 97 C ATOM 1882 CD GLN B 114 13.327 -21.553 -4.624 1.00 36.65 C ANISOU 1882 CD GLN B 114 4303 4677 4944 -262 428 184 C ATOM 1883 OE1 GLN B 114 13.103 -20.354 -4.805 1.00 43.99 O ANISOU 1883 OE1 GLN B 114 5329 5432 5952 -14 250 37 O ATOM 1884 NE2 GLN B 114 14.069 -22.280 -5.456 1.00 42.02 N ANISOU 1884 NE2 GLN B 114 4986 5199 5781 -9 173 -128 N ATOM 0 H GLN B 114 8.769 -22.593 -3.880 1.00 16.33 H new ATOM 0 HA GLN B 114 10.685 -24.139 -2.819 1.00 18.20 H new ATOM 0 HB2 GLN B 114 11.197 -22.849 -4.763 1.00 22.25 H new ATOM 0 HB3 GLN B 114 10.873 -21.540 -3.981 1.00 22.25 H new ATOM 0 HG2 GLN B 114 12.721 -21.838 -2.676 1.00 27.59 H new ATOM 0 HG3 GLN B 114 13.032 -23.183 -3.400 1.00 27.59 H new ATOM 0 HE21 GLN B 114 14.203 -23.114 -5.296 1.00 42.02 H new ATOM 0 HE22 GLN B 114 14.415 -21.915 -6.154 1.00 42.02 H new ATOM 1885 N THR B 115 9.484 -21.587 -1.361 1.00 18.41 N ANISOU 1885 N THR B 115 1700 2359 2935 204 68 -134 N ATOM 1886 CA ATHR B 115 9.364 -20.919 -0.076 0.50 19.77 C ANISOU 1886 CA ATHR B 115 1943 2686 2881 214 -71 -74 C ATOM 1887 CA BTHR B 115 9.376 -20.916 -0.091 0.50 20.15 C ANISOU 1887 CA BTHR B 115 2046 2722 2888 213 -73 -66 C ATOM 1888 C THR B 115 7.932 -20.546 0.162 1.00 19.03 C ANISOU 1888 C THR B 115 1955 2592 2683 385 -192 -36 C ATOM 1889 O THR B 115 7.189 -20.177 -0.780 1.00 19.02 O ANISOU 1889 O THR B 115 1977 2587 2661 497 -163 -40 O ATOM 1890 CB ATHR B 115 10.180 -19.624 0.016 0.50 20.40 C ANISOU 1890 CB ATHR B 115 1884 2746 3120 161 -136 -6 C ATOM 1891 CB BTHR B 115 10.223 -19.624 -0.031 0.50 21.18 C ANISOU 1891 CB BTHR B 115 2074 2809 3164 142 -123 -35 C ATOM 1892 OG1ATHR B 115 11.576 -19.940 0.017 0.50 21.72 O ANISOU 1892 OG1ATHR B 115 1485 3064 3702 82 -86 -105 O ATOM 1893 OG1BTHR B 115 9.647 -18.602 -0.825 0.50 24.83 O ANISOU 1893 OG1BTHR B 115 2927 2960 3545 -51 -111 -67 O ATOM 1894 CG2ATHR B 115 9.958 -18.931 1.314 0.50 23.64 C ANISOU 1894 CG2ATHR B 115 2660 3044 3277 -271 69 -80 C ATOM 1895 CG2BTHR B 115 11.638 -19.838 -0.592 0.50 21.64 C ANISOU 1895 CG2BTHR B 115 1914 3195 3111 -118 -73 41 C ATOM 0 H ATHR B 115 8.958 -21.285 -1.971 0.50 18.41 H new ATOM 0 H BTHR B 115 8.952 -21.290 -1.968 0.50 18.41 H new ATOM 0 HA ATHR B 115 9.701 -21.546 0.583 0.50 20.15 H new ATOM 0 HA BTHR B 115 9.708 -21.529 0.583 0.50 20.15 H new ATOM 0 HB ATHR B 115 9.909 -19.071 -0.734 0.50 21.18 H new ATOM 0 HB BTHR B 115 10.256 -19.378 0.907 0.50 21.18 H new ATOM 0 HG1ATHR B 115 12.024 -19.231 0.066 0.50 24.83 H new ATOM 0 HG1BTHR B 115 9.081 -18.179 -0.371 0.50 24.83 H new ATOM 0 HG21ATHR B 115 10.486 -18.118 1.341 0.50 21.64 H new ATOM 0 HG21BTHR B 115 12.137 -19.008 -0.537 0.50 21.64 H new ATOM 0 HG22ATHR B 115 9.018 -18.709 1.406 0.50 21.64 H new ATOM 0 HG22BTHR B 115 12.091 -20.522 -0.075 0.50 21.64 H new ATOM 0 HG23ATHR B 115 10.225 -19.514 2.042 0.50 21.64 H new ATOM 0 HG23BTHR B 115 11.580 -20.119 -1.518 0.50 21.64 H new ATOM 1896 N AMET B 116 7.527 -20.718 1.410 0.50 16.93 N ANISOU 1896 N AMET B 116 1262 2685 2485 663 -444 -212 N ATOM 1897 N BMET B 116 7.513 -20.675 1.386 0.50 19.78 N ANISOU 1897 N BMET B 116 1888 2925 2702 564 -303 -169 N ATOM 1898 CA AMET B 116 6.172 -20.347 1.837 0.50 16.39 C ANISOU 1898 CA AMET B 116 1410 2642 2175 573 -396 -77 C ATOM 1899 CA BMET B 116 6.235 -20.100 1.679 0.50 20.19 C ANISOU 1899 CA BMET B 116 1953 3124 2592 536 -283 -123 C ATOM 1900 C AMET B 116 6.265 -19.502 3.117 0.50 17.13 C ANISOU 1900 C AMET B 116 1724 2538 2244 463 -313 -181 C ATOM 1901 C BMET B 116 6.406 -19.363 2.977 0.50 18.47 C ANISOU 1901 C BMET B 116 1752 2773 2490 502 -249 -196 C ATOM 1902 O AMET B 116 6.880 -19.956 4.118 0.50 17.40 O ANISOU 1902 O AMET B 116 1801 2435 2376 506 -296 3 O ATOM 1903 O BMET B 116 7.252 -19.697 3.805 0.50 18.57 O ANISOU 1903 O BMET B 116 1616 3004 2435 505 -428 -200 O ATOM 1904 CB AMET B 116 5.338 -21.567 2.156 0.50 18.28 C ANISOU 1904 CB AMET B 116 1816 2772 2355 393 -378 -155 C ATOM 1905 CB BMET B 116 5.154 -21.158 1.744 0.50 22.41 C ANISOU 1905 CB BMET B 116 2530 3185 2798 403 -184 -51 C ATOM 1906 CG AMET B 116 3.930 -21.084 2.307 0.50 20.05 C ANISOU 1906 CG AMET B 116 2035 3020 2562 -62 -148 78 C ATOM 1907 CG BMET B 116 3.734 -20.558 1.724 0.50 25.73 C ANISOU 1907 CG BMET B 116 2933 3565 3276 271 -241 -1 C ATOM 1908 SD AMET B 116 3.271 -20.834 3.956 0.50 21.71 S ANISOU 1908 SD AMET B 116 2355 2743 3150 -130 -19 -303 S ATOM 1909 SD BMET B 116 2.668 -21.721 2.551 0.50 28.20 S ANISOU 1909 SD BMET B 116 2446 4478 3791 15 -668 117 S ATOM 1910 CE AMET B 116 2.802 -22.554 4.180 0.50 20.70 C ANISOU 1910 CE AMET B 116 1901 2828 3136 -143 279 -51 C ATOM 1911 CE BMET B 116 3.597 -21.771 4.051 0.50 23.62 C ANISOU 1911 CE BMET B 116 2791 2892 3289 489 -633 309 C ATOM 0 H AMET B 116 8.018 -21.049 2.033 0.50 19.78 H new ATOM 0 H BMET B 116 7.923 -21.068 2.032 0.50 19.78 H new ATOM 0 HA AMET B 116 5.756 -19.856 1.111 0.50 20.19 H new ATOM 0 HA BMET B 116 5.944 -19.493 0.980 0.50 20.19 H new ATOM 0 HB2AMET B 116 5.404 -22.226 1.447 0.50 22.41 H new ATOM 0 HB2BMET B 116 5.255 -21.765 0.994 0.50 22.41 H new ATOM 0 HB3AMET B 116 5.647 -21.994 2.970 0.50 22.41 H new ATOM 0 HB3BMET B 116 5.268 -21.683 2.552 0.50 22.41 H new ATOM 0 HG2AMET B 116 3.856 -20.242 1.831 0.50 25.73 H new ATOM 0 HG2BMET B 116 3.718 -19.698 2.173 0.50 25.73 H new ATOM 0 HG3AMET B 116 3.352 -21.718 1.853 0.50 25.73 H new ATOM 0 HG3BMET B 116 3.437 -20.408 0.813 0.50 25.73 H new ATOM 0 HE1AMET B 116 2.442 -22.678 5.072 0.50 23.62 H new ATOM 0 HE1BMET B 116 2.992 -21.857 4.804 0.50 23.62 H new ATOM 0 HE2AMET B 116 2.129 -22.794 3.524 0.50 23.62 H new ATOM 0 HE2BMET B 116 4.200 -22.531 4.033 0.50 23.62 H new ATOM 0 HE3AMET B 116 3.581 -23.120 4.064 0.50 23.62 H new ATOM 0 HE3BMET B 116 4.111 -20.953 4.141 0.50 23.62 H new ATOM 1912 N GLN B 117 5.596 -18.340 3.122 1.00 17.91 N ANISOU 1912 N GLN B 117 1517 2777 2508 653 -226 -260 N ATOM 1913 CA GLN B 117 5.482 -17.570 4.331 1.00 16.92 C ANISOU 1913 CA GLN B 117 1357 2647 2422 307 -444 -295 C ATOM 1914 C GLN B 117 3.987 -17.436 4.660 1.00 15.39 C ANISOU 1914 C GLN B 117 1416 2367 2062 259 -398 -201 C ATOM 1915 O GLN B 117 3.225 -16.999 3.791 1.00 16.63 O ANISOU 1915 O GLN B 117 1268 2923 2128 324 -425 13 O ATOM 1916 CB GLN B 117 6.085 -16.188 4.118 1.00 19.06 C ANISOU 1916 CB GLN B 117 1617 2892 2732 348 -161 -302 C ATOM 1917 CG GLN B 117 7.563 -16.332 3.887 1.00 24.52 C ANISOU 1917 CG GLN B 117 1568 3853 3895 829 -223 52 C ATOM 1918 CD GLN B 117 8.276 -15.088 3.481 1.00 37.13 C ANISOU 1918 CD GLN B 117 4179 4717 5210 64 -230 89 C ATOM 1919 OE1 GLN B 117 7.979 -14.480 2.447 1.00 43.74 O ANISOU 1919 OE1 GLN B 117 5218 5720 5680 207 -180 132 O ATOM 1920 NE2 GLN B 117 9.319 -14.744 4.248 1.00 40.34 N ANISOU 1920 NE2 GLN B 117 4438 5420 5469 -194 -396 50 N ATOM 0 H AGLN B 117 5.210 -17.996 2.435 0.50 17.91 H new ATOM 0 H BGLN B 117 5.077 -18.065 2.494 0.50 17.91 H new ATOM 0 HA GLN B 117 5.954 -18.006 5.058 1.00 16.92 H new ATOM 0 HB2 GLN B 117 5.667 -15.753 3.358 1.00 19.06 H new ATOM 0 HB3 GLN B 117 5.920 -15.627 4.892 1.00 19.06 H new ATOM 0 HG2 GLN B 117 7.970 -16.668 4.701 1.00 24.52 H new ATOM 0 HG3 GLN B 117 7.703 -17.004 3.202 1.00 24.52 H new ATOM 0 HE21 GLN B 117 9.495 -15.192 4.961 1.00 40.34 H new ATOM 0 HE22 GLN B 117 9.813 -14.076 4.027 1.00 40.34 H new ATOM 1921 N ALA B 118 3.580 -17.834 5.855 1.00 17.22 N ANISOU 1921 N ALA B 118 1777 2574 2191 425 -390 -257 N ATOM 1922 CA ALA B 118 2.188 -17.707 6.297 1.00 18.45 C ANISOU 1922 CA ALA B 118 2072 2565 2370 488 -333 -178 C ATOM 1923 C ALA B 118 2.040 -16.579 7.292 1.00 17.84 C ANISOU 1923 C ALA B 118 2065 2629 2083 305 -556 -223 C ATOM 1924 O ALA B 118 2.546 -16.666 8.383 1.00 23.53 O ANISOU 1924 O ALA B 118 3161 3288 2488 957 -906 -291 O ATOM 1925 CB ALA B 118 1.697 -19.028 6.985 1.00 21.01 C ANISOU 1925 CB ALA B 118 2434 2932 2615 297 -252 -49 C ATOM 0 H ALA B 118 4.101 -18.188 6.440 1.00 17.22 H new ATOM 0 HA ALA B 118 1.654 -17.526 5.508 1.00 18.45 H new ATOM 0 HB1 ALA B 118 0.776 -18.922 7.269 1.00 21.01 H new ATOM 0 HB2 ALA B 118 1.758 -19.763 6.355 1.00 21.01 H new ATOM 0 HB3 ALA B 118 2.253 -19.217 7.757 1.00 21.01 H new ATOM 1926 N TYR B 119 1.230 -15.607 6.985 1.00 14.47 N ANISOU 1926 N TYR B 119 1296 2270 1932 157 -22 -81 N ATOM 1927 CA TYR B 119 1.024 -14.441 7.795 1.00 14.30 C ANISOU 1927 CA TYR B 119 1018 2352 2062 -83 -81 -60 C ATOM 1928 C TYR B 119 -0.281 -14.627 8.572 1.00 14.38 C ANISOU 1928 C TYR B 119 1034 2386 2042 -7 -69 9 C ATOM 1929 O TYR B 119 -1.361 -14.798 7.992 1.00 14.82 O ANISOU 1929 O TYR B 119 901 2645 2084 0 -129 -194 O ATOM 1930 CB TYR B 119 0.893 -13.191 6.945 1.00 15.12 C ANISOU 1930 CB TYR B 119 1086 2357 2301 -234 68 -37 C ATOM 1931 CG TYR B 119 2.132 -12.799 6.299 1.00 15.79 C ANISOU 1931 CG TYR B 119 1536 1986 2478 -51 40 -9 C ATOM 1932 CD1 TYR B 119 2.506 -13.374 5.118 1.00 17.46 C ANISOU 1932 CD1 TYR B 119 1646 2641 2346 358 170 13 C ATOM 1933 CD2 TYR B 119 2.937 -11.833 6.871 1.00 19.78 C ANISOU 1933 CD2 TYR B 119 1803 2784 2925 -537 -126 -85 C ATOM 1934 CE1 TYR B 119 3.752 -13.086 4.486 1.00 18.68 C ANISOU 1934 CE1 TYR B 119 1927 2352 2815 223 -44 -65 C ATOM 1935 CE2 TYR B 119 4.232 -11.531 6.281 1.00 21.75 C ANISOU 1935 CE2 TYR B 119 1812 3178 3272 -443 -126 -307 C ATOM 1936 CZ TYR B 119 4.645 -12.126 5.022 1.00 17.41 C ANISOU 1936 CZ TYR B 119 370 3101 3141 167 549 -113 C ATOM 1937 OH TYR B 119 5.861 -11.878 4.455 1.00 25.83 O ANISOU 1937 OH TYR B 119 1799 3863 4150 -85 123 477 O ATOM 0 H TYR B 119 0.761 -15.605 6.264 1.00 14.47 H new ATOM 0 HA TYR B 119 1.786 -14.335 8.386 1.00 14.30 H new ATOM 0 HB2 TYR B 119 0.216 -13.339 6.267 1.00 15.12 H new ATOM 0 HB3 TYR B 119 0.582 -12.461 7.502 1.00 15.12 H new ATOM 0 HD1 TYR B 119 1.926 -13.976 4.710 1.00 17.46 H new ATOM 0 HD2 TYR B 119 2.652 -11.378 7.630 1.00 19.78 H new ATOM 0 HE1 TYR B 119 3.983 -13.538 3.706 1.00 18.68 H new ATOM 0 HE2 TYR B 119 4.807 -10.945 6.719 1.00 21.75 H new ATOM 0 HH TYR B 119 5.942 -12.334 3.754 1.00 25.83 H new ATOM 1938 N TRP B 120 -0.162 -14.566 9.895 1.00 15.29 N ANISOU 1938 N TRP B 120 1590 2431 1786 -23 76 34 N ATOM 1939 CA TRP B 120 -1.292 -14.614 10.808 1.00 16.29 C ANISOU 1939 CA TRP B 120 1886 2522 1780 -268 -109 -102 C ATOM 1940 C TRP B 120 -0.774 -14.492 12.211 1.00 18.30 C ANISOU 1940 C TRP B 120 2243 2817 1890 -361 -61 29 C ATOM 1941 O TRP B 120 0.410 -14.747 12.437 1.00 18.52 O ANISOU 1941 O TRP B 120 2103 2932 1999 -226 -306 -40 O ATOM 1942 CB TRP B 120 -2.123 -15.903 10.712 1.00 17.11 C ANISOU 1942 CB TRP B 120 1581 2651 2269 -58 86 -43 C ATOM 1943 CG TRP B 120 -1.331 -17.182 11.050 1.00 20.21 C ANISOU 1943 CG TRP B 120 2480 2817 2381 0 -392 -49 C ATOM 1944 CD1 TRP B 120 -0.626 -17.971 10.180 1.00 19.92 C ANISOU 1944 CD1 TRP B 120 2003 3013 2551 -71 -392 -200 C ATOM 1945 CD2 TRP B 120 -1.284 -17.859 12.308 1.00 18.93 C ANISOU 1945 CD2 TRP B 120 2297 2507 2389 -305 98 -139 C ATOM 1946 NE1 TRP B 120 -0.105 -19.085 10.812 1.00 21.72 N ANISOU 1946 NE1 TRP B 120 2633 2775 2845 -238 -30 90 N ATOM 1947 CE2 TRP B 120 -0.487 -19.036 12.128 1.00 22.12 C ANISOU 1947 CE2 TRP B 120 3056 2630 2718 -274 -86 156 C ATOM 1948 CE3 TRP B 120 -1.846 -17.597 13.567 1.00 22.94 C ANISOU 1948 CE3 TRP B 120 3609 2823 2281 -540 -80 79 C ATOM 1949 CZ2 TRP B 120 -0.217 -19.932 13.187 1.00 26.15 C ANISOU 1949 CZ2 TRP B 120 3853 2836 3243 77 55 146 C ATOM 1950 CZ3 TRP B 120 -1.582 -18.496 14.630 1.00 23.51 C ANISOU 1950 CZ3 TRP B 120 3275 2849 2805 -7 -155 290 C ATOM 1951 CH2 TRP B 120 -0.778 -19.638 14.426 1.00 25.53 C ANISOU 1951 CH2 TRP B 120 3823 3098 2777 143 -132 195 C ATOM 0 H TRP B 120 0.597 -14.494 10.293 1.00 15.29 H new ATOM 0 HA TRP B 120 -1.879 -13.883 10.561 1.00 16.29 H new ATOM 0 HB2 TRP B 120 -2.881 -15.834 11.313 1.00 17.11 H new ATOM 0 HB3 TRP B 120 -2.479 -15.982 9.813 1.00 17.11 H new ATOM 0 HD1 TRP B 120 -0.512 -17.781 9.277 1.00 19.92 H new ATOM 0 HE1 TRP B 120 0.373 -19.699 10.445 1.00 21.72 H new ATOM 0 HE3 TRP B 120 -2.381 -16.848 13.701 1.00 22.94 H new ATOM 0 HZ2 TRP B 120 0.313 -20.686 13.061 1.00 26.15 H new ATOM 0 HZ3 TRP B 120 -1.942 -18.332 15.471 1.00 23.51 H new ATOM 0 HH2 TRP B 120 -0.618 -20.211 15.141 1.00 25.53 H new ATOM 1952 N SER B 121 -1.619 -14.112 13.146 1.00 17.63 N ANISOU 1952 N SER B 121 2347 2778 1571 -445 104 -67 N ATOM 1953 CA SER B 121 -1.263 -14.208 14.522 1.00 19.66 C ANISOU 1953 CA SER B 121 2555 2941 1971 -413 144 1 C ATOM 1954 C SER B 121 -2.575 -14.500 15.300 1.00 19.74 C ANISOU 1954 C SER B 121 2739 2854 1904 -331 183 90 C ATOM 1955 O SER B 121 -3.624 -14.706 14.711 1.00 19.57 O ANISOU 1955 O SER B 121 2717 2676 2041 70 279 24 O ATOM 1956 CB SER B 121 -0.549 -12.993 15.057 1.00 22.80 C ANISOU 1956 CB SER B 121 2954 3164 2545 -475 73 20 C ATOM 1957 OG SER B 121 -1.407 -11.882 15.025 1.00 23.74 O ANISOU 1957 OG SER B 121 3087 3134 2799 -697 -28 -284 O ATOM 0 H SER B 121 -2.404 -13.796 12.995 1.00 17.63 H new ATOM 0 HA SER B 121 -0.616 -14.922 14.637 1.00 19.66 H new ATOM 0 HB2 SER B 121 -0.252 -13.156 15.966 1.00 22.80 H new ATOM 0 HB3 SER B 121 0.244 -12.815 14.528 1.00 22.80 H new ATOM 0 HG SER B 121 -1.242 -11.420 14.343 1.00 23.74 H new ATOM 1958 N GLU B 122 -2.471 -14.500 16.619 1.00 20.01 N ANISOU 1958 N GLU B 122 2708 2877 2014 -295 227 -29 N ATOM 1959 CA GLU B 122 -3.583 -14.850 17.435 1.00 22.27 C ANISOU 1959 CA GLU B 122 3149 3400 1912 -322 250 -5 C ATOM 1960 C GLU B 122 -4.813 -13.949 17.226 1.00 23.24 C ANISOU 1960 C GLU B 122 3220 3544 2065 -348 230 -215 C ATOM 1961 O GLU B 122 -5.956 -14.471 17.362 1.00 26.42 O ANISOU 1961 O GLU B 122 3403 4407 2226 -317 366 -259 O ATOM 1962 CB GLU B 122 -3.123 -14.926 18.915 1.00 23.90 C ANISOU 1962 CB GLU B 122 3278 3614 2187 -96 132 159 C ATOM 1963 CG GLU B 122 -1.970 -15.933 19.111 1.00 28.53 C ANISOU 1963 CG GLU B 122 3463 4135 3241 -209 123 232 C ATOM 1964 CD GLU B 122 -0.554 -15.324 18.917 1.00 29.15 C ANISOU 1964 CD GLU B 122 3424 4215 3435 -185 -70 353 C ATOM 1965 OE1 GLU B 122 -0.512 -14.154 18.497 1.00 29.60 O ANISOU 1965 OE1 GLU B 122 4250 4169 2827 -550 -275 289 O ATOM 1966 OE2 GLU B 122 0.484 -16.005 19.234 1.00 34.00 O ANISOU 1966 OE2 GLU B 122 4273 4755 3887 348 -100 513 O ATOM 0 H GLU B 122 -1.755 -14.297 17.051 1.00 20.01 H new ATOM 0 HA GLU B 122 -3.895 -15.727 17.161 1.00 22.27 H new ATOM 0 HB2 GLU B 122 -2.837 -14.047 19.210 1.00 23.90 H new ATOM 0 HB3 GLU B 122 -3.874 -15.182 19.473 1.00 23.90 H new ATOM 0 HG2 GLU B 122 -2.030 -16.309 20.003 1.00 28.53 H new ATOM 0 HG3 GLU B 122 -2.084 -16.666 18.486 1.00 28.53 H new ATOM 1967 N VAL B 123 -4.586 -12.704 16.776 1.00 25.07 N ANISOU 1967 N VAL B 123 3621 3377 2525 75 -93 -489 N ATOM 1968 CA VAL B 123 -5.608 -11.702 16.399 1.00 27.80 C ANISOU 1968 CA VAL B 123 3780 3715 3065 72 -49 -323 C ATOM 1969 C VAL B 123 -6.502 -12.288 15.285 1.00 25.64 C ANISOU 1969 C VAL B 123 3265 3701 2777 280 -40 -464 C ATOM 1970 O VAL B 123 -7.689 -11.972 15.200 1.00 29.75 O ANISOU 1970 O VAL B 123 3786 4350 3167 688 32 -936 O ATOM 1971 CB VAL B 123 -4.963 -10.253 15.931 1.00 26.51 C ANISOU 1971 CB VAL B 123 3579 3472 3020 38 243 -318 C ATOM 1972 CG1 VAL B 123 -4.167 -9.605 17.039 1.00 32.09 C ANISOU 1972 CG1 VAL B 123 4215 4155 3823 -26 246 -220 C ATOM 1973 CG2 VAL B 123 -4.065 -10.290 14.691 1.00 29.72 C ANISOU 1973 CG2 VAL B 123 3798 4022 3472 -15 314 -258 C ATOM 0 H VAL B 123 -3.787 -12.403 16.676 1.00 25.07 H new ATOM 0 HA VAL B 123 -6.137 -11.512 17.190 1.00 27.80 H new ATOM 0 HB VAL B 123 -5.753 -9.738 15.705 1.00 26.51 H new ATOM 0 HG11 VAL B 123 -3.806 -8.760 16.727 1.00 32.09 H new ATOM 0 HG12 VAL B 123 -4.744 -9.447 17.803 1.00 32.09 H new ATOM 0 HG13 VAL B 123 -3.439 -10.191 17.300 1.00 32.09 H new ATOM 0 HG21 VAL B 123 -3.739 -9.397 14.501 1.00 29.72 H new ATOM 0 HG22 VAL B 123 -3.313 -10.880 14.854 1.00 29.72 H new ATOM 0 HG23 VAL B 123 -4.574 -10.617 13.932 1.00 29.72 H new ATOM 1974 N ASN B 124 -5.957 -13.221 14.497 1.00 21.07 N ANISOU 1974 N ASN B 124 2726 2865 2411 87 261 -434 N ATOM 1975 CA ASN B 124 -6.641 -13.814 13.370 1.00 20.02 C ANISOU 1975 CA ASN B 124 2426 3002 2177 -2 219 -56 C ATOM 1976 C ASN B 124 -7.395 -15.100 13.693 1.00 20.53 C ANISOU 1976 C ASN B 124 2770 2976 2053 -235 272 -158 C ATOM 1977 O ASN B 124 -7.963 -15.705 12.813 1.00 19.87 O ANISOU 1977 O ASN B 124 2319 3006 2222 -286 62 -56 O ATOM 1978 CB ASN B 124 -5.640 -14.049 12.257 1.00 18.38 C ANISOU 1978 CB ASN B 124 2127 2584 2271 -98 508 -178 C ATOM 1979 CG ASN B 124 -5.050 -12.748 11.756 1.00 18.16 C ANISOU 1979 CG ASN B 124 2005 2784 2111 272 -76 -121 C ATOM 1980 OD1 ASN B 124 -3.799 -12.586 11.794 1.00 18.85 O ANISOU 1980 OD1 ASN B 124 2175 2657 2327 93 201 -63 O ATOM 1981 ND2 ASN B 124 -5.928 -11.822 11.252 1.00 18.38 N ANISOU 1981 ND2 ASN B 124 1517 3030 2436 429 -1 -107 N ATOM 0 H ASN B 124 -5.162 -13.526 14.614 1.00 21.07 H new ATOM 0 HA ASN B 124 -7.326 -13.184 13.095 1.00 20.02 H new ATOM 0 HB2 ASN B 124 -4.929 -14.626 12.577 1.00 18.38 H new ATOM 0 HB3 ASN B 124 -6.073 -14.513 11.523 1.00 18.38 H new ATOM 0 HD21 ASN B 124 -5.634 -11.078 10.937 1.00 18.38 H new ATOM 0 HD22 ASN B 124 -6.772 -11.986 11.251 1.00 18.38 H new ATOM 1982 N LEU B 125 -7.380 -15.528 14.951 1.00 21.90 N ANISOU 1982 N LEU B 125 2699 3345 2274 -100 430 -94 N ATOM 1983 CA LEU B 125 -8.146 -16.675 15.383 1.00 23.39 C ANISOU 1983 CA LEU B 125 2770 3584 2531 -149 547 -98 C ATOM 1984 C LEU B 125 -9.527 -16.256 15.897 1.00 23.77 C ANISOU 1984 C LEU B 125 2712 3655 2664 0 497 -310 C ATOM 1985 O LEU B 125 -9.640 -15.266 16.543 1.00 24.54 O ANISOU 1985 O LEU B 125 2464 3736 3124 -131 743 -369 O ATOM 1986 CB LEU B 125 -7.407 -17.385 16.512 1.00 25.50 C ANISOU 1986 CB LEU B 125 3155 3808 2726 -213 334 102 C ATOM 1987 CG LEU B 125 -8.107 -18.632 17.057 1.00 28.74 C ANISOU 1987 CG LEU B 125 3438 4171 3310 -180 197 133 C ATOM 1988 CD1 LEU B 125 -8.113 -19.707 15.979 1.00 29.91 C ANISOU 1988 CD1 LEU B 125 2906 4412 4046 -333 -31 -82 C ATOM 1989 CD2 LEU B 125 -7.367 -19.096 18.358 1.00 32.12 C ANISOU 1989 CD2 LEU B 125 3673 4563 3968 -165 -217 147 C ATOM 0 H LEU B 125 -6.921 -15.156 15.576 1.00 21.90 H new ATOM 0 HA LEU B 125 -8.257 -17.265 14.621 1.00 23.39 H new ATOM 0 HB2 LEU B 125 -6.526 -17.637 16.195 1.00 25.50 H new ATOM 0 HB3 LEU B 125 -7.278 -16.758 17.241 1.00 25.50 H new ATOM 0 HG LEU B 125 -9.030 -18.445 17.290 1.00 28.74 H new ATOM 0 HD11 LEU B 125 -8.555 -20.502 16.317 1.00 29.91 H new ATOM 0 HD12 LEU B 125 -8.587 -19.380 15.199 1.00 29.91 H new ATOM 0 HD13 LEU B 125 -7.200 -19.925 15.734 1.00 29.91 H new ATOM 0 HD21 LEU B 125 -7.802 -19.887 18.713 1.00 32.12 H new ATOM 0 HD22 LEU B 125 -6.443 -19.303 18.149 1.00 32.12 H new ATOM 0 HD23 LEU B 125 -7.398 -18.386 19.019 1.00 32.12 H new ATOM 1990 N SER B 126 -10.535 -17.047 15.582 1.00 25.16 N ANISOU 1990 N SER B 126 2614 3976 2968 -55 837 -362 N ATOM 1991 CA SER B 126 -11.892 -16.854 16.119 1.00 28.12 C ANISOU 1991 CA SER B 126 3138 4328 3215 42 651 -313 C ATOM 1992 C SER B 126 -12.331 -18.142 16.752 1.00 28.50 C ANISOU 1992 C SER B 126 3247 4179 3402 -55 465 -311 C ATOM 1993 O SER B 126 -12.417 -19.132 16.088 1.00 29.34 O ANISOU 1993 O SER B 126 3418 4464 3265 -108 618 -278 O ATOM 1994 CB SER B 126 -12.859 -16.512 14.977 1.00 29.07 C ANISOU 1994 CB SER B 126 3080 4197 3768 128 457 -95 C ATOM 1995 OG SER B 126 -12.545 -15.272 14.388 1.00 35.31 O ANISOU 1995 OG SER B 126 3970 5059 4386 123 311 -47 O ATOM 0 H SER B 126 -10.463 -17.718 15.049 1.00 25.16 H new ATOM 0 HA SER B 126 -11.891 -16.132 16.766 1.00 28.12 H new ATOM 0 HB2 SER B 126 -12.825 -17.209 14.303 1.00 29.07 H new ATOM 0 HB3 SER B 126 -13.767 -16.489 15.317 1.00 29.07 H new ATOM 0 HG SER B 126 -12.005 -15.391 13.756 1.00 35.31 H new ATOM 1996 N VAL B 127 -12.606 -18.154 18.060 1.00 32.84 N ANISOU 1996 N VAL B 127 4179 4614 3684 -180 398 -331 N ATOM 1997 CA VAL B 127 -13.087 -19.392 18.706 1.00 36.07 C ANISOU 1997 CA VAL B 127 4533 4813 4358 -172 303 -244 C ATOM 1998 C VAL B 127 -14.617 -19.332 18.770 1.00 38.55 C ANISOU 1998 C VAL B 127 4702 5031 4912 -99 266 -227 C ATOM 1999 O VAL B 127 -15.193 -18.305 19.175 1.00 40.54 O ANISOU 1999 O VAL B 127 4871 5239 5293 -229 351 -307 O ATOM 2000 CB VAL B 127 -12.429 -19.680 20.136 1.00 37.21 C ANISOU 2000 CB VAL B 127 4705 4806 4628 -131 169 -137 C ATOM 2001 CG1 VAL B 127 -12.823 -18.638 21.165 1.00 39.38 C ANISOU 2001 CG1 VAL B 127 4975 5013 4974 -61 172 -281 C ATOM 2002 CG2 VAL B 127 -12.817 -21.071 20.693 1.00 37.89 C ANISOU 2002 CG2 VAL B 127 4823 4978 4592 -127 313 -47 C ATOM 0 H VAL B 127 -12.525 -17.477 18.584 1.00 32.84 H new ATOM 0 HA VAL B 127 -12.804 -20.147 18.167 1.00 36.07 H new ATOM 0 HB VAL B 127 -11.471 -19.647 19.986 1.00 37.21 H new ATOM 0 HG11 VAL B 127 -12.405 -18.848 22.015 1.00 39.38 H new ATOM 0 HG12 VAL B 127 -12.529 -17.763 20.868 1.00 39.38 H new ATOM 0 HG13 VAL B 127 -13.787 -18.636 21.271 1.00 39.38 H new ATOM 0 HG21 VAL B 127 -12.397 -21.202 21.558 1.00 37.89 H new ATOM 0 HG22 VAL B 127 -13.781 -21.123 20.790 1.00 37.89 H new ATOM 0 HG23 VAL B 127 -12.516 -21.760 20.080 1.00 37.89 H new TER 2003 VAL B 127 ATOM 2004 N ASN C 2 -18.632 -26.249 -17.883 1.00 47.12 N ANISOU 2004 N ASN C 2 5813 6012 6075 -15 27 37 N ATOM 2005 CA ASN C 2 -19.596 -25.110 -18.015 1.00 47.08 C ANISOU 2005 CA ASN C 2 5904 5954 6028 -26 76 3 C ATOM 2006 C ASN C 2 -19.161 -23.985 -18.989 1.00 46.27 C ANISOU 2006 C ASN C 2 5790 5875 5912 -39 104 5 C ATOM 2007 O ASN C 2 -18.245 -24.194 -19.803 1.00 46.76 O ANISOU 2007 O ASN C 2 5837 5934 5994 -65 142 -4 O ATOM 2008 CB ASN C 2 -20.003 -24.582 -16.623 1.00 47.72 C ANISOU 2008 CB ASN C 2 6017 6049 6064 -23 38 25 C ATOM 2009 CG ASN C 2 -21.138 -25.382 -16.010 1.00 48.65 C ANISOU 2009 CG ASN C 2 6117 6241 6124 68 115 29 C ATOM 2010 OD1 ASN C 2 -22.290 -24.965 -16.065 1.00 52.19 O ANISOU 2010 OD1 ASN C 2 6480 6728 6621 94 54 -122 O ATOM 2011 ND2 ASN C 2 -20.825 -26.547 -15.452 1.00 49.09 N ANISOU 2011 ND2 ASN C 2 6281 6303 6067 106 162 97 N ATOM 0 HA ASN C 2 -20.384 -25.477 -18.446 1.00 47.08 H new ATOM 0 HB2 ASN C 2 -19.235 -24.610 -16.032 1.00 47.72 H new ATOM 0 HB3 ASN C 2 -20.269 -23.652 -16.698 1.00 47.72 H new ATOM 0 HD21 ASN C 2 -21.442 -27.040 -15.112 1.00 49.09 H new ATOM 0 HD22 ASN C 2 -20.006 -26.808 -15.431 1.00 49.09 H new ATOM 2012 N LEU C 3 -19.839 -22.830 -18.939 1.00 45.07 N ANISOU 2012 N LEU C 3 5667 5724 5732 -126 100 -9 N ATOM 2013 CA LEU C 3 -19.636 -21.732 -19.920 1.00 43.00 C ANISOU 2013 CA LEU C 3 5405 5606 5324 -179 101 -31 C ATOM 2014 C LEU C 3 -18.417 -20.892 -19.589 1.00 41.79 C ANISOU 2014 C LEU C 3 5286 5520 5070 -210 113 -149 C ATOM 2015 O LEU C 3 -18.459 -20.056 -18.655 1.00 42.94 O ANISOU 2015 O LEU C 3 5393 5735 5187 -326 148 -164 O ATOM 2016 CB LEU C 3 -20.835 -20.767 -19.999 1.00 44.20 C ANISOU 2016 CB LEU C 3 5581 5726 5486 -62 45 -91 C ATOM 2017 CG LEU C 3 -20.659 -19.551 -20.910 1.00 42.58 C ANISOU 2017 CG LEU C 3 5423 5452 5300 -62 189 -68 C ATOM 2018 CD1 LEU C 3 -20.746 -19.988 -22.360 1.00 43.37 C ANISOU 2018 CD1 LEU C 3 5530 5429 5519 -201 247 -131 C ATOM 2019 CD2 LEU C 3 -21.702 -18.431 -20.679 1.00 42.79 C ANISOU 2019 CD2 LEU C 3 5276 5595 5385 -49 192 -132 C ATOM 0 H LEU C 3 -20.430 -22.655 -18.339 1.00 45.07 H new ATOM 0 HA LEU C 3 -19.522 -22.185 -20.770 1.00 43.00 H new ATOM 0 HB2 LEU C 3 -21.610 -21.266 -20.302 1.00 44.20 H new ATOM 0 HB3 LEU C 3 -21.033 -20.452 -19.103 1.00 44.20 H new ATOM 0 HG LEU C 3 -19.789 -19.181 -20.693 1.00 42.58 H new ATOM 0 HD11 LEU C 3 -20.634 -19.217 -22.938 1.00 43.37 H new ATOM 0 HD12 LEU C 3 -20.047 -20.635 -22.546 1.00 43.37 H new ATOM 0 HD13 LEU C 3 -21.612 -20.392 -22.525 1.00 43.37 H new ATOM 0 HD21 LEU C 3 -21.529 -17.697 -21.289 1.00 42.79 H new ATOM 0 HD22 LEU C 3 -22.593 -18.780 -20.839 1.00 42.79 H new ATOM 0 HD23 LEU C 3 -21.639 -18.113 -19.765 1.00 42.79 H new ATOM 2020 N PRO C 4 -17.374 -21.054 -20.414 1.00 38.77 N ANISOU 2020 N PRO C 4 4989 5198 4544 -369 88 -1 N ATOM 2021 CA PRO C 4 -16.023 -20.823 -20.021 1.00 35.77 C ANISOU 2021 CA PRO C 4 4730 4694 4167 -415 66 -98 C ATOM 2022 C PRO C 4 -15.779 -19.383 -19.613 1.00 32.95 C ANISOU 2022 C PRO C 4 4393 4391 3734 -440 95 -29 C ATOM 2023 O PRO C 4 -16.327 -18.433 -20.158 1.00 32.26 O ANISOU 2023 O PRO C 4 4140 4307 3810 -474 222 -276 O ATOM 2024 CB PRO C 4 -15.211 -21.292 -21.249 1.00 35.03 C ANISOU 2024 CB PRO C 4 4513 4629 4168 -469 6 -11 C ATOM 2025 CG PRO C 4 -16.115 -21.086 -22.371 1.00 37.32 C ANISOU 2025 CG PRO C 4 4794 4963 4422 -389 -41 -18 C ATOM 2026 CD PRO C 4 -17.442 -21.525 -21.814 1.00 38.40 C ANISOU 2026 CD PRO C 4 4970 5143 4476 -440 79 -115 C ATOM 0 HA PRO C 4 -15.762 -21.306 -19.221 1.00 35.77 H new ATOM 0 HB2 PRO C 4 -14.395 -20.778 -21.352 1.00 35.03 H new ATOM 0 HB3 PRO C 4 -14.952 -22.223 -21.168 1.00 35.03 H new ATOM 0 HG2 PRO C 4 -16.132 -20.158 -22.654 1.00 37.32 H new ATOM 0 HG3 PRO C 4 -15.856 -21.613 -23.143 1.00 37.32 H new ATOM 0 HD2 PRO C 4 -18.185 -21.126 -22.294 1.00 38.40 H new ATOM 0 HD3 PRO C 4 -17.555 -22.487 -21.866 1.00 38.40 H new ATOM 2027 N THR C 5 -15.002 -19.270 -18.566 1.00 31.38 N ANISOU 2027 N THR C 5 4467 4092 3360 -478 171 -135 N ATOM 2028 CA THR C 5 -14.406 -18.011 -18.202 1.00 29.32 C ANISOU 2028 CA THR C 5 4207 3874 3059 -484 191 -221 C ATOM 2029 C THR C 5 -13.435 -17.545 -19.264 1.00 28.05 C ANISOU 2029 C THR C 5 4144 3627 2883 -443 95 -144 C ATOM 2030 O THR C 5 -13.061 -18.306 -20.163 1.00 27.37 O ANISOU 2030 O THR C 5 3975 3700 2725 -528 88 -330 O ATOM 2031 CB THR C 5 -13.621 -18.200 -16.918 1.00 29.69 C ANISOU 2031 CB THR C 5 4285 4079 2915 -289 175 -103 C ATOM 2032 OG1 THR C 5 -12.529 -19.114 -17.112 1.00 29.99 O ANISOU 2032 OG1 THR C 5 4654 3960 2781 -350 169 -187 O ATOM 2033 CG2 THR C 5 -14.573 -18.683 -15.731 1.00 31.75 C ANISOU 2033 CG2 THR C 5 4397 4241 3423 -389 352 -25 C ATOM 0 H THR C 5 -14.803 -19.923 -18.042 1.00 31.38 H new ATOM 0 HA THR C 5 -15.113 -17.355 -18.099 1.00 29.32 H new ATOM 0 HB THR C 5 -13.247 -17.341 -16.667 1.00 29.69 H new ATOM 0 HG1 THR C 5 -12.107 -19.204 -16.391 1.00 29.99 H new ATOM 0 HG21 THR C 5 -14.050 -18.797 -14.922 1.00 31.75 H new ATOM 0 HG22 THR C 5 -15.263 -18.018 -15.578 1.00 31.75 H new ATOM 0 HG23 THR C 5 -14.986 -19.528 -15.970 1.00 31.75 H new ATOM 2034 N ALA C 6 -13.038 -16.282 -19.198 1.00 27.55 N ANISOU 2034 N ALA C 6 4135 3450 2883 -457 120 -302 N ATOM 2035 CA ALA C 6 -12.018 -15.803 -20.167 1.00 24.52 C ANISOU 2035 CA ALA C 6 3705 3019 2591 -415 -3 -341 C ATOM 2036 C ALA C 6 -10.772 -16.696 -20.206 1.00 24.65 C ANISOU 2036 C ALA C 6 3860 2978 2525 -378 -159 -233 C ATOM 2037 O ALA C 6 -10.255 -17.030 -21.272 1.00 22.99 O ANISOU 2037 O ALA C 6 3463 2797 2473 -367 -242 -259 O ATOM 2038 CB ALA C 6 -11.660 -14.319 -19.854 1.00 25.18 C ANISOU 2038 CB ALA C 6 3811 2913 2843 -599 53 -364 C ATOM 0 H ALA C 6 -13.322 -15.698 -18.634 1.00 27.55 H new ATOM 0 HA ALA C 6 -12.401 -15.854 -21.057 1.00 24.52 H new ATOM 0 HB1 ALA C 6 -10.994 -14.006 -20.486 1.00 25.18 H new ATOM 0 HB2 ALA C 6 -12.457 -13.771 -19.927 1.00 25.18 H new ATOM 0 HB3 ALA C 6 -11.305 -14.254 -18.953 1.00 25.18 H new ATOM 2039 N GLN C 7 -10.274 -17.110 -19.040 1.00 25.58 N ANISOU 2039 N GLN C 7 3993 3240 2485 -312 -398 -289 N ATOM 2040 CA GLN C 7 -9.112 -18.003 -19.004 1.00 27.68 C ANISOU 2040 CA GLN C 7 4266 3518 2730 -300 -414 -261 C ATOM 2041 C GLN C 7 -9.414 -19.332 -19.697 1.00 27.10 C ANISOU 2041 C GLN C 7 4302 3461 2532 -185 -352 -151 C ATOM 2042 O GLN C 7 -8.592 -19.863 -20.442 1.00 26.79 O ANISOU 2042 O GLN C 7 4301 3563 2312 -215 -598 -192 O ATOM 2043 CB GLN C 7 -8.689 -18.245 -17.543 1.00 28.03 C ANISOU 2043 CB GLN C 7 4242 3679 2729 -67 -526 -293 C ATOM 2044 CG GLN C 7 -7.987 -16.981 -17.000 1.00 34.37 C ANISOU 2044 CG GLN C 7 4841 4247 3970 -212 -425 -245 C ATOM 2045 CD GLN C 7 -7.102 -17.222 -15.763 1.00 36.26 C ANISOU 2045 CD GLN C 7 4880 4685 4210 144 -446 -136 C ATOM 2046 OE1 GLN C 7 -6.409 -18.357 -15.715 1.00 38.93 O flip ANISOU 2046 OE1 GLN C 7 5075 4761 4954 -192 -104 -200 O ATOM 2047 NE2 GLN C 7 -7.018 -16.361 -14.896 1.00 34.76 N flip ANISOU 2047 NE2 GLN C 7 4657 4423 4125 -216 -720 120 N ATOM 0 H GLN C 7 -10.587 -16.890 -18.270 1.00 25.58 H new ATOM 0 HA GLN C 7 -8.383 -17.578 -19.483 1.00 27.68 H new ATOM 0 HB2 GLN C 7 -9.466 -18.455 -17.001 1.00 28.03 H new ATOM 0 HB3 GLN C 7 -8.092 -19.008 -17.490 1.00 28.03 H new ATOM 0 HG2 GLN C 7 -7.440 -16.601 -17.705 1.00 34.37 H new ATOM 0 HG3 GLN C 7 -8.662 -16.321 -16.777 1.00 34.37 H new ATOM 0 HE21 GLN C 7 -7.481 -15.639 -14.960 1.00 34.76 H new ATOM 0 HE22 GLN C 7 -6.496 -16.478 -14.223 1.00 34.76 H new ATOM 2048 N GLU C 8 -10.615 -19.828 -19.447 1.00 25.39 N ANISOU 2048 N GLU C 8 4129 3284 2231 -308 -307 -168 N ATOM 2049 CA GLU C 8 -11.011 -21.088 -20.053 1.00 25.58 C ANISOU 2049 CA GLU C 8 4128 3171 2420 -330 -208 -101 C ATOM 2050 C GLU C 8 -11.213 -21.000 -21.552 1.00 24.08 C ANISOU 2050 C GLU C 8 3928 2947 2274 -272 -111 10 C ATOM 2051 O GLU C 8 -10.859 -21.917 -22.254 1.00 24.29 O ANISOU 2051 O GLU C 8 4087 2879 2263 -525 -322 -126 O ATOM 2052 CB GLU C 8 -12.289 -21.562 -19.427 1.00 26.84 C ANISOU 2052 CB GLU C 8 4099 3540 2559 -490 -234 -53 C ATOM 2053 CG GLU C 8 -11.931 -22.122 -18.038 1.00 30.04 C ANISOU 2053 CG GLU C 8 4540 3903 2971 -277 -177 66 C ATOM 2054 CD GLU C 8 -13.111 -22.485 -17.230 1.00 34.11 C ANISOU 2054 CD GLU C 8 4944 4478 3539 -147 105 363 C ATOM 2055 OE1 GLU C 8 -14.254 -21.982 -17.510 1.00 33.59 O ANISOU 2055 OE1 GLU C 8 4896 4599 3265 -302 298 638 O ATOM 2056 OE2 GLU C 8 -12.901 -23.284 -16.284 1.00 39.90 O ANISOU 2056 OE2 GLU C 8 5753 5211 4193 82 -132 627 O ATOM 0 H GLU C 8 -11.205 -19.461 -18.941 1.00 25.39 H new ATOM 0 HA GLU C 8 -10.283 -21.710 -19.895 1.00 25.58 H new ATOM 0 HB2 GLU C 8 -12.924 -20.833 -19.350 1.00 26.84 H new ATOM 0 HB3 GLU C 8 -12.707 -22.245 -19.975 1.00 26.84 H new ATOM 0 HG2 GLU C 8 -11.369 -22.905 -18.147 1.00 30.04 H new ATOM 0 HG3 GLU C 8 -11.408 -21.463 -17.556 1.00 30.04 H new ATOM 2057 N VAL C 9 -11.744 -19.879 -22.026 1.00 22.29 N ANISOU 2057 N VAL C 9 3539 2748 2181 -185 -140 -94 N ATOM 2058 CA VAL C 9 -11.834 -19.621 -23.451 1.00 21.88 C ANISOU 2058 CA VAL C 9 3270 2783 2261 -270 -216 -65 C ATOM 2059 C VAL C 9 -10.438 -19.585 -24.078 1.00 20.34 C ANISOU 2059 C VAL C 9 2965 2549 2211 -263 -336 -34 C ATOM 2060 O VAL C 9 -10.219 -20.180 -25.129 1.00 19.32 O ANISOU 2060 O VAL C 9 2547 2548 2245 -185 -328 -126 O ATOM 2061 CB VAL C 9 -12.594 -18.303 -23.737 1.00 21.00 C ANISOU 2061 CB VAL C 9 2979 2867 2133 -276 -164 -95 C ATOM 2062 CG1 VAL C 9 -12.413 -17.899 -25.183 1.00 20.20 C ANISOU 2062 CG1 VAL C 9 2786 2628 2261 -255 -249 -23 C ATOM 2063 CG2 VAL C 9 -14.098 -18.458 -23.409 1.00 21.92 C ANISOU 2063 CG2 VAL C 9 2913 2997 2418 -353 -241 -268 C ATOM 0 H VAL C 9 -12.060 -19.251 -21.531 1.00 22.29 H new ATOM 0 HA VAL C 9 -12.336 -20.346 -23.854 1.00 21.88 H new ATOM 0 HB VAL C 9 -12.227 -17.608 -23.169 1.00 21.00 H new ATOM 0 HG11 VAL C 9 -12.893 -17.073 -25.351 1.00 20.20 H new ATOM 0 HG12 VAL C 9 -11.470 -17.768 -25.367 1.00 20.20 H new ATOM 0 HG13 VAL C 9 -12.760 -18.597 -25.760 1.00 20.20 H new ATOM 0 HG21 VAL C 9 -14.557 -17.624 -23.594 1.00 21.92 H new ATOM 0 HG22 VAL C 9 -14.478 -19.164 -23.956 1.00 21.92 H new ATOM 0 HG23 VAL C 9 -14.203 -18.684 -22.472 1.00 21.92 H new ATOM 2064 N GLN C 10 -9.471 -18.925 -23.437 1.00 20.63 N ANISOU 2064 N GLN C 10 2931 2545 2361 -204 -497 -81 N ATOM 2065 CA GLN C 10 -8.077 -18.977 -23.985 1.00 20.44 C ANISOU 2065 CA GLN C 10 2719 2565 2479 -109 -619 -241 C ATOM 2066 C GLN C 10 -7.630 -20.435 -24.144 1.00 21.19 C ANISOU 2066 C GLN C 10 2920 2724 2407 -315 -571 -192 C ATOM 2067 O GLN C 10 -7.009 -20.774 -25.149 1.00 21.59 O ANISOU 2067 O GLN C 10 2896 2744 2560 -275 -591 -256 O ATOM 2068 CB GLN C 10 -7.068 -18.183 -23.101 1.00 23.24 C ANISOU 2068 CB GLN C 10 3409 2659 2761 -162 -680 -210 C ATOM 2069 CG GLN C 10 -7.369 -16.720 -23.068 1.00 24.84 C ANISOU 2069 CG GLN C 10 3118 3080 3240 -112 -464 -440 C ATOM 2070 CD GLN C 10 -6.211 -15.930 -22.556 1.00 29.67 C ANISOU 2070 CD GLN C 10 3618 3994 3659 -221 -572 -52 C ATOM 2071 OE1 GLN C 10 -5.671 -16.219 -21.511 1.00 29.57 O ANISOU 2071 OE1 GLN C 10 3878 3931 3426 54 -1160 -327 O ATOM 2072 NE2 GLN C 10 -5.808 -14.927 -23.324 1.00 32.81 N ANISOU 2072 NE2 GLN C 10 4962 3602 3900 -227 -311 -64 N ATOM 0 H GLN C 10 -9.574 -18.461 -22.721 1.00 20.63 H new ATOM 0 HA GLN C 10 -8.086 -18.550 -24.856 1.00 20.44 H new ATOM 0 HB2 GLN C 10 -7.087 -18.535 -22.197 1.00 23.24 H new ATOM 0 HB3 GLN C 10 -6.169 -18.318 -23.439 1.00 23.24 H new ATOM 0 HG2 GLN C 10 -7.599 -16.416 -23.960 1.00 24.84 H new ATOM 0 HG3 GLN C 10 -8.143 -16.561 -22.506 1.00 24.84 H new ATOM 0 HE21 GLN C 10 -6.220 -14.756 -24.059 1.00 32.81 H new ATOM 0 HE22 GLN C 10 -5.134 -14.448 -23.087 1.00 32.81 H new ATOM 2073 N GLY C 11 -7.833 -21.239 -23.100 1.00 20.69 N ANISOU 2073 N GLY C 11 2887 2635 2338 -320 -795 -113 N ATOM 2074 CA GLY C 11 -7.361 -22.604 -23.159 1.00 21.05 C ANISOU 2074 CA GLY C 11 3018 2676 2303 -229 -605 -119 C ATOM 2075 C GLY C 11 -8.066 -23.395 -24.238 1.00 20.33 C ANISOU 2075 C GLY C 11 2752 2684 2286 -212 -516 -69 C ATOM 2076 O GLY C 11 -7.420 -24.189 -24.947 1.00 20.84 O ANISOU 2076 O GLY C 11 2893 2611 2414 -191 -747 -116 O ATOM 0 H GLY C 11 -8.231 -21.015 -22.371 1.00 20.69 H new ATOM 0 HA2 GLY C 11 -6.406 -22.609 -23.326 1.00 21.05 H new ATOM 0 HA3 GLY C 11 -7.501 -23.032 -22.300 1.00 21.05 H new ATOM 2077 N LEU C 12 -9.391 -23.205 -24.342 1.00 18.67 N ANISOU 2077 N LEU C 12 2549 2436 2109 -263 -491 -1 N ATOM 2078 CA LEU C 12 -10.154 -23.975 -25.359 1.00 17.93 C ANISOU 2078 CA LEU C 12 2547 2255 2012 -289 -332 -110 C ATOM 2079 C LEU C 12 -9.728 -23.579 -26.768 1.00 16.47 C ANISOU 2079 C LEU C 12 1963 2175 2117 -343 -193 -10 C ATOM 2080 O LEU C 12 -9.594 -24.457 -27.654 1.00 16.12 O ANISOU 2080 O LEU C 12 1659 2263 2201 -341 -249 -99 O ATOM 2081 CB LEU C 12 -11.663 -23.762 -25.185 1.00 19.78 C ANISOU 2081 CB LEU C 12 2799 2493 2224 -315 -219 24 C ATOM 2082 CG LEU C 12 -12.304 -24.375 -23.924 1.00 19.93 C ANISOU 2082 CG LEU C 12 2445 2509 2618 -353 -306 -20 C ATOM 2083 CD1 LEU C 12 -13.667 -23.757 -23.597 1.00 22.82 C ANISOU 2083 CD1 LEU C 12 2497 3250 2921 -4 97 21 C ATOM 2084 CD2 LEU C 12 -12.415 -25.881 -24.185 1.00 23.89 C ANISOU 2084 CD2 LEU C 12 3722 2637 2718 -457 -278 93 C ATOM 0 H LEU C 12 -9.854 -22.663 -23.861 1.00 18.67 H new ATOM 0 HA LEU C 12 -9.958 -24.916 -25.229 1.00 17.93 H new ATOM 0 HB2 LEU C 12 -11.836 -22.808 -25.180 1.00 19.78 H new ATOM 0 HB3 LEU C 12 -12.113 -24.128 -25.963 1.00 19.78 H new ATOM 0 HG LEU C 12 -11.755 -24.192 -23.145 1.00 19.93 H new ATOM 0 HD11 LEU C 12 -14.028 -24.174 -22.799 1.00 22.82 H new ATOM 0 HD12 LEU C 12 -13.563 -22.805 -23.445 1.00 22.82 H new ATOM 0 HD13 LEU C 12 -14.274 -23.901 -24.340 1.00 22.82 H new ATOM 0 HD21 LEU C 12 -12.815 -26.314 -23.415 1.00 23.89 H new ATOM 0 HD22 LEU C 12 -12.969 -26.034 -24.966 1.00 23.89 H new ATOM 0 HD23 LEU C 12 -11.531 -26.249 -24.339 1.00 23.89 H new ATOM 2085 N AMET C 13 -9.576 -22.291 -27.018 0.60 15.82 N ANISOU 2085 N AMET C 13 1587 2207 2215 -362 -285 -79 N ATOM 2086 N BMET C 13 -9.600 -22.276 -26.982 0.40 16.40 N ANISOU 2086 N BMET C 13 1679 2271 2278 -299 -272 -23 N ATOM 2087 CA AMET C 13 -9.228 -21.915 -28.382 0.60 14.42 C ANISOU 2087 CA AMET C 13 1336 2067 2073 -314 -204 -60 C ATOM 2088 CA BMET C 13 -9.210 -21.765 -28.285 0.40 16.18 C ANISOU 2088 CA BMET C 13 1583 2306 2258 -231 -250 15 C ATOM 2089 C AMET C 13 -7.781 -22.291 -28.735 0.60 15.64 C ANISOU 2089 C AMET C 13 1458 2254 2229 -216 -306 28 C ATOM 2090 C BMET C 13 -7.814 -22.309 -28.677 0.40 16.51 C ANISOU 2090 C BMET C 13 1623 2312 2337 -173 -311 49 C ATOM 2091 O AMET C 13 -7.508 -22.653 -29.893 0.60 15.57 O ANISOU 2091 O AMET C 13 1304 2204 2405 -248 -412 -32 O ATOM 2092 O BMET C 13 -7.605 -22.806 -29.784 0.40 16.03 O ANISOU 2092 O BMET C 13 1447 2228 2416 -255 -324 41 O ATOM 2093 CB AMET C 13 -9.487 -20.412 -28.581 0.60 15.23 C ANISOU 2093 CB AMET C 13 1281 2283 2222 -334 -61 -65 C ATOM 2094 CB BMET C 13 -9.202 -20.219 -28.226 0.40 16.50 C ANISOU 2094 CB BMET C 13 1617 2293 2357 -123 -199 120 C ATOM 2095 CG AMET C 13 -10.949 -20.130 -28.418 0.60 13.99 C ANISOU 2095 CG AMET C 13 924 2133 2255 -407 -294 -405 C ATOM 2096 CG BMET C 13 -10.547 -19.589 -27.999 0.40 19.43 C ANISOU 2096 CG BMET C 13 2055 2802 2525 -156 -44 -80 C ATOM 2097 SD AMET C 13 -11.440 -18.383 -28.732 0.60 14.77 S ANISOU 2097 SD AMET C 13 1632 1980 1998 -177 -133 -215 S ATOM 2098 SD BMET C 13 -11.535 -19.615 -29.461 0.40 22.05 S ANISOU 2098 SD BMET C 13 1732 3907 2738 -45 99 192 S ATOM 2099 CE AMET C 13 -11.081 -18.252 -30.537 0.60 16.50 C ANISOU 2099 CE AMET C 13 1729 2180 2358 -180 259 84 C ATOM 2100 CE BMET C 13 -10.888 -18.249 -30.416 0.40 25.38 C ANISOU 2100 CE BMET C 13 2854 3275 3512 -61 -6 156 C ATOM 0 H AMET C 13 -9.663 -21.649 -26.452 0.60 16.40 H new ATOM 0 H BMET C 13 -9.735 -21.672 -26.385 0.40 16.40 H new ATOM 0 HA AMET C 13 -9.793 -22.416 -28.991 0.60 16.18 H new ATOM 0 HA BMET C 13 -9.842 -22.058 -28.960 0.40 16.18 H new ATOM 0 HB2AMET C 13 -8.975 -19.898 -27.937 0.60 16.50 H new ATOM 0 HB2BMET C 13 -8.604 -19.938 -27.516 0.40 16.50 H new ATOM 0 HB3AMET C 13 -9.191 -20.137 -29.463 0.60 16.50 H new ATOM 0 HB3BMET C 13 -8.836 -19.878 -29.057 0.40 16.50 H new ATOM 0 HG2AMET C 13 -11.445 -20.705 -29.021 0.60 19.43 H new ATOM 0 HG2BMET C 13 -11.009 -20.059 -27.288 0.40 19.43 H new ATOM 0 HG3AMET C 13 -11.213 -20.369 -27.516 0.60 19.43 H new ATOM 0 HG3BMET C 13 -10.430 -18.673 -27.704 0.40 19.43 H new ATOM 0 HE1AMET C 13 -11.585 -17.515 -30.915 0.60 25.38 H new ATOM 0 HE1BMET C 13 -11.586 -17.588 -30.550 0.40 25.38 H new ATOM 0 HE2AMET C 13 -10.133 -18.095 -30.668 0.60 25.38 H new ATOM 0 HE2BMET C 13 -10.147 -17.844 -29.940 0.40 25.38 H new ATOM 0 HE3AMET C 13 -11.336 -19.077 -30.979 0.60 25.38 H new ATOM 0 HE3BMET C 13 -10.580 -18.573 -31.277 0.40 25.38 H new ATOM 2101 N ALA C 14 -6.873 -22.291 -27.729 1.00 17.36 N ANISOU 2101 N ALA C 14 1758 2300 2535 -184 -336 -32 N ATOM 2102 CA ALA C 14 -5.552 -22.832 -27.971 1.00 19.18 C ANISOU 2102 CA ALA C 14 1945 2538 2802 -129 -409 -207 C ATOM 2103 C ALA C 14 -5.542 -24.333 -28.229 1.00 18.37 C ANISOU 2103 C ALA C 14 1840 2582 2555 -273 -572 -248 C ATOM 2104 O ALA C 14 -4.844 -24.804 -29.111 1.00 19.56 O ANISOU 2104 O ALA C 14 1959 2536 2935 -286 -573 -300 O ATOM 2105 CB ALA C 14 -4.591 -22.483 -26.844 1.00 21.16 C ANISOU 2105 CB ALA C 14 2490 2686 2864 -95 -476 -268 C ATOM 0 H AALA C 14 -7.012 -21.990 -26.935 0.60 17.36 H new ATOM 0 H BALA C 14 -6.988 -21.968 -26.941 0.40 17.36 H new ATOM 0 HA ALA C 14 -5.248 -22.408 -28.789 1.00 19.18 H new ATOM 0 HB1 ALA C 14 -3.717 -22.859 -27.035 1.00 21.16 H new ATOM 0 HB2 ALA C 14 -4.518 -21.519 -26.768 1.00 21.16 H new ATOM 0 HB3 ALA C 14 -4.924 -22.849 -26.010 1.00 21.16 H new ATOM 2106 N ARG C 15 -6.443 -25.044 -27.538 1.00 17.69 N ANISOU 2106 N ARG C 15 1808 2401 2512 -437 -713 -160 N ATOM 2107 CA ARG C 15 -6.553 -26.476 -27.746 1.00 18.97 C ANISOU 2107 CA ARG C 15 2473 2292 2440 -268 -568 -1 C ATOM 2108 C ARG C 15 -7.063 -26.736 -29.179 1.00 17.71 C ANISOU 2108 C ARG C 15 2278 2004 2444 -237 -546 -80 C ATOM 2109 O ARG C 15 -6.595 -27.628 -29.873 1.00 19.27 O ANISOU 2109 O ARG C 15 2585 2007 2728 -213 -484 -166 O ATOM 2110 CB ARG C 15 -7.553 -27.075 -26.765 1.00 20.63 C ANISOU 2110 CB ARG C 15 2830 2432 2576 -461 -405 6 C ATOM 2111 CG ARG C 15 -7.791 -28.589 -27.078 1.00 25.76 C ANISOU 2111 CG ARG C 15 3720 2721 3347 -415 -529 -63 C ATOM 2112 CD ARG C 15 -7.683 -29.540 -25.870 1.00 30.39 C ANISOU 2112 CD ARG C 15 4468 3299 3778 -335 -101 -15 C ATOM 2113 NE ARG C 15 -7.967 -30.961 -26.242 1.00 29.84 N ANISOU 2113 NE ARG C 15 4193 3401 3743 -463 151 -214 N ATOM 2114 CZ ARG C 15 -9.183 -31.399 -26.541 1.00 29.02 C ANISOU 2114 CZ ARG C 15 3723 3651 3651 35 183 -69 C ATOM 2115 NH1 ARG C 15 -10.229 -30.578 -26.496 1.00 32.76 N ANISOU 2115 NH1 ARG C 15 4223 4117 4106 286 459 95 N ATOM 2116 NH2 ARG C 15 -9.382 -32.639 -26.895 1.00 24.54 N ANISOU 2116 NH2 ARG C 15 2274 3303 3747 74 88 193 N ATOM 0 H ARG C 15 -6.986 -24.716 -26.957 1.00 17.69 H new ATOM 0 HA ARG C 15 -5.683 -26.882 -27.611 1.00 18.97 H new ATOM 0 HB2 ARG C 15 -7.224 -26.975 -25.858 1.00 20.63 H new ATOM 0 HB3 ARG C 15 -8.393 -26.593 -26.817 1.00 20.63 H new ATOM 0 HG2 ARG C 15 -8.673 -28.688 -27.470 1.00 25.76 H new ATOM 0 HG3 ARG C 15 -7.149 -28.869 -27.749 1.00 25.76 H new ATOM 0 HD2 ARG C 15 -6.792 -29.479 -25.491 1.00 30.39 H new ATOM 0 HD3 ARG C 15 -8.305 -29.257 -25.181 1.00 30.39 H new ATOM 0 HE ARG C 15 -7.313 -31.519 -26.263 1.00 29.84 H new ATOM 0 HH11 ARG C 15 -10.120 -29.755 -26.272 1.00 32.76 H new ATOM 0 HH12 ARG C 15 -11.014 -30.870 -26.691 1.00 32.76 H new ATOM 0 HH21 ARG C 15 -8.720 -33.186 -26.937 1.00 24.54 H new ATOM 0 HH22 ARG C 15 -10.176 -32.910 -27.086 1.00 24.54 H new ATOM 2117 N TYR C 16 -8.032 -25.911 -29.601 1.00 15.59 N ANISOU 2117 N TYR C 16 1517 2229 2174 -67 -220 8 N ATOM 2118 CA TYR C 16 -8.495 -26.071 -30.985 1.00 15.53 C ANISOU 2118 CA TYR C 16 1324 2140 2435 -72 -243 14 C ATOM 2119 C TYR C 16 -7.362 -25.977 -32.004 1.00 15.74 C ANISOU 2119 C TYR C 16 1341 2098 2539 -89 -412 -44 C ATOM 2120 O TYR C 16 -7.267 -26.813 -32.919 1.00 15.71 O ANISOU 2120 O TYR C 16 1385 1912 2670 -54 -286 -81 O ATOM 2121 CB TYR C 16 -9.563 -25.015 -31.255 1.00 15.67 C ANISOU 2121 CB TYR C 16 1161 2300 2490 25 -141 59 C ATOM 2122 CG TYR C 16 -9.951 -24.954 -32.715 1.00 14.32 C ANISOU 2122 CG TYR C 16 890 2271 2278 53 -307 -107 C ATOM 2123 CD1 TYR C 16 -11.020 -25.721 -33.228 1.00 16.67 C ANISOU 2123 CD1 TYR C 16 1013 2671 2647 128 -261 184 C ATOM 2124 CD2 TYR C 16 -9.348 -24.057 -33.617 1.00 17.19 C ANISOU 2124 CD2 TYR C 16 1799 2309 2422 231 -324 93 C ATOM 2125 CE1 TYR C 16 -11.322 -25.652 -34.581 1.00 14.96 C ANISOU 2125 CE1 TYR C 16 766 2505 2411 37 -271 12 C ATOM 2126 CE2 TYR C 16 -9.748 -23.977 -34.958 1.00 15.83 C ANISOU 2126 CE2 TYR C 16 930 2261 2824 44 -338 -1 C ATOM 2127 CZ TYR C 16 -10.725 -24.777 -35.413 1.00 16.06 C ANISOU 2127 CZ TYR C 16 1227 2314 2557 -168 -468 162 C ATOM 2128 OH TYR C 16 -11.045 -24.701 -36.759 1.00 17.15 O ANISOU 2128 OH TYR C 16 1650 2368 2497 -212 -306 27 O ATOM 0 H TYR C 16 -8.411 -25.294 -29.138 1.00 15.59 H new ATOM 0 HA TYR C 16 -8.864 -26.962 -31.087 1.00 15.53 H new ATOM 0 HB2 TYR C 16 -10.349 -25.209 -30.721 1.00 15.67 H new ATOM 0 HB3 TYR C 16 -9.235 -24.147 -30.973 1.00 15.67 H new ATOM 0 HD1 TYR C 16 -11.518 -26.268 -32.664 1.00 16.67 H new ATOM 0 HD2 TYR C 16 -8.665 -23.502 -33.315 1.00 17.19 H new ATOM 0 HE1 TYR C 16 -11.961 -26.232 -34.926 1.00 14.96 H new ATOM 0 HE2 TYR C 16 -9.337 -23.371 -35.531 1.00 15.83 H new ATOM 0 HH TYR C 16 -10.984 -23.904 -37.017 1.00 17.15 H new ATOM 2129 N ILE C 17 -6.500 -24.969 -31.855 1.00 15.57 N ANISOU 2129 N ILE C 17 1167 2034 2712 -236 -254 -18 N ATOM 2130 CA ILE C 17 -5.417 -24.856 -32.798 1.00 17.09 C ANISOU 2130 CA ILE C 17 1318 2040 3133 -230 -115 -64 C ATOM 2131 C ILE C 17 -4.452 -26.073 -32.719 1.00 16.48 C ANISOU 2131 C ILE C 17 1139 2207 2913 -156 -295 -61 C ATOM 2132 O ILE C 17 -4.065 -26.549 -33.725 1.00 18.31 O ANISOU 2132 O ILE C 17 1366 2334 3255 118 -417 -110 O ATOM 2133 CB ILE C 17 -4.573 -23.564 -32.522 1.00 18.06 C ANISOU 2133 CB ILE C 17 1176 2222 3463 -213 -54 -202 C ATOM 2134 CG1 ILE C 17 -5.469 -22.350 -32.823 1.00 21.65 C ANISOU 2134 CG1 ILE C 17 2354 2152 3719 267 84 -170 C ATOM 2135 CG2 ILE C 17 -3.339 -23.493 -33.377 1.00 20.69 C ANISOU 2135 CG2 ILE C 17 1670 2221 3967 -473 341 -170 C ATOM 2136 CD1 ILE C 17 -5.896 -22.258 -34.282 1.00 24.10 C ANISOU 2136 CD1 ILE C 17 2532 2847 3777 371 223 -50 C ATOM 0 H ILE C 17 -6.529 -24.369 -31.239 1.00 15.57 H new ATOM 0 HA ILE C 17 -5.823 -24.819 -33.678 1.00 17.09 H new ATOM 0 HB ILE C 17 -4.279 -23.576 -31.598 1.00 18.06 H new ATOM 0 HG12 ILE C 17 -6.260 -22.394 -32.264 1.00 21.65 H new ATOM 0 HG13 ILE C 17 -4.995 -21.539 -32.580 1.00 21.65 H new ATOM 0 HG21 ILE C 17 -2.850 -22.681 -33.173 1.00 20.69 H new ATOM 0 HG22 ILE C 17 -2.776 -24.262 -33.198 1.00 20.69 H new ATOM 0 HG23 ILE C 17 -3.593 -23.490 -34.313 1.00 20.69 H new ATOM 0 HD11 ILE C 17 -6.456 -21.476 -34.407 1.00 24.10 H new ATOM 0 HD12 ILE C 17 -5.110 -22.185 -34.846 1.00 24.10 H new ATOM 0 HD13 ILE C 17 -6.395 -23.054 -34.524 1.00 24.10 H new ATOM 2137 N GLU C 18 -4.204 -26.582 -31.519 1.00 17.96 N ANISOU 2137 N GLU C 18 1776 2019 3026 -77 -513 -90 N ATOM 2138 CA GLU C 18 -3.383 -27.774 -31.396 1.00 19.04 C ANISOU 2138 CA GLU C 18 1780 2424 3028 66 -372 -59 C ATOM 2139 C GLU C 18 -4.034 -28.964 -32.107 1.00 18.23 C ANISOU 2139 C GLU C 18 1661 2116 3150 34 -235 -62 C ATOM 2140 O GLU C 18 -3.330 -29.767 -32.755 1.00 19.62 O ANISOU 2140 O GLU C 18 1534 2451 3470 265 -446 -7 O ATOM 2141 CB GLU C 18 -3.165 -28.069 -29.936 1.00 22.08 C ANISOU 2141 CB GLU C 18 2287 2713 3389 244 -569 57 C ATOM 2142 CG GLU C 18 -2.021 -27.200 -29.278 1.00 28.36 C ANISOU 2142 CG GLU C 18 2751 3863 4161 -343 -285 -167 C ATOM 2143 CD GLU C 18 -0.748 -26.815 -30.161 1.00 34.53 C ANISOU 2143 CD GLU C 18 3542 4652 4924 -69 66 -49 C ATOM 2144 OE1 GLU C 18 -0.702 -25.672 -30.628 1.00 34.58 O ANISOU 2144 OE1 GLU C 18 2776 5225 5136 -354 -13 108 O ATOM 2145 OE2 GLU C 18 0.230 -27.599 -30.336 1.00 37.46 O ANISOU 2145 OE2 GLU C 18 3164 5270 5798 -205 -368 -281 O ATOM 0 H GLU C 18 -4.496 -26.259 -30.777 1.00 17.96 H new ATOM 0 HA GLU C 18 -2.526 -27.619 -31.823 1.00 19.04 H new ATOM 0 HB2 GLU C 18 -3.994 -27.916 -29.456 1.00 22.08 H new ATOM 0 HB3 GLU C 18 -2.947 -29.009 -29.833 1.00 22.08 H new ATOM 0 HG2 GLU C 18 -2.422 -26.374 -28.964 1.00 28.36 H new ATOM 0 HG3 GLU C 18 -1.703 -27.676 -28.495 1.00 28.36 H new ATOM 2146 N LEU C 19 -5.385 -29.092 -32.012 1.00 17.63 N ANISOU 2146 N LEU C 19 1665 2105 2926 -71 -311 23 N ATOM 2147 CA LEU C 19 -6.026 -30.228 -32.685 1.00 18.13 C ANISOU 2147 CA LEU C 19 1655 2151 3081 126 -302 -196 C ATOM 2148 C LEU C 19 -5.991 -30.041 -34.206 1.00 16.17 C ANISOU 2148 C LEU C 19 947 2134 3063 143 -368 -182 C ATOM 2149 O LEU C 19 -5.919 -31.011 -34.943 1.00 18.73 O ANISOU 2149 O LEU C 19 1747 2087 3280 347 -377 -331 O ATOM 2150 CB LEU C 19 -7.468 -30.413 -32.216 1.00 17.67 C ANISOU 2150 CB LEU C 19 1465 2020 3229 205 -429 -49 C ATOM 2151 CG LEU C 19 -7.603 -30.679 -30.707 1.00 18.26 C ANISOU 2151 CG LEU C 19 1577 2189 3169 293 -278 -17 C ATOM 2152 CD1 LEU C 19 -9.111 -30.702 -30.354 1.00 18.12 C ANISOU 2152 CD1 LEU C 19 1257 2107 3520 308 -232 -71 C ATOM 2153 CD2 LEU C 19 -6.889 -31.956 -30.354 1.00 19.35 C ANISOU 2153 CD2 LEU C 19 1560 2455 3337 881 -10 -24 C ATOM 0 H LEU C 19 -5.910 -28.560 -31.587 1.00 17.63 H new ATOM 0 HA LEU C 19 -5.527 -31.026 -32.451 1.00 18.13 H new ATOM 0 HB2 LEU C 19 -7.977 -29.619 -32.442 1.00 17.67 H new ATOM 0 HB3 LEU C 19 -7.865 -31.152 -32.703 1.00 17.67 H new ATOM 0 HG LEU C 19 -7.186 -29.979 -30.181 1.00 18.26 H new ATOM 0 HD11 LEU C 19 -9.219 -30.869 -29.405 1.00 18.12 H new ATOM 0 HD12 LEU C 19 -9.509 -29.847 -30.579 1.00 18.12 H new ATOM 0 HD13 LEU C 19 -9.551 -31.405 -30.857 1.00 18.12 H new ATOM 0 HD21 LEU C 19 -6.975 -32.123 -29.402 1.00 19.35 H new ATOM 0 HD22 LEU C 19 -7.281 -32.693 -30.848 1.00 19.35 H new ATOM 0 HD23 LEU C 19 -5.950 -31.876 -30.584 1.00 19.35 H new ATOM 2154 N VAL C 20 -6.193 -28.793 -34.674 1.00 16.96 N ANISOU 2154 N VAL C 20 1556 2039 2847 43 -246 66 N ATOM 2155 CA VAL C 20 -6.048 -28.577 -36.126 1.00 18.94 C ANISOU 2155 CA VAL C 20 2078 2169 2950 275 -196 -177 C ATOM 2156 C VAL C 20 -4.610 -28.930 -36.563 1.00 19.63 C ANISOU 2156 C VAL C 20 2057 2279 3119 175 -171 -178 C ATOM 2157 O VAL C 20 -4.405 -29.587 -37.610 1.00 20.65 O ANISOU 2157 O VAL C 20 1656 2601 3586 98 -237 -409 O ATOM 2158 CB VAL C 20 -6.411 -27.127 -36.499 1.00 19.23 C ANISOU 2158 CB VAL C 20 2200 2298 2805 345 -399 151 C ATOM 2159 CG1 VAL C 20 -6.110 -26.847 -37.940 1.00 20.25 C ANISOU 2159 CG1 VAL C 20 1931 2630 3131 117 -9 -47 C ATOM 2160 CG2 VAL C 20 -7.901 -26.960 -36.281 1.00 19.54 C ANISOU 2160 CG2 VAL C 20 2220 2386 2817 470 -228 -293 C ATOM 0 H VAL C 20 -6.400 -28.103 -34.204 1.00 16.96 H new ATOM 0 HA VAL C 20 -6.663 -29.160 -36.599 1.00 18.94 H new ATOM 0 HB VAL C 20 -5.892 -26.516 -35.953 1.00 19.23 H new ATOM 0 HG11 VAL C 20 -6.347 -25.930 -38.148 1.00 20.25 H new ATOM 0 HG12 VAL C 20 -5.164 -26.981 -38.105 1.00 20.25 H new ATOM 0 HG13 VAL C 20 -6.624 -27.449 -38.501 1.00 20.25 H new ATOM 0 HG21 VAL C 20 -8.162 -26.054 -36.508 1.00 19.54 H new ATOM 0 HG22 VAL C 20 -8.383 -27.585 -36.845 1.00 19.54 H new ATOM 0 HG23 VAL C 20 -8.114 -27.134 -35.351 1.00 19.54 H new ATOM 2161 N ASP C 21 -3.616 -28.490 -35.775 1.00 18.71 N ANISOU 2161 N ASP C 21 1731 2221 3156 187 -111 -123 N ATOM 2162 CA ASP C 21 -2.212 -28.717 -36.121 1.00 20.13 C ANISOU 2162 CA ASP C 21 2023 2063 3563 235 -95 -165 C ATOM 2163 C ASP C 21 -1.894 -30.206 -36.231 1.00 20.70 C ANISOU 2163 C ASP C 21 1834 2333 3696 303 -166 -166 C ATOM 2164 O ASP C 21 -1.174 -30.607 -37.138 1.00 25.90 O ANISOU 2164 O ASP C 21 2819 2747 4273 104 187 -340 O ATOM 2165 CB ASP C 21 -1.338 -28.035 -35.090 1.00 21.13 C ANISOU 2165 CB ASP C 21 1887 2438 3702 177 -192 -98 C ATOM 2166 CG ASP C 21 0.166 -28.167 -35.411 1.00 23.38 C ANISOU 2166 CG ASP C 21 2214 2934 3733 421 -188 84 C ATOM 2167 OD1 ASP C 21 0.558 -27.658 -36.465 1.00 23.39 O ANISOU 2167 OD1 ASP C 21 2013 2990 3882 471 40 63 O ATOM 2168 OD2 ASP C 21 0.959 -28.750 -34.615 1.00 29.71 O ANISOU 2168 OD2 ASP C 21 2822 4219 4247 410 -177 237 O ATOM 0 H ASP C 21 -3.738 -28.060 -35.040 1.00 18.71 H new ATOM 0 HA ASP C 21 -2.033 -28.335 -36.994 1.00 20.13 H new ATOM 0 HB2 ASP C 21 -1.574 -27.095 -35.041 1.00 21.13 H new ATOM 0 HB3 ASP C 21 -1.514 -28.418 -34.216 1.00 21.13 H new ATOM 2169 N VAL C 22 -2.464 -31.036 -35.371 1.00 20.16 N ANISOU 2169 N VAL C 22 1631 2159 3870 180 -257 -104 N ATOM 2170 CA VAL C 22 -2.161 -32.487 -35.555 1.00 23.60 C ANISOU 2170 CA VAL C 22 2303 2494 4167 224 -138 -147 C ATOM 2171 C VAL C 22 -3.109 -33.142 -36.529 1.00 23.19 C ANISOU 2171 C VAL C 22 2039 2437 4334 279 -12 -286 C ATOM 2172 O VAL C 22 -2.893 -34.262 -36.983 1.00 25.42 O ANISOU 2172 O VAL C 22 2322 2455 4879 421 -9 -505 O ATOM 2173 CB VAL C 22 -2.071 -33.283 -34.271 1.00 26.69 C ANISOU 2173 CB VAL C 22 2588 3324 4228 -68 -31 -50 C ATOM 2174 CG1 VAL C 22 -0.911 -32.838 -33.417 1.00 32.37 C ANISOU 2174 CG1 VAL C 22 3711 3915 4671 -116 -333 -100 C ATOM 2175 CG2 VAL C 22 -3.386 -33.305 -33.502 1.00 24.27 C ANISOU 2175 CG2 VAL C 22 2434 2723 4064 448 -83 34 C ATOM 0 H VAL C 22 -2.987 -30.825 -34.722 1.00 20.16 H new ATOM 0 HA VAL C 22 -1.268 -32.500 -35.932 1.00 23.60 H new ATOM 0 HB VAL C 22 -1.896 -34.203 -34.525 1.00 26.69 H new ATOM 0 HG11 VAL C 22 -0.884 -33.368 -32.605 1.00 32.37 H new ATOM 0 HG12 VAL C 22 -0.083 -32.957 -33.908 1.00 32.37 H new ATOM 0 HG13 VAL C 22 -1.018 -31.902 -33.188 1.00 32.37 H new ATOM 0 HG21 VAL C 22 -3.278 -33.825 -32.690 1.00 24.27 H new ATOM 0 HG22 VAL C 22 -3.642 -32.398 -33.272 1.00 24.27 H new ATOM 0 HG23 VAL C 22 -4.077 -33.706 -34.053 1.00 24.27 H new ATOM 2176 N GLY C 23 -4.263 -32.534 -36.740 1.00 21.96 N ANISOU 2176 N GLY C 23 2011 2336 3996 444 -166 -405 N ATOM 2177 CA GLY C 23 -5.199 -33.049 -37.699 1.00 22.09 C ANISOU 2177 CA GLY C 23 2106 2459 3825 -13 -133 -237 C ATOM 2178 C GLY C 23 -6.114 -34.099 -37.132 1.00 19.80 C ANISOU 2178 C GLY C 23 1593 2530 3399 208 -22 -239 C ATOM 2179 O GLY C 23 -6.461 -35.065 -37.861 1.00 22.50 O ANISOU 2179 O GLY C 23 2153 2412 3983 113 -48 -501 O ATOM 0 H GLY C 23 -4.518 -31.820 -36.334 1.00 21.96 H new ATOM 0 HA2 GLY C 23 -5.733 -32.317 -38.046 1.00 22.09 H new ATOM 0 HA3 GLY C 23 -4.711 -33.425 -38.448 1.00 22.09 H new ATOM 2180 N ASP C 24 -6.424 -33.988 -35.841 1.00 20.60 N ANISOU 2180 N ASP C 24 1686 2667 3474 210 3 -224 N ATOM 2181 CA ASP C 24 -7.330 -34.973 -35.189 1.00 20.24 C ANISOU 2181 CA ASP C 24 1638 2855 3196 250 -81 -128 C ATOM 2182 C ASP C 24 -8.794 -34.595 -35.361 1.00 19.10 C ANISOU 2182 C ASP C 24 1458 2716 3081 341 26 -309 C ATOM 2183 O ASP C 24 -9.386 -33.862 -34.565 1.00 18.71 O ANISOU 2183 O ASP C 24 1466 2513 3127 134 -243 -357 O ATOM 2184 CB ASP C 24 -6.975 -35.104 -33.713 1.00 20.38 C ANISOU 2184 CB ASP C 24 1669 2970 3103 260 -145 -102 C ATOM 2185 CG ASP C 24 -7.651 -36.306 -33.068 1.00 22.61 C ANISOU 2185 CG ASP C 24 2380 2804 3407 242 -154 -274 C ATOM 2186 OD1 ASP C 24 -8.761 -36.720 -33.511 1.00 23.11 O ANISOU 2186 OD1 ASP C 24 1929 2817 4032 441 -172 -400 O ATOM 2187 OD2 ASP C 24 -7.141 -36.823 -32.074 1.00 22.29 O ANISOU 2187 OD2 ASP C 24 1642 3158 3669 344 27 -46 O ATOM 0 H ASP C 24 -6.133 -33.366 -35.323 1.00 20.60 H new ATOM 0 HA ASP C 24 -7.205 -35.831 -35.624 1.00 20.24 H new ATOM 0 HB2 ASP C 24 -6.013 -35.186 -33.619 1.00 20.38 H new ATOM 0 HB3 ASP C 24 -7.238 -34.296 -33.245 1.00 20.38 H new ATOM 2188 N ILE C 25 -9.323 -35.092 -36.468 1.00 20.26 N ANISOU 2188 N ILE C 25 1541 2955 3202 492 -116 -491 N ATOM 2189 CA ILE C 25 -10.681 -34.683 -36.879 1.00 20.18 C ANISOU 2189 CA ILE C 25 1648 2732 3286 381 -11 -472 C ATOM 2190 C ILE C 25 -11.728 -35.005 -35.846 1.00 19.76 C ANISOU 2190 C ILE C 25 1954 2363 3188 -85 -242 -550 C ATOM 2191 O ILE C 25 -12.549 -34.158 -35.470 1.00 19.74 O ANISOU 2191 O ILE C 25 1898 2390 3210 147 -357 -616 O ATOM 2192 CB ILE C 25 -11.035 -35.374 -38.206 1.00 21.70 C ANISOU 2192 CB ILE C 25 1813 3092 3338 436 -165 -390 C ATOM 2193 CG1 ILE C 25 -10.068 -34.944 -39.307 1.00 25.05 C ANISOU 2193 CG1 ILE C 25 2769 3688 3058 81 -271 -405 C ATOM 2194 CG2 ILE C 25 -12.448 -35.091 -38.543 1.00 21.20 C ANISOU 2194 CG2 ILE C 25 1387 3321 3346 181 -38 -234 C ATOM 2195 CD1 ILE C 25 -9.874 -33.575 -39.505 1.00 31.56 C ANISOU 2195 CD1 ILE C 25 3737 4207 4045 -76 193 -192 C ATOM 0 H ILE C 25 -8.934 -35.653 -36.991 1.00 20.26 H new ATOM 0 HA ILE C 25 -10.675 -33.719 -36.983 1.00 20.18 H new ATOM 0 HB ILE C 25 -10.940 -36.335 -38.117 1.00 21.70 H new ATOM 0 HG12 ILE C 25 -9.204 -35.343 -39.118 1.00 25.05 H new ATOM 0 HG13 ILE C 25 -10.380 -35.325 -40.143 1.00 25.05 H new ATOM 0 HG21 ILE C 25 -12.675 -35.526 -39.380 1.00 21.20 H new ATOM 0 HG22 ILE C 25 -13.023 -35.428 -37.838 1.00 21.20 H new ATOM 0 HG23 ILE C 25 -12.574 -34.133 -38.632 1.00 21.20 H new ATOM 0 HD11 ILE C 25 -9.242 -33.439 -40.228 1.00 31.56 H new ATOM 0 HD12 ILE C 25 -10.720 -33.158 -39.733 1.00 31.56 H new ATOM 0 HD13 ILE C 25 -9.526 -33.176 -38.692 1.00 31.56 H new ATOM 2196 N GLU C 26 -11.639 -36.182 -35.275 1.00 19.64 N ANISOU 2196 N GLU C 26 1858 2317 3287 153 -362 -278 N ATOM 2197 CA GLU C 26 -12.665 -36.581 -34.327 1.00 22.00 C ANISOU 2197 CA GLU C 26 2373 2415 3570 -81 -143 -187 C ATOM 2198 C GLU C 26 -12.572 -35.731 -33.046 1.00 20.42 C ANISOU 2198 C GLU C 26 1936 2415 3407 39 -91 -188 C ATOM 2199 O GLU C 26 -13.609 -35.344 -32.513 1.00 20.59 O ANISOU 2199 O GLU C 26 1913 2365 3544 -6 -134 -315 O ATOM 2200 CB GLU C 26 -12.655 -38.096 -34.047 1.00 24.15 C ANISOU 2200 CB GLU C 26 2613 2683 3880 167 -119 -230 C ATOM 2201 CG GLU C 26 -12.983 -38.900 -35.312 1.00 26.91 C ANISOU 2201 CG GLU C 26 2961 3082 4180 8 -119 -282 C ATOM 2202 CD GLU C 26 -12.864 -40.411 -35.213 1.00 27.52 C ANISOU 2202 CD GLU C 26 2654 3368 4434 -72 24 -277 C ATOM 2203 OE1 GLU C 26 -12.696 -41.002 -34.107 1.00 33.70 O ANISOU 2203 OE1 GLU C 26 3575 4375 4855 171 -124 -32 O ATOM 2204 OE2 GLU C 26 -13.057 -41.018 -36.310 1.00 35.21 O ANISOU 2204 OE2 GLU C 26 3875 4509 4993 -92 115 -794 O ATOM 0 H GLU C 26 -11.014 -36.756 -35.412 1.00 19.64 H new ATOM 0 HA GLU C 26 -13.529 -36.406 -34.731 1.00 22.00 H new ATOM 0 HB2 GLU C 26 -11.784 -38.359 -33.711 1.00 24.15 H new ATOM 0 HB3 GLU C 26 -13.301 -38.303 -33.353 1.00 24.15 H new ATOM 0 HG2 GLU C 26 -13.890 -38.685 -35.580 1.00 26.91 H new ATOM 0 HG3 GLU C 26 -12.398 -38.597 -36.023 1.00 26.91 H new ATOM 2205 N ALA C 27 -11.348 -35.360 -32.645 1.00 18.07 N ANISOU 2205 N ALA C 27 1425 2219 3220 6 -274 -80 N ATOM 2206 CA ALA C 27 -11.202 -34.527 -31.465 1.00 17.59 C ANISOU 2206 CA ALA C 27 1277 2127 3276 200 -371 -1 C ATOM 2207 C ALA C 27 -11.705 -33.088 -31.771 1.00 17.36 C ANISOU 2207 C ALA C 27 1624 2097 2875 70 -322 47 C ATOM 2208 O ALA C 27 -12.276 -32.457 -30.891 1.00 17.33 O ANISOU 2208 O ALA C 27 1459 2281 2843 -171 -172 -8 O ATOM 2209 CB ALA C 27 -9.744 -34.491 -30.988 1.00 18.41 C ANISOU 2209 CB ALA C 27 1182 2391 3419 215 -271 148 C ATOM 0 H ALA C 27 -10.614 -35.577 -33.036 1.00 18.07 H new ATOM 0 HA ALA C 27 -11.738 -34.909 -30.753 1.00 17.59 H new ATOM 0 HB1 ALA C 27 -9.675 -33.929 -30.200 1.00 18.41 H new ATOM 0 HB2 ALA C 27 -9.452 -35.390 -30.770 1.00 18.41 H new ATOM 0 HB3 ALA C 27 -9.182 -34.131 -31.692 1.00 18.41 H new ATOM 2210 N ILE C 28 -11.390 -32.589 -32.960 1.00 16.39 N ANISOU 2210 N ILE C 28 1541 1956 2730 -82 -338 55 N ATOM 2211 CA ILE C 28 -11.896 -31.260 -33.291 1.00 16.15 C ANISOU 2211 CA ILE C 28 1315 2192 2629 88 -163 -20 C ATOM 2212 C ILE C 28 -13.407 -31.260 -33.260 1.00 15.94 C ANISOU 2212 C ILE C 28 1608 1820 2626 155 38 -106 C ATOM 2213 O ILE C 28 -14.061 -30.356 -32.710 1.00 15.98 O ANISOU 2213 O ILE C 28 1307 2063 2700 192 -146 -183 O ATOM 2214 CB ILE C 28 -11.455 -30.860 -34.696 1.00 16.10 C ANISOU 2214 CB ILE C 28 1122 2309 2687 151 -220 131 C ATOM 2215 CG1 ILE C 28 -9.945 -30.702 -34.790 1.00 15.97 C ANISOU 2215 CG1 ILE C 28 432 2746 2888 -224 -402 47 C ATOM 2216 CG2 ILE C 28 -12.268 -29.574 -35.218 1.00 17.14 C ANISOU 2216 CG2 ILE C 28 1312 2194 3005 83 -58 -18 C ATOM 2217 CD1 ILE C 28 -9.509 -30.677 -36.227 1.00 20.18 C ANISOU 2217 CD1 ILE C 28 1018 3586 3061 -351 -131 281 C ATOM 0 H ILE C 28 -10.912 -32.976 -33.561 1.00 16.39 H new ATOM 0 HA ILE C 28 -11.544 -30.633 -32.640 1.00 16.15 H new ATOM 0 HB ILE C 28 -11.679 -31.585 -35.300 1.00 16.10 H new ATOM 0 HG12 ILE C 28 -9.672 -29.883 -34.349 1.00 15.97 H new ATOM 0 HG13 ILE C 28 -9.508 -31.433 -34.326 1.00 15.97 H new ATOM 0 HG21 ILE C 28 -11.968 -29.342 -36.111 1.00 17.14 H new ATOM 0 HG22 ILE C 28 -13.216 -29.777 -35.238 1.00 17.14 H new ATOM 0 HG23 ILE C 28 -12.110 -28.827 -34.620 1.00 17.14 H new ATOM 0 HD11 ILE C 28 -8.545 -30.576 -36.271 1.00 20.18 H new ATOM 0 HD12 ILE C 28 -9.767 -31.507 -36.658 1.00 20.18 H new ATOM 0 HD13 ILE C 28 -9.933 -29.932 -36.681 1.00 20.18 H new ATOM 2218 N VAL C 29 -13.982 -32.271 -33.881 1.00 15.59 N ANISOU 2218 N VAL C 29 1128 2141 2654 110 -145 -224 N ATOM 2219 CA VAL C 29 -15.436 -32.283 -33.941 1.00 17.11 C ANISOU 2219 CA VAL C 29 1506 2253 2740 6 -4 -85 C ATOM 2220 C VAL C 29 -16.120 -32.346 -32.579 1.00 17.40 C ANISOU 2220 C VAL C 29 1820 1990 2801 -304 -113 -266 C ATOM 2221 O VAL C 29 -17.166 -31.719 -32.324 1.00 17.59 O ANISOU 2221 O VAL C 29 1704 2213 2766 -156 -119 -173 O ATOM 2222 CB VAL C 29 -15.897 -33.454 -34.874 1.00 17.05 C ANISOU 2222 CB VAL C 29 944 2919 2615 112 -181 -476 C ATOM 2223 CG1 VAL C 29 -17.340 -33.632 -34.807 1.00 20.71 C ANISOU 2223 CG1 VAL C 29 815 3607 3444 -155 -218 -438 C ATOM 2224 CG2 VAL C 29 -15.587 -33.074 -36.268 1.00 19.34 C ANISOU 2224 CG2 VAL C 29 1372 3170 2803 -260 -292 -281 C ATOM 0 H VAL C 29 -13.578 -32.930 -34.258 1.00 15.59 H new ATOM 0 HA VAL C 29 -15.716 -31.431 -34.311 1.00 17.11 H new ATOM 0 HB VAL C 29 -15.448 -34.267 -34.596 1.00 17.05 H new ATOM 0 HG11 VAL C 29 -17.604 -34.360 -35.391 1.00 20.71 H new ATOM 0 HG12 VAL C 29 -17.599 -33.839 -33.895 1.00 20.71 H new ATOM 0 HG13 VAL C 29 -17.780 -32.815 -35.090 1.00 20.71 H new ATOM 0 HG21 VAL C 29 -15.864 -33.785 -36.867 1.00 19.34 H new ATOM 0 HG22 VAL C 29 -16.061 -32.258 -36.494 1.00 19.34 H new ATOM 0 HG23 VAL C 29 -14.632 -32.929 -36.359 1.00 19.34 H new ATOM 2225 N GLN C 30 -15.488 -33.068 -31.683 1.00 17.66 N ANISOU 2225 N GLN C 30 1901 2117 2689 -329 -197 -35 N ATOM 2226 CA GLN C 30 -15.944 -33.132 -30.319 1.00 18.76 C ANISOU 2226 CA GLN C 30 2033 2260 2833 -261 -221 -68 C ATOM 2227 C GLN C 30 -15.943 -31.816 -29.578 1.00 17.87 C ANISOU 2227 C GLN C 30 1954 2235 2600 -153 59 -82 C ATOM 2228 O GLN C 30 -16.685 -31.629 -28.583 1.00 19.35 O ANISOU 2228 O GLN C 30 1968 2486 2895 -400 -24 -311 O ATOM 2229 CB GLN C 30 -15.173 -34.257 -29.558 1.00 20.06 C ANISOU 2229 CB GLN C 30 2125 2457 3039 -309 -257 202 C ATOM 2230 CG GLN C 30 -15.635 -34.512 -28.186 1.00 26.01 C ANISOU 2230 CG GLN C 30 3160 3367 3355 -112 -60 -198 C ATOM 2231 CD GLN C 30 -17.110 -34.901 -28.092 1.00 30.00 C ANISOU 2231 CD GLN C 30 3608 3885 3905 -416 40 48 C ATOM 2232 OE1 GLN C 30 -17.669 -35.523 -29.002 1.00 33.85 O ANISOU 2232 OE1 GLN C 30 5102 3622 4135 -225 -76 44 O ATOM 2233 NE2 GLN C 30 -17.745 -34.537 -26.983 1.00 33.22 N ANISOU 2233 NE2 GLN C 30 4351 4089 4181 -151 114 -147 N ATOM 0 H GLN C 30 -14.784 -33.534 -31.847 1.00 17.66 H new ATOM 0 HA GLN C 30 -16.886 -33.359 -30.354 1.00 18.76 H new ATOM 0 HB2 GLN C 30 -15.245 -35.080 -30.067 1.00 20.06 H new ATOM 0 HB3 GLN C 30 -14.232 -34.022 -29.529 1.00 20.06 H new ATOM 0 HG2 GLN C 30 -15.097 -35.221 -27.800 1.00 26.01 H new ATOM 0 HG3 GLN C 30 -15.484 -33.717 -27.650 1.00 26.01 H new ATOM 0 HE21 GLN C 30 -17.325 -34.105 -26.369 1.00 33.22 H new ATOM 0 HE22 GLN C 30 -18.576 -34.734 -26.879 1.00 33.22 H new ATOM 2234 N MET C 31 -15.088 -30.879 -29.991 1.00 17.10 N ANISOU 2234 N MET C 31 1857 2026 2613 -114 -284 38 N ATOM 2235 CA MET C 31 -15.149 -29.585 -29.357 1.00 17.95 C ANISOU 2235 CA MET C 31 1871 2232 2718 -302 -291 -12 C ATOM 2236 C MET C 31 -16.382 -28.754 -29.691 1.00 17.04 C ANISOU 2236 C MET C 31 1906 2075 2494 -296 -294 -84 C ATOM 2237 O MET C 31 -16.660 -27.763 -29.007 1.00 17.34 O ANISOU 2237 O MET C 31 1610 2400 2576 -87 -55 -154 O ATOM 2238 CB MET C 31 -13.892 -28.735 -29.768 1.00 18.45 C ANISOU 2238 CB MET C 31 2009 2269 2729 -212 -333 44 C ATOM 2239 CG MET C 31 -12.619 -29.291 -29.246 1.00 18.39 C ANISOU 2239 CG MET C 31 1125 2730 3132 -400 -257 -162 C ATOM 2240 SD MET C 31 -11.285 -28.068 -29.347 1.00 20.71 S ANISOU 2240 SD MET C 31 1887 2699 3282 -483 30 -398 S ATOM 2241 CE MET C 31 -11.793 -26.914 -28.056 1.00 22.01 C ANISOU 2241 CE MET C 31 2081 2762 3518 -833 149 -539 C ATOM 0 H MET C 31 -14.496 -30.973 -30.607 1.00 17.10 H new ATOM 0 HA MET C 31 -15.183 -29.780 -28.407 1.00 17.95 H new ATOM 0 HB2 MET C 31 -13.844 -28.685 -30.736 1.00 18.45 H new ATOM 0 HB3 MET C 31 -14.001 -27.828 -29.442 1.00 18.45 H new ATOM 0 HG2 MET C 31 -12.738 -29.569 -28.324 1.00 18.39 H new ATOM 0 HG3 MET C 31 -12.376 -30.082 -29.752 1.00 18.39 H new ATOM 0 HE1 MET C 31 -12.057 -26.072 -28.460 1.00 22.01 H new ATOM 0 HE2 MET C 31 -12.543 -27.286 -27.566 1.00 22.01 H new ATOM 0 HE3 MET C 31 -11.053 -26.762 -27.448 1.00 22.01 H new ATOM 2242 N TYR C 32 -17.109 -29.120 -30.754 1.00 16.43 N ANISOU 2242 N TYR C 32 1355 2244 2644 -291 -346 -48 N ATOM 2243 CA TYR C 32 -18.278 -28.396 -31.191 1.00 15.92 C ANISOU 2243 CA TYR C 32 1431 2147 2468 -119 -206 -73 C ATOM 2244 C TYR C 32 -19.509 -28.957 -30.526 1.00 18.65 C ANISOU 2244 C TYR C 32 2264 2132 2689 -351 -88 -207 C ATOM 2245 O TYR C 32 -19.604 -30.159 -30.239 1.00 19.00 O ANISOU 2245 O TYR C 32 1966 2154 3097 -369 -83 -189 O ATOM 2246 CB TYR C 32 -18.438 -28.510 -32.717 1.00 16.96 C ANISOU 2246 CB TYR C 32 1647 2213 2583 -320 -124 -48 C ATOM 2247 CG TYR C 32 -17.514 -27.687 -33.506 1.00 15.56 C ANISOU 2247 CG TYR C 32 1454 2169 2286 -161 3 -151 C ATOM 2248 CD1 TYR C 32 -17.886 -26.374 -33.843 1.00 15.67 C ANISOU 2248 CD1 TYR C 32 1372 2175 2407 -20 -173 -43 C ATOM 2249 CD2 TYR C 32 -16.269 -28.148 -33.924 1.00 15.99 C ANISOU 2249 CD2 TYR C 32 1126 2366 2583 -333 -287 -370 C ATOM 2250 CE1 TYR C 32 -17.100 -25.566 -34.590 1.00 15.27 C ANISOU 2250 CE1 TYR C 32 1074 2279 2448 -58 -95 -52 C ATOM 2251 CE2 TYR C 32 -15.372 -27.304 -34.667 1.00 16.62 C ANISOU 2251 CE2 TYR C 32 977 2364 2971 -126 -259 -419 C ATOM 2252 CZ TYR C 32 -15.850 -26.024 -35.021 1.00 17.15 C ANISOU 2252 CZ TYR C 32 1363 2392 2758 -504 -213 -439 C ATOM 2253 OH TYR C 32 -15.008 -25.185 -35.757 1.00 18.26 O ANISOU 2253 OH TYR C 32 989 2841 3107 -474 -77 -156 O ATOM 0 H TYR C 32 -16.924 -29.806 -31.239 1.00 16.43 H new ATOM 0 HA TYR C 32 -18.169 -27.463 -30.947 1.00 15.92 H new ATOM 0 HB2 TYR C 32 -18.319 -29.438 -32.972 1.00 16.96 H new ATOM 0 HB3 TYR C 32 -19.347 -28.265 -32.952 1.00 16.96 H new ATOM 0 HD1 TYR C 32 -18.703 -26.049 -33.541 1.00 15.67 H new ATOM 0 HD2 TYR C 32 -16.012 -29.018 -33.719 1.00 15.99 H new ATOM 0 HE1 TYR C 32 -17.388 -24.711 -34.816 1.00 15.27 H new ATOM 0 HE2 TYR C 32 -14.518 -27.588 -34.903 1.00 16.62 H new ATOM 0 HH TYR C 32 -14.482 -25.650 -36.218 1.00 18.26 H new ATOM 2254 N ALA C 33 -20.472 -28.066 -30.277 1.00 17.51 N ANISOU 2254 N ALA C 33 1485 2240 2926 -586 -358 -228 N ATOM 2255 CA ALA C 33 -21.774 -28.535 -29.859 1.00 18.86 C ANISOU 2255 CA ALA C 33 1615 2483 3067 -298 -91 -338 C ATOM 2256 C ALA C 33 -22.335 -29.402 -30.973 1.00 18.84 C ANISOU 2256 C ALA C 33 1793 2416 2947 -507 35 -254 C ATOM 2257 O ALA C 33 -21.947 -29.279 -32.132 1.00 18.63 O ANISOU 2257 O ALA C 33 1478 2544 3053 -623 -171 -281 O ATOM 2258 CB ALA C 33 -22.690 -27.354 -29.658 1.00 19.52 C ANISOU 2258 CB ALA C 33 1480 2649 3288 -330 248 -537 C ATOM 0 H ALA C 33 -20.388 -27.213 -30.344 1.00 17.51 H new ATOM 0 HA ALA C 33 -21.703 -29.035 -29.031 1.00 18.86 H new ATOM 0 HB1 ALA C 33 -23.564 -27.666 -29.377 1.00 19.52 H new ATOM 0 HB2 ALA C 33 -22.321 -26.771 -28.976 1.00 19.52 H new ATOM 0 HB3 ALA C 33 -22.774 -26.864 -30.491 1.00 19.52 H new ATOM 2259 N ASP C 34 -23.262 -30.313 -30.619 1.00 19.37 N ANISOU 2259 N ASP C 34 1712 2554 3091 -584 7 -197 N ATOM 2260 CA ASP C 34 -23.713 -31.303 -31.625 1.00 19.38 C ANISOU 2260 CA ASP C 34 1675 2593 3093 -604 17 -259 C ATOM 2261 C ASP C 34 -24.402 -30.638 -32.823 1.00 20.86 C ANISOU 2261 C ASP C 34 1659 2883 3381 -502 25 -236 C ATOM 2262 O ASP C 34 -24.390 -31.168 -33.923 1.00 19.94 O ANISOU 2262 O ASP C 34 1198 2939 3438 -599 167 -285 O ATOM 2263 CB ASP C 34 -24.715 -32.352 -31.019 1.00 21.50 C ANISOU 2263 CB ASP C 34 1566 3101 3501 -593 135 -143 C ATOM 2264 CG ASP C 34 -25.948 -31.705 -30.448 1.00 25.03 C ANISOU 2264 CG ASP C 34 2704 3289 3514 -261 230 -73 C ATOM 2265 OD1 ASP C 34 -25.904 -31.333 -29.255 1.00 29.74 O ANISOU 2265 OD1 ASP C 34 3216 4101 3981 -412 336 -270 O ATOM 2266 OD2 ASP C 34 -26.966 -31.602 -31.174 1.00 28.68 O ANISOU 2266 OD2 ASP C 34 2863 3775 4259 -676 202 -175 O ATOM 0 H ASP C 34 -23.627 -30.376 -29.843 1.00 19.37 H new ATOM 0 HA ASP C 34 -22.905 -31.752 -31.918 1.00 19.38 H new ATOM 0 HB2 ASP C 34 -24.974 -32.984 -31.708 1.00 21.50 H new ATOM 0 HB3 ASP C 34 -24.267 -32.859 -30.324 1.00 21.50 H new ATOM 2267 N ASP C 35 -24.997 -29.460 -32.607 1.00 20.48 N ANISOU 2267 N ASP C 35 1563 2724 3491 -450 81 -124 N ATOM 2268 CA ASP C 35 -25.791 -28.705 -33.602 1.00 20.19 C ANISOU 2268 CA ASP C 35 1043 2875 3752 -559 -76 73 C ATOM 2269 C ASP C 35 -25.086 -27.338 -33.888 1.00 21.25 C ANISOU 2269 C ASP C 35 1751 2792 3532 -452 20 0 C ATOM 2270 O ASP C 35 -25.686 -26.347 -34.288 1.00 22.83 O ANISOU 2270 O ASP C 35 1579 3048 4048 -555 -185 -26 O ATOM 2271 CB ASP C 35 -27.208 -28.450 -33.063 1.00 21.85 C ANISOU 2271 CB ASP C 35 1251 3229 3822 -246 126 -268 C ATOM 2272 CG ASP C 35 -27.209 -27.579 -31.813 1.00 27.46 C ANISOU 2272 CG ASP C 35 2497 3605 4331 -227 -136 -222 C ATOM 2273 OD1 ASP C 35 -26.155 -27.498 -31.161 1.00 25.70 O ANISOU 2273 OD1 ASP C 35 1362 3977 4423 -437 289 -419 O ATOM 2274 OD2 ASP C 35 -28.270 -26.991 -31.477 1.00 31.81 O ANISOU 2274 OD2 ASP C 35 2620 4603 4862 316 328 -92 O ATOM 0 H ASP C 35 -24.950 -29.058 -31.848 1.00 20.48 H new ATOM 0 HA ASP C 35 -25.855 -29.221 -34.421 1.00 20.19 H new ATOM 0 HB2 ASP C 35 -27.741 -28.023 -33.752 1.00 21.85 H new ATOM 0 HB3 ASP C 35 -27.632 -29.299 -32.862 1.00 21.85 H new ATOM 2275 N ALA C 36 -23.773 -27.293 -33.688 1.00 19.95 N ANISOU 2275 N ALA C 36 1513 2584 3481 -630 102 -171 N ATOM 2276 CA ALA C 36 -22.968 -26.065 -33.908 1.00 17.96 C ANISOU 2276 CA ALA C 36 1483 2404 2934 -447 -227 -116 C ATOM 2277 C ALA C 36 -23.079 -25.596 -35.369 1.00 17.90 C ANISOU 2277 C ALA C 36 1171 2467 3163 -347 -220 -169 C ATOM 2278 O ALA C 36 -23.294 -26.387 -36.299 1.00 18.49 O ANISOU 2278 O ALA C 36 1351 2707 2966 -295 -329 -239 O ATOM 2279 CB ALA C 36 -21.485 -26.302 -33.533 1.00 17.03 C ANISOU 2279 CB ALA C 36 984 2460 3026 -555 -406 -270 C ATOM 0 H ALA C 36 -23.312 -27.968 -33.421 1.00 19.95 H new ATOM 0 HA ALA C 36 -23.322 -25.369 -33.332 1.00 17.96 H new ATOM 0 HB1 ALA C 36 -20.979 -25.489 -33.684 1.00 17.03 H new ATOM 0 HB2 ALA C 36 -21.423 -26.551 -32.598 1.00 17.03 H new ATOM 0 HB3 ALA C 36 -21.122 -27.015 -34.082 1.00 17.03 H new ATOM 2280 N THR C 37 -22.790 -24.309 -35.578 1.00 18.51 N ANISOU 2280 N THR C 37 1279 2466 3287 -261 -240 123 N ATOM 2281 CA THR C 37 -22.706 -23.788 -36.916 1.00 20.88 C ANISOU 2281 CA THR C 37 1980 2718 3234 -511 -268 20 C ATOM 2282 C THR C 37 -21.320 -23.252 -37.164 1.00 21.41 C ANISOU 2282 C THR C 37 2156 2996 2981 -850 -436 66 C ATOM 2283 O THR C 37 -20.657 -22.683 -36.236 1.00 23.60 O ANISOU 2283 O THR C 37 2673 3283 3007 -925 -391 -136 O ATOM 2284 CB THR C 37 -23.658 -22.647 -37.139 1.00 23.89 C ANISOU 2284 CB THR C 37 2005 3328 3744 -327 -429 -34 C ATOM 2285 OG1 THR C 37 -23.435 -21.624 -36.211 1.00 31.46 O ANISOU 2285 OG1 THR C 37 3675 3855 4422 59 -284 -148 O ATOM 2286 CG2 THR C 37 -25.133 -23.086 -36.933 1.00 24.04 C ANISOU 2286 CG2 THR C 37 1146 3808 4177 -27 -695 72 C ATOM 0 H THR C 37 -22.642 -23.735 -34.955 1.00 18.51 H new ATOM 0 HA THR C 37 -22.927 -24.518 -37.515 1.00 20.88 H new ATOM 0 HB THR C 37 -23.507 -22.347 -38.049 1.00 23.89 H new ATOM 0 HG1 THR C 37 -22.841 -21.106 -36.502 1.00 31.46 H new ATOM 0 HG21 THR C 37 -25.720 -22.329 -37.084 1.00 24.04 H new ATOM 0 HG22 THR C 37 -25.351 -23.794 -37.560 1.00 24.04 H new ATOM 0 HG23 THR C 37 -25.251 -23.410 -36.026 1.00 24.04 H new ATOM 2287 N VAL C 38 -20.833 -23.445 -38.380 1.00 21.25 N ANISOU 2287 N VAL C 38 2459 2839 2774 -897 -506 169 N ATOM 2288 CA VAL C 38 -19.523 -22.907 -38.814 1.00 21.12 C ANISOU 2288 CA VAL C 38 2408 2829 2786 -731 -718 282 C ATOM 2289 C VAL C 38 -19.719 -22.089 -40.061 1.00 22.18 C ANISOU 2289 C VAL C 38 2715 2902 2811 -787 -754 230 C ATOM 2290 O VAL C 38 -20.419 -22.485 -40.988 1.00 21.88 O ANISOU 2290 O VAL C 38 2611 3019 2680 -653 -1148 147 O ATOM 2291 CB VAL C 38 -18.545 -24.046 -39.119 1.00 21.58 C ANISOU 2291 CB VAL C 38 2350 2930 2918 -717 -545 238 C ATOM 2292 CG1 VAL C 38 -17.229 -23.536 -39.747 1.00 24.51 C ANISOU 2292 CG1 VAL C 38 2862 3107 3340 -595 -305 325 C ATOM 2293 CG2 VAL C 38 -18.180 -24.795 -37.836 1.00 23.62 C ANISOU 2293 CG2 VAL C 38 2806 3049 3116 -831 -869 434 C ATOM 0 H VAL C 38 -21.245 -23.892 -38.989 1.00 21.25 H new ATOM 0 HA VAL C 38 -19.158 -22.361 -38.101 1.00 21.12 H new ATOM 0 HB VAL C 38 -18.996 -24.629 -39.749 1.00 21.58 H new ATOM 0 HG11 VAL C 38 -16.642 -24.288 -39.923 1.00 24.51 H new ATOM 0 HG12 VAL C 38 -17.424 -23.077 -40.579 1.00 24.51 H new ATOM 0 HG13 VAL C 38 -16.794 -22.923 -39.134 1.00 24.51 H new ATOM 0 HG21 VAL C 38 -17.561 -25.512 -38.045 1.00 23.62 H new ATOM 0 HG22 VAL C 38 -17.764 -24.182 -37.210 1.00 23.62 H new ATOM 0 HG23 VAL C 38 -18.983 -25.167 -37.439 1.00 23.62 H new ATOM 2294 N GLU C 39 -19.112 -20.911 -40.082 1.00 24.27 N ANISOU 2294 N GLU C 39 3169 3047 3004 -766 -863 338 N ATOM 2295 CA GLU C 39 -19.004 -20.142 -41.299 1.00 26.92 C ANISOU 2295 CA GLU C 39 3560 3405 3260 -446 -640 174 C ATOM 2296 C GLU C 39 -17.541 -19.949 -41.684 1.00 27.23 C ANISOU 2296 C GLU C 39 3807 3278 3260 -566 -293 124 C ATOM 2297 O GLU C 39 -16.865 -19.231 -40.988 1.00 27.38 O ANISOU 2297 O GLU C 39 3861 3443 3099 -618 -553 23 O ATOM 2298 CB GLU C 39 -19.597 -18.837 -40.923 1.00 28.10 C ANISOU 2298 CB GLU C 39 3643 3758 3274 -313 -811 156 C ATOM 2299 CG GLU C 39 -21.083 -18.996 -40.878 1.00 32.58 C ANISOU 2299 CG GLU C 39 3872 4200 4304 -248 -127 81 C ATOM 2300 CD GLU C 39 -21.713 -17.841 -40.202 1.00 36.70 C ANISOU 2300 CD GLU C 39 4518 4702 4722 48 58 -106 C ATOM 2301 OE1 GLU C 39 -21.778 -17.874 -38.955 1.00 37.62 O ANISOU 2301 OE1 GLU C 39 3861 5379 5052 -306 -193 264 O ATOM 2302 OE2 GLU C 39 -22.084 -16.879 -40.930 1.00 37.79 O ANISOU 2302 OE2 GLU C 39 4593 4833 4930 20 8 180 O ATOM 0 H GLU C 39 -18.755 -20.541 -39.393 1.00 24.27 H new ATOM 0 HA GLU C 39 -19.438 -20.567 -42.055 1.00 26.92 H new ATOM 0 HB2 GLU C 39 -19.261 -18.549 -40.060 1.00 28.10 H new ATOM 0 HB3 GLU C 39 -19.349 -18.155 -41.566 1.00 28.10 H new ATOM 0 HG2 GLU C 39 -21.431 -19.078 -41.780 1.00 32.58 H new ATOM 0 HG3 GLU C 39 -21.311 -19.814 -40.410 1.00 32.58 H new ATOM 2303 N ASN C 40 -17.034 -20.578 -42.768 1.00 29.15 N ANISOU 2303 N ASN C 40 3853 3582 3640 -459 -243 156 N ATOM 2304 CA ASN C 40 -15.578 -20.604 -43.045 1.00 29.58 C ANISOU 2304 CA ASN C 40 4035 3694 3507 -235 -109 -11 C ATOM 2305 C ASN C 40 -15.398 -20.746 -44.555 1.00 30.33 C ANISOU 2305 C ASN C 40 4184 3754 3584 -257 -209 -201 C ATOM 2306 O ASN C 40 -15.613 -21.862 -45.077 1.00 31.34 O ANISOU 2306 O ASN C 40 4373 3708 3825 -63 -89 -399 O ATOM 2307 CB ASN C 40 -14.936 -21.770 -42.276 1.00 29.29 C ANISOU 2307 CB ASN C 40 3731 3600 3796 -389 -243 -43 C ATOM 2308 CG ASN C 40 -13.434 -21.845 -42.475 1.00 30.60 C ANISOU 2308 CG ASN C 40 4113 3763 3748 93 51 163 C ATOM 2309 OD1 ASN C 40 -12.886 -21.151 -43.310 1.00 28.19 O ANISOU 2309 OD1 ASN C 40 3448 3230 4029 -440 339 21 O ATOM 2310 ND2 ASN C 40 -12.748 -22.684 -41.660 1.00 29.35 N ANISOU 2310 ND2 ASN C 40 3293 3572 4284 56 -440 336 N ATOM 0 H ASN C 40 -17.513 -20.992 -43.350 1.00 29.15 H new ATOM 0 HA ASN C 40 -15.142 -19.789 -42.750 1.00 29.58 H new ATOM 0 HB2 ASN C 40 -15.129 -21.674 -41.330 1.00 29.29 H new ATOM 0 HB3 ASN C 40 -15.339 -22.604 -42.565 1.00 29.29 H new ATOM 0 HD21 ASN C 40 -11.892 -22.740 -41.723 1.00 29.35 H new ATOM 0 HD22 ASN C 40 -13.169 -23.160 -41.081 1.00 29.35 H new ATOM 2311 N PRO C 41 -15.037 -19.636 -45.256 1.00 29.09 N ANISOU 2311 N PRO C 41 4005 3639 3407 -174 -283 -159 N ATOM 2312 CA PRO C 41 -14.772 -18.250 -44.689 1.00 27.82 C ANISOU 2312 CA PRO C 41 3697 3592 3279 -189 -264 -140 C ATOM 2313 C PRO C 41 -16.057 -17.519 -44.342 1.00 28.78 C ANISOU 2313 C PRO C 41 3753 3744 3437 -51 -410 -193 C ATOM 2314 O PRO C 41 -17.125 -17.872 -44.855 1.00 30.13 O ANISOU 2314 O PRO C 41 3800 3951 3695 43 -511 -32 O ATOM 2315 CB PRO C 41 -14.005 -17.530 -45.804 1.00 28.24 C ANISOU 2315 CB PRO C 41 3515 3855 3358 -80 -440 45 C ATOM 2316 CG PRO C 41 -14.545 -18.231 -47.102 1.00 31.03 C ANISOU 2316 CG PRO C 41 4140 3881 3769 -178 -358 -28 C ATOM 2317 CD PRO C 41 -14.799 -19.694 -46.705 1.00 30.34 C ANISOU 2317 CD PRO C 41 4169 3817 3540 -196 -281 -133 C ATOM 0 HA PRO C 41 -14.275 -18.288 -43.857 1.00 27.82 H new ATOM 0 HB2 PRO C 41 -14.185 -16.577 -45.808 1.00 28.24 H new ATOM 0 HB3 PRO C 41 -13.046 -17.637 -45.709 1.00 28.24 H new ATOM 0 HG2 PRO C 41 -15.360 -17.808 -47.414 1.00 31.03 H new ATOM 0 HG3 PRO C 41 -13.900 -18.172 -47.824 1.00 31.03 H new ATOM 0 HD2 PRO C 41 -15.563 -20.062 -47.176 1.00 30.34 H new ATOM 0 HD3 PRO C 41 -14.038 -20.256 -46.917 1.00 30.34 H new ATOM 2318 N PHE C 42 -16.002 -16.617 -43.373 1.00 28.97 N ANISOU 2318 N PHE C 42 3664 3890 3452 -24 -258 -258 N ATOM 2319 CA PHE C 42 -17.176 -15.819 -43.067 1.00 29.25 C ANISOU 2319 CA PHE C 42 3563 3977 3571 73 -270 -169 C ATOM 2320 C PHE C 42 -17.575 -15.158 -44.393 1.00 31.45 C ANISOU 2320 C PHE C 42 3908 4238 3804 71 -244 -97 C ATOM 2321 O PHE C 42 -16.715 -14.712 -45.132 1.00 29.05 O ANISOU 2321 O PHE C 42 3230 4176 3631 15 -477 -77 O ATOM 2322 CB PHE C 42 -16.903 -14.804 -41.960 1.00 29.80 C ANISOU 2322 CB PHE C 42 3494 4107 3722 206 -286 -298 C ATOM 2323 CG PHE C 42 -18.126 -14.057 -41.492 1.00 32.66 C ANISOU 2323 CG PHE C 42 3961 4263 4182 65 8 -171 C ATOM 2324 CD1 PHE C 42 -19.029 -14.643 -40.613 1.00 34.38 C ANISOU 2324 CD1 PHE C 42 3997 4724 4339 44 133 -158 C ATOM 2325 CD2 PHE C 42 -18.358 -12.747 -41.923 1.00 35.50 C ANISOU 2325 CD2 PHE C 42 4437 4581 4468 170 -50 -50 C ATOM 2326 CE1 PHE C 42 -20.217 -13.911 -40.181 1.00 33.85 C ANISOU 2326 CE1 PHE C 42 3880 4651 4330 420 -198 142 C ATOM 2327 CE2 PHE C 42 -19.481 -12.037 -41.480 1.00 38.28 C ANISOU 2327 CE2 PHE C 42 4658 4830 5055 21 223 -82 C ATOM 2328 CZ PHE C 42 -20.389 -12.627 -40.578 1.00 37.43 C ANISOU 2328 CZ PHE C 42 4396 4812 5012 56 46 41 C ATOM 0 H PHE C 42 -15.309 -16.454 -42.890 1.00 28.97 H new ATOM 0 HA PHE C 42 -17.900 -16.363 -42.719 1.00 29.25 H new ATOM 0 HB2 PHE C 42 -16.508 -15.264 -41.203 1.00 29.80 H new ATOM 0 HB3 PHE C 42 -16.247 -14.164 -42.277 1.00 29.80 H new ATOM 0 HD1 PHE C 42 -18.876 -15.505 -40.299 1.00 34.38 H new ATOM 0 HD2 PHE C 42 -17.760 -12.343 -42.510 1.00 35.50 H new ATOM 0 HE1 PHE C 42 -20.850 -14.323 -39.638 1.00 33.85 H new ATOM 0 HE2 PHE C 42 -19.629 -11.170 -41.783 1.00 38.28 H new ATOM 0 HZ PHE C 42 -21.108 -12.134 -40.254 1.00 37.43 H new ATOM 2329 N GLY C 43 -18.870 -15.171 -44.704 1.00 33.27 N ANISOU 2329 N GLY C 43 4096 4304 4242 167 -211 -92 N ATOM 2330 CA GLY C 43 -19.350 -14.734 -46.008 1.00 35.75 C ANISOU 2330 CA GLY C 43 4543 4594 4445 74 -324 -73 C ATOM 2331 C GLY C 43 -20.066 -15.854 -46.744 1.00 37.55 C ANISOU 2331 C GLY C 43 4723 4751 4791 23 -322 -49 C ATOM 2332 O GLY C 43 -20.867 -15.619 -47.673 1.00 37.85 O ANISOU 2332 O GLY C 43 4579 4906 4894 16 -506 3 O ATOM 0 H GLY C 43 -19.489 -15.432 -44.167 1.00 33.27 H new ATOM 0 HA2 GLY C 43 -19.952 -13.982 -45.897 1.00 35.75 H new ATOM 0 HA3 GLY C 43 -18.602 -14.422 -46.541 1.00 35.75 H new ATOM 2333 N GLN C 44 -19.731 -17.077 -46.356 1.00 38.31 N ANISOU 2333 N GLN C 44 4788 4863 4904 -45 -337 -13 N ATOM 2334 CA GLN C 44 -20.208 -18.273 -47.033 1.00 39.21 C ANISOU 2334 CA GLN C 44 4951 4896 5050 -38 -149 7 C ATOM 2335 C GLN C 44 -21.333 -18.818 -46.175 1.00 38.46 C ANISOU 2335 C GLN C 44 4792 4843 4977 8 -221 46 C ATOM 2336 O GLN C 44 -21.302 -18.621 -44.972 1.00 39.40 O ANISOU 2336 O GLN C 44 4886 4942 5140 -13 -209 -1 O ATOM 2337 CB GLN C 44 -19.039 -19.251 -47.115 1.00 40.77 C ANISOU 2337 CB GLN C 44 5062 5192 5236 -1 -117 83 C ATOM 2338 CG GLN C 44 -18.160 -19.187 -48.391 1.00 42.83 C ANISOU 2338 CG GLN C 44 5323 5628 5319 -102 -71 -85 C ATOM 2339 CD GLN C 44 -18.232 -17.877 -49.163 1.00 45.30 C ANISOU 2339 CD GLN C 44 5684 5870 5658 -80 -125 61 C ATOM 2340 OE1 GLN C 44 -17.320 -17.055 -49.092 1.00 46.79 O ANISOU 2340 OE1 GLN C 44 5788 6449 5541 -156 -178 -67 O ATOM 2341 NE2 GLN C 44 -19.305 -17.687 -49.940 1.00 48.46 N ANISOU 2341 NE2 GLN C 44 5743 6583 6086 -157 -74 -6 N ATOM 0 H GLN C 44 -19.216 -17.237 -45.686 1.00 38.31 H new ATOM 0 HA GLN C 44 -20.532 -18.109 -47.933 1.00 39.21 H new ATOM 0 HB2 GLN C 44 -18.467 -19.103 -46.346 1.00 40.77 H new ATOM 0 HB3 GLN C 44 -19.392 -20.151 -47.036 1.00 40.77 H new ATOM 0 HG2 GLN C 44 -17.237 -19.347 -48.139 1.00 42.83 H new ATOM 0 HG3 GLN C 44 -18.422 -19.909 -48.983 1.00 42.83 H new ATOM 0 HE21 GLN C 44 -19.926 -18.281 -49.968 1.00 48.46 H new ATOM 0 HE22 GLN C 44 -19.373 -16.971 -50.411 1.00 48.46 H new ATOM 2342 N PRO C 45 -22.359 -19.457 -46.783 1.00 37.88 N ANISOU 2342 N PRO C 45 4683 4828 4880 -107 -223 88 N ATOM 2343 CA PRO C 45 -23.454 -20.064 -46.035 1.00 37.84 C ANISOU 2343 CA PRO C 45 4679 4826 4868 6 -253 96 C ATOM 2344 C PRO C 45 -22.981 -21.061 -44.993 1.00 35.49 C ANISOU 2344 C PRO C 45 4359 4497 4627 14 -266 119 C ATOM 2345 O PRO C 45 -21.983 -21.736 -45.215 1.00 37.03 O ANISOU 2345 O PRO C 45 4620 4739 4709 72 -190 102 O ATOM 2346 CB PRO C 45 -24.292 -20.771 -47.114 1.00 37.68 C ANISOU 2346 CB PRO C 45 4609 4857 4849 -60 -280 34 C ATOM 2347 CG PRO C 45 -23.628 -20.545 -48.410 1.00 38.21 C ANISOU 2347 CG PRO C 45 4706 4822 4987 -154 -205 -25 C ATOM 2348 CD PRO C 45 -22.583 -19.501 -48.244 1.00 37.98 C ANISOU 2348 CD PRO C 45 4642 4889 4897 -148 -309 80 C ATOM 0 HA PRO C 45 -23.947 -19.397 -45.532 1.00 37.84 H new ATOM 0 HB2 PRO C 45 -24.359 -21.720 -46.926 1.00 37.68 H new ATOM 0 HB3 PRO C 45 -25.196 -20.420 -47.128 1.00 37.68 H new ATOM 0 HG2 PRO C 45 -23.230 -21.369 -48.730 1.00 38.21 H new ATOM 0 HG3 PRO C 45 -24.277 -20.266 -49.075 1.00 38.21 H new ATOM 0 HD2 PRO C 45 -21.771 -19.731 -48.722 1.00 37.98 H new ATOM 0 HD3 PRO C 45 -22.880 -18.643 -48.585 1.00 37.98 H new ATOM 2349 N PRO C 46 -23.629 -21.068 -43.824 1.00 34.11 N ANISOU 2349 N PRO C 46 3988 4289 4682 -23 -352 126 N ATOM 2350 CA PRO C 46 -23.072 -21.858 -42.699 1.00 29.47 C ANISOU 2350 CA PRO C 46 3183 3765 4246 -161 -546 125 C ATOM 2351 C PRO C 46 -23.283 -23.342 -42.858 1.00 28.27 C ANISOU 2351 C PRO C 46 3033 3670 4038 -184 -668 -54 C ATOM 2352 O PRO C 46 -24.304 -23.788 -43.435 1.00 28.99 O ANISOU 2352 O PRO C 46 2565 3969 4481 -505 -975 -88 O ATOM 2353 CB PRO C 46 -23.828 -21.389 -41.486 1.00 30.70 C ANISOU 2353 CB PRO C 46 3568 3639 4455 -279 -483 46 C ATOM 2354 CG PRO C 46 -24.786 -20.219 -41.976 1.00 33.58 C ANISOU 2354 CG PRO C 46 3619 4501 4638 84 -405 84 C ATOM 2355 CD PRO C 46 -24.863 -20.348 -43.463 1.00 34.39 C ANISOU 2355 CD PRO C 46 4035 4426 4605 82 -337 68 C ATOM 0 HA PRO C 46 -22.113 -21.726 -42.645 1.00 29.47 H new ATOM 0 HB2 PRO C 46 -24.341 -22.115 -41.097 1.00 30.70 H new ATOM 0 HB3 PRO C 46 -23.219 -21.072 -40.801 1.00 30.70 H new ATOM 0 HG2 PRO C 46 -25.665 -20.299 -41.574 1.00 33.58 H new ATOM 0 HG3 PRO C 46 -24.435 -19.352 -41.720 1.00 33.58 H new ATOM 0 HD2 PRO C 46 -25.653 -20.839 -43.736 1.00 34.39 H new ATOM 0 HD3 PRO C 46 -24.906 -19.480 -43.893 1.00 34.39 H new ATOM 2356 N ILE C 47 -22.404 -24.112 -42.280 1.00 23.80 N ANISOU 2356 N ILE C 47 2596 2914 3531 -60 -525 86 N ATOM 2357 CA ILE C 47 -22.630 -25.511 -42.183 1.00 24.38 C ANISOU 2357 CA ILE C 47 2680 3109 3473 -354 -423 -56 C ATOM 2358 C ILE C 47 -23.111 -25.828 -40.774 1.00 23.40 C ANISOU 2358 C ILE C 47 2547 3026 3318 -274 -635 33 C ATOM 2359 O ILE C 47 -22.871 -25.066 -39.834 1.00 25.31 O ANISOU 2359 O ILE C 47 2762 3329 3522 -861 -789 -91 O ATOM 2360 CB ILE C 47 -21.468 -26.323 -42.601 1.00 25.65 C ANISOU 2360 CB ILE C 47 3027 3325 3391 4 -495 90 C ATOM 2361 CG1 ILE C 47 -20.362 -26.055 -41.663 1.00 22.79 C ANISOU 2361 CG1 ILE C 47 1938 3295 3422 -368 -310 -213 C ATOM 2362 CG2 ILE C 47 -21.013 -25.953 -44.023 1.00 27.98 C ANISOU 2362 CG2 ILE C 47 3500 3711 3419 -20 -204 187 C ATOM 2363 CD1 ILE C 47 -19.189 -26.993 -41.824 1.00 29.35 C ANISOU 2363 CD1 ILE C 47 3358 3727 4065 338 -425 92 C ATOM 0 H ILE C 47 -21.665 -23.838 -41.936 1.00 23.80 H new ATOM 0 HA ILE C 47 -23.322 -25.761 -42.815 1.00 24.38 H new ATOM 0 HB ILE C 47 -21.718 -27.260 -42.596 1.00 25.65 H new ATOM 0 HG12 ILE C 47 -20.056 -25.143 -41.788 1.00 22.79 H new ATOM 0 HG13 ILE C 47 -20.696 -26.120 -40.755 1.00 22.79 H new ATOM 0 HG21 ILE C 47 -20.251 -26.499 -44.272 1.00 27.98 H new ATOM 0 HG22 ILE C 47 -21.740 -26.109 -44.646 1.00 27.98 H new ATOM 0 HG23 ILE C 47 -20.761 -25.017 -44.049 1.00 27.98 H new ATOM 0 HD11 ILE C 47 -18.500 -26.764 -41.181 1.00 29.35 H new ATOM 0 HD12 ILE C 47 -19.481 -27.906 -41.673 1.00 29.35 H new ATOM 0 HD13 ILE C 47 -18.831 -26.913 -42.722 1.00 29.35 H new ATOM 2364 N HIS C 48 -23.895 -26.892 -40.641 1.00 21.59 N ANISOU 2364 N HIS C 48 1949 2899 3355 -255 -840 92 N ATOM 2365 CA AHIS C 48 -24.601 -27.106 -39.409 0.60 21.69 C ANISOU 2365 CA AHIS C 48 1846 2960 3435 -392 -733 -18 C ATOM 2366 CA BHIS C 48 -24.638 -27.136 -39.419 0.40 21.67 C ANISOU 2366 CA BHIS C 48 1891 2938 3404 -326 -673 -10 C ATOM 2367 C HIS C 48 -24.438 -28.539 -38.975 1.00 22.12 C ANISOU 2367 C HIS C 48 2121 2870 3413 -247 -586 -64 C ATOM 2368 O HIS C 48 -24.671 -29.475 -39.759 1.00 21.39 O ANISOU 2368 O HIS C 48 1794 2978 3354 -294 -856 -158 O ATOM 2369 CB AHIS C 48 -26.128 -26.877 -39.603 0.60 24.12 C ANISOU 2369 CB AHIS C 48 2157 3326 3678 -289 -597 35 C ATOM 2370 CB BHIS C 48 -26.143 -27.051 -39.722 0.40 22.74 C ANISOU 2370 CB BHIS C 48 1936 3163 3541 -334 -593 57 C ATOM 2371 CG AHIS C 48 -26.859 -26.861 -38.312 0.60 28.92 C ANISOU 2371 CG AHIS C 48 3010 3833 4144 -267 -227 -110 C ATOM 2372 CG BHIS C 48 -26.611 -25.667 -39.978 0.40 22.31 C ANISOU 2372 CG BHIS C 48 1515 3148 3812 -281 -433 -99 C ATOM 2373 ND1AHIS C 48 -26.997 -25.717 -37.563 0.60 32.29 N ANISOU 2373 ND1AHIS C 48 3673 4294 4299 51 71 -294 N ATOM 2374 ND1BHIS C 48 -27.072 -24.850 -38.971 0.40 27.64 N ANISOU 2374 ND1BHIS C 48 2779 3708 4015 -149 -127 -39 N ATOM 2375 CD2AHIS C 48 -27.414 -27.860 -37.584 0.60 33.58 C ANISOU 2375 CD2AHIS C 48 3946 4497 4314 3 -36 136 C ATOM 2376 CD2BHIS C 48 -26.659 -24.941 -41.115 0.40 24.72 C ANISOU 2376 CD2BHIS C 48 1948 3536 3909 -436 -252 -88 C ATOM 2377 CE1AHIS C 48 -27.651 -26.002 -36.448 0.60 34.25 C ANISOU 2377 CE1AHIS C 48 3986 4565 4462 -184 6 -8 C ATOM 2378 CE1BHIS C 48 -27.404 -23.676 -39.486 0.40 29.21 C ANISOU 2378 CE1BHIS C 48 3085 3793 4217 57 -79 61 C ATOM 2379 NE2AHIS C 48 -27.885 -27.299 -36.422 0.60 34.20 N ANISOU 2379 NE2AHIS C 48 3790 4549 4653 171 99 -104 N ATOM 2380 NE2BHIS C 48 -27.170 -23.709 -40.784 0.40 26.47 N ANISOU 2380 NE2BHIS C 48 2450 3438 4168 -50 -262 88 N ATOM 0 H AHIS C 48 -24.024 -27.488 -41.248 0.60 21.59 H new ATOM 0 H BHIS C 48 -24.009 -27.486 -41.252 0.40 21.59 H new ATOM 0 HA AHIS C 48 -24.241 -26.488 -38.754 0.60 21.67 H new ATOM 0 HA BHIS C 48 -24.341 -26.492 -38.757 0.40 21.67 H new ATOM 0 HB2AHIS C 48 -26.271 -26.036 -40.065 0.60 22.74 H new ATOM 0 HB2BHIS C 48 -26.343 -27.602 -40.495 0.40 22.74 H new ATOM 0 HB3AHIS C 48 -26.489 -27.577 -40.169 0.60 22.74 H new ATOM 0 HB3BHIS C 48 -26.639 -27.421 -38.975 0.40 22.74 H new ATOM 0 HD2AHIS C 48 -27.466 -28.757 -37.826 0.60 24.72 H new ATOM 0 HD2BHIS C 48 -26.396 -25.221 -41.962 0.40 24.72 H new ATOM 0 HE1AHIS C 48 -27.903 -25.391 -35.794 0.60 29.21 H new ATOM 0 HE1BHIS C 48 -27.744 -22.951 -39.013 0.40 29.21 H new ATOM 0 HE2AHIS C 48 -28.270 -27.725 -35.782 0.60 26.47 H new ATOM 0 HE2BHIS C 48 -27.314 -23.064 -41.334 0.40 26.47 H new ATOM 2381 N GLY C 49 -24.094 -28.701 -37.712 1.00 19.77 N ANISOU 2381 N GLY C 49 1542 2754 3215 -281 -614 -50 N ATOM 2382 CA GLY C 49 -24.016 -30.019 -37.130 1.00 19.73 C ANISOU 2382 CA GLY C 49 1471 2593 3431 -281 -121 -137 C ATOM 2383 C GLY C 49 -22.671 -30.701 -37.217 1.00 18.21 C ANISOU 2383 C GLY C 49 1422 2477 3019 -422 -133 -199 C ATOM 2384 O GLY C 49 -21.917 -30.519 -38.158 1.00 18.89 O ANISOU 2384 O GLY C 49 1736 2456 2985 -342 86 -82 O ATOM 0 H GLY C 49 -23.902 -28.058 -37.175 1.00 19.77 H new ATOM 0 HA2 GLY C 49 -24.267 -29.956 -36.195 1.00 19.73 H new ATOM 0 HA3 GLY C 49 -24.674 -30.584 -37.563 1.00 19.73 H new ATOM 2385 N ARG C 50 -22.453 -31.582 -36.273 1.00 16.30 N ANISOU 2385 N ARG C 50 932 2420 2839 -292 -48 -66 N ATOM 2386 CA ARG C 50 -21.161 -32.288 -36.274 1.00 16.60 C ANISOU 2386 CA ARG C 50 1241 2435 2627 -59 -165 -166 C ATOM 2387 C ARG C 50 -20.863 -33.106 -37.507 1.00 16.05 C ANISOU 2387 C ARG C 50 1121 2279 2697 -332 80 -206 C ATOM 2388 O ARG C 50 -19.683 -33.251 -37.883 1.00 18.61 O ANISOU 2388 O ARG C 50 1482 2559 3029 -436 252 -99 O ATOM 2389 CB ARG C 50 -21.031 -33.139 -35.002 1.00 17.90 C ANISOU 2389 CB ARG C 50 1580 2242 2976 -182 -105 -312 C ATOM 2390 CG ARG C 50 -20.659 -32.346 -33.766 1.00 20.17 C ANISOU 2390 CG ARG C 50 2587 2488 2586 -94 -193 -140 C ATOM 2391 CD ARG C 50 -20.596 -33.293 -32.636 1.00 21.40 C ANISOU 2391 CD ARG C 50 2791 2832 2507 -22 -299 -18 C ATOM 2392 NE ARG C 50 -20.254 -32.667 -31.383 1.00 18.71 N ANISOU 2392 NE ARG C 50 1531 2735 2840 -512 19 -194 N ATOM 2393 CZ ARG C 50 -20.410 -33.229 -30.205 1.00 23.36 C ANISOU 2393 CZ ARG C 50 3320 2611 2941 -514 -139 0 C ATOM 2394 NH1 ARG C 50 -20.906 -34.458 -30.128 1.00 28.05 N ANISOU 2394 NH1 ARG C 50 4105 2779 3773 -849 -120 132 N ATOM 2395 NH2 ARG C 50 -20.054 -32.583 -29.113 1.00 24.94 N ANISOU 2395 NH2 ARG C 50 3501 2932 3040 -673 -297 -165 N ATOM 0 H ARG C 50 -23.000 -31.791 -35.643 1.00 16.30 H new ATOM 0 HA ARG C 50 -20.487 -31.590 -36.288 1.00 16.60 H new ATOM 0 HB2 ARG C 50 -21.872 -33.595 -34.842 1.00 17.90 H new ATOM 0 HB3 ARG C 50 -20.360 -33.824 -35.149 1.00 17.90 H new ATOM 0 HG2 ARG C 50 -19.805 -31.903 -33.889 1.00 20.17 H new ATOM 0 HG3 ARG C 50 -21.316 -31.653 -33.595 1.00 20.17 H new ATOM 0 HD2 ARG C 50 -21.454 -33.735 -32.545 1.00 21.40 H new ATOM 0 HD3 ARG C 50 -19.942 -33.981 -32.835 1.00 21.40 H new ATOM 0 HE ARG C 50 -19.926 -31.872 -31.408 1.00 18.71 H new ATOM 0 HH11 ARG C 50 -21.122 -34.880 -30.845 1.00 28.05 H new ATOM 0 HH12 ARG C 50 -21.011 -34.832 -29.361 1.00 28.05 H new ATOM 0 HH21 ARG C 50 -19.719 -31.793 -29.171 1.00 24.94 H new ATOM 0 HH22 ARG C 50 -20.156 -32.951 -28.343 1.00 24.94 H new ATOM 2396 N GLU C 51 -21.886 -33.739 -38.124 1.00 18.92 N ANISOU 2396 N GLU C 51 2035 2344 2806 -518 -126 -246 N ATOM 2397 CA GLU C 51 -21.560 -34.527 -39.340 1.00 19.78 C ANISOU 2397 CA GLU C 51 1987 2532 2997 -647 100 -252 C ATOM 2398 C GLU C 51 -20.994 -33.619 -40.435 1.00 19.45 C ANISOU 2398 C GLU C 51 2245 2422 2721 -509 -74 -341 C ATOM 2399 O GLU C 51 -19.952 -33.907 -41.071 1.00 20.24 O ANISOU 2399 O GLU C 51 2198 2779 2711 -509 -98 -226 O ATOM 2400 CB GLU C 51 -22.761 -35.332 -39.842 1.00 21.94 C ANISOU 2400 CB GLU C 51 2411 2660 3263 -639 108 -354 C ATOM 2401 CG GLU C 51 -22.421 -36.031 -41.217 1.00 23.19 C ANISOU 2401 CG GLU C 51 2529 2713 3568 -1069 159 -585 C ATOM 2402 CD GLU C 51 -23.637 -36.615 -41.952 1.00 28.22 C ANISOU 2402 CD GLU C 51 2873 3510 4339 -720 69 -612 C ATOM 2403 OE1 GLU C 51 -24.792 -36.122 -41.797 1.00 30.89 O ANISOU 2403 OE1 GLU C 51 3426 3635 4672 -303 -266 -587 O ATOM 2404 OE2 GLU C 51 -23.420 -37.612 -42.706 1.00 35.78 O ANISOU 2404 OE2 GLU C 51 3938 4616 5041 -536 33 -870 O ATOM 0 H GLU C 51 -22.711 -33.730 -37.881 1.00 18.92 H new ATOM 0 HA GLU C 51 -20.876 -35.171 -39.098 1.00 19.78 H new ATOM 0 HB2 GLU C 51 -23.006 -36.001 -39.184 1.00 21.94 H new ATOM 0 HB3 GLU C 51 -23.527 -34.747 -39.951 1.00 21.94 H new ATOM 0 HG2 GLU C 51 -21.986 -35.386 -41.796 1.00 23.19 H new ATOM 0 HG3 GLU C 51 -21.782 -36.743 -41.056 1.00 23.19 H new ATOM 2405 N GLN C 52 -21.666 -32.508 -40.667 1.00 18.39 N ANISOU 2405 N GLN C 52 1624 2630 2731 -534 -433 -85 N ATOM 2406 CA GLN C 52 -21.178 -31.580 -41.719 1.00 20.91 C ANISOU 2406 CA GLN C 52 2322 2775 2847 -514 -395 2 C ATOM 2407 C GLN C 52 -19.854 -30.904 -41.340 1.00 19.13 C ANISOU 2407 C GLN C 52 1913 2742 2613 -417 -186 -137 C ATOM 2408 O GLN C 52 -18.969 -30.676 -42.192 1.00 19.74 O ANISOU 2408 O GLN C 52 2213 2774 2512 -430 -397 -38 O ATOM 2409 CB GLN C 52 -22.148 -30.456 -42.008 1.00 21.03 C ANISOU 2409 CB GLN C 52 2034 3060 2896 -559 -522 -27 C ATOM 2410 CG GLN C 52 -23.464 -30.935 -42.612 1.00 26.29 C ANISOU 2410 CG GLN C 52 2721 3482 3786 -459 -557 14 C ATOM 2411 CD GLN C 52 -24.493 -29.819 -42.849 1.00 26.04 C ANISOU 2411 CD GLN C 52 2473 3623 3798 -400 -871 -8 C ATOM 2412 OE1 GLN C 52 -24.173 -28.615 -43.030 1.00 30.29 O ANISOU 2412 OE1 GLN C 52 3643 3810 4054 -443 -965 32 O ATOM 2413 NE2 GLN C 52 -25.766 -30.233 -42.917 1.00 31.87 N ANISOU 2413 NE2 GLN C 52 2961 4189 4956 -325 -735 -106 N ATOM 0 H GLN C 52 -22.380 -32.263 -40.255 1.00 18.39 H new ATOM 0 HA GLN C 52 -21.069 -32.149 -42.497 1.00 20.91 H new ATOM 0 HB2 GLN C 52 -22.333 -29.977 -41.185 1.00 21.03 H new ATOM 0 HB3 GLN C 52 -21.731 -29.826 -42.616 1.00 21.03 H new ATOM 0 HG2 GLN C 52 -23.279 -31.375 -43.456 1.00 26.29 H new ATOM 0 HG3 GLN C 52 -23.854 -31.601 -42.025 1.00 26.29 H new ATOM 0 HE21 GLN C 52 -25.956 -31.062 -42.789 1.00 31.87 H new ATOM 0 HE22 GLN C 52 -26.393 -29.670 -43.089 1.00 31.87 H new ATOM 2414 N ILE C 53 -19.720 -30.636 -40.053 1.00 17.28 N ANISOU 2414 N ILE C 53 1560 2524 2480 -326 -470 -130 N ATOM 2415 CA ILE C 53 -18.465 -30.070 -39.572 1.00 16.90 C ANISOU 2415 CA ILE C 53 1509 2391 2521 -378 -362 -76 C ATOM 2416 C ILE C 53 -17.348 -31.109 -39.750 1.00 17.54 C ANISOU 2416 C ILE C 53 1801 2470 2393 -379 -104 -85 C ATOM 2417 O ILE C 53 -16.258 -30.733 -40.208 1.00 18.65 O ANISOU 2417 O ILE C 53 2003 2556 2528 -671 -45 -104 O ATOM 2418 CB ILE C 53 -18.628 -29.587 -38.124 1.00 16.08 C ANISOU 2418 CB ILE C 53 986 2385 2739 -155 -269 -224 C ATOM 2419 CG1 ILE C 53 -19.669 -28.408 -38.078 1.00 19.01 C ANISOU 2419 CG1 ILE C 53 1585 2553 3082 -210 -290 -43 C ATOM 2420 CG2 ILE C 53 -17.251 -29.243 -37.559 1.00 18.14 C ANISOU 2420 CG2 ILE C 53 1207 2775 2910 -456 -505 -348 C ATOM 2421 CD1 ILE C 53 -20.097 -27.961 -36.679 1.00 18.70 C ANISOU 2421 CD1 ILE C 53 1755 2637 2713 -557 -163 -125 C ATOM 0 H ILE C 53 -20.322 -30.768 -39.453 1.00 17.28 H new ATOM 0 HA ILE C 53 -18.216 -29.289 -40.090 1.00 16.90 H new ATOM 0 HB ILE C 53 -18.992 -30.281 -37.552 1.00 16.08 H new ATOM 0 HG12 ILE C 53 -19.291 -27.645 -38.543 1.00 19.01 H new ATOM 0 HG13 ILE C 53 -20.460 -28.677 -38.571 1.00 19.01 H new ATOM 0 HG21 ILE C 53 -17.344 -28.936 -36.643 1.00 18.14 H new ATOM 0 HG22 ILE C 53 -16.686 -30.031 -37.580 1.00 18.14 H new ATOM 0 HG23 ILE C 53 -16.847 -28.542 -38.095 1.00 18.14 H new ATOM 0 HD11 ILE C 53 -20.736 -27.235 -36.752 1.00 18.70 H new ATOM 0 HD12 ILE C 53 -20.507 -28.706 -36.212 1.00 18.70 H new ATOM 0 HD13 ILE C 53 -19.320 -27.658 -36.184 1.00 18.70 H new ATOM 2422 N ALA C 54 -17.560 -32.386 -39.424 1.00 17.58 N ANISOU 2422 N ALA C 54 1699 2409 2570 -513 -172 -116 N ATOM 2423 CA ALA C 54 -16.521 -33.406 -39.633 1.00 19.65 C ANISOU 2423 CA ALA C 54 2208 2576 2681 -411 -82 -240 C ATOM 2424 C ALA C 54 -16.142 -33.458 -41.069 1.00 19.08 C ANISOU 2424 C ALA C 54 1999 2626 2623 -191 168 -170 C ATOM 2425 O ALA C 54 -14.980 -33.614 -41.398 1.00 20.10 O ANISOU 2425 O ALA C 54 2077 2752 2806 -221 140 -260 O ATOM 2426 CB ALA C 54 -17.036 -34.783 -39.211 1.00 20.32 C ANISOU 2426 CB ALA C 54 2133 2676 2911 -224 46 -132 C ATOM 0 H ALA C 54 -18.291 -32.683 -39.083 1.00 17.58 H new ATOM 0 HA ALA C 54 -15.749 -33.169 -39.096 1.00 19.65 H new ATOM 0 HB1 ALA C 54 -16.342 -35.446 -39.354 1.00 20.32 H new ATOM 0 HB2 ALA C 54 -17.277 -34.765 -38.272 1.00 20.32 H new ATOM 0 HB3 ALA C 54 -17.816 -35.013 -39.740 1.00 20.32 H new ATOM 2427 N ALA C 55 -17.129 -33.404 -41.961 1.00 21.12 N ANISOU 2427 N ALA C 55 2595 2843 2584 -422 -29 -327 N ATOM 2428 CA ALA C 55 -16.897 -33.502 -43.384 1.00 21.41 C ANISOU 2428 CA ALA C 55 2461 3111 2561 -345 83 -150 C ATOM 2429 C ALA C 55 -16.024 -32.365 -43.840 1.00 21.53 C ANISOU 2429 C ALA C 55 2446 3092 2641 -275 254 -270 C ATOM 2430 O ALA C 55 -15.008 -32.551 -44.607 1.00 22.80 O ANISOU 2430 O ALA C 55 2446 3425 2789 -330 253 -252 O ATOM 2431 CB ALA C 55 -18.201 -33.482 -44.146 1.00 24.01 C ANISOU 2431 CB ALA C 55 3042 3461 2618 -374 -252 -158 C ATOM 0 H ALA C 55 -17.957 -33.308 -41.748 1.00 21.12 H new ATOM 0 HA ALA C 55 -16.451 -34.344 -43.562 1.00 21.41 H new ATOM 0 HB1 ALA C 55 -18.021 -33.549 -45.097 1.00 24.01 H new ATOM 0 HB2 ALA C 55 -18.750 -34.232 -43.868 1.00 24.01 H new ATOM 0 HB3 ALA C 55 -18.670 -32.653 -43.963 1.00 24.01 H new ATOM 2432 N PHE C 56 -16.331 -31.172 -43.325 1.00 21.20 N ANISOU 2432 N PHE C 56 2284 2935 2835 -366 116 -189 N ATOM 2433 CA PHE C 56 -15.509 -29.996 -43.607 1.00 22.51 C ANISOU 2433 CA PHE C 56 2594 2954 3005 -284 43 -115 C ATOM 2434 C PHE C 56 -14.023 -30.164 -43.198 1.00 20.65 C ANISOU 2434 C PHE C 56 2137 2921 2786 -192 236 -190 C ATOM 2435 O PHE C 56 -13.059 -29.887 -43.960 1.00 23.38 O ANISOU 2435 O PHE C 56 3042 3274 2567 -263 214 -111 O ATOM 2436 CB PHE C 56 -16.170 -28.793 -42.963 1.00 22.78 C ANISOU 2436 CB PHE C 56 2655 2834 3166 -263 298 41 C ATOM 2437 CG PHE C 56 -15.373 -27.556 -43.034 1.00 25.53 C ANISOU 2437 CG PHE C 56 3202 2869 3628 -98 101 6 C ATOM 2438 CD1 PHE C 56 -15.433 -26.767 -44.165 1.00 28.84 C ANISOU 2438 CD1 PHE C 56 3589 3537 3831 -533 121 224 C ATOM 2439 CD2 PHE C 56 -14.655 -27.129 -41.938 1.00 28.99 C ANISOU 2439 CD2 PHE C 56 3476 3283 4256 -476 16 -67 C ATOM 2440 CE1 PHE C 56 -14.716 -25.583 -44.247 1.00 32.73 C ANISOU 2440 CE1 PHE C 56 4328 3559 4548 -473 -125 124 C ATOM 2441 CE2 PHE C 56 -13.888 -25.923 -42.018 1.00 30.70 C ANISOU 2441 CE2 PHE C 56 3625 3497 4540 -387 -260 84 C ATOM 2442 CZ PHE C 56 -13.944 -25.180 -43.162 1.00 30.74 C ANISOU 2442 CZ PHE C 56 3663 3604 4411 -765 54 205 C ATOM 0 H PHE C 56 -17.007 -31.024 -42.814 1.00 21.20 H new ATOM 0 HA PHE C 56 -15.466 -29.866 -44.567 1.00 22.51 H new ATOM 0 HB2 PHE C 56 -17.026 -28.639 -43.392 1.00 22.78 H new ATOM 0 HB3 PHE C 56 -16.351 -28.996 -42.032 1.00 22.78 H new ATOM 0 HD1 PHE C 56 -15.962 -27.033 -44.882 1.00 28.84 H new ATOM 0 HD2 PHE C 56 -14.669 -27.622 -41.150 1.00 28.99 H new ATOM 0 HE1 PHE C 56 -14.751 -25.064 -45.018 1.00 32.73 H new ATOM 0 HE2 PHE C 56 -13.360 -25.650 -41.303 1.00 30.70 H new ATOM 0 HZ PHE C 56 -13.457 -24.390 -43.217 1.00 30.74 H new ATOM 2443 N TYR C 57 -13.812 -30.612 -41.959 1.00 19.86 N ANISOU 2443 N TYR C 57 2372 2630 2544 -261 25 -181 N ATOM 2444 CA TYR C 57 -12.405 -30.751 -41.489 1.00 20.30 C ANISOU 2444 CA TYR C 57 2003 2877 2833 -100 52 -266 C ATOM 2445 C TYR C 57 -11.747 -31.903 -42.227 1.00 20.64 C ANISOU 2445 C TYR C 57 1888 2975 2976 -173 173 -376 C ATOM 2446 O TYR C 57 -10.527 -31.839 -42.461 1.00 23.09 O ANISOU 2446 O TYR C 57 1774 3467 3531 23 328 -323 O ATOM 2447 CB TYR C 57 -12.376 -30.945 -39.958 1.00 18.06 C ANISOU 2447 CB TYR C 57 1345 2666 2849 -178 -125 -212 C ATOM 2448 CG TYR C 57 -12.586 -29.625 -39.285 1.00 16.81 C ANISOU 2448 CG TYR C 57 1197 2564 2625 -363 -73 -213 C ATOM 2449 CD1 TYR C 57 -11.550 -28.726 -39.197 1.00 18.44 C ANISOU 2449 CD1 TYR C 57 1241 2538 3225 -294 -187 -117 C ATOM 2450 CD2 TYR C 57 -13.768 -29.303 -38.728 1.00 19.63 C ANISOU 2450 CD2 TYR C 57 1766 2815 2877 -234 267 -351 C ATOM 2451 CE1 TYR C 57 -11.667 -27.531 -38.573 1.00 17.46 C ANISOU 2451 CE1 TYR C 57 799 2888 2945 -34 -421 -114 C ATOM 2452 CE2 TYR C 57 -13.967 -28.073 -38.119 1.00 19.96 C ANISOU 2452 CE2 TYR C 57 1949 2926 2706 -408 79 -490 C ATOM 2453 CZ TYR C 57 -12.911 -27.211 -38.041 1.00 15.99 C ANISOU 2453 CZ TYR C 57 940 2535 2601 -222 -389 -28 C ATOM 2454 OH TYR C 57 -13.081 -25.959 -37.447 1.00 17.99 O ANISOU 2454 OH TYR C 57 1458 2478 2898 -106 -377 -303 O ATOM 0 H TYR C 57 -14.422 -30.833 -41.394 1.00 19.86 H new ATOM 0 HA TYR C 57 -11.903 -29.944 -41.683 1.00 20.30 H new ATOM 0 HB2 TYR C 57 -13.067 -31.570 -39.688 1.00 18.06 H new ATOM 0 HB3 TYR C 57 -11.526 -31.326 -39.686 1.00 18.06 H new ATOM 0 HD1 TYR C 57 -10.734 -28.949 -39.583 1.00 18.44 H new ATOM 0 HD2 TYR C 57 -14.465 -29.918 -38.752 1.00 19.63 H new ATOM 0 HE1 TYR C 57 -10.946 -26.948 -38.503 1.00 17.46 H new ATOM 0 HE2 TYR C 57 -14.798 -27.841 -37.773 1.00 19.96 H new ATOM 0 HH TYR C 57 -12.424 -25.792 -36.951 1.00 17.99 H new ATOM 2455 N ARG C 58 -12.496 -32.972 -42.546 1.00 22.70 N ANISOU 2455 N ARG C 58 2475 2948 3201 -1 124 -502 N ATOM 2456 CA ARG C 58 -11.858 -34.145 -43.246 1.00 25.14 C ANISOU 2456 CA ARG C 58 2921 3296 3334 -21 390 -502 C ATOM 2457 C ARG C 58 -11.328 -33.704 -44.585 1.00 26.11 C ANISOU 2457 C ARG C 58 2941 3474 3504 -122 466 -478 C ATOM 2458 O ARG C 58 -10.217 -34.153 -44.999 1.00 28.37 O ANISOU 2458 O ARG C 58 2797 3949 4032 -43 531 -627 O ATOM 2459 CB ARG C 58 -12.841 -35.305 -43.381 1.00 25.49 C ANISOU 2459 CB ARG C 58 2893 3244 3548 101 237 -685 C ATOM 2460 CG ARG C 58 -12.274 -36.670 -43.799 1.00 31.79 C ANISOU 2460 CG ARG C 58 4104 3790 4184 57 178 -363 C ATOM 2461 CD ARG C 58 -13.239 -37.784 -43.288 1.00 36.75 C ANISOU 2461 CD ARG C 58 4525 4279 5158 -193 58 -167 C ATOM 2462 NE ARG C 58 -13.309 -37.930 -41.821 1.00 43.65 N ANISOU 2462 NE ARG C 58 5456 5430 5697 -58 14 -254 N ATOM 2463 CZ ARG C 58 -12.319 -38.381 -41.025 1.00 47.93 C ANISOU 2463 CZ ARG C 58 6127 6002 6081 47 -85 -53 C ATOM 2464 NH1 ARG C 58 -11.126 -38.747 -41.525 1.00 48.01 N ANISOU 2464 NH1 ARG C 58 5918 5998 6323 19 -108 -88 N ATOM 2465 NH2 ARG C 58 -12.517 -38.456 -39.708 1.00 51.02 N ANISOU 2465 NH2 ARG C 58 6403 6589 6394 -8 83 -29 N ATOM 0 H ARG C 58 -13.336 -33.053 -42.382 1.00 22.70 H new ATOM 0 HA ARG C 58 -11.115 -34.468 -42.713 1.00 25.14 H new ATOM 0 HB2 ARG C 58 -13.292 -35.416 -42.529 1.00 25.49 H new ATOM 0 HB3 ARG C 58 -13.517 -35.051 -44.028 1.00 25.49 H new ATOM 0 HG2 ARG C 58 -12.186 -36.717 -44.764 1.00 31.79 H new ATOM 0 HG3 ARG C 58 -11.387 -36.795 -43.426 1.00 31.79 H new ATOM 0 HD2 ARG C 58 -14.130 -37.599 -43.623 1.00 36.75 H new ATOM 0 HD3 ARG C 58 -12.963 -38.632 -43.670 1.00 36.75 H new ATOM 0 HE ARG C 58 -14.047 -37.708 -41.440 1.00 43.65 H new ATOM 0 HH11 ARG C 58 -10.980 -38.696 -42.371 1.00 48.01 H new ATOM 0 HH12 ARG C 58 -10.508 -39.032 -40.999 1.00 48.01 H new ATOM 0 HH21 ARG C 58 -13.272 -38.218 -39.372 1.00 51.02 H new ATOM 0 HH22 ARG C 58 -11.890 -38.743 -39.194 1.00 51.02 H new ATOM 2466 N GLN C 59 -12.079 -32.858 -45.272 1.00 28.21 N ANISOU 2466 N GLN C 59 3339 3825 3554 -258 432 -380 N ATOM 2467 CA GLN C 59 -11.706 -32.329 -46.585 1.00 32.14 C ANISOU 2467 CA GLN C 59 3899 4239 4071 -305 292 -230 C ATOM 2468 C GLN C 59 -10.541 -31.347 -46.443 1.00 33.71 C ANISOU 2468 C GLN C 59 4055 4471 4280 -338 342 -229 C ATOM 2469 O GLN C 59 -9.527 -31.469 -47.164 1.00 35.85 O ANISOU 2469 O GLN C 59 4125 4839 4655 -436 317 -300 O ATOM 2470 CB GLN C 59 -12.920 -31.646 -47.234 1.00 33.66 C ANISOU 2470 CB GLN C 59 4352 4401 4035 -151 236 -44 C ATOM 2471 CG GLN C 59 -13.683 -32.474 -48.288 1.00 39.43 C ANISOU 2471 CG GLN C 59 5014 4787 5179 -173 -51 -198 C ATOM 2472 CD GLN C 59 -12.899 -32.659 -49.614 1.00 46.27 C ANISOU 2472 CD GLN C 59 5870 6047 5661 -167 5 -24 C ATOM 2473 OE1 GLN C 59 -11.663 -32.531 -49.658 1.00 50.43 O ANISOU 2473 OE1 GLN C 59 6005 6575 6578 -29 -100 -5 O ATOM 2474 NE2 GLN C 59 -13.624 -32.980 -50.700 1.00 48.11 N ANISOU 2474 NE2 GLN C 59 6118 6181 5980 -148 -212 -144 N ATOM 0 H GLN C 59 -12.836 -32.566 -44.987 1.00 28.21 H new ATOM 0 HA GLN C 59 -11.420 -33.059 -47.156 1.00 32.14 H new ATOM 0 HB2 GLN C 59 -13.542 -31.398 -46.532 1.00 33.66 H new ATOM 0 HB3 GLN C 59 -12.620 -30.823 -47.651 1.00 33.66 H new ATOM 0 HG2 GLN C 59 -13.888 -33.347 -47.917 1.00 39.43 H new ATOM 0 HG3 GLN C 59 -14.530 -32.041 -48.479 1.00 39.43 H new ATOM 0 HE21 GLN C 59 -14.478 -33.062 -50.638 1.00 48.11 H new ATOM 0 HE22 GLN C 59 -13.234 -33.104 -51.456 1.00 48.11 H new ATOM 2475 N GLY C 60 -10.670 -30.394 -45.520 1.00 34.04 N ANISOU 2475 N GLY C 60 4097 4484 4349 -404 163 -190 N ATOM 2476 CA GLY C 60 -9.563 -29.425 -45.281 1.00 36.30 C ANISOU 2476 CA GLY C 60 4344 4775 4672 -342 162 -182 C ATOM 2477 C GLY C 60 -8.286 -30.047 -44.729 1.00 37.02 C ANISOU 2477 C GLY C 60 4316 4934 4815 -301 134 -166 C ATOM 2478 O GLY C 60 -7.161 -29.590 -45.056 1.00 39.45 O ANISOU 2478 O GLY C 60 4595 5360 5031 -343 210 -185 O ATOM 0 H GLY C 60 -11.366 -30.282 -45.027 1.00 34.04 H new ATOM 0 HA2 GLY C 60 -9.356 -28.976 -46.115 1.00 36.30 H new ATOM 0 HA3 GLY C 60 -9.872 -28.745 -44.662 1.00 36.30 H new ATOM 2479 N LEU C 61 -8.449 -31.058 -43.886 1.00 37.49 N ANISOU 2479 N LEU C 61 4404 5026 4813 -151 23 -211 N ATOM 2480 CA LEU C 61 -7.368 -31.765 -43.219 1.00 36.59 C ANISOU 2480 CA LEU C 61 4075 4953 4873 -24 44 -216 C ATOM 2481 C LEU C 61 -7.363 -33.273 -43.558 1.00 39.51 C ANISOU 2481 C LEU C 61 4698 5067 5244 24 2 -31 C ATOM 2482 O LEU C 61 -6.951 -34.118 -42.712 1.00 40.79 O ANISOU 2482 O LEU C 61 5030 5131 5337 272 86 62 O ATOM 2483 CB LEU C 61 -7.455 -31.612 -41.684 1.00 35.91 C ANISOU 2483 CB LEU C 61 3753 4954 4934 -146 -125 -283 C ATOM 2484 CG LEU C 61 -7.660 -30.271 -41.001 1.00 29.07 C ANISOU 2484 CG LEU C 61 1950 4674 4418 -375 -6 -251 C ATOM 2485 CD1 LEU C 61 -7.927 -30.526 -39.517 1.00 26.74 C ANISOU 2485 CD1 LEU C 61 1509 4339 4309 -336 -683 -404 C ATOM 2486 CD2 LEU C 61 -6.363 -29.484 -41.164 1.00 31.54 C ANISOU 2486 CD2 LEU C 61 2395 4700 4887 -701 43 -364 C ATOM 0 H LEU C 61 -9.226 -31.363 -43.679 1.00 37.49 H new ATOM 0 HA LEU C 61 -6.547 -31.363 -43.544 1.00 36.59 H new ATOM 0 HB2 LEU C 61 -8.180 -32.185 -41.390 1.00 35.91 H new ATOM 0 HB3 LEU C 61 -6.635 -31.984 -41.323 1.00 35.91 H new ATOM 0 HG LEU C 61 -8.405 -29.780 -41.382 1.00 29.07 H new ATOM 0 HD11 LEU C 61 -8.061 -29.680 -39.062 1.00 26.74 H new ATOM 0 HD12 LEU C 61 -8.722 -31.074 -39.420 1.00 26.74 H new ATOM 0 HD13 LEU C 61 -7.168 -30.986 -39.126 1.00 26.74 H new ATOM 0 HD21 LEU C 61 -6.455 -28.617 -40.739 1.00 31.54 H new ATOM 0 HD22 LEU C 61 -5.634 -29.972 -40.749 1.00 31.54 H new ATOM 0 HD23 LEU C 61 -6.175 -29.362 -42.108 1.00 31.54 H new ATOM 2487 N LYS C 65 -0.377 -33.037 -45.064 1.00 35.10 N ANISOU 2487 N LYS C 65 4691 4116 4529 61 14 -257 N ATOM 2488 CA LYS C 65 0.297 -32.433 -43.931 1.00 33.52 C ANISOU 2488 CA LYS C 65 4333 3918 4486 149 21 -155 C ATOM 2489 C LYS C 65 -0.167 -30.965 -43.805 1.00 32.06 C ANISOU 2489 C LYS C 65 4166 3755 4258 92 95 -112 C ATOM 2490 O LYS C 65 -0.082 -30.184 -44.745 1.00 32.30 O ANISOU 2490 O LYS C 65 4370 3732 4169 283 145 -118 O ATOM 2491 CB LYS C 65 1.794 -32.523 -44.180 1.00 35.82 C ANISOU 2491 CB LYS C 65 4465 4344 4800 26 -1 -78 C ATOM 2492 CG LYS C 65 2.681 -31.947 -43.059 1.00 36.83 C ANISOU 2492 CG LYS C 65 4658 4506 4827 32 -80 -124 C ATOM 2493 CD LYS C 65 4.135 -32.121 -43.487 1.00 42.65 C ANISOU 2493 CD LYS C 65 5166 5387 5650 7 -89 -47 C ATOM 2494 CE LYS C 65 5.043 -31.105 -42.835 1.00 43.59 C ANISOU 2494 CE LYS C 65 5477 5266 5817 -101 -225 39 C ATOM 2495 NZ LYS C 65 5.863 -30.515 -43.948 1.00 45.63 N ANISOU 2495 NZ LYS C 65 5623 5991 5722 5 28 -74 N ATOM 0 HA LYS C 65 0.086 -32.889 -43.101 1.00 33.52 H new ATOM 0 HB2 LYS C 65 2.030 -33.454 -44.313 1.00 35.82 H new ATOM 0 HB3 LYS C 65 1.999 -32.058 -45.006 1.00 35.82 H new ATOM 0 HG2 LYS C 65 2.479 -31.010 -42.912 1.00 36.83 H new ATOM 0 HG3 LYS C 65 2.515 -32.408 -42.222 1.00 36.83 H new ATOM 0 HD2 LYS C 65 4.434 -33.015 -43.258 1.00 42.65 H new ATOM 0 HD3 LYS C 65 4.199 -32.039 -44.451 1.00 42.65 H new ATOM 0 HE2 LYS C 65 4.529 -30.420 -42.381 1.00 43.59 H new ATOM 0 HE3 LYS C 65 5.610 -31.523 -42.168 1.00 43.59 H new ATOM 0 HZ1 LYS C 65 6.595 -30.138 -43.610 1.00 45.63 H new ATOM 0 HZ2 LYS C 65 6.097 -31.158 -44.518 1.00 45.63 H new ATOM 0 HZ3 LYS C 65 5.383 -29.900 -44.376 1.00 45.63 H new ATOM 2496 N VAL C 66 -0.699 -30.620 -42.649 1.00 28.97 N ANISOU 2496 N VAL C 66 3835 3260 3912 139 130 -203 N ATOM 2497 CA VAL C 66 -1.148 -29.243 -42.389 1.00 27.87 C ANISOU 2497 CA VAL C 66 3269 3347 3974 200 116 -215 C ATOM 2498 C VAL C 66 -0.497 -28.836 -41.097 1.00 26.78 C ANISOU 2498 C VAL C 66 3185 3187 3801 282 144 -144 C ATOM 2499 O VAL C 66 -0.280 -29.691 -40.213 1.00 29.11 O ANISOU 2499 O VAL C 66 3740 3310 4011 156 130 -117 O ATOM 2500 CB VAL C 66 -2.729 -29.179 -42.246 1.00 28.32 C ANISOU 2500 CB VAL C 66 3360 3482 3917 285 135 -269 C ATOM 2501 CG1 VAL C 66 -3.151 -27.807 -41.748 1.00 26.50 C ANISOU 2501 CG1 VAL C 66 2565 3419 4084 -19 38 -519 C ATOM 2502 CG2 VAL C 66 -3.385 -29.506 -43.565 1.00 28.34 C ANISOU 2502 CG2 VAL C 66 2870 3599 4298 -256 4 -250 C ATOM 0 H VAL C 66 -0.814 -31.162 -41.992 1.00 28.97 H new ATOM 0 HA VAL C 66 -0.905 -28.653 -43.119 1.00 27.87 H new ATOM 0 HB VAL C 66 -3.018 -29.839 -41.596 1.00 28.32 H new ATOM 0 HG11 VAL C 66 -4.117 -27.776 -41.663 1.00 26.50 H new ATOM 0 HG12 VAL C 66 -2.746 -27.638 -40.883 1.00 26.50 H new ATOM 0 HG13 VAL C 66 -2.860 -27.130 -42.379 1.00 26.50 H new ATOM 0 HG21 VAL C 66 -4.349 -29.464 -43.466 1.00 28.34 H new ATOM 0 HG22 VAL C 66 -3.101 -28.865 -44.236 1.00 28.34 H new ATOM 0 HG23 VAL C 66 -3.127 -30.399 -43.842 1.00 28.34 H new ATOM 2503 N ARG C 67 -0.127 -27.567 -40.979 1.00 22.73 N ANISOU 2503 N ARG C 67 2065 2899 3670 566 212 -231 N ATOM 2504 CA ARG C 67 0.367 -27.052 -39.719 1.00 23.69 C ANISOU 2504 CA ARG C 67 2483 2952 3567 579 206 -193 C ATOM 2505 C ARG C 67 -0.533 -25.896 -39.335 1.00 21.53 C ANISOU 2505 C ARG C 67 2194 2717 3268 464 168 -125 C ATOM 2506 O ARG C 67 -0.957 -25.189 -40.188 1.00 21.23 O ANISOU 2506 O ARG C 67 2195 2759 3113 422 47 -236 O ATOM 2507 CB ARG C 67 1.818 -26.511 -39.937 1.00 25.75 C ANISOU 2507 CB ARG C 67 2482 3503 3797 544 64 -194 C ATOM 2508 CG ARG C 67 3.023 -27.461 -39.815 1.00 31.99 C ANISOU 2508 CG ARG C 67 3481 4055 4619 296 34 -174 C ATOM 2509 CD ARG C 67 4.316 -26.613 -39.714 1.00 35.28 C ANISOU 2509 CD ARG C 67 3715 4737 4953 -10 42 -130 C ATOM 2510 NE ARG C 67 4.957 -26.520 -41.025 1.00 38.90 N ANISOU 2510 NE ARG C 67 4058 5650 5072 -169 -87 -124 N ATOM 2511 CZ ARG C 67 5.573 -27.550 -41.593 1.00 41.79 C ANISOU 2511 CZ ARG C 67 4889 5417 5571 -170 -166 -221 C ATOM 2512 NH1 ARG C 67 5.633 -28.705 -40.954 1.00 45.64 N ANISOU 2512 NH1 ARG C 67 5445 5978 5916 -125 -154 -26 N ATOM 2513 NH2 ARG C 67 6.140 -27.431 -42.780 1.00 47.34 N ANISOU 2513 NH2 ARG C 67 5808 6144 6034 -60 -48 -44 N ATOM 0 H ARG C 67 -0.156 -26.992 -41.618 1.00 22.73 H new ATOM 0 HA ARG C 67 0.374 -27.737 -39.032 1.00 23.69 H new ATOM 0 HB2 ARG C 67 1.849 -26.119 -40.824 1.00 25.75 H new ATOM 0 HB3 ARG C 67 1.955 -25.790 -39.303 1.00 25.75 H new ATOM 0 HG2 ARG C 67 2.929 -28.025 -39.031 1.00 31.99 H new ATOM 0 HG3 ARG C 67 3.066 -28.050 -40.585 1.00 31.99 H new ATOM 0 HD2 ARG C 67 4.105 -25.725 -39.385 1.00 35.28 H new ATOM 0 HD3 ARG C 67 4.926 -27.014 -39.075 1.00 35.28 H new ATOM 0 HE ARG C 67 4.934 -25.769 -41.444 1.00 38.90 H new ATOM 0 HH11 ARG C 67 5.275 -28.785 -40.176 1.00 45.64 H new ATOM 0 HH12 ARG C 67 6.030 -29.376 -41.316 1.00 45.64 H new ATOM 0 HH21 ARG C 67 6.113 -26.679 -43.196 1.00 47.34 H new ATOM 0 HH22 ARG C 67 6.536 -28.106 -43.137 1.00 47.34 H new ATOM 2514 N ALA C 68 -0.696 -25.663 -38.049 1.00 19.58 N ANISOU 2514 N ALA C 68 1768 2471 3199 433 258 -116 N ATOM 2515 CA ALA C 68 -1.391 -24.449 -37.655 1.00 18.83 C ANISOU 2515 CA ALA C 68 1837 2327 2988 338 7 -206 C ATOM 2516 C ALA C 68 -0.763 -23.910 -36.423 1.00 18.85 C ANISOU 2516 C ALA C 68 1848 2398 2914 126 175 -62 C ATOM 2517 O ALA C 68 -0.522 -24.652 -35.467 1.00 20.34 O ANISOU 2517 O ALA C 68 2058 2482 3185 103 -164 42 O ATOM 2518 CB ALA C 68 -2.901 -24.749 -37.392 1.00 19.48 C ANISOU 2518 CB ALA C 68 1920 2452 3030 127 -146 -126 C ATOM 0 H ALA C 68 -0.426 -26.169 -37.408 1.00 19.58 H new ATOM 0 HA ALA C 68 -1.327 -23.796 -38.370 1.00 18.83 H new ATOM 0 HB1 ALA C 68 -3.353 -23.932 -37.130 1.00 19.48 H new ATOM 0 HB2 ALA C 68 -3.307 -25.098 -38.201 1.00 19.48 H new ATOM 0 HB3 ALA C 68 -2.982 -25.404 -36.681 1.00 19.48 H new ATOM 2519 N CYS C 69 -0.575 -22.606 -36.398 1.00 19.13 N ANISOU 2519 N CYS C 69 1884 2290 3091 -22 77 -126 N ATOM 2520 CA ACYS C 69 -0.019 -22.024 -35.188 0.30 19.49 C ANISOU 2520 CA ACYS C 69 1931 2507 2968 119 -92 -38 C ATOM 2521 CA BCYS C 69 0.117 -21.929 -35.287 0.70 19.28 C ANISOU 2521 CA BCYS C 69 1788 2529 3005 173 -88 1 C ATOM 2522 C CYS C 69 -0.666 -20.694 -34.920 1.00 17.54 C ANISOU 2522 C CYS C 69 1646 2266 2752 79 -302 23 C ATOM 2523 O CYS C 69 -0.980 -19.943 -35.826 1.00 17.59 O ANISOU 2523 O CYS C 69 1311 2597 2773 241 -93 -11 O ATOM 2524 CB ACYS C 69 1.481 -21.817 -35.332 0.30 22.54 C ANISOU 2524 CB ACYS C 69 2391 2903 3270 -43 -203 -87 C ATOM 2525 CB BCYS C 69 1.540 -21.456 -35.726 0.70 22.07 C ANISOU 2525 CB BCYS C 69 2206 2883 3297 -96 -41 33 C ATOM 2526 SG ACYS C 69 1.729 -20.837 -36.747 0.30 26.10 S ANISOU 2526 SG ACYS C 69 2248 3613 4055 252 110 108 S ATOM 2527 SG BCYS C 69 2.705 -22.879 -35.836 0.70 33.79 S ANISOU 2527 SG BCYS C 69 3032 4054 5752 19 201 326 S ATOM 0 H ACYS C 69 -0.752 -22.058 -37.037 0.30 19.13 H new ATOM 0 H BCYS C 69 -0.841 -22.075 -37.020 0.70 19.13 H new ATOM 0 HA ACYS C 69 -0.189 -22.633 -34.453 0.30 19.28 H new ATOM 0 HA BCYS C 69 0.190 -22.550 -34.545 0.70 19.28 H new ATOM 0 HB2ACYS C 69 1.844 -21.381 -34.545 0.30 22.07 H new ATOM 0 HB2BCYS C 69 1.485 -21.011 -36.586 0.70 22.07 H new ATOM 0 HB3ACYS C 69 1.938 -22.668 -35.420 0.30 22.07 H new ATOM 0 HB3BCYS C 69 1.878 -20.805 -35.091 0.70 22.07 H new ATOM 0 HG ACYS C 69 0.774 -20.130 -36.917 0.30 33.79 H new ATOM 0 HG BCYS C 69 2.934 -23.121 -36.989 0.70 33.79 H new ATOM 2528 N LEU C 70 -0.885 -20.443 -33.648 1.00 17.86 N ANISOU 2528 N LEU C 70 1656 2346 2783 35 -281 -107 N ATOM 2529 CA LEU C 70 -1.326 -19.101 -33.223 1.00 17.45 C ANISOU 2529 CA LEU C 70 1116 2658 2857 38 -306 54 C ATOM 2530 C LEU C 70 -0.264 -18.095 -33.630 1.00 16.75 C ANISOU 2530 C LEU C 70 551 2740 3073 -197 -316 -157 C ATOM 2531 O LEU C 70 0.961 -18.360 -33.507 1.00 20.74 O ANISOU 2531 O LEU C 70 1025 2907 3947 160 -367 -113 O ATOM 2532 CB LEU C 70 -1.417 -18.978 -31.763 1.00 17.16 C ANISOU 2532 CB LEU C 70 400 3303 2814 -34 -99 -67 C ATOM 2533 CG LEU C 70 -2.628 -19.603 -31.149 1.00 19.72 C ANISOU 2533 CG LEU C 70 1266 3462 2764 138 -351 117 C ATOM 2534 CD1 LEU C 70 -2.566 -19.755 -29.646 1.00 24.61 C ANISOU 2534 CD1 LEU C 70 2681 3936 2731 257 -225 371 C ATOM 2535 CD2 LEU C 70 -3.882 -18.722 -31.408 1.00 18.52 C ANISOU 2535 CD2 LEU C 70 903 3253 2880 79 -364 300 C ATOM 0 H LEU C 70 -0.791 -21.015 -33.012 1.00 17.86 H new ATOM 0 HA LEU C 70 -2.194 -18.950 -33.629 1.00 17.45 H new ATOM 0 HB2 LEU C 70 -0.627 -19.380 -31.369 1.00 17.16 H new ATOM 0 HB3 LEU C 70 -1.403 -18.037 -31.530 1.00 17.16 H new ATOM 0 HG LEU C 70 -2.672 -20.480 -31.562 1.00 19.72 H new ATOM 0 HD11 LEU C 70 -3.385 -20.166 -29.328 1.00 24.61 H new ATOM 0 HD12 LEU C 70 -1.810 -20.315 -29.408 1.00 24.61 H new ATOM 0 HD13 LEU C 70 -2.463 -18.882 -29.236 1.00 24.61 H new ATOM 0 HD21 LEU C 70 -4.659 -19.139 -31.005 1.00 18.52 H new ATOM 0 HD22 LEU C 70 -3.747 -17.844 -31.018 1.00 18.52 H new ATOM 0 HD23 LEU C 70 -4.023 -18.632 -32.364 1.00 18.52 H new ATOM 2536 N THR C 71 -0.665 -16.951 -34.144 1.00 16.80 N ANISOU 2536 N THR C 71 1076 2438 2867 -103 -202 -82 N ATOM 2537 CA THR C 71 0.249 -15.877 -34.512 1.00 17.37 C ANISOU 2537 CA THR C 71 972 2602 3023 -32 -59 32 C ATOM 2538 C THR C 71 0.058 -14.676 -33.607 1.00 17.21 C ANISOU 2538 C THR C 71 1227 2619 2693 -274 -224 -35 C ATOM 2539 O THR C 71 0.647 -13.621 -33.865 1.00 20.91 O ANISOU 2539 O THR C 71 1940 2676 3329 -391 -41 34 O ATOM 2540 CB THR C 71 0.109 -15.547 -35.947 1.00 18.41 C ANISOU 2540 CB THR C 71 1002 2963 3029 -113 -124 -41 C ATOM 2541 OG1 THR C 71 -1.250 -15.346 -36.216 1.00 20.25 O ANISOU 2541 OG1 THR C 71 1098 3327 3269 -135 -252 201 O ATOM 2542 CG2 THR C 71 0.593 -16.692 -36.888 1.00 21.94 C ANISOU 2542 CG2 THR C 71 1908 3128 3299 -220 15 -337 C ATOM 0 H THR C 71 -1.492 -16.767 -34.294 1.00 16.80 H new ATOM 0 HA THR C 71 1.162 -16.177 -34.382 1.00 17.37 H new ATOM 0 HB THR C 71 0.654 -14.763 -36.115 1.00 18.41 H new ATOM 0 HG1 THR C 71 -1.391 -14.530 -36.355 1.00 20.25 H new ATOM 0 HG21 THR C 71 0.478 -16.422 -37.812 1.00 21.94 H new ATOM 0 HG22 THR C 71 1.530 -16.875 -36.719 1.00 21.94 H new ATOM 0 HG23 THR C 71 0.072 -17.492 -36.719 1.00 21.94 H new ATOM 2543 N GLY C 72 -0.668 -14.875 -32.507 1.00 16.41 N ANISOU 2543 N GLY C 72 1007 2460 2768 -343 -143 -83 N ATOM 2544 CA GLY C 72 -0.819 -13.885 -31.484 1.00 17.32 C ANISOU 2544 CA GLY C 72 1470 2507 2600 -117 -95 -194 C ATOM 2545 C GLY C 72 -1.666 -14.481 -30.371 1.00 15.34 C ANISOU 2545 C GLY C 72 938 2308 2580 190 -317 -64 C ATOM 2546 O GLY C 72 -2.163 -15.608 -30.525 1.00 18.44 O ANISOU 2546 O GLY C 72 1759 2439 2808 -29 -215 -68 O ATOM 0 H GLY C 72 -1.088 -15.608 -32.345 1.00 16.41 H new ATOM 0 HA2 GLY C 72 0.048 -13.616 -31.143 1.00 17.32 H new ATOM 0 HA3 GLY C 72 -1.242 -13.089 -31.843 1.00 17.32 H new ATOM 2547 N PRO C 73 -1.841 -13.763 -29.263 1.00 16.81 N ANISOU 2547 N PRO C 73 1324 2383 2678 -109 -235 -176 N ATOM 2548 CA PRO C 73 -2.648 -14.321 -28.167 1.00 16.86 C ANISOU 2548 CA PRO C 73 1396 2511 2498 12 -404 -112 C ATOM 2549 C PRO C 73 -4.133 -14.464 -28.503 1.00 15.38 C ANISOU 2549 C PRO C 73 1088 2340 2413 -16 -335 -37 C ATOM 2550 O PRO C 73 -4.654 -13.751 -29.384 1.00 14.93 O ANISOU 2550 O PRO C 73 998 2154 2520 -100 -501 77 O ATOM 2551 CB PRO C 73 -2.489 -13.308 -27.039 1.00 19.41 C ANISOU 2551 CB PRO C 73 1999 2749 2624 -426 -255 -161 C ATOM 2552 CG PRO C 73 -2.005 -12.022 -27.738 1.00 22.22 C ANISOU 2552 CG PRO C 73 2745 2847 2849 -232 -63 -108 C ATOM 2553 CD PRO C 73 -1.346 -12.396 -28.998 1.00 19.11 C ANISOU 2553 CD PRO C 73 1877 2557 2826 -265 -64 -180 C ATOM 0 HA PRO C 73 -2.348 -15.219 -27.955 1.00 16.86 H new ATOM 0 HB2 PRO C 73 -3.328 -13.163 -26.574 1.00 19.41 H new ATOM 0 HB3 PRO C 73 -1.848 -13.613 -26.378 1.00 19.41 H new ATOM 0 HG2 PRO C 73 -2.754 -11.431 -27.912 1.00 22.22 H new ATOM 0 HG3 PRO C 73 -1.389 -11.539 -27.166 1.00 22.22 H new ATOM 0 HD2 PRO C 73 -1.580 -11.787 -29.716 1.00 19.11 H new ATOM 0 HD3 PRO C 73 -0.380 -12.377 -28.914 1.00 19.11 H new ATOM 2554 N VAL C 74 -4.751 -15.424 -27.836 1.00 15.09 N ANISOU 2554 N VAL C 74 1216 2146 2370 77 -572 6 N ATOM 2555 CA VAL C 74 -6.198 -15.493 -27.866 1.00 15.32 C ANISOU 2555 CA VAL C 74 1204 2225 2389 42 -438 75 C ATOM 2556 C VAL C 74 -6.754 -14.279 -27.150 1.00 15.84 C ANISOU 2556 C VAL C 74 1708 2144 2165 -158 -235 16 C ATOM 2557 O VAL C 74 -6.304 -13.919 -26.045 1.00 17.30 O ANISOU 2557 O VAL C 74 1763 2610 2199 110 -359 -253 O ATOM 2558 CB VAL C 74 -6.678 -16.790 -27.183 1.00 15.47 C ANISOU 2558 CB VAL C 74 1279 2143 2453 -241 -336 118 C ATOM 2559 CG1 VAL C 74 -8.190 -16.784 -27.158 1.00 17.11 C ANISOU 2559 CG1 VAL C 74 1547 2438 2513 -257 -299 88 C ATOM 2560 CG2 VAL C 74 -6.217 -18.032 -27.926 1.00 18.08 C ANISOU 2560 CG2 VAL C 74 1820 2201 2846 -275 -339 69 C ATOM 0 H VAL C 74 -4.361 -16.032 -27.370 1.00 15.09 H new ATOM 0 HA VAL C 74 -6.512 -15.501 -28.784 1.00 15.32 H new ATOM 0 HB VAL C 74 -6.302 -16.817 -26.289 1.00 15.47 H new ATOM 0 HG11 VAL C 74 -8.510 -17.594 -26.731 1.00 17.11 H new ATOM 0 HG12 VAL C 74 -8.503 -16.012 -26.661 1.00 17.11 H new ATOM 0 HG13 VAL C 74 -8.529 -16.742 -28.066 1.00 17.11 H new ATOM 0 HG21 VAL C 74 -6.539 -18.823 -27.466 1.00 18.08 H new ATOM 0 HG22 VAL C 74 -6.570 -18.018 -28.829 1.00 18.08 H new ATOM 0 HG23 VAL C 74 -5.248 -18.049 -27.958 1.00 18.08 H new ATOM 2561 N ARG C 75 -7.775 -13.638 -27.744 1.00 15.16 N ANISOU 2561 N ARG C 75 1425 2022 2310 -247 -466 -149 N ATOM 2562 CA ARG C 75 -8.510 -12.509 -27.095 1.00 15.39 C ANISOU 2562 CA ARG C 75 1312 2401 2132 -243 -184 -125 C ATOM 2563 C ARG C 75 -9.819 -13.102 -26.588 1.00 17.89 C ANISOU 2563 C ARG C 75 1856 2764 2175 -477 -208 -171 C ATOM 2564 O ARG C 75 -10.611 -13.528 -27.379 1.00 22.08 O ANISOU 2564 O ARG C 75 1978 4117 2293 -994 197 -370 O ATOM 2565 CB ARG C 75 -8.808 -11.380 -28.080 1.00 16.74 C ANISOU 2565 CB ARG C 75 1444 2578 2339 -308 -465 -183 C ATOM 2566 CG ARG C 75 -7.604 -10.440 -28.310 1.00 15.43 C ANISOU 2566 CG ARG C 75 738 2416 2706 -291 -421 -156 C ATOM 2567 CD ARG C 75 -6.390 -11.083 -28.982 1.00 16.23 C ANISOU 2567 CD ARG C 75 960 2393 2811 -121 -338 153 C ATOM 2568 NE ARG C 75 -5.584 -9.974 -29.506 1.00 16.21 N ANISOU 2568 NE ARG C 75 1078 2289 2791 23 56 -112 N ATOM 2569 CZ ARG C 75 -4.531 -10.127 -30.298 1.00 14.43 C ANISOU 2569 CZ ARG C 75 632 2433 2415 138 -479 -63 C ATOM 2570 NH1 ARG C 75 -4.101 -11.339 -30.713 1.00 17.39 N ANISOU 2570 NH1 ARG C 75 2006 2116 2484 320 -303 -258 N ATOM 2571 NH2 ARG C 75 -3.989 -8.996 -30.791 1.00 16.58 N ANISOU 2571 NH2 ARG C 75 1396 2354 2550 -593 0 -17 N ATOM 0 H ARG C 75 -8.066 -13.837 -28.529 1.00 15.16 H new ATOM 0 HA ARG C 75 -7.974 -12.123 -26.384 1.00 15.39 H new ATOM 0 HB2 ARG C 75 -9.079 -11.763 -28.929 1.00 16.74 H new ATOM 0 HB3 ARG C 75 -9.558 -10.861 -27.751 1.00 16.74 H new ATOM 0 HG2 ARG C 75 -7.897 -9.691 -28.853 1.00 15.43 H new ATOM 0 HG3 ARG C 75 -7.327 -10.078 -27.454 1.00 15.43 H new ATOM 0 HD2 ARG C 75 -5.882 -11.612 -28.348 1.00 16.23 H new ATOM 0 HD3 ARG C 75 -6.664 -11.681 -29.695 1.00 16.23 H new ATOM 0 HE ARG C 75 -5.809 -9.174 -29.285 1.00 16.21 H new ATOM 0 HH11 ARG C 75 -4.515 -12.051 -30.463 1.00 17.39 H new ATOM 0 HH12 ARG C 75 -3.414 -11.399 -31.227 1.00 17.39 H new ATOM 0 HH21 ARG C 75 -4.328 -8.232 -30.587 1.00 16.58 H new ATOM 0 HH22 ARG C 75 -3.304 -9.038 -31.310 1.00 16.58 H new ATOM 2572 N ALA C 76 -10.024 -13.134 -25.293 1.00 19.72 N ANISOU 2572 N ALA C 76 2411 2858 2221 -534 -9 -180 N ATOM 2573 CA ALA C 76 -11.252 -13.775 -24.782 1.00 19.42 C ANISOU 2573 CA ALA C 76 2399 2751 2229 -233 74 -122 C ATOM 2574 C ALA C 76 -12.056 -12.709 -24.137 1.00 22.13 C ANISOU 2574 C ALA C 76 2707 2975 2726 -347 40 -416 C ATOM 2575 O ALA C 76 -11.461 -11.811 -23.518 1.00 27.50 O ANISOU 2575 O ALA C 76 3568 3401 3478 -492 68 -647 O ATOM 2576 CB ALA C 76 -10.859 -14.857 -23.758 1.00 22.24 C ANISOU 2576 CB ALA C 76 2966 3016 2467 -163 -101 -110 C ATOM 0 H ALA C 76 -9.497 -12.808 -24.697 1.00 19.72 H new ATOM 0 HA ALA C 76 -11.763 -14.198 -25.489 1.00 19.42 H new ATOM 0 HB1 ALA C 76 -11.659 -15.285 -23.416 1.00 22.24 H new ATOM 0 HB2 ALA C 76 -10.297 -15.520 -24.188 1.00 22.24 H new ATOM 0 HB3 ALA C 76 -10.373 -14.448 -23.025 1.00 22.24 H new ATOM 2577 N SER C 77 -13.381 -12.856 -24.140 1.00 22.79 N ANISOU 2577 N SER C 77 2588 3028 3039 64 -13 -411 N ATOM 2578 CA SER C 77 -14.351 -11.934 -23.505 1.00 24.20 C ANISOU 2578 CA SER C 77 2592 3319 3284 126 -136 -344 C ATOM 2579 C SER C 77 -14.844 -12.540 -22.218 1.00 25.90 C ANISOU 2579 C SER C 77 2898 3513 3430 -76 1 -343 C ATOM 2580 O SER C 77 -14.483 -13.641 -21.862 1.00 27.55 O ANISOU 2580 O SER C 77 2997 3917 3553 37 314 -195 O ATOM 2581 CB SER C 77 -15.592 -11.749 -24.401 1.00 25.43 C ANISOU 2581 CB SER C 77 2743 3358 3558 -58 -370 -356 C ATOM 2582 OG SER C 77 -16.412 -12.938 -24.351 1.00 28.74 O ANISOU 2582 OG SER C 77 3321 3674 3922 -166 251 -533 O ATOM 0 H SER C 77 -13.764 -13.522 -24.527 1.00 22.79 H new ATOM 0 HA SER C 77 -13.903 -11.086 -23.360 1.00 24.20 H new ATOM 0 HB2 SER C 77 -16.104 -10.980 -24.105 1.00 25.43 H new ATOM 0 HB3 SER C 77 -15.318 -11.573 -25.315 1.00 25.43 H new ATOM 0 HG SER C 77 -17.223 -12.722 -24.394 1.00 28.74 H new ATOM 2583 N HIS C 78 -15.781 -11.854 -21.575 1.00 27.87 N ANISOU 2583 N HIS C 78 3151 3924 3514 -182 49 -423 N ATOM 2584 CA HIS C 78 -16.410 -12.385 -20.376 1.00 28.43 C ANISOU 2584 CA HIS C 78 3289 4076 3436 -255 150 -408 C ATOM 2585 C HIS C 78 -17.797 -12.977 -20.593 1.00 28.68 C ANISOU 2585 C HIS C 78 3265 4166 3465 -292 255 -376 C ATOM 2586 O HIS C 78 -18.582 -13.189 -19.633 1.00 32.39 O ANISOU 2586 O HIS C 78 3709 4671 3923 -465 349 -547 O ATOM 2587 CB HIS C 78 -16.442 -11.304 -19.313 1.00 29.29 C ANISOU 2587 CB HIS C 78 3518 4059 3549 -95 -9 -331 C ATOM 2588 CG HIS C 78 -15.104 -11.090 -18.698 1.00 29.38 C ANISOU 2588 CG HIS C 78 3682 3962 3518 -306 -44 -428 C ATOM 2589 ND1 HIS C 78 -14.443 -12.107 -18.044 1.00 32.90 N ANISOU 2589 ND1 HIS C 78 4092 4342 4066 -185 -231 -160 N ATOM 2590 CD2 HIS C 78 -14.274 -10.026 -18.685 1.00 30.32 C ANISOU 2590 CD2 HIS C 78 3567 4171 3780 -105 153 9 C ATOM 2591 CE1 HIS C 78 -13.284 -11.656 -17.598 1.00 31.82 C ANISOU 2591 CE1 HIS C 78 3988 4188 3914 -238 -75 -150 C ATOM 2592 NE2 HIS C 78 -13.166 -10.398 -17.975 1.00 28.32 N ANISOU 2592 NE2 HIS C 78 3143 4145 3470 -112 384 -106 N ATOM 0 H HIS C 78 -16.066 -11.080 -21.817 1.00 27.87 H new ATOM 0 HA HIS C 78 -15.867 -13.135 -20.087 1.00 28.43 H new ATOM 0 HB2 HIS C 78 -16.753 -10.474 -19.706 1.00 29.29 H new ATOM 0 HB3 HIS C 78 -17.079 -11.548 -18.623 1.00 29.29 H new ATOM 0 HD2 HIS C 78 -14.426 -9.199 -19.082 1.00 30.32 H new ATOM 0 HE1 HIS C 78 -12.661 -12.140 -17.105 1.00 31.82 H new ATOM 0 HE2 HIS C 78 -12.495 -9.889 -17.801 1.00 28.32 H new ATOM 2593 N ASN C 79 -18.095 -13.272 -21.835 1.00 27.99 N ANISOU 2593 N ASN C 79 2911 4004 3719 -227 115 -658 N ATOM 2594 CA ASN C 79 -19.416 -13.824 -22.174 1.00 29.83 C ANISOU 2594 CA ASN C 79 3297 4229 3807 -294 212 -597 C ATOM 2595 C ASN C 79 -19.288 -15.053 -23.037 1.00 28.47 C ANISOU 2595 C ASN C 79 3205 4050 3560 -252 254 -651 C ATOM 2596 O ASN C 79 -20.147 -15.357 -23.854 1.00 29.87 O ANISOU 2596 O ASN C 79 2879 4649 3819 -334 445 -630 O ATOM 2597 CB ASN C 79 -20.281 -12.757 -22.801 1.00 31.71 C ANISOU 2597 CB ASN C 79 3721 4210 4116 -165 64 -605 C ATOM 2598 CG ASN C 79 -19.782 -12.205 -24.117 1.00 35.92 C ANISOU 2598 CG ASN C 79 4400 4716 4531 -144 -82 -280 C ATOM 2599 OD1 ASN C 79 -18.644 -12.646 -24.595 1.00 44.50 O flip ANISOU 2599 OD1 ASN C 79 5579 5462 5865 116 -214 -36 O ATOM 2600 ND2 ASN C 79 -20.463 -11.365 -24.706 1.00 39.34 N flip ANISOU 2600 ND2 ASN C 79 4662 5229 5053 -159 -100 -303 N ATOM 0 H ASN C 79 -17.563 -13.167 -22.503 1.00 27.99 H new ATOM 0 HA ASN C 79 -19.857 -14.111 -21.359 1.00 29.83 H new ATOM 0 HB2 ASN C 79 -21.170 -13.122 -22.937 1.00 31.71 H new ATOM 0 HB3 ASN C 79 -20.369 -12.023 -22.173 1.00 31.71 H new ATOM 0 HD21 ASN C 79 -21.205 -11.097 -24.364 1.00 39.34 H new ATOM 0 HD22 ASN C 79 -20.196 -11.046 -25.459 1.00 39.34 H new ATOM 2601 N GLY C 80 -18.199 -15.780 -22.823 1.00 25.56 N ANISOU 2601 N GLY C 80 2749 3870 3092 -454 557 -607 N ATOM 2602 CA GLY C 80 -17.978 -17.081 -23.459 1.00 23.25 C ANISOU 2602 CA GLY C 80 2678 3266 2887 -715 603 -556 C ATOM 2603 C GLY C 80 -17.577 -17.000 -24.907 1.00 23.27 C ANISOU 2603 C GLY C 80 2695 3174 2972 -547 533 -606 C ATOM 2604 O GLY C 80 -17.759 -17.952 -25.644 1.00 25.38 O ANISOU 2604 O GLY C 80 3405 3260 2975 -694 452 -724 O ATOM 0 H GLY C 80 -17.561 -15.534 -22.302 1.00 25.56 H new ATOM 0 HA2 GLY C 80 -17.289 -17.556 -22.969 1.00 23.25 H new ATOM 0 HA3 GLY C 80 -18.790 -17.607 -23.388 1.00 23.25 H new ATOM 2605 N CYS C 81 -16.986 -15.887 -25.318 1.00 22.47 N ANISOU 2605 N CYS C 81 2441 3064 3030 -325 665 -464 N ATOM 2606 CA CYS C 81 -16.528 -15.758 -26.697 1.00 20.07 C ANISOU 2606 CA CYS C 81 1854 3062 2709 -284 432 -308 C ATOM 2607 C CYS C 81 -15.052 -15.422 -26.749 1.00 18.81 C ANISOU 2607 C CYS C 81 1673 2887 2584 -381 148 -361 C ATOM 2608 O CYS C 81 -14.458 -14.910 -25.789 1.00 20.73 O ANISOU 2608 O CYS C 81 2102 3189 2584 -388 447 -564 O ATOM 2609 CB CYS C 81 -17.340 -14.782 -27.523 1.00 23.03 C ANISOU 2609 CB CYS C 81 1957 3562 3230 -237 327 -162 C ATOM 2610 SG CYS C 81 -19.101 -14.911 -27.480 1.00 31.68 S ANISOU 2610 SG CYS C 81 2484 4280 5271 -269 196 -497 S ATOM 0 H CYS C 81 -16.841 -15.200 -24.822 1.00 22.47 H new ATOM 0 HA CYS C 81 -16.667 -16.627 -27.105 1.00 20.07 H new ATOM 0 HB2 CYS C 81 -17.102 -13.885 -27.240 1.00 23.03 H new ATOM 0 HB3 CYS C 81 -17.059 -14.871 -28.447 1.00 23.03 H new ATOM 0 HG CYS C 81 -19.582 -14.067 -28.184 1.00 31.68 H new ATOM 2611 N GLY C 82 -14.498 -15.709 -27.887 1.00 16.68 N ANISOU 2611 N GLY C 82 1321 2679 2335 -352 124 -197 N ATOM 2612 CA GLY C 82 -13.128 -15.314 -28.076 1.00 16.58 C ANISOU 2612 CA GLY C 82 1287 2796 2216 -429 45 -247 C ATOM 2613 C GLY C 82 -12.809 -15.208 -29.526 1.00 14.18 C ANISOU 2613 C GLY C 82 1015 2432 1940 -275 164 -114 C ATOM 2614 O GLY C 82 -13.523 -15.672 -30.410 1.00 15.09 O ANISOU 2614 O GLY C 82 1142 2502 2090 -246 -138 -273 O ATOM 0 H GLY C 82 -14.873 -16.116 -28.545 1.00 16.68 H new ATOM 0 HA2 GLY C 82 -12.969 -14.461 -27.642 1.00 16.58 H new ATOM 0 HA3 GLY C 82 -12.539 -15.960 -27.656 1.00 16.58 H new ATOM 2615 N ALA C 83 -11.637 -14.654 -29.777 1.00 13.72 N ANISOU 2615 N ALA C 83 760 2275 2175 -244 29 -148 N ATOM 2616 CA ALA C 83 -11.144 -14.466 -31.159 1.00 13.21 C ANISOU 2616 CA ALA C 83 770 2111 2138 -31 26 -105 C ATOM 2617 C ALA C 83 -9.619 -14.722 -31.141 1.00 13.96 C ANISOU 2617 C ALA C 83 1203 2022 2075 -182 -150 2 C ATOM 2618 O ALA C 83 -8.933 -14.416 -30.142 1.00 13.92 O ANISOU 2618 O ALA C 83 715 2411 2161 -215 -141 -348 O ATOM 2619 CB ALA C 83 -11.394 -13.034 -31.660 1.00 14.97 C ANISOU 2619 CB ALA C 83 1043 2193 2448 -133 -111 -178 C ATOM 0 H ALA C 83 -11.099 -14.374 -29.167 1.00 13.72 H new ATOM 0 HA ALA C 83 -11.612 -15.076 -31.751 1.00 13.21 H new ATOM 0 HB1 ALA C 83 -11.060 -12.945 -32.566 1.00 14.97 H new ATOM 0 HB2 ALA C 83 -12.346 -12.848 -31.647 1.00 14.97 H new ATOM 0 HB3 ALA C 83 -10.934 -12.404 -31.083 1.00 14.97 H new ATOM 2620 N MET C 84 -9.139 -15.287 -32.237 1.00 13.29 N ANISOU 2620 N MET C 84 1157 1936 1956 -39 8 -179 N ATOM 2621 CA MET C 84 -7.664 -15.555 -32.260 1.00 13.09 C ANISOU 2621 CA MET C 84 1032 1963 1978 0 19 -10 C ATOM 2622 C MET C 84 -7.159 -15.442 -33.638 1.00 11.50 C ANISOU 2622 C MET C 84 631 1952 1784 -57 -311 -56 C ATOM 2623 O MET C 84 -7.877 -15.792 -34.595 1.00 13.62 O ANISOU 2623 O MET C 84 1046 2173 1956 -86 -240 -91 O ATOM 2624 CB MET C 84 -7.355 -16.934 -31.696 1.00 13.27 C ANISOU 2624 CB MET C 84 667 2170 2203 1 -282 -45 C ATOM 2625 CG MET C 84 -7.915 -18.050 -32.567 1.00 16.73 C ANISOU 2625 CG MET C 84 1944 2010 2401 -63 -62 -170 C ATOM 2626 SD MET C 84 -7.653 -19.636 -31.698 1.00 17.57 S ANISOU 2626 SD MET C 84 1724 2179 2771 4 72 38 S ATOM 2627 CE MET C 84 -8.799 -20.615 -32.606 1.00 17.50 C ANISOU 2627 CE MET C 84 1407 2254 2986 -446 51 -17 C ATOM 0 H MET C 84 -9.587 -15.515 -32.935 1.00 13.29 H new ATOM 0 HA MET C 84 -7.221 -14.896 -31.703 1.00 13.09 H new ATOM 0 HB2 MET C 84 -6.394 -17.041 -31.615 1.00 13.27 H new ATOM 0 HB3 MET C 84 -7.725 -17.007 -30.802 1.00 13.27 H new ATOM 0 HG2 MET C 84 -8.860 -17.907 -32.734 1.00 16.73 H new ATOM 0 HG3 MET C 84 -7.473 -18.060 -33.430 1.00 16.73 H new ATOM 0 HE1 MET C 84 -9.488 -20.944 -32.008 1.00 17.50 H new ATOM 0 HE2 MET C 84 -9.206 -20.075 -33.302 1.00 17.50 H new ATOM 0 HE3 MET C 84 -8.335 -21.366 -33.009 1.00 17.50 H new ATOM 2628 N PRO C 85 -5.896 -15.032 -33.806 1.00 12.17 N ANISOU 2628 N PRO C 85 447 2086 2088 25 -116 -172 N ATOM 2629 CA PRO C 85 -5.261 -15.005 -35.124 1.00 13.13 C ANISOU 2629 CA PRO C 85 1047 1885 2053 -4 31 -210 C ATOM 2630 C PRO C 85 -4.276 -16.207 -35.260 1.00 12.67 C ANISOU 2630 C PRO C 85 701 1973 2137 0 -157 20 C ATOM 2631 O PRO C 85 -3.611 -16.573 -34.304 1.00 14.29 O ANISOU 2631 O PRO C 85 1114 2115 2199 164 -130 -80 O ATOM 2632 CB PRO C 85 -4.421 -13.702 -35.041 1.00 14.29 C ANISOU 2632 CB PRO C 85 1155 2024 2249 -172 86 -100 C ATOM 2633 CG PRO C 85 -3.935 -13.690 -33.597 1.00 15.25 C ANISOU 2633 CG PRO C 85 1333 2152 2308 -267 -83 -4 C ATOM 2634 CD PRO C 85 -4.989 -14.434 -32.764 1.00 13.65 C ANISOU 2634 CD PRO C 85 832 2214 2140 -126 -344 -34 C ATOM 0 HA PRO C 85 -5.889 -15.048 -35.862 1.00 13.13 H new ATOM 0 HB2 PRO C 85 -3.681 -13.713 -35.668 1.00 14.29 H new ATOM 0 HB3 PRO C 85 -4.955 -12.918 -35.246 1.00 14.29 H new ATOM 0 HG2 PRO C 85 -3.070 -14.123 -33.522 1.00 15.25 H new ATOM 0 HG3 PRO C 85 -3.826 -12.780 -33.279 1.00 15.25 H new ATOM 0 HD2 PRO C 85 -4.587 -15.117 -32.205 1.00 13.65 H new ATOM 0 HD3 PRO C 85 -5.469 -13.832 -32.174 1.00 13.65 H new ATOM 2635 N PHE C 86 -4.296 -16.827 -36.425 1.00 13.77 N ANISOU 2635 N PHE C 86 1103 1959 2168 47 58 -169 N ATOM 2636 CA PHE C 86 -3.423 -17.983 -36.602 1.00 14.41 C ANISOU 2636 CA PHE C 86 1329 1970 2174 141 167 -149 C ATOM 2637 C PHE C 86 -3.074 -18.129 -38.066 1.00 14.85 C ANISOU 2637 C PHE C 86 1099 2186 2358 -72 14 -135 C ATOM 2638 O PHE C 86 -3.702 -17.416 -38.946 1.00 15.10 O ANISOU 2638 O PHE C 86 1166 2390 2180 47 -27 -24 O ATOM 2639 CB PHE C 86 -4.047 -19.278 -36.014 1.00 15.31 C ANISOU 2639 CB PHE C 86 1017 2196 2604 -214 -192 104 C ATOM 2640 CG PHE C 86 -5.350 -19.684 -36.647 1.00 15.05 C ANISOU 2640 CG PHE C 86 1508 2116 2091 61 -51 79 C ATOM 2641 CD1 PHE C 86 -6.561 -19.031 -36.334 1.00 16.16 C ANISOU 2641 CD1 PHE C 86 1379 2358 2400 -112 -38 0 C ATOM 2642 CD2 PHE C 86 -5.399 -20.725 -37.569 1.00 17.59 C ANISOU 2642 CD2 PHE C 86 1630 2517 2537 -331 104 -292 C ATOM 2643 CE1 PHE C 86 -7.742 -19.461 -36.886 1.00 17.52 C ANISOU 2643 CE1 PHE C 86 1758 2487 2409 -342 -20 -67 C ATOM 2644 CE2 PHE C 86 -6.588 -21.201 -38.135 1.00 17.42 C ANISOU 2644 CE2 PHE C 86 1410 2505 2704 -363 234 -273 C ATOM 2645 CZ PHE C 86 -7.761 -20.559 -37.759 1.00 17.60 C ANISOU 2645 CZ PHE C 86 1510 2485 2691 -186 -206 -233 C ATOM 0 H PHE C 86 -4.782 -16.612 -37.101 1.00 13.77 H new ATOM 0 HA PHE C 86 -2.604 -17.836 -36.103 1.00 14.41 H new ATOM 0 HB2 PHE C 86 -3.412 -20.004 -36.114 1.00 15.31 H new ATOM 0 HB3 PHE C 86 -4.188 -19.153 -35.062 1.00 15.31 H new ATOM 0 HD1 PHE C 86 -6.559 -18.306 -35.751 1.00 16.16 H new ATOM 0 HD2 PHE C 86 -4.599 -21.126 -37.823 1.00 17.59 H new ATOM 0 HE1 PHE C 86 -8.535 -19.021 -36.680 1.00 17.52 H new ATOM 0 HE2 PHE C 86 -6.592 -21.913 -38.734 1.00 17.42 H new ATOM 0 HZ PHE C 86 -8.574 -20.863 -38.092 1.00 17.60 H new ATOM 2646 N ARG C 87 -2.114 -19.001 -38.354 1.00 16.72 N ANISOU 2646 N ARG C 87 1709 2321 2319 335 253 -93 N ATOM 2647 CA ARG C 87 -1.734 -19.231 -39.700 1.00 16.59 C ANISOU 2647 CA ARG C 87 1327 2470 2505 100 114 -21 C ATOM 2648 C ARG C 87 -1.843 -20.759 -39.928 1.00 17.01 C ANISOU 2648 C ARG C 87 1665 2367 2431 127 222 -184 C ATOM 2649 O ARG C 87 -1.390 -21.540 -39.075 1.00 20.15 O ANISOU 2649 O ARG C 87 2498 2407 2751 268 24 -62 O ATOM 2650 CB ARG C 87 -0.304 -18.767 -39.898 1.00 19.68 C ANISOU 2650 CB ARG C 87 1455 3132 2889 -1 415 -38 C ATOM 2651 CG ARG C 87 0.232 -19.129 -41.295 1.00 24.10 C ANISOU 2651 CG ARG C 87 1871 3966 3317 -385 448 -154 C ATOM 2652 CD ARG C 87 1.637 -18.435 -41.454 1.00 27.79 C ANISOU 2652 CD ARG C 87 2340 4117 4102 -462 595 74 C ATOM 2653 NE ARG C 87 1.457 -17.069 -41.922 1.00 36.61 N ANISOU 2653 NE ARG C 87 4355 4681 4871 -227 444 -68 N ATOM 2654 CZ ARG C 87 1.968 -16.584 -43.061 1.00 38.09 C ANISOU 2654 CZ ARG C 87 4644 5017 4808 -104 440 46 C ATOM 2655 NH1 ARG C 87 2.722 -17.350 -43.862 1.00 41.64 N ANISOU 2655 NH1 ARG C 87 5094 4985 5742 265 303 -206 N ATOM 2656 NH2 ARG C 87 1.749 -15.319 -43.389 1.00 38.60 N ANISOU 2656 NH2 ARG C 87 4615 5056 4994 -88 577 -23 N ATOM 0 H ARG C 87 -1.681 -19.461 -37.770 1.00 16.72 H new ATOM 0 HA ARG C 87 -2.297 -18.748 -40.325 1.00 16.59 H new ATOM 0 HB2 ARG C 87 -0.256 -17.806 -39.773 1.00 19.68 H new ATOM 0 HB3 ARG C 87 0.262 -19.169 -39.221 1.00 19.68 H new ATOM 0 HG2 ARG C 87 0.313 -20.091 -41.391 1.00 24.10 H new ATOM 0 HG3 ARG C 87 -0.379 -18.826 -41.985 1.00 24.10 H new ATOM 0 HD2 ARG C 87 2.107 -18.437 -40.605 1.00 27.79 H new ATOM 0 HD3 ARG C 87 2.184 -18.932 -42.082 1.00 27.79 H new ATOM 0 HE ARG C 87 0.990 -16.537 -41.434 1.00 36.61 H new ATOM 0 HH11 ARG C 87 2.884 -18.167 -43.648 1.00 41.64 H new ATOM 0 HH12 ARG C 87 3.043 -17.025 -44.590 1.00 41.64 H new ATOM 0 HH21 ARG C 87 1.282 -14.815 -42.872 1.00 38.60 H new ATOM 0 HH22 ARG C 87 2.074 -15.002 -44.119 1.00 38.60 H new ATOM 2657 N VAL C 88 -2.413 -21.174 -41.059 1.00 18.46 N ANISOU 2657 N VAL C 88 1848 2440 2725 233 339 -375 N ATOM 2658 CA VAL C 88 -2.483 -22.572 -41.449 1.00 19.86 C ANISOU 2658 CA VAL C 88 1827 2668 3047 -1 341 -344 C ATOM 2659 C VAL C 88 -1.555 -22.745 -42.640 1.00 21.72 C ANISOU 2659 C VAL C 88 2543 2683 3023 293 388 -351 C ATOM 2660 O VAL C 88 -1.586 -21.942 -43.574 1.00 23.65 O ANISOU 2660 O VAL C 88 2868 3088 3028 525 678 -258 O ATOM 2661 CB VAL C 88 -3.915 -22.975 -41.848 1.00 21.14 C ANISOU 2661 CB VAL C 88 1961 2908 3162 -95 252 -598 C ATOM 2662 CG1 VAL C 88 -3.925 -24.439 -42.214 1.00 23.23 C ANISOU 2662 CG1 VAL C 88 1748 3170 3909 -314 130 -442 C ATOM 2663 CG2 VAL C 88 -4.778 -22.753 -40.666 1.00 24.00 C ANISOU 2663 CG2 VAL C 88 2390 3508 3221 7 375 -296 C ATOM 0 H VAL C 88 -2.774 -20.639 -41.627 1.00 18.46 H new ATOM 0 HA VAL C 88 -2.222 -23.136 -40.704 1.00 19.86 H new ATOM 0 HB VAL C 88 -4.231 -22.457 -42.605 1.00 21.14 H new ATOM 0 HG11 VAL C 88 -4.823 -24.703 -42.467 1.00 23.23 H new ATOM 0 HG12 VAL C 88 -3.322 -24.591 -42.958 1.00 23.23 H new ATOM 0 HG13 VAL C 88 -3.636 -24.965 -41.452 1.00 23.23 H new ATOM 0 HG21 VAL C 88 -5.692 -22.997 -40.882 1.00 24.00 H new ATOM 0 HG22 VAL C 88 -4.463 -23.299 -39.928 1.00 24.00 H new ATOM 0 HG23 VAL C 88 -4.745 -21.817 -40.412 1.00 24.00 H new ATOM 2664 N GLU C 89 -0.692 -23.766 -42.566 1.00 22.37 N ANISOU 2664 N GLU C 89 2345 2948 3203 513 688 -257 N ATOM 2665 CA GLU C 89 0.254 -24.010 -43.670 1.00 25.27 C ANISOU 2665 CA GLU C 89 2678 3255 3669 330 538 -298 C ATOM 2666 C GLU C 89 -0.158 -25.349 -44.274 1.00 26.47 C ANISOU 2666 C GLU C 89 3207 3209 3639 399 619 -258 C ATOM 2667 O GLU C 89 -0.364 -26.305 -43.578 1.00 26.23 O ANISOU 2667 O GLU C 89 3497 2797 3671 405 664 -368 O ATOM 2668 CB GLU C 89 1.742 -23.955 -43.210 1.00 25.03 C ANISOU 2668 CB GLU C 89 2369 3399 3741 261 605 -89 C ATOM 2669 CG GLU C 89 2.215 -22.524 -42.959 1.00 29.67 C ANISOU 2669 CG GLU C 89 3077 3841 4353 425 257 -267 C ATOM 2670 CD GLU C 89 3.699 -22.408 -42.742 1.00 35.63 C ANISOU 2670 CD GLU C 89 3740 4957 4840 -41 87 -57 C ATOM 2671 OE1 GLU C 89 4.173 -22.944 -41.719 1.00 43.43 O ANISOU 2671 OE1 GLU C 89 5051 5853 5594 -83 -142 137 O ATOM 2672 OE2 GLU C 89 4.367 -21.759 -43.597 1.00 45.34 O ANISOU 2672 OE2 GLU C 89 5468 5932 5827 -99 147 -3 O ATOM 0 H GLU C 89 -0.636 -24.315 -41.907 1.00 22.37 H new ATOM 0 HA GLU C 89 0.210 -23.310 -44.340 1.00 25.27 H new ATOM 0 HB2 GLU C 89 1.848 -24.476 -42.399 1.00 25.03 H new ATOM 0 HB3 GLU C 89 2.303 -24.366 -43.886 1.00 25.03 H new ATOM 0 HG2 GLU C 89 1.962 -21.971 -43.715 1.00 29.67 H new ATOM 0 HG3 GLU C 89 1.754 -22.171 -42.182 1.00 29.67 H new ATOM 2673 N MET C 90 -0.296 -25.381 -45.584 1.00 29.80 N ANISOU 2673 N MET C 90 3812 3509 4001 349 344 -383 N ATOM 2674 CA MET C 90 -0.707 -26.597 -46.249 1.00 33.24 C ANISOU 2674 CA MET C 90 4381 4002 4244 104 301 -355 C ATOM 2675 C MET C 90 0.029 -26.682 -47.572 1.00 34.25 C ANISOU 2675 C MET C 90 4599 4077 4335 144 369 -373 C ATOM 2676 O MET C 90 0.875 -25.837 -47.870 1.00 33.91 O ANISOU 2676 O MET C 90 4535 4136 4212 300 589 -634 O ATOM 2677 CB MET C 90 -2.214 -26.583 -46.451 1.00 34.18 C ANISOU 2677 CB MET C 90 4504 4138 4345 -28 169 -412 C ATOM 2678 CG MET C 90 -2.724 -25.408 -47.304 1.00 39.68 C ANISOU 2678 CG MET C 90 5136 5046 4893 84 72 -100 C ATOM 2679 SD MET C 90 -2.865 -23.810 -46.444 1.00 49.58 S ANISOU 2679 SD MET C 90 6151 6199 6485 -49 68 -372 S ATOM 2680 CE MET C 90 -4.628 -23.830 -46.113 1.00 47.98 C ANISOU 2680 CE MET C 90 5865 6239 6124 -15 -80 -18 C ATOM 0 H MET C 90 -0.157 -24.711 -46.105 1.00 29.80 H new ATOM 0 HA MET C 90 -0.490 -27.376 -45.714 1.00 33.24 H new ATOM 0 HB2 MET C 90 -2.482 -27.415 -46.871 1.00 34.18 H new ATOM 0 HB3 MET C 90 -2.646 -26.552 -45.583 1.00 34.18 H new ATOM 0 HG2 MET C 90 -2.128 -25.297 -48.061 1.00 39.68 H new ATOM 0 HG3 MET C 90 -3.595 -25.643 -47.660 1.00 39.68 H new ATOM 0 HE1 MET C 90 -4.878 -23.020 -45.642 1.00 47.98 H new ATOM 0 HE2 MET C 90 -5.114 -23.880 -46.951 1.00 47.98 H new ATOM 0 HE3 MET C 90 -4.846 -24.601 -45.567 1.00 47.98 H new ATOM 2681 N VAL C 91 -0.306 -27.703 -48.345 1.00 36.63 N ANISOU 2681 N VAL C 91 4908 4554 4455 95 262 -298 N ATOM 2682 CA VAL C 91 0.258 -27.931 -49.657 1.00 38.76 C ANISOU 2682 CA VAL C 91 5116 4851 4759 135 218 -225 C ATOM 2683 C VAL C 91 -0.940 -27.985 -50.552 1.00 39.64 C ANISOU 2683 C VAL C 91 5253 4955 4851 53 170 -221 C ATOM 2684 O VAL C 91 -1.942 -28.657 -50.249 1.00 40.19 O ANISOU 2684 O VAL C 91 5338 5000 4932 -61 142 -146 O ATOM 2685 CB VAL C 91 1.035 -29.284 -49.712 1.00 38.84 C ANISOU 2685 CB VAL C 91 5196 4773 4786 166 138 -226 C ATOM 2686 CG1 VAL C 91 1.324 -29.709 -51.138 1.00 39.80 C ANISOU 2686 CG1 VAL C 91 5228 4999 4892 51 181 -184 C ATOM 2687 CG2 VAL C 91 2.347 -29.175 -48.957 1.00 40.23 C ANISOU 2687 CG2 VAL C 91 5128 5199 4959 62 150 -251 C ATOM 0 H VAL C 91 -0.883 -28.296 -48.112 1.00 36.63 H new ATOM 0 HA VAL C 91 0.896 -27.245 -49.909 1.00 38.76 H new ATOM 0 HB VAL C 91 0.468 -29.953 -49.297 1.00 38.84 H new ATOM 0 HG11 VAL C 91 1.806 -30.551 -51.134 1.00 39.80 H new ATOM 0 HG12 VAL C 91 0.489 -29.818 -51.619 1.00 39.80 H new ATOM 0 HG13 VAL C 91 1.862 -29.031 -51.575 1.00 39.80 H new ATOM 0 HG21 VAL C 91 2.817 -30.022 -49.001 1.00 40.23 H new ATOM 0 HG22 VAL C 91 2.894 -28.481 -49.357 1.00 40.23 H new ATOM 0 HG23 VAL C 91 2.169 -28.952 -48.030 1.00 40.23 H new ATOM 2688 N TRP C 92 -0.881 -27.209 -51.619 1.00 41.04 N ANISOU 2688 N TRP C 92 5486 5128 4979 37 209 -206 N ATOM 2689 CA TRP C 92 -1.939 -27.224 -52.590 1.00 43.52 C ANISOU 2689 CA TRP C 92 5708 5518 5309 53 146 -109 C ATOM 2690 C TRP C 92 -1.268 -27.497 -53.926 1.00 44.52 C ANISOU 2690 C TRP C 92 5876 5632 5405 20 177 -130 C ATOM 2691 O TRP C 92 -0.537 -26.653 -54.445 1.00 44.51 O ANISOU 2691 O TRP C 92 5944 5580 5388 0 239 -144 O ATOM 2692 CB TRP C 92 -2.664 -25.884 -52.604 1.00 44.67 C ANISOU 2692 CB TRP C 92 5854 5634 5484 64 127 -113 C ATOM 2693 CG TRP C 92 -3.807 -25.824 -53.571 1.00 45.69 C ANISOU 2693 CG TRP C 92 5882 5851 5625 -22 37 -26 C ATOM 2694 CD1 TRP C 92 -4.524 -26.872 -54.062 1.00 46.08 C ANISOU 2694 CD1 TRP C 92 5844 5867 5795 -65 42 -16 C ATOM 2695 CD2 TRP C 92 -4.361 -24.644 -54.163 1.00 47.93 C ANISOU 2695 CD2 TRP C 92 6128 5913 6167 73 -112 -24 C ATOM 2696 NE1 TRP C 92 -5.492 -26.421 -54.932 1.00 46.29 N ANISOU 2696 NE1 TRP C 92 5980 5867 5740 -9 38 31 N ATOM 2697 CE2 TRP C 92 -5.420 -25.056 -55.004 1.00 47.33 C ANISOU 2697 CE2 TRP C 92 6074 5862 6045 -10 -105 24 C ATOM 2698 CE3 TRP C 92 -4.067 -23.275 -54.064 1.00 48.86 C ANISOU 2698 CE3 TRP C 92 6269 6032 6262 8 -205 48 C ATOM 2699 CZ2 TRP C 92 -6.188 -24.150 -55.745 1.00 48.23 C ANISOU 2699 CZ2 TRP C 92 6069 5959 6295 -26 -139 2 C ATOM 2700 CZ3 TRP C 92 -4.841 -22.368 -54.799 1.00 47.78 C ANISOU 2700 CZ3 TRP C 92 6014 5889 6248 34 -135 -8 C ATOM 2701 CH2 TRP C 92 -5.885 -22.813 -55.628 1.00 48.90 C ANISOU 2701 CH2 TRP C 92 6185 6082 6310 40 -141 -20 C ATOM 0 H TRP C 92 -0.235 -26.669 -51.794 1.00 41.04 H new ATOM 0 HA TRP C 92 -2.606 -27.899 -52.388 1.00 43.52 H new ATOM 0 HB2 TRP C 92 -2.996 -25.696 -51.712 1.00 44.67 H new ATOM 0 HB3 TRP C 92 -2.029 -25.185 -52.823 1.00 44.67 H new ATOM 0 HD1 TRP C 92 -4.381 -27.764 -53.842 1.00 46.08 H new ATOM 0 HE1 TRP C 92 -6.050 -26.916 -55.360 1.00 46.29 H new ATOM 0 HE3 TRP C 92 -3.373 -22.976 -53.522 1.00 48.86 H new ATOM 0 HZ2 TRP C 92 -6.878 -24.441 -56.296 1.00 48.23 H new ATOM 0 HZ3 TRP C 92 -4.661 -21.458 -54.738 1.00 47.78 H new ATOM 0 HH2 TRP C 92 -6.382 -22.190 -56.108 1.00 48.90 H new ATOM 2702 N ASN C 93 -1.485 -28.705 -54.433 1.00 45.58 N ANISOU 2702 N ASN C 93 5974 5752 5589 20 185 -127 N ATOM 2703 CA ASN C 93 -0.940 -29.133 -55.720 1.00 46.60 C ANISOU 2703 CA ASN C 93 6104 5916 5683 78 160 -108 C ATOM 2704 C ASN C 93 0.596 -29.047 -55.725 1.00 47.02 C ANISOU 2704 C ASN C 93 6105 5961 5799 60 118 -101 C ATOM 2705 O ASN C 93 1.223 -28.428 -56.609 1.00 48.06 O ANISOU 2705 O ASN C 93 6147 6144 5969 35 127 -32 O ATOM 2706 CB ASN C 93 -1.588 -28.337 -56.859 1.00 47.08 C ANISOU 2706 CB ASN C 93 6140 5979 5769 90 69 -152 C ATOM 2707 CG ASN C 93 -3.055 -28.673 -57.042 1.00 48.14 C ANISOU 2707 CG ASN C 93 6290 6129 5870 77 135 -136 C ATOM 2708 OD1 ASN C 93 -3.469 -29.842 -56.563 1.00 50.65 O flip ANISOU 2708 OD1 ASN C 93 6628 6408 6206 121 -45 -90 O ATOM 2709 ND2 ASN C 93 -3.808 -27.890 -57.611 1.00 48.85 N flip ANISOU 2709 ND2 ASN C 93 6489 6285 5785 9 85 -63 N ATOM 0 H ASN C 93 -1.957 -29.306 -54.038 1.00 45.58 H new ATOM 0 HA ASN C 93 -1.158 -30.067 -55.865 1.00 46.60 H new ATOM 0 HB2 ASN C 93 -1.497 -27.388 -56.679 1.00 47.08 H new ATOM 0 HB3 ASN C 93 -1.113 -28.516 -57.686 1.00 47.08 H new ATOM 0 HD21 ASN C 93 -3.506 -27.142 -57.908 1.00 48.85 H new ATOM 0 HD22 ASN C 93 -4.638 -28.089 -57.713 1.00 48.85 H new ATOM 2710 N GLY C 94 1.185 -29.662 -54.702 1.00 47.03 N ANISOU 2710 N GLY C 94 6065 5938 5864 146 118 -141 N ATOM 2711 CA GLY C 94 2.627 -29.675 -54.492 1.00 46.75 C ANISOU 2711 CA GLY C 94 5960 5917 5883 95 114 -156 C ATOM 2712 C GLY C 94 3.242 -28.356 -54.079 1.00 46.86 C ANISOU 2712 C GLY C 94 5967 5937 5900 108 120 -130 C ATOM 2713 O GLY C 94 4.458 -28.264 -53.881 1.00 47.08 O ANISOU 2713 O GLY C 94 5961 6055 5870 158 151 -186 O ATOM 0 H GLY C 94 0.747 -30.092 -54.099 1.00 47.03 H new ATOM 0 HA2 GLY C 94 2.832 -30.336 -53.812 1.00 46.75 H new ATOM 0 HA3 GLY C 94 3.054 -29.969 -55.312 1.00 46.75 H new ATOM 2714 N GLN C 95 2.396 -27.334 -53.938 1.00 46.17 N ANISOU 2714 N GLN C 95 5873 5869 5799 107 182 -134 N ATOM 2715 CA GLN C 95 2.836 -25.981 -53.641 1.00 45.16 C ANISOU 2715 CA GLN C 95 5771 5806 5581 20 197 -130 C ATOM 2716 C GLN C 95 2.469 -25.600 -52.205 1.00 43.90 C ANISOU 2716 C GLN C 95 5554 5649 5476 65 194 -168 C ATOM 2717 O GLN C 95 1.275 -25.485 -51.872 1.00 44.62 O ANISOU 2717 O GLN C 95 5727 5672 5554 154 311 -256 O ATOM 2718 CB GLN C 95 2.210 -24.978 -54.619 1.00 45.62 C ANISOU 2718 CB GLN C 95 5779 5870 5683 32 121 -107 C ATOM 2719 CG GLN C 95 2.967 -24.856 -55.961 1.00 47.82 C ANISOU 2719 CG GLN C 95 6085 6229 5853 -23 142 -80 C ATOM 2720 CD GLN C 95 2.911 -23.457 -56.548 1.00 50.35 C ANISOU 2720 CD GLN C 95 6393 6481 6254 24 62 14 C ATOM 2721 OE1 GLN C 95 1.898 -23.042 -57.097 1.00 52.53 O ANISOU 2721 OE1 GLN C 95 6324 6897 6734 -40 -61 -50 O ATOM 2722 NE2 GLN C 95 4.020 -22.725 -56.446 1.00 51.46 N ANISOU 2722 NE2 GLN C 95 6390 6832 6327 -57 66 -107 N ATOM 0 H GLN C 95 1.543 -27.413 -54.014 1.00 46.17 H new ATOM 0 HA GLN C 95 3.801 -25.952 -53.739 1.00 45.16 H new ATOM 0 HB2 GLN C 95 1.294 -25.242 -54.797 1.00 45.62 H new ATOM 0 HB3 GLN C 95 2.176 -24.106 -54.196 1.00 45.62 H new ATOM 0 HG2 GLN C 95 3.894 -25.109 -55.828 1.00 47.82 H new ATOM 0 HG3 GLN C 95 2.590 -25.484 -56.597 1.00 47.82 H new ATOM 0 HE21 GLN C 95 4.714 -23.048 -56.054 1.00 51.46 H new ATOM 0 HE22 GLN C 95 4.042 -21.930 -56.772 1.00 51.46 H new ATOM 2723 N PRO C 96 3.490 -25.407 -51.358 1.00 42.24 N ANISOU 2723 N PRO C 96 5392 5457 5198 109 277 -186 N ATOM 2724 CA PRO C 96 3.275 -25.024 -49.962 1.00 40.36 C ANISOU 2724 CA PRO C 96 5164 5172 4998 145 279 -123 C ATOM 2725 C PRO C 96 2.612 -23.651 -49.987 1.00 37.99 C ANISOU 2725 C PRO C 96 4883 4938 4613 203 462 -110 C ATOM 2726 O PRO C 96 3.027 -22.748 -50.728 1.00 38.58 O ANISOU 2726 O PRO C 96 5004 4966 4688 249 600 -119 O ATOM 2727 CB PRO C 96 4.693 -24.928 -49.392 1.00 40.88 C ANISOU 2727 CB PRO C 96 5181 5254 5097 72 245 -133 C ATOM 2728 CG PRO C 96 5.567 -24.692 -50.623 1.00 42.38 C ANISOU 2728 CG PRO C 96 5401 5454 5244 -26 244 -155 C ATOM 2729 CD PRO C 96 4.917 -25.474 -51.711 1.00 42.99 C ANISOU 2729 CD PRO C 96 5368 5607 5359 83 200 -172 C ATOM 0 HA PRO C 96 2.723 -25.631 -49.445 1.00 40.36 H new ATOM 0 HB2 PRO C 96 4.772 -24.201 -48.755 1.00 40.88 H new ATOM 0 HB3 PRO C 96 4.945 -25.741 -48.927 1.00 40.88 H new ATOM 0 HG2 PRO C 96 5.612 -23.749 -50.847 1.00 42.38 H new ATOM 0 HG3 PRO C 96 6.477 -24.991 -50.471 1.00 42.38 H new ATOM 0 HD2 PRO C 96 5.090 -25.088 -52.584 1.00 42.99 H new ATOM 0 HD3 PRO C 96 5.238 -26.389 -51.737 1.00 42.99 H new ATOM 2730 N CYS C 97 1.557 -23.500 -49.198 1.00 34.99 N ANISOU 2730 N CYS C 97 4649 4555 4089 286 564 -104 N ATOM 2731 CA ACYS C 97 0.946 -22.190 -49.111 0.50 33.48 C ANISOU 2731 CA ACYS C 97 4453 4415 3850 285 538 -158 C ATOM 2732 CA BCYS C 97 0.756 -22.289 -49.141 0.50 33.28 C ANISOU 2732 CA BCYS C 97 4365 4462 3818 304 524 -167 C ATOM 2733 C CYS C 97 0.569 -21.994 -47.679 1.00 31.19 C ANISOU 2733 C CYS C 97 4112 4142 3595 346 550 -106 C ATOM 2734 O CYS C 97 0.661 -22.893 -46.882 1.00 31.56 O ANISOU 2734 O CYS C 97 4151 4158 3681 600 676 -265 O ATOM 2735 CB ACYS C 97 -0.269 -22.086 -50.015 0.50 34.58 C ANISOU 2735 CB ACYS C 97 4658 4479 4000 229 446 -107 C ATOM 2736 CB BCYS C 97 -0.624 -22.566 -49.729 0.50 34.03 C ANISOU 2736 CB BCYS C 97 4434 4512 3981 182 473 -173 C ATOM 2737 SG ACYS C 97 -1.385 -23.408 -49.741 0.50 39.59 S ANISOU 2737 SG ACYS C 97 5466 4830 4744 -28 616 -300 S ATOM 2738 SG BCYS C 97 -0.672 -22.811 -51.495 0.50 38.31 S ANISOU 2738 SG BCYS C 97 5068 5229 4257 154 605 -324 S ATOM 0 H ACYS C 97 1.193 -24.118 -48.723 0.50 34.99 H new ATOM 0 H BCYS C 97 1.280 -24.117 -48.667 0.50 34.99 H new ATOM 0 HA ACYS C 97 1.562 -21.502 -49.407 0.50 33.28 H new ATOM 0 HA BCYS C 97 1.179 -21.564 -49.626 0.50 33.28 H new ATOM 0 HB2ACYS C 97 -0.720 -21.242 -49.857 0.50 34.03 H new ATOM 0 HB2BCYS C 97 -0.989 -23.355 -49.299 0.50 34.03 H new ATOM 0 HB3ACYS C 97 0.015 -22.087 -50.943 0.50 34.03 H new ATOM 0 HB3BCYS C 97 -1.208 -21.825 -49.505 0.50 34.03 H new ATOM 0 HG ACYS C 97 -1.826 -23.336 -48.627 0.50 38.31 H new ATOM 0 HG BCYS C 97 0.017 -23.749 -51.788 0.50 38.31 H new ATOM 2739 N ALA C 98 0.237 -20.756 -47.367 1.00 28.14 N ANISOU 2739 N ALA C 98 3668 3853 3169 448 769 -199 N ATOM 2740 CA ALA C 98 -0.140 -20.424 -45.985 1.00 24.51 C ANISOU 2740 CA ALA C 98 3106 3359 2847 536 587 -21 C ATOM 2741 C ALA C 98 -1.358 -19.550 -46.026 1.00 22.94 C ANISOU 2741 C ALA C 98 2711 3230 2774 389 571 39 C ATOM 2742 O ALA C 98 -1.524 -18.738 -46.937 1.00 25.36 O ANISOU 2742 O ALA C 98 3044 3531 3058 687 803 240 O ATOM 2743 CB ALA C 98 0.965 -19.647 -45.328 1.00 26.85 C ANISOU 2743 CB ALA C 98 3319 3686 3193 327 586 -26 C ATOM 0 H ALA C 98 0.220 -20.098 -47.920 1.00 28.14 H new ATOM 0 HA ALA C 98 -0.308 -21.241 -45.490 1.00 24.51 H new ATOM 0 HB1 ALA C 98 0.711 -19.431 -44.417 1.00 26.85 H new ATOM 0 HB2 ALA C 98 1.775 -20.180 -45.320 1.00 26.85 H new ATOM 0 HB3 ALA C 98 1.123 -18.828 -45.822 1.00 26.85 H new ATOM 2744 N LEU C 99 -2.189 -19.679 -45.016 1.00 20.51 N ANISOU 2744 N LEU C 99 2439 2852 2500 431 466 -108 N ATOM 2745 CA LEU C 99 -3.341 -18.817 -44.951 1.00 19.18 C ANISOU 2745 CA LEU C 99 2061 2758 2465 258 209 -217 C ATOM 2746 C LEU C 99 -3.409 -18.203 -43.574 1.00 16.45 C ANISOU 2746 C LEU C 99 1508 2511 2231 338 338 -96 C ATOM 2747 O LEU C 99 -3.319 -18.905 -42.560 1.00 17.05 O ANISOU 2747 O LEU C 99 1475 2521 2479 364 406 -62 O ATOM 2748 CB LEU C 99 -4.545 -19.715 -45.102 1.00 19.87 C ANISOU 2748 CB LEU C 99 2226 2823 2500 225 214 -329 C ATOM 2749 CG LEU C 99 -5.921 -19.014 -45.064 1.00 21.10 C ANISOU 2749 CG LEU C 99 2203 2809 3004 -12 145 -358 C ATOM 2750 CD1 LEU C 99 -6.061 -17.993 -46.225 1.00 26.93 C ANISOU 2750 CD1 LEU C 99 3454 3424 3354 282 -267 -191 C ATOM 2751 CD2 LEU C 99 -7.030 -20.078 -45.122 1.00 22.20 C ANISOU 2751 CD2 LEU C 99 2402 3007 3026 -17 -109 -47 C ATOM 0 H LEU C 99 -2.108 -20.244 -44.373 1.00 20.51 H new ATOM 0 HA LEU C 99 -3.303 -18.123 -45.628 1.00 19.18 H new ATOM 0 HB2 LEU C 99 -4.468 -20.191 -45.943 1.00 19.87 H new ATOM 0 HB3 LEU C 99 -4.521 -20.380 -44.396 1.00 19.87 H new ATOM 0 HG LEU C 99 -6.002 -18.515 -44.236 1.00 21.10 H new ATOM 0 HD11 LEU C 99 -6.932 -17.568 -46.179 1.00 26.93 H new ATOM 0 HD12 LEU C 99 -5.368 -17.319 -46.149 1.00 26.93 H new ATOM 0 HD13 LEU C 99 -5.971 -18.454 -47.074 1.00 26.93 H new ATOM 0 HD21 LEU C 99 -7.897 -19.644 -45.098 1.00 22.20 H new ATOM 0 HD22 LEU C 99 -6.947 -20.588 -45.943 1.00 22.20 H new ATOM 0 HD23 LEU C 99 -6.947 -20.674 -44.361 1.00 22.20 H new ATOM 2752 N ASP C 100 -3.601 -16.878 -43.541 1.00 17.41 N ANISOU 2752 N ASP C 100 1789 2422 2401 95 215 -135 N ATOM 2753 CA ASP C 100 -3.758 -16.178 -42.288 1.00 15.62 C ANISOU 2753 CA ASP C 100 1118 2517 2297 116 243 -218 C ATOM 2754 C ASP C 100 -5.259 -16.022 -41.973 1.00 15.12 C ANISOU 2754 C ASP C 100 1528 2119 2095 205 63 -119 C ATOM 2755 O ASP C 100 -6.004 -15.508 -42.804 1.00 17.73 O ANISOU 2755 O ASP C 100 1949 2613 2171 337 221 86 O ATOM 2756 CB ASP C 100 -3.090 -14.804 -42.378 1.00 18.63 C ANISOU 2756 CB ASP C 100 1743 2596 2739 143 314 -102 C ATOM 2757 CG ASP C 100 -1.587 -14.914 -42.512 1.00 20.99 C ANISOU 2757 CG ASP C 100 2166 3234 2572 147 58 -143 C ATOM 2758 OD1 ASP C 100 -0.991 -15.653 -41.677 1.00 21.89 O ANISOU 2758 OD1 ASP C 100 829 3660 3825 -151 18 -12 O ATOM 2759 OD2 ASP C 100 -1.062 -14.236 -43.431 1.00 25.29 O ANISOU 2759 OD2 ASP C 100 2701 3525 3383 -205 787 190 O ATOM 0 H ASP C 100 -3.642 -16.378 -44.239 1.00 17.41 H new ATOM 0 HA ASP C 100 -3.336 -16.684 -41.576 1.00 15.62 H new ATOM 0 HB2 ASP C 100 -3.447 -14.320 -43.139 1.00 18.63 H new ATOM 0 HB3 ASP C 100 -3.307 -14.287 -41.586 1.00 18.63 H new ATOM 2760 N VAL C 101 -5.660 -16.414 -40.766 1.00 14.46 N ANISOU 2760 N VAL C 101 1291 2217 1985 107 367 -26 N ATOM 2761 CA VAL C 101 -7.089 -16.468 -40.447 1.00 13.49 C ANISOU 2761 CA VAL C 101 1029 2041 2056 90 317 -163 C ATOM 2762 C VAL C 101 -7.297 -15.845 -39.098 1.00 13.90 C ANISOU 2762 C VAL C 101 1508 1976 1795 177 -141 2 C ATOM 2763 O VAL C 101 -6.438 -15.931 -38.233 1.00 13.37 O ANISOU 2763 O VAL C 101 936 2172 1972 100 54 76 O ATOM 2764 CB VAL C 101 -7.513 -17.981 -40.377 1.00 16.40 C ANISOU 2764 CB VAL C 101 1683 2382 2162 -15 367 -101 C ATOM 2765 CG1 VAL C 101 -9.004 -18.115 -40.073 1.00 16.25 C ANISOU 2765 CG1 VAL C 101 1331 2546 2295 -144 320 -273 C ATOM 2766 CG2 VAL C 101 -7.188 -18.688 -41.689 1.00 18.45 C ANISOU 2766 CG2 VAL C 101 1839 2663 2505 273 487 -249 C ATOM 0 H VAL C 101 -5.134 -16.649 -40.127 1.00 14.46 H new ATOM 0 HA VAL C 101 -7.611 -15.998 -41.116 1.00 13.49 H new ATOM 0 HB VAL C 101 -7.011 -18.399 -39.660 1.00 16.40 H new ATOM 0 HG11 VAL C 101 -9.243 -19.054 -40.034 1.00 16.25 H new ATOM 0 HG12 VAL C 101 -9.199 -17.697 -39.220 1.00 16.25 H new ATOM 0 HG13 VAL C 101 -9.517 -17.679 -40.771 1.00 16.25 H new ATOM 0 HG21 VAL C 101 -7.455 -19.619 -41.630 1.00 18.45 H new ATOM 0 HG22 VAL C 101 -7.668 -18.260 -42.415 1.00 18.45 H new ATOM 0 HG23 VAL C 101 -6.234 -18.636 -41.857 1.00 18.45 H new ATOM 2767 N ILE C 102 -8.493 -15.286 -38.868 1.00 13.85 N ANISOU 2767 N ILE C 102 1256 1897 2107 15 155 -64 N ATOM 2768 CA ILE C 102 -9.000 -15.016 -37.512 1.00 12.97 C ANISOU 2768 CA ILE C 102 1058 1927 1943 -176 31 133 C ATOM 2769 C ILE C 102 -10.272 -15.792 -37.262 1.00 13.74 C ANISOU 2769 C ILE C 102 1475 2050 1696 -220 99 -133 C ATOM 2770 O ILE C 102 -11.151 -15.689 -38.115 1.00 14.76 O ANISOU 2770 O ILE C 102 1361 2394 1851 -98 -161 -75 O ATOM 2771 CB ILE C 102 -9.201 -13.493 -37.237 1.00 12.64 C ANISOU 2771 CB ILE C 102 958 1879 1963 -126 -29 -126 C ATOM 2772 CG1 ILE C 102 -7.795 -12.883 -37.040 1.00 14.78 C ANISOU 2772 CG1 ILE C 102 1196 1904 2514 -117 -479 -34 C ATOM 2773 CG2 ILE C 102 -10.061 -13.289 -36.037 1.00 14.33 C ANISOU 2773 CG2 ILE C 102 1368 2177 1898 112 4 -55 C ATOM 2774 CD1 ILE C 102 -7.813 -11.342 -37.007 1.00 15.00 C ANISOU 2774 CD1 ILE C 102 1266 1964 2469 0 -38 -63 C ATOM 0 H ILE C 102 -9.034 -15.052 -39.494 1.00 13.85 H new ATOM 0 HA ILE C 102 -8.323 -15.317 -36.886 1.00 12.97 H new ATOM 0 HB ILE C 102 -9.653 -13.058 -37.977 1.00 12.64 H new ATOM 0 HG12 ILE C 102 -7.416 -13.216 -36.212 1.00 14.78 H new ATOM 0 HG13 ILE C 102 -7.214 -13.180 -37.758 1.00 14.78 H new ATOM 0 HG21 ILE C 102 -10.177 -12.339 -35.879 1.00 14.33 H new ATOM 0 HG22 ILE C 102 -10.927 -13.699 -36.186 1.00 14.33 H new ATOM 0 HG23 ILE C 102 -9.640 -13.696 -35.264 1.00 14.33 H new ATOM 0 HD11 ILE C 102 -6.910 -11.010 -36.882 1.00 15.00 H new ATOM 0 HD12 ILE C 102 -8.168 -11.004 -37.844 1.00 15.00 H new ATOM 0 HD13 ILE C 102 -8.372 -11.040 -36.274 1.00 15.00 H new ATOM 2775 N ASP C 103 -10.306 -16.607 -36.216 1.00 13.70 N ANISOU 2775 N ASP C 103 1340 2002 1860 -222 70 15 N ATOM 2776 CA ASP C 103 -11.580 -17.265 -35.905 1.00 14.07 C ANISOU 2776 CA ASP C 103 1180 2158 2006 -241 296 41 C ATOM 2777 C ASP C 103 -12.171 -16.556 -34.705 1.00 15.73 C ANISOU 2777 C ASP C 103 1579 2388 2007 -38 185 -107 C ATOM 2778 O ASP C 103 -11.473 -16.198 -33.739 1.00 15.02 O ANISOU 2778 O ASP C 103 1269 2508 1927 -160 -4 -202 O ATOM 2779 CB ASP C 103 -11.344 -18.709 -35.467 1.00 16.40 C ANISOU 2779 CB ASP C 103 1723 2263 2244 -314 279 -126 C ATOM 2780 CG ASP C 103 -11.083 -19.652 -36.587 1.00 16.93 C ANISOU 2780 CG ASP C 103 1612 2420 2398 -117 61 -79 C ATOM 2781 OD1 ASP C 103 -11.205 -19.277 -37.758 1.00 18.52 O ANISOU 2781 OD1 ASP C 103 1950 2612 2474 -121 -184 -262 O ATOM 2782 OD2 ASP C 103 -10.813 -20.818 -36.258 1.00 19.35 O ANISOU 2782 OD2 ASP C 103 2073 2463 2813 -393 63 -132 O ATOM 0 H ASP C 103 -9.646 -16.790 -35.696 1.00 13.70 H new ATOM 0 HA ASP C 103 -12.151 -17.239 -36.689 1.00 14.07 H new ATOM 0 HB2 ASP C 103 -10.591 -18.732 -34.856 1.00 16.40 H new ATOM 0 HB3 ASP C 103 -12.120 -19.017 -34.972 1.00 16.40 H new ATOM 2783 N VAL C 104 -13.487 -16.378 -34.724 1.00 14.58 N ANISOU 2783 N VAL C 104 1208 2139 2189 -45 57 -110 N ATOM 2784 CA VAL C 104 -14.259 -15.914 -33.572 1.00 14.33 C ANISOU 2784 CA VAL C 104 1048 2182 2215 -257 -62 -5 C ATOM 2785 C VAL C 104 -15.138 -17.129 -33.191 1.00 13.01 C ANISOU 2785 C VAL C 104 711 2152 2080 -196 -97 -153 C ATOM 2786 O VAL C 104 -15.848 -17.697 -34.042 1.00 16.49 O ANISOU 2786 O VAL C 104 1617 2366 2279 -572 -275 -285 O ATOM 2787 CB VAL C 104 -15.112 -14.683 -33.934 1.00 15.34 C ANISOU 2787 CB VAL C 104 1097 2345 2385 11 -202 1 C ATOM 2788 CG1 VAL C 104 -15.955 -14.266 -32.790 1.00 20.20 C ANISOU 2788 CG1 VAL C 104 2371 2508 2795 167 405 -344 C ATOM 2789 CG2 VAL C 104 -14.193 -13.540 -34.348 1.00 19.29 C ANISOU 2789 CG2 VAL C 104 2027 2113 3187 -329 -144 33 C ATOM 0 H VAL C 104 -13.968 -16.526 -35.421 1.00 14.58 H new ATOM 0 HA VAL C 104 -13.696 -15.626 -32.836 1.00 14.33 H new ATOM 0 HB VAL C 104 -15.700 -14.916 -34.670 1.00 15.34 H new ATOM 0 HG11 VAL C 104 -16.482 -13.491 -33.041 1.00 20.20 H new ATOM 0 HG12 VAL C 104 -16.548 -14.993 -32.543 1.00 20.20 H new ATOM 0 HG13 VAL C 104 -15.389 -14.040 -32.036 1.00 20.20 H new ATOM 0 HG21 VAL C 104 -14.726 -12.763 -34.577 1.00 19.29 H new ATOM 0 HG22 VAL C 104 -13.599 -13.320 -33.613 1.00 19.29 H new ATOM 0 HG23 VAL C 104 -13.668 -13.809 -35.118 1.00 19.29 H new ATOM 2790 N AMET C 105 -15.133 -17.453 -31.926 0.60 13.62 N ANISOU 2790 N AMET C 105 969 2086 2119 -33 32 -27 N ATOM 2791 N BMET C 105 -15.074 -17.549 -31.924 0.40 14.59 N ANISOU 2791 N BMET C 105 1147 2162 2234 -101 51 -39 N ATOM 2792 CA AMET C 105 -15.951 -18.552 -31.453 0.60 14.29 C ANISOU 2792 CA AMET C 105 1221 2118 2088 -210 14 -93 C ATOM 2793 CA BMET C 105 -15.860 -18.698 -31.363 0.40 15.35 C ANISOU 2793 CA BMET C 105 1297 2245 2288 -193 117 -126 C ATOM 2794 C AMET C 105 -16.819 -18.099 -30.321 0.60 14.50 C ANISOU 2794 C AMET C 105 997 2164 2348 -225 125 -158 C ATOM 2795 C BMET C 105 -16.762 -18.255 -30.229 0.40 14.60 C ANISOU 2795 C BMET C 105 959 2180 2408 -128 115 -147 C ATOM 2796 O AMET C 105 -16.427 -17.228 -29.520 0.60 16.92 O ANISOU 2796 O AMET C 105 1647 2268 2513 -453 342 -118 O ATOM 2797 O BMET C 105 -16.280 -17.596 -29.282 0.40 15.11 O ANISOU 2797 O BMET C 105 1088 2325 2328 -211 229 -70 O ATOM 2798 CB AMET C 105 -15.055 -19.693 -30.955 0.60 15.32 C ANISOU 2798 CB AMET C 105 1533 2094 2191 -53 -18 -69 C ATOM 2799 CB BMET C 105 -14.948 -19.759 -30.699 0.40 16.84 C ANISOU 2799 CB BMET C 105 1631 2328 2438 -72 34 -43 C ATOM 2800 CG AMET C 105 -14.255 -20.355 -32.055 0.60 14.36 C ANISOU 2800 CG AMET C 105 894 2529 2030 -250 -254 -275 C ATOM 2801 CG BMET C 105 -14.421 -20.907 -31.564 0.40 17.81 C ANISOU 2801 CG BMET C 105 1447 2645 2675 -85 247 -130 C ATOM 2802 SD AMET C 105 -13.155 -21.652 -31.449 0.60 15.91 S ANISOU 2802 SD AMET C 105 1216 2300 2527 58 -318 4 S ATOM 2803 SD BMET C 105 -13.260 -20.120 -32.685 0.40 20.68 S ANISOU 2803 SD BMET C 105 1961 2953 2942 -237 419 8 S ATOM 2804 CE AMET C 105 -12.507 -22.255 -32.991 0.60 18.16 C ANISOU 2804 CE AMET C 105 1839 2650 2411 260 103 19 C ATOM 2805 CE BMET C 105 -12.423 -21.514 -33.457 0.40 20.10 C ANISOU 2805 CE BMET C 105 2316 2484 2836 128 299 -153 C ATOM 0 H AMET C 105 -14.668 -17.057 -31.321 0.60 14.59 H new ATOM 0 H BMET C 105 -14.565 -17.175 -31.341 0.40 14.59 H new ATOM 0 HA AMET C 105 -16.504 -18.861 -32.187 0.60 15.35 H new ATOM 0 HA BMET C 105 -16.349 -19.051 -32.123 0.40 15.35 H new ATOM 0 HB2AMET C 105 -14.445 -19.347 -30.285 0.60 16.84 H new ATOM 0 HB2BMET C 105 -14.183 -19.297 -30.322 0.40 16.84 H new ATOM 0 HB3AMET C 105 -15.607 -20.361 -30.519 0.60 16.84 H new ATOM 0 HB3BMET C 105 -15.438 -20.148 -29.958 0.40 16.84 H new ATOM 0 HG2AMET C 105 -14.865 -20.734 -32.707 0.60 17.81 H new ATOM 0 HG2BMET C 105 -13.987 -21.586 -31.025 0.40 17.81 H new ATOM 0 HG3AMET C 105 -13.730 -19.682 -32.515 0.60 17.81 H new ATOM 0 HG3BMET C 105 -15.139 -21.344 -32.048 0.40 17.81 H new ATOM 0 HE1AMET C 105 -12.742 -23.190 -33.097 0.60 20.10 H new ATOM 0 HE1BMET C 105 -12.093 -21.250 -34.330 0.40 20.10 H new ATOM 0 HE2AMET C 105 -12.884 -21.742 -33.723 0.60 20.10 H new ATOM 0 HE2BMET C 105 -11.679 -21.793 -32.901 0.40 20.10 H new ATOM 0 HE3AMET C 105 -11.541 -22.162 -32.995 0.60 20.10 H new ATOM 0 HE3BMET C 105 -13.046 -22.251 -33.556 0.40 20.10 H new ATOM 2806 N ARG C 106 -18.048 -18.655 -30.293 1.00 15.37 N ANISOU 2806 N ARG C 106 924 2331 2582 -336 176 -152 N ATOM 2807 CA ARG C 106 -18.963 -18.517 -29.176 1.00 18.27 C ANISOU 2807 CA ARG C 106 1692 2503 2747 -289 112 -204 C ATOM 2808 C ARG C 106 -19.144 -19.879 -28.554 1.00 16.39 C ANISOU 2808 C ARG C 106 1008 2521 2697 -347 546 -256 C ATOM 2809 O ARG C 106 -19.483 -20.827 -29.277 1.00 18.65 O ANISOU 2809 O ARG C 106 1908 2301 2877 -598 266 -516 O ATOM 2810 CB ARG C 106 -20.296 -17.936 -29.593 1.00 20.01 C ANISOU 2810 CB ARG C 106 1552 2787 3262 -71 50 -105 C ATOM 2811 CG ARG C 106 -21.217 -17.876 -28.362 1.00 25.77 C ANISOU 2811 CG ARG C 106 2547 3664 3578 -3 224 -136 C ATOM 2812 CD ARG C 106 -22.610 -17.204 -28.554 1.00 31.81 C ANISOU 2812 CD ARG C 106 3259 4291 4536 223 -13 -20 C ATOM 2813 NE ARG C 106 -22.919 -16.317 -27.423 1.00 42.84 N ANISOU 2813 NE ARG C 106 5225 5590 5462 166 43 -351 N ATOM 2814 CZ ARG C 106 -24.123 -15.808 -27.118 1.00 45.30 C ANISOU 2814 CZ ARG C 106 5380 5997 5832 194 6 -198 C ATOM 2815 NH1 ARG C 106 -25.204 -16.068 -27.853 1.00 47.66 N ANISOU 2815 NH1 ARG C 106 5844 6151 6112 0 -87 -148 N ATOM 2816 NH2 ARG C 106 -24.234 -15.007 -26.063 1.00 48.39 N ANISOU 2816 NH2 ARG C 106 5920 6418 6047 207 54 -167 N ATOM 0 H AARG C 106 -18.364 -19.127 -30.939 0.60 15.37 H new ATOM 0 H BARG C 106 -18.400 -19.012 -30.992 0.40 15.37 H new ATOM 0 HA ARG C 106 -18.587 -17.894 -28.534 1.00 18.27 H new ATOM 0 HB2 ARG C 106 -20.174 -17.048 -29.965 1.00 20.01 H new ATOM 0 HB3 ARG C 106 -20.698 -18.482 -30.287 1.00 20.01 H new ATOM 0 HG2 ARG C 106 -21.360 -18.783 -28.048 1.00 25.77 H new ATOM 0 HG3 ARG C 106 -20.748 -17.402 -27.657 1.00 25.77 H new ATOM 0 HD2 ARG C 106 -22.618 -16.697 -29.381 1.00 31.81 H new ATOM 0 HD3 ARG C 106 -23.295 -17.886 -28.633 1.00 31.81 H new ATOM 0 HE ARG C 106 -22.265 -16.104 -26.907 1.00 42.84 H new ATOM 0 HH11 ARG C 106 -25.142 -16.575 -28.545 1.00 47.66 H new ATOM 0 HH12 ARG C 106 -25.964 -15.729 -27.635 1.00 47.66 H new ATOM 0 HH21 ARG C 106 -23.541 -14.823 -25.588 1.00 48.39 H new ATOM 0 HH22 ARG C 106 -24.999 -14.673 -25.855 1.00 48.39 H new ATOM 2817 N PHE C 107 -18.845 -20.001 -27.257 1.00 19.78 N ANISOU 2817 N PHE C 107 1881 2703 2931 -403 450 -291 N ATOM 2818 CA PHE C 107 -18.976 -21.269 -26.520 1.00 19.79 C ANISOU 2818 CA PHE C 107 1990 2710 2817 -283 625 -287 C ATOM 2819 C PHE C 107 -20.303 -21.300 -25.797 1.00 22.95 C ANISOU 2819 C PHE C 107 2378 2844 3498 -278 837 -339 C ATOM 2820 O PHE C 107 -20.920 -20.267 -25.499 1.00 25.02 O ANISOU 2820 O PHE C 107 2433 3238 3834 -355 1097 -421 O ATOM 2821 CB PHE C 107 -17.826 -21.457 -25.526 1.00 20.10 C ANISOU 2821 CB PHE C 107 2080 2758 2797 -530 463 -284 C ATOM 2822 CG PHE C 107 -16.483 -21.631 -26.214 1.00 17.58 C ANISOU 2822 CG PHE C 107 1679 2689 2308 -756 271 -310 C ATOM 2823 CD1 PHE C 107 -15.742 -20.533 -26.633 1.00 19.28 C ANISOU 2823 CD1 PHE C 107 1994 2874 2456 -622 151 -96 C ATOM 2824 CD2 PHE C 107 -15.999 -22.879 -26.475 1.00 19.38 C ANISOU 2824 CD2 PHE C 107 2164 2768 2429 -543 50 -196 C ATOM 2825 CE1 PHE C 107 -14.513 -20.729 -27.321 1.00 19.57 C ANISOU 2825 CE1 PHE C 107 1829 3253 2352 -323 37 -148 C ATOM 2826 CE2 PHE C 107 -14.816 -23.092 -27.152 1.00 21.49 C ANISOU 2826 CE2 PHE C 107 2423 2959 2782 -357 244 -127 C ATOM 2827 CZ PHE C 107 -14.052 -21.991 -27.563 1.00 20.50 C ANISOU 2827 CZ PHE C 107 2064 3217 2505 -498 -186 -207 C ATOM 0 H PHE C 107 -18.559 -19.348 -26.776 1.00 19.78 H new ATOM 0 HA PHE C 107 -18.937 -21.999 -27.157 1.00 19.79 H new ATOM 0 HB2 PHE C 107 -17.786 -20.689 -24.934 1.00 20.10 H new ATOM 0 HB3 PHE C 107 -18.005 -22.233 -24.972 1.00 20.10 H new ATOM 0 HD1 PHE C 107 -16.049 -19.672 -26.464 1.00 19.28 H new ATOM 0 HD2 PHE C 107 -16.486 -23.616 -26.185 1.00 19.38 H new ATOM 0 HE1 PHE C 107 -14.021 -19.994 -27.608 1.00 19.57 H new ATOM 0 HE2 PHE C 107 -14.528 -23.957 -27.334 1.00 21.49 H new ATOM 0 HZ PHE C 107 -13.239 -22.119 -27.996 1.00 20.50 H new ATOM 2828 N ASP C 108 -20.741 -22.519 -25.575 1.00 23.26 N ANISOU 2828 N ASP C 108 2248 3101 3488 -520 1050 -321 N ATOM 2829 CA ASP C 108 -22.008 -22.697 -24.857 1.00 26.27 C ANISOU 2829 CA ASP C 108 2557 3600 3823 -486 693 -208 C ATOM 2830 C ASP C 108 -21.724 -22.990 -23.414 1.00 28.23 C ANISOU 2830 C ASP C 108 2929 3947 3848 -392 742 -274 C ATOM 2831 O ASP C 108 -20.591 -23.096 -22.978 1.00 28.77 O ANISOU 2831 O ASP C 108 3338 3991 3602 -485 934 -403 O ATOM 2832 CB ASP C 108 -22.875 -23.788 -25.545 1.00 24.81 C ANISOU 2832 CB ASP C 108 1975 3485 3964 -647 690 -127 C ATOM 2833 CG ASP C 108 -22.336 -25.186 -25.379 1.00 24.74 C ANISOU 2833 CG ASP C 108 2049 3664 3684 -353 718 -159 C ATOM 2834 OD1 ASP C 108 -21.444 -25.429 -24.553 1.00 28.10 O ANISOU 2834 OD1 ASP C 108 3212 3833 3630 -781 637 -48 O ATOM 2835 OD2 ASP C 108 -22.808 -26.070 -26.147 1.00 29.53 O ANISOU 2835 OD2 ASP C 108 2669 3966 4583 -396 607 -631 O ATOM 0 H ASP C 108 -20.344 -23.243 -25.817 1.00 23.26 H new ATOM 0 HA ASP C 108 -22.529 -21.880 -24.889 1.00 26.27 H new ATOM 0 HB2 ASP C 108 -23.774 -23.752 -25.182 1.00 24.81 H new ATOM 0 HB3 ASP C 108 -22.943 -23.587 -26.491 1.00 24.81 H new ATOM 2836 N GLU C 109 -22.818 -23.207 -22.679 1.00 31.59 N ANISOU 2836 N GLU C 109 3578 4326 4096 -461 739 -149 N ATOM 2837 CA GLU C 109 -22.737 -23.515 -21.284 1.00 35.35 C ANISOU 2837 CA GLU C 109 4443 4679 4308 -195 516 -126 C ATOM 2838 C GLU C 109 -22.014 -24.801 -20.903 1.00 36.44 C ANISOU 2838 C GLU C 109 4652 4898 4295 -146 449 -57 C ATOM 2839 O GLU C 109 -21.896 -25.081 -19.722 1.00 39.13 O ANISOU 2839 O GLU C 109 5183 5296 4388 -38 233 -160 O ATOM 2840 CB GLU C 109 -24.169 -23.533 -20.711 1.00 37.20 C ANISOU 2840 CB GLU C 109 4566 5024 4541 -245 549 -135 C ATOM 2841 CG GLU C 109 -24.980 -24.759 -21.150 1.00 40.93 C ANISOU 2841 CG GLU C 109 5110 5202 5238 -217 327 -55 C ATOM 2842 CD GLU C 109 -25.615 -24.662 -22.534 1.00 46.85 C ANISOU 2842 CD GLU C 109 6007 5959 5833 -96 88 -51 C ATOM 2843 OE1 GLU C 109 -25.893 -23.541 -23.030 1.00 50.36 O ANISOU 2843 OE1 GLU C 109 6470 6166 6495 -20 119 20 O ATOM 2844 OE2 GLU C 109 -25.862 -25.734 -23.138 1.00 49.96 O ANISOU 2844 OE2 GLU C 109 6362 5958 6661 -67 84 -76 O ATOM 0 H GLU C 109 -23.619 -23.176 -22.990 1.00 31.59 H new ATOM 0 HA GLU C 109 -22.182 -22.819 -20.900 1.00 35.35 H new ATOM 0 HB2 GLU C 109 -24.124 -23.512 -19.742 1.00 37.20 H new ATOM 0 HB3 GLU C 109 -24.633 -22.728 -20.991 1.00 37.20 H new ATOM 0 HG2 GLU C 109 -24.399 -25.536 -21.131 1.00 40.93 H new ATOM 0 HG3 GLU C 109 -25.682 -24.914 -20.499 1.00 40.93 H new ATOM 2845 N HIS C 110 -21.678 -25.653 -21.877 1.00 34.96 N ANISOU 2845 N HIS C 110 4619 4649 4013 -173 586 -10 N ATOM 2846 CA HIS C 110 -20.925 -26.865 -21.626 1.00 34.87 C ANISOU 2846 CA HIS C 110 4602 4646 4001 -134 397 5 C ATOM 2847 C HIS C 110 -19.476 -26.733 -22.099 1.00 33.35 C ANISOU 2847 C HIS C 110 4567 4278 3825 -96 374 -49 C ATOM 2848 O HIS C 110 -18.699 -27.692 -22.058 1.00 34.44 O ANISOU 2848 O HIS C 110 4633 4589 3863 18 391 51 O ATOM 2849 CB HIS C 110 -21.590 -28.071 -22.326 1.00 36.28 C ANISOU 2849 CB HIS C 110 4812 4717 4254 -76 402 -46 C ATOM 2850 CG HIS C 110 -23.033 -28.277 -21.976 1.00 40.06 C ANISOU 2850 CG HIS C 110 5158 5124 4937 -155 190 -13 C ATOM 2851 ND1 HIS C 110 -24.006 -28.441 -22.934 1.00 43.52 N ANISOU 2851 ND1 HIS C 110 5474 5825 5234 -14 25 26 N ATOM 2852 CD2 HIS C 110 -23.664 -28.366 -20.783 1.00 41.58 C ANISOU 2852 CD2 HIS C 110 5199 5492 5105 6 196 81 C ATOM 2853 CE1 HIS C 110 -25.174 -28.634 -22.350 1.00 44.97 C ANISOU 2853 CE1 HIS C 110 5736 5902 5449 -140 80 -26 C ATOM 2854 NE2 HIS C 110 -24.994 -28.592 -21.045 1.00 44.52 N ANISOU 2854 NE2 HIS C 110 5631 5922 5360 -146 9 72 N ATOM 0 H HIS C 110 -21.886 -25.535 -22.703 1.00 34.96 H new ATOM 0 HA HIS C 110 -20.922 -27.011 -20.667 1.00 34.87 H new ATOM 0 HB2 HIS C 110 -21.516 -27.954 -23.286 1.00 36.28 H new ATOM 0 HB3 HIS C 110 -21.096 -28.874 -22.099 1.00 36.28 H new ATOM 0 HD2 HIS C 110 -23.272 -28.289 -19.943 1.00 41.58 H new ATOM 0 HE1 HIS C 110 -25.984 -28.775 -22.784 1.00 44.97 H new ATOM 0 HE2 HIS C 110 -25.610 -28.690 -20.453 1.00 44.52 H new ATOM 2855 N GLY C 111 -19.089 -25.537 -22.518 1.00 30.00 N ANISOU 2855 N GLY C 111 4299 4026 3072 -168 423 -119 N ATOM 2856 CA GLY C 111 -17.752 -25.355 -22.971 1.00 27.91 C ANISOU 2856 CA GLY C 111 3832 3665 3107 -96 141 -285 C ATOM 2857 C GLY C 111 -17.579 -25.881 -24.393 1.00 24.06 C ANISOU 2857 C GLY C 111 3122 3407 2610 -149 258 -104 C ATOM 2858 O GLY C 111 -16.466 -26.161 -24.795 1.00 25.19 O ANISOU 2858 O GLY C 111 3158 3517 2893 -120 53 -283 O ATOM 0 H GLY C 111 -19.587 -24.836 -22.543 1.00 30.00 H new ATOM 0 HA2 GLY C 111 -17.522 -24.413 -22.941 1.00 27.91 H new ATOM 0 HA3 GLY C 111 -17.140 -25.815 -22.376 1.00 27.91 H new ATOM 2859 N ARG C 112 -18.662 -26.025 -25.166 1.00 21.96 N ANISOU 2859 N ARG C 112 2878 3015 2449 -516 299 144 N ATOM 2860 CA ARG C 112 -18.501 -26.507 -26.562 1.00 19.74 C ANISOU 2860 CA ARG C 112 2330 2576 2594 -497 190 -95 C ATOM 2861 C ARG C 112 -18.720 -25.364 -27.499 1.00 18.85 C ANISOU 2861 C ARG C 112 2127 2463 2569 -500 160 -166 C ATOM 2862 O ARG C 112 -19.377 -24.387 -27.135 1.00 19.73 O ANISOU 2862 O ARG C 112 2246 2536 2712 -273 468 -220 O ATOM 2863 CB ARG C 112 -19.522 -27.603 -26.841 1.00 21.87 C ANISOU 2863 CB ARG C 112 2747 2691 2870 -608 132 -76 C ATOM 2864 CG ARG C 112 -19.208 -28.819 -25.984 1.00 28.43 C ANISOU 2864 CG ARG C 112 3956 3325 3521 -505 50 164 C ATOM 2865 CD ARG C 112 -20.003 -30.026 -26.313 1.00 35.87 C ANISOU 2865 CD ARG C 112 4892 4034 4700 -441 -204 -82 C ATOM 2866 NE ARG C 112 -19.708 -31.154 -25.408 1.00 42.57 N ANISOU 2866 NE ARG C 112 5731 4943 5499 35 -170 202 N ATOM 2867 CZ ARG C 112 -18.534 -31.787 -25.303 1.00 44.58 C ANISOU 2867 CZ ARG C 112 5698 5487 5753 30 3 81 C ATOM 2868 NH1 ARG C 112 -17.465 -31.400 -25.996 1.00 44.05 N ANISOU 2868 NH1 ARG C 112 5984 5526 5227 209 114 29 N ATOM 2869 NH2 ARG C 112 -18.417 -32.812 -24.458 1.00 46.87 N ANISOU 2869 NH2 ARG C 112 6117 5804 5884 107 121 161 N ATOM 0 H ARG C 112 -19.470 -25.859 -24.922 1.00 21.96 H new ATOM 0 HA ARG C 112 -17.608 -26.864 -26.687 1.00 19.74 H new ATOM 0 HB2 ARG C 112 -20.417 -27.282 -26.648 1.00 21.87 H new ATOM 0 HB3 ARG C 112 -19.504 -27.844 -27.780 1.00 21.87 H new ATOM 0 HG2 ARG C 112 -18.266 -29.031 -26.077 1.00 28.43 H new ATOM 0 HG3 ARG C 112 -19.357 -28.591 -25.053 1.00 28.43 H new ATOM 0 HD2 ARG C 112 -20.948 -29.812 -26.263 1.00 35.87 H new ATOM 0 HD3 ARG C 112 -19.821 -30.292 -27.228 1.00 35.87 H new ATOM 0 HE ARG C 112 -20.348 -31.429 -24.903 1.00 42.57 H new ATOM 0 HH11 ARG C 112 -17.518 -30.727 -26.528 1.00 44.05 H new ATOM 0 HH12 ARG C 112 -16.721 -31.823 -25.911 1.00 44.05 H new ATOM 0 HH21 ARG C 112 -19.092 -33.060 -23.987 1.00 46.87 H new ATOM 0 HH22 ARG C 112 -17.666 -33.225 -24.384 1.00 46.87 H new ATOM 2870 N ILE C 113 -18.115 -25.395 -28.667 1.00 16.28 N ANISOU 2870 N ILE C 113 1384 2390 2410 -436 68 -29 N ATOM 2871 CA ILE C 113 -18.258 -24.278 -29.600 1.00 15.84 C ANISOU 2871 CA ILE C 113 976 2389 2651 -377 95 -113 C ATOM 2872 C ILE C 113 -19.631 -24.337 -30.221 1.00 15.69 C ANISOU 2872 C ILE C 113 1241 1993 2726 -514 52 -99 C ATOM 2873 O ILE C 113 -19.991 -25.340 -30.849 1.00 17.30 O ANISOU 2873 O ILE C 113 1470 2113 2989 -445 -208 -294 O ATOM 2874 CB ILE C 113 -17.179 -24.436 -30.754 1.00 16.24 C ANISOU 2874 CB ILE C 113 1476 2263 2430 -142 89 13 C ATOM 2875 CG1 ILE C 113 -15.726 -24.598 -30.266 1.00 16.17 C ANISOU 2875 CG1 ILE C 113 815 2711 2618 -257 -130 -118 C ATOM 2876 CG2 ILE C 113 -17.348 -23.283 -31.786 1.00 17.65 C ANISOU 2876 CG2 ILE C 113 1552 2355 2797 -262 -133 -136 C ATOM 2877 CD1 ILE C 113 -14.812 -25.063 -31.318 1.00 18.14 C ANISOU 2877 CD1 ILE C 113 1575 2846 2470 -249 463 -184 C ATOM 0 H ILE C 113 -17.621 -26.041 -28.945 1.00 16.28 H new ATOM 0 HA ILE C 113 -18.134 -23.437 -29.133 1.00 15.84 H new ATOM 0 HB ILE C 113 -17.357 -25.283 -31.192 1.00 16.24 H new ATOM 0 HG12 ILE C 113 -15.409 -23.748 -29.923 1.00 16.17 H new ATOM 0 HG13 ILE C 113 -15.707 -25.227 -29.528 1.00 16.17 H new ATOM 0 HG21 ILE C 113 -16.689 -23.380 -32.491 1.00 17.65 H new ATOM 0 HG22 ILE C 113 -18.238 -23.320 -32.169 1.00 17.65 H new ATOM 0 HG23 ILE C 113 -17.223 -22.430 -31.342 1.00 17.65 H new ATOM 0 HD11 ILE C 113 -13.916 -25.146 -30.955 1.00 18.14 H new ATOM 0 HD12 ILE C 113 -15.109 -25.926 -31.647 1.00 18.14 H new ATOM 0 HD13 ILE C 113 -14.807 -24.424 -32.048 1.00 18.14 H new ATOM 2878 N GLN C 114 -20.422 -23.283 -30.009 1.00 16.65 N ANISOU 2878 N GLN C 114 1378 2106 2840 -278 162 -218 N ATOM 2879 CA GLN C 114 -21.769 -23.218 -30.557 1.00 19.61 C ANISOU 2879 CA GLN C 114 1670 2591 3187 -154 214 -216 C ATOM 2880 C GLN C 114 -21.745 -22.589 -31.954 1.00 19.54 C ANISOU 2880 C GLN C 114 1901 2525 2997 -178 -95 -344 C ATOM 2881 O GLN C 114 -22.481 -23.011 -32.868 1.00 18.79 O ANISOU 2881 O GLN C 114 1158 2740 3240 -291 -234 -315 O ATOM 2882 CB GLN C 114 -22.612 -22.356 -29.621 1.00 23.12 C ANISOU 2882 CB GLN C 114 2023 3189 3572 116 253 -197 C ATOM 2883 CG GLN C 114 -24.001 -22.343 -29.865 1.00 28.09 C ANISOU 2883 CG GLN C 114 2948 3684 4038 -72 -99 -17 C ATOM 2884 CD GLN C 114 -24.637 -21.573 -28.701 1.00 36.55 C ANISOU 2884 CD GLN C 114 4321 4647 4916 370 380 -133 C ATOM 2885 OE1 GLN C 114 -24.409 -20.368 -28.529 1.00 42.76 O ANISOU 2885 OE1 GLN C 114 5187 5292 5768 -7 141 104 O ATOM 2886 NE2 GLN C 114 -25.270 -22.306 -27.812 1.00 39.64 N ANISOU 2886 NE2 GLN C 114 4390 5100 5572 60 107 227 N ATOM 0 H GLN C 114 -20.192 -22.595 -29.548 1.00 16.65 H new ATOM 0 HA GLN C 114 -22.142 -24.110 -30.632 1.00 19.61 H new ATOM 0 HB2 GLN C 114 -22.465 -22.661 -28.712 1.00 23.12 H new ATOM 0 HB3 GLN C 114 -22.286 -21.444 -29.671 1.00 23.12 H new ATOM 0 HG2 GLN C 114 -24.199 -21.914 -30.712 1.00 28.09 H new ATOM 0 HG3 GLN C 114 -24.352 -23.246 -29.915 1.00 28.09 H new ATOM 0 HE21 GLN C 114 -25.411 -23.140 -27.965 1.00 39.64 H new ATOM 0 HE22 GLN C 114 -25.543 -21.951 -27.078 1.00 39.64 H new ATOM 2887 N THR C 115 -20.891 -21.566 -32.136 1.00 18.14 N ANISOU 2887 N THR C 115 1563 2343 2985 -173 131 -147 N ATOM 2888 CA ATHR C 115 -20.809 -20.880 -33.420 0.60 18.93 C ANISOU 2888 CA ATHR C 115 1711 2575 2905 -189 -72 -75 C ATOM 2889 CA BTHR C 115 -20.763 -20.961 -33.462 0.40 18.77 C ANISOU 2889 CA BTHR C 115 1744 2512 2874 -202 -51 -88 C ATOM 2890 C THR C 115 -19.344 -20.533 -33.659 1.00 18.55 C ANISOU 2890 C THR C 115 1826 2541 2679 -334 -145 0 C ATOM 2891 O THR C 115 -18.643 -20.136 -32.702 1.00 19.78 O ANISOU 2891 O THR C 115 2301 2562 2652 -496 -107 -176 O ATOM 2892 CB ATHR C 115 -21.674 -19.583 -33.444 0.60 21.65 C ANISOU 2892 CB ATHR C 115 2367 2698 3160 -75 -167 -47 C ATOM 2893 CB BTHR C 115 -21.602 -19.683 -33.700 0.40 20.39 C ANISOU 2893 CB BTHR C 115 2102 2616 3027 -149 -49 0 C ATOM 2894 OG1ATHR C 115 -21.524 -18.934 -34.716 0.60 25.91 O ANISOU 2894 OG1ATHR C 115 2794 3480 3570 271 192 147 O ATOM 2895 OG1BTHR C 115 -20.977 -18.549 -33.094 0.40 24.27 O ANISOU 2895 OG1BTHR C 115 2706 3014 3499 -24 82 -209 O ATOM 2896 CG2ATHR C 115 -21.256 -18.624 -32.388 0.60 25.17 C ANISOU 2896 CG2ATHR C 115 2845 3184 3532 -66 25 -4 C ATOM 2897 CG2BTHR C 115 -23.007 -19.831 -33.215 0.40 16.58 C ANISOU 2897 CG2BTHR C 115 1088 2213 2998 94 -40 -2 C ATOM 0 H ATHR C 115 -20.360 -21.263 -31.531 0.60 18.14 H new ATOM 0 H BTHR C 115 -20.395 -21.222 -31.524 0.40 18.14 H new ATOM 0 HA ATHR C 115 -21.153 -21.460 -34.117 0.60 18.77 H new ATOM 0 HA BTHR C 115 -21.077 -21.647 -34.072 0.40 18.77 H new ATOM 0 HB ATHR C 115 -22.595 -19.843 -33.287 0.60 20.39 H new ATOM 0 HB BTHR C 115 -21.643 -19.543 -34.659 0.40 20.39 H new ATOM 0 HG1ATHR C 115 -21.626 -19.497 -35.332 0.60 24.27 H new ATOM 0 HG1BTHR C 115 -20.789 -17.983 -33.685 0.40 24.27 H new ATOM 0 HG21ATHR C 115 -21.813 -17.831 -32.432 0.60 16.58 H new ATOM 0 HG21BTHR C 115 -23.496 -19.010 -33.383 0.40 16.58 H new ATOM 0 HG22ATHR C 115 -21.353 -19.039 -31.517 0.60 16.58 H new ATOM 0 HG22BTHR C 115 -23.436 -20.564 -33.684 0.40 16.58 H new ATOM 0 HG23ATHR C 115 -20.329 -18.375 -32.526 0.60 16.58 H new ATOM 0 HG23BTHR C 115 -23.003 -20.015 -32.263 0.40 16.58 H new ATOM 2898 N AMET C 116 -18.876 -20.745 -34.896 0.50 17.29 N ANISOU 2898 N AMET C 116 1438 2567 2564 -591 -217 147 N ATOM 2899 N BMET C 116 -18.904 -20.632 -34.883 0.50 19.48 N ANISOU 2899 N BMET C 116 1910 2767 2723 -527 -199 85 N ATOM 2900 CA AMET C 116 -17.500 -20.380 -35.303 0.50 15.43 C ANISOU 2900 CA AMET C 116 1121 2533 2209 -561 -363 129 C ATOM 2901 CA BMET C 116 -17.636 -20.072 -35.155 0.50 19.50 C ANISOU 2901 CA BMET C 116 1950 2867 2589 -502 -219 95 C ATOM 2902 C AMET C 116 -17.591 -19.541 -36.599 0.50 17.08 C ANISOU 2902 C AMET C 116 1708 2546 2235 -509 -336 25 C ATOM 2903 C BMET C 116 -17.816 -19.330 -36.442 0.50 19.11 C ANISOU 2903 C BMET C 116 1934 2769 2558 -517 -263 56 C ATOM 2904 O AMET C 116 -18.210 -20.016 -37.583 0.50 14.54 O ANISOU 2904 O AMET C 116 1039 2318 2164 -383 -319 -99 O ATOM 2905 O BMET C 116 -18.674 -19.658 -37.254 0.50 19.64 O ANISOU 2905 O BMET C 116 2055 2927 2479 -517 -426 3 O ATOM 2906 CB AMET C 116 -16.663 -21.618 -35.581 0.50 18.61 C ANISOU 2906 CB AMET C 116 1850 2688 2532 -478 -365 136 C ATOM 2907 CB BMET C 116 -16.608 -21.153 -35.314 0.50 21.69 C ANISOU 2907 CB BMET C 116 2475 2853 2910 -383 -216 -30 C ATOM 2908 CG AMET C 116 -15.190 -21.231 -35.728 0.50 21.70 C ANISOU 2908 CG AMET C 116 2198 3306 2739 -142 -55 -112 C ATOM 2909 CG BMET C 116 -15.201 -20.556 -35.537 0.50 23.45 C ANISOU 2909 CG BMET C 116 2739 3092 3078 -126 -201 -35 C ATOM 2910 SD AMET C 116 -14.708 -20.849 -37.449 0.50 23.09 S ANISOU 2910 SD AMET C 116 2366 3112 3294 199 -94 148 S ATOM 2911 SD BMET C 116 -13.989 -21.806 -35.926 0.50 28.99 S ANISOU 2911 SD BMET C 116 3086 4182 3746 267 -511 -582 S ATOM 2912 CE AMET C 116 -13.985 -22.461 -37.770 0.50 25.23 C ANISOU 2912 CE AMET C 116 2866 3424 3297 9 235 -308 C ATOM 2913 CE BMET C 116 -14.654 -22.551 -37.413 0.50 28.98 C ANISOU 2913 CE BMET C 116 3614 4011 3386 -182 -83 -218 C ATOM 0 H AMET C 116 -19.342 -21.103 -35.524 0.50 19.48 H new ATOM 0 H BMET C 116 -19.310 -21.005 -35.543 0.50 19.48 H new ATOM 0 HA AMET C 116 -17.079 -19.881 -34.585 0.50 19.50 H new ATOM 0 HA BMET C 116 -17.328 -19.496 -34.438 0.50 19.50 H new ATOM 0 HB2AMET C 116 -16.767 -22.257 -34.859 0.50 21.69 H new ATOM 0 HB2BMET C 116 -16.602 -21.716 -34.524 0.50 21.69 H new ATOM 0 HB3AMET C 116 -16.973 -22.053 -36.391 0.50 21.69 H new ATOM 0 HB3BMET C 116 -16.844 -21.720 -36.065 0.50 21.69 H new ATOM 0 HG2AMET C 116 -15.008 -20.459 -35.169 0.50 23.45 H new ATOM 0 HG2BMET C 116 -15.237 -19.908 -36.258 0.50 23.45 H new ATOM 0 HG3AMET C 116 -14.637 -21.957 -35.398 0.50 23.45 H new ATOM 0 HG3BMET C 116 -14.925 -20.078 -34.740 0.50 23.45 H new ATOM 0 HE1AMET C 116 -13.659 -22.494 -38.683 0.50 28.98 H new ATOM 0 HE1BMET C 116 -13.971 -23.093 -37.837 0.50 28.98 H new ATOM 0 HE2AMET C 116 -13.248 -22.613 -37.158 0.50 28.98 H new ATOM 0 HE2BMET C 116 -15.413 -23.109 -37.184 0.50 28.98 H new ATOM 0 HE3AMET C 116 -14.657 -23.149 -37.643 0.50 28.98 H new ATOM 0 HE3BMET C 116 -14.939 -21.854 -38.025 0.50 28.98 H new ATOM 2914 N GLN C 117 -16.944 -18.344 -36.597 1.00 17.39 N ANISOU 2914 N GLN C 117 1469 2663 2473 -678 -305 48 N ATOM 2915 CA GLN C 117 -16.858 -17.572 -37.813 1.00 18.05 C ANISOU 2915 CA GLN C 117 1658 2669 2528 -419 -239 113 C ATOM 2916 C GLN C 117 -15.388 -17.439 -38.153 1.00 16.00 C ANISOU 2916 C GLN C 117 1563 2413 2101 -447 -314 -9 C ATOM 2917 O GLN C 117 -14.648 -16.985 -37.272 1.00 17.72 O ANISOU 2917 O GLN C 117 1607 2912 2212 -481 -532 -263 O ATOM 2918 CB GLN C 117 -17.434 -16.189 -37.611 1.00 19.40 C ANISOU 2918 CB GLN C 117 1758 2908 2705 -368 -252 177 C ATOM 2919 CG GLN C 117 -18.937 -16.203 -37.254 1.00 25.58 C ANISOU 2919 CG GLN C 117 1579 4080 4056 -573 -246 -80 C ATOM 2920 CD GLN C 117 -19.024 -15.091 -36.271 1.00 35.00 C ANISOU 2920 CD GLN C 117 3719 4959 4621 69 17 -137 C ATOM 2921 OE1 GLN C 117 -19.196 -13.885 -36.784 1.00 38.05 O flip ANISOU 2921 OE1 GLN C 117 4167 5760 4529 -195 191 -33 O ATOM 2922 NE2 GLN C 117 -18.743 -15.281 -35.072 1.00 42.99 N flip ANISOU 2922 NE2 GLN C 117 4924 5565 5844 -16 -2 188 N ATOM 0 H AGLN C 117 -16.566 -17.990 -35.910 0.50 17.39 H new ATOM 0 H BGLN C 117 -16.383 -18.106 -35.990 0.50 17.39 H new ATOM 0 HA GLN C 117 -17.356 -18.012 -38.520 1.00 18.05 H new ATOM 0 HB2 GLN C 117 -16.944 -15.741 -36.904 1.00 19.40 H new ATOM 0 HB3 GLN C 117 -17.304 -15.669 -38.420 1.00 19.40 H new ATOM 0 HG2 GLN C 117 -19.497 -16.047 -38.030 1.00 25.58 H new ATOM 0 HG3 GLN C 117 -19.212 -17.050 -36.871 1.00 25.58 H new ATOM 0 HE21 GLN C 117 -18.639 -16.082 -34.776 1.00 42.99 H new ATOM 0 HE22 GLN C 117 -18.653 -14.611 -34.540 1.00 42.99 H new ATOM 2923 N ALA C 118 -14.970 -17.832 -39.350 1.00 16.69 N ANISOU 2923 N ALA C 118 1579 2547 2214 -637 -366 -58 N ATOM 2924 CA ALA C 118 -13.569 -17.727 -39.765 1.00 17.27 C ANISOU 2924 CA ALA C 118 1697 2468 2395 -835 -162 -66 C ATOM 2925 C ALA C 118 -13.418 -16.572 -40.780 1.00 18.19 C ANISOU 2925 C ALA C 118 2231 2653 2027 -530 -516 -53 C ATOM 2926 O ALA C 118 -13.890 -16.682 -41.892 1.00 23.16 O ANISOU 2926 O ALA C 118 3206 3139 2453 -1015 -798 40 O ATOM 2927 CB ALA C 118 -13.094 -19.023 -40.422 1.00 20.21 C ANISOU 2927 CB ALA C 118 2277 2733 2667 -737 -285 -272 C ATOM 0 H ALA C 118 -15.489 -18.168 -39.948 1.00 16.69 H new ATOM 0 HA ALA C 118 -13.031 -17.558 -38.976 1.00 17.27 H new ATOM 0 HB1 ALA C 118 -12.166 -18.930 -40.688 1.00 20.21 H new ATOM 0 HB2 ALA C 118 -13.177 -19.755 -39.791 1.00 20.21 H new ATOM 0 HB3 ALA C 118 -13.637 -19.207 -41.204 1.00 20.21 H new ATOM 2928 N TYR C 119 -12.638 -15.575 -40.449 1.00 14.24 N ANISOU 2928 N TYR C 119 1348 2154 1908 -236 -80 -198 N ATOM 2929 CA TYR C 119 -12.444 -14.436 -41.286 1.00 13.94 C ANISOU 2929 CA TYR C 119 999 2271 2023 -43 85 -222 C ATOM 2930 C TYR C 119 -11.128 -14.630 -42.073 1.00 13.39 C ANISOU 2930 C TYR C 119 817 2228 2040 20 -56 -147 C ATOM 2931 O TYR C 119 -10.047 -14.782 -41.514 1.00 14.81 O ANISOU 2931 O TYR C 119 1003 2648 1976 32 -225 -111 O ATOM 2932 CB TYR C 119 -12.244 -13.165 -40.439 1.00 15.29 C ANISOU 2932 CB TYR C 119 1318 2212 2278 40 158 -172 C ATOM 2933 CG TYR C 119 -13.535 -12.798 -39.778 1.00 15.71 C ANISOU 2933 CG TYR C 119 1443 2103 2423 8 -212 -119 C ATOM 2934 CD1 TYR C 119 -13.904 -13.364 -38.582 1.00 18.69 C ANISOU 2934 CD1 TYR C 119 2192 2587 2321 -151 159 -298 C ATOM 2935 CD2 TYR C 119 -14.401 -11.862 -40.385 1.00 18.35 C ANISOU 2935 CD2 TYR C 119 1601 2850 2518 267 -155 -138 C ATOM 2936 CE1 TYR C 119 -15.117 -13.063 -37.970 1.00 19.30 C ANISOU 2936 CE1 TYR C 119 2233 2320 2777 8 -7 -258 C ATOM 2937 CE2 TYR C 119 -15.692 -11.569 -39.811 1.00 21.14 C ANISOU 2937 CE2 TYR C 119 1513 3173 3345 373 -239 155 C ATOM 2938 CZ TYR C 119 -16.024 -12.170 -38.569 1.00 17.24 C ANISOU 2938 CZ TYR C 119 374 3060 3114 33 586 -101 C ATOM 2939 OH TYR C 119 -17.267 -11.867 -37.975 1.00 25.89 O ANISOU 2939 OH TYR C 119 1738 3964 4134 83 266 -476 O ATOM 0 H TYR C 119 -12.197 -15.544 -39.711 1.00 14.24 H new ATOM 0 HA TYR C 119 -13.220 -14.345 -41.862 1.00 13.94 H new ATOM 0 HB2 TYR C 119 -11.558 -13.315 -39.770 1.00 15.29 H new ATOM 0 HB3 TYR C 119 -11.938 -12.435 -41.000 1.00 15.29 H new ATOM 0 HD1 TYR C 119 -13.327 -13.965 -38.170 1.00 18.69 H new ATOM 0 HD2 TYR C 119 -14.136 -11.429 -41.164 1.00 18.35 H new ATOM 0 HE1 TYR C 119 -15.331 -13.457 -37.155 1.00 19.30 H new ATOM 0 HE2 TYR C 119 -16.290 -11.002 -40.243 1.00 21.14 H new ATOM 0 HH TYR C 119 -17.279 -12.157 -37.187 1.00 25.89 H new ATOM 2940 N TRP C 120 -11.256 -14.565 -43.408 1.00 15.22 N ANISOU 2940 N TRP C 120 1546 2468 1765 -107 2 -296 N ATOM 2941 CA TRP C 120 -10.116 -14.600 -44.289 1.00 16.35 C ANISOU 2941 CA TRP C 120 1922 2607 1681 225 141 -192 C ATOM 2942 C TRP C 120 -10.661 -14.480 -45.711 1.00 16.74 C ANISOU 2942 C TRP C 120 1595 2778 1985 165 175 -252 C ATOM 2943 O TRP C 120 -11.845 -14.735 -45.904 1.00 18.37 O ANISOU 2943 O TRP C 120 1946 2966 2066 -86 -262 -162 O ATOM 2944 CB TRP C 120 -9.279 -15.899 -44.181 1.00 16.82 C ANISOU 2944 CB TRP C 120 1474 2726 2188 85 183 -257 C ATOM 2945 CG TRP C 120 -10.033 -17.196 -44.503 1.00 18.85 C ANISOU 2945 CG TRP C 120 1989 2828 2344 50 -154 -192 C ATOM 2946 CD1 TRP C 120 -10.827 -17.937 -43.639 1.00 21.01 C ANISOU 2946 CD1 TRP C 120 2347 2802 2831 -423 -138 -22 C ATOM 2947 CD2 TRP C 120 -10.094 -17.879 -45.762 1.00 19.59 C ANISOU 2947 CD2 TRP C 120 2507 2480 2454 140 -126 5 C ATOM 2948 NE1 TRP C 120 -11.316 -19.040 -44.278 1.00 22.11 N ANISOU 2948 NE1 TRP C 120 2423 2933 3042 -134 28 -48 N ATOM 2949 CE2 TRP C 120 -10.940 -19.007 -45.589 1.00 21.19 C ANISOU 2949 CE2 TRP C 120 2415 2668 2968 217 44 -395 C ATOM 2950 CE3 TRP C 120 -9.592 -17.604 -47.026 1.00 20.76 C ANISOU 2950 CE3 TRP C 120 2943 2617 2328 230 -93 -266 C ATOM 2951 CZ2 TRP C 120 -11.209 -19.899 -46.629 1.00 24.06 C ANISOU 2951 CZ2 TRP C 120 3164 2895 3082 -84 -37 -442 C ATOM 2952 CZ3 TRP C 120 -9.847 -18.509 -48.076 1.00 23.09 C ANISOU 2952 CZ3 TRP C 120 3119 2917 2734 -32 -155 -487 C ATOM 2953 CH2 TRP C 120 -10.637 -19.635 -47.847 1.00 25.04 C ANISOU 2953 CH2 TRP C 120 3361 3196 2954 -208 -141 -469 C ATOM 0 H TRP C 120 -12.012 -14.500 -43.812 1.00 15.22 H new ATOM 0 HA TRP C 120 -9.519 -13.876 -44.043 1.00 16.35 H new ATOM 0 HB2 TRP C 120 -8.519 -15.827 -44.780 1.00 16.82 H new ATOM 0 HB3 TRP C 120 -8.925 -15.964 -43.280 1.00 16.82 H new ATOM 0 HD1 TRP C 120 -11.001 -17.714 -42.753 1.00 21.01 H new ATOM 0 HE1 TRP C 120 -11.787 -19.659 -43.911 1.00 22.11 H new ATOM 0 HE3 TRP C 120 -9.094 -16.833 -47.178 1.00 20.76 H new ATOM 0 HZ2 TRP C 120 -11.754 -20.642 -46.501 1.00 24.06 H new ATOM 0 HZ3 TRP C 120 -9.489 -18.355 -48.920 1.00 23.09 H new ATOM 0 HH2 TRP C 120 -10.782 -20.230 -48.547 1.00 25.04 H new ATOM 2954 N SER C 121 -9.811 -14.075 -46.648 1.00 17.54 N ANISOU 2954 N SER C 121 2038 2951 1674 212 316 -185 N ATOM 2955 CA SER C 121 -10.140 -14.137 -48.032 1.00 19.43 C ANISOU 2955 CA SER C 121 2488 2956 1938 344 152 -76 C ATOM 2956 C SER C 121 -8.862 -14.466 -48.805 1.00 19.85 C ANISOU 2956 C SER C 121 2835 2765 1939 285 207 -200 C ATOM 2957 O SER C 121 -7.823 -14.707 -48.207 1.00 18.89 O ANISOU 2957 O SER C 121 2590 2727 1860 220 322 -165 O ATOM 2958 CB SER C 121 -10.843 -12.894 -48.563 1.00 22.65 C ANISOU 2958 CB SER C 121 2993 3197 2417 486 -103 -94 C ATOM 2959 OG SER C 121 -9.920 -11.835 -48.541 1.00 25.51 O ANISOU 2959 OG SER C 121 3476 3389 2825 562 46 58 O ATOM 0 H SER C 121 -9.029 -13.758 -46.482 1.00 17.54 H new ATOM 0 HA SER C 121 -10.798 -14.838 -48.160 1.00 19.43 H new ATOM 0 HB2 SER C 121 -11.165 -13.045 -49.465 1.00 22.65 H new ATOM 0 HB3 SER C 121 -11.617 -12.682 -48.017 1.00 22.65 H new ATOM 0 HG SER C 121 -10.006 -11.403 -47.826 1.00 25.51 H new ATOM 2960 N GLU C 122 -8.949 -14.449 -50.120 1.00 20.66 N ANISOU 2960 N GLU C 122 2832 3015 2000 237 214 -129 N ATOM 2961 CA GLU C 122 -7.839 -14.840 -50.924 1.00 22.47 C ANISOU 2961 CA GLU C 122 3241 3356 1939 133 271 -204 C ATOM 2962 C GLU C 122 -6.640 -13.918 -50.689 1.00 24.08 C ANISOU 2962 C GLU C 122 3329 3585 2234 208 212 27 C ATOM 2963 O GLU C 122 -5.476 -14.391 -50.811 1.00 27.26 O ANISOU 2963 O GLU C 122 3642 4503 2213 146 279 128 O ATOM 2964 CB GLU C 122 -8.288 -14.902 -52.405 1.00 24.35 C ANISOU 2964 CB GLU C 122 3485 3594 2170 22 53 -347 C ATOM 2965 CG GLU C 122 -9.464 -15.911 -52.622 1.00 29.12 C ANISOU 2965 CG GLU C 122 3743 4129 3192 -77 352 -273 C ATOM 2966 CD GLU C 122 -10.866 -15.309 -52.387 1.00 31.65 C ANISOU 2966 CD GLU C 122 4045 4247 3732 87 71 -299 C ATOM 2967 OE1 GLU C 122 -10.914 -14.150 -51.942 1.00 29.86 O ANISOU 2967 OE1 GLU C 122 4534 4079 2729 187 132 -535 O ATOM 2968 OE2 GLU C 122 -11.920 -15.990 -52.665 1.00 36.23 O ANISOU 2968 OE2 GLU C 122 4674 5059 4032 -308 192 -534 O ATOM 0 H GLU C 122 -9.649 -14.212 -50.559 1.00 20.66 H new ATOM 0 HA GLU C 122 -7.537 -15.726 -50.671 1.00 22.47 H new ATOM 0 HB2 GLU C 122 -8.564 -14.019 -52.695 1.00 24.35 H new ATOM 0 HB3 GLU C 122 -7.535 -15.161 -52.959 1.00 24.35 H new ATOM 0 HG2 GLU C 122 -9.419 -16.255 -53.528 1.00 29.12 H new ATOM 0 HG3 GLU C 122 -9.343 -16.666 -52.025 1.00 29.12 H new ATOM 2969 N VAL C 123 -6.913 -12.686 -50.264 1.00 25.46 N ANISOU 2969 N VAL C 123 3692 3372 2608 -191 -77 272 N ATOM 2970 CA VAL C 123 -5.909 -11.699 -49.846 1.00 27.69 C ANISOU 2970 CA VAL C 123 3851 3541 3127 -141 -6 264 C ATOM 2971 C VAL C 123 -5.035 -12.190 -48.716 1.00 26.15 C ANISOU 2971 C VAL C 123 3635 3387 2913 -352 -5 290 C ATOM 2972 O VAL C 123 -3.999 -11.578 -48.462 1.00 29.21 O ANISOU 2972 O VAL C 123 3609 4099 3388 -565 -72 713 O ATOM 2973 CB VAL C 123 -6.552 -10.238 -49.423 1.00 26.80 C ANISOU 2973 CB VAL C 123 3854 3377 2952 -52 265 234 C ATOM 2974 CG1 VAL C 123 -7.192 -9.554 -50.584 1.00 32.39 C ANISOU 2974 CG1 VAL C 123 4487 3952 3866 71 99 175 C ATOM 2975 CG2 VAL C 123 -7.536 -10.310 -48.248 1.00 28.02 C ANISOU 2975 CG2 VAL C 123 3755 3692 3197 119 159 101 C ATOM 0 H VAL C 123 -7.718 -12.388 -50.208 1.00 25.46 H new ATOM 0 HA VAL C 123 -5.364 -11.575 -50.639 1.00 27.69 H new ATOM 0 HB VAL C 123 -5.794 -9.711 -49.124 1.00 26.80 H new ATOM 0 HG11 VAL C 123 -7.557 -8.702 -50.297 1.00 32.39 H new ATOM 0 HG12 VAL C 123 -6.530 -9.405 -51.277 1.00 32.39 H new ATOM 0 HG13 VAL C 123 -7.906 -10.110 -50.934 1.00 32.39 H new ATOM 0 HG21 VAL C 123 -7.874 -9.422 -48.054 1.00 28.02 H new ATOM 0 HG22 VAL C 123 -8.276 -10.893 -48.480 1.00 28.02 H new ATOM 0 HG23 VAL C 123 -7.082 -10.661 -47.466 1.00 28.02 H new ATOM 2976 N ASN C 124 -5.458 -13.232 -47.999 1.00 21.58 N ANISOU 2976 N ASN C 124 3069 2714 2416 -244 343 187 N ATOM 2977 CA ASN C 124 -4.739 -13.782 -46.866 1.00 20.87 C ANISOU 2977 CA ASN C 124 2849 2779 2298 -104 291 42 C ATOM 2978 C ASN C 124 -4.008 -15.077 -47.164 1.00 19.78 C ANISOU 2978 C ASN C 124 2687 2757 2069 -79 387 96 C ATOM 2979 O ASN C 124 -3.453 -15.708 -46.288 1.00 19.99 O ANISOU 2979 O ASN C 124 2747 2763 2083 123 375 -40 O ATOM 2980 CB ASN C 124 -5.749 -14.023 -45.732 1.00 18.92 C ANISOU 2980 CB ASN C 124 2358 2431 2399 110 495 73 C ATOM 2981 CG ASN C 124 -6.351 -12.725 -45.248 1.00 19.23 C ANISOU 2981 CG ASN C 124 2578 2505 2223 -189 313 -52 C ATOM 2982 OD1 ASN C 124 -7.587 -12.551 -45.250 1.00 18.93 O ANISOU 2982 OD1 ASN C 124 2430 2635 2128 -235 212 -151 O ATOM 2983 ND2 ASN C 124 -5.491 -11.804 -44.754 1.00 20.93 N ANISOU 2983 ND2 ASN C 124 2988 2405 2558 -479 144 -125 N ATOM 0 H ASN C 124 -6.193 -13.645 -48.169 1.00 21.58 H new ATOM 0 HA ASN C 124 -4.056 -13.139 -46.621 1.00 20.87 H new ATOM 0 HB2 ASN C 124 -6.454 -14.612 -46.044 1.00 18.92 H new ATOM 0 HB3 ASN C 124 -5.309 -14.473 -44.994 1.00 18.92 H new ATOM 0 HD21 ASN C 124 -5.791 -11.068 -44.426 1.00 20.93 H new ATOM 0 HD22 ASN C 124 -4.645 -11.955 -44.768 1.00 20.93 H new ATOM 2984 N LEU C 125 -4.018 -15.482 -48.432 1.00 22.13 N ANISOU 2984 N LEU C 125 2922 3290 2195 41 507 -2 N ATOM 2985 CA LEU C 125 -3.254 -16.651 -48.860 1.00 23.23 C ANISOU 2985 CA LEU C 125 2827 3445 2551 48 382 -29 C ATOM 2986 C LEU C 125 -1.903 -16.243 -49.402 1.00 24.68 C ANISOU 2986 C LEU C 125 2953 3645 2777 -13 406 165 C ATOM 2987 O LEU C 125 -1.808 -15.270 -50.061 1.00 24.18 O ANISOU 2987 O LEU C 125 2463 3777 2947 -49 651 156 O ATOM 2988 CB LEU C 125 -4.029 -17.342 -50.005 1.00 25.15 C ANISOU 2988 CB LEU C 125 3184 3660 2709 186 78 -204 C ATOM 2989 CG LEU C 125 -3.359 -18.607 -50.540 1.00 26.58 C ANISOU 2989 CG LEU C 125 2878 4048 3172 34 -225 -291 C ATOM 2990 CD1 LEU C 125 -3.389 -19.618 -49.430 1.00 31.00 C ANISOU 2990 CD1 LEU C 125 3539 4254 3984 141 -201 -46 C ATOM 2991 CD2 LEU C 125 -4.156 -19.086 -51.799 1.00 30.82 C ANISOU 2991 CD2 LEU C 125 3653 4441 3614 -164 -332 -378 C ATOM 0 H LEU C 125 -4.460 -15.094 -49.059 1.00 22.13 H new ATOM 0 HA LEU C 125 -3.131 -17.239 -48.099 1.00 23.23 H new ATOM 0 HB2 LEU C 125 -4.918 -17.568 -49.690 1.00 25.15 H new ATOM 0 HB3 LEU C 125 -4.138 -16.712 -50.735 1.00 25.15 H new ATOM 0 HG LEU C 125 -2.439 -18.463 -50.811 1.00 26.58 H new ATOM 0 HD11 LEU C 125 -2.971 -20.440 -49.730 1.00 31.00 H new ATOM 0 HD12 LEU C 125 -2.906 -19.271 -48.663 1.00 31.00 H new ATOM 0 HD13 LEU C 125 -4.309 -19.796 -49.179 1.00 31.00 H new ATOM 0 HD21 LEU C 125 -3.746 -19.890 -52.155 1.00 30.82 H new ATOM 0 HD22 LEU C 125 -5.074 -19.275 -51.549 1.00 30.82 H new ATOM 0 HD23 LEU C 125 -4.143 -18.390 -52.475 1.00 30.82 H new ATOM 2992 N SER C 126 -0.911 -17.033 -49.066 1.00 25.57 N ANISOU 2992 N SER C 126 2780 4002 2932 -29 893 123 N ATOM 2993 CA SER C 126 0.447 -16.896 -49.613 1.00 28.76 C ANISOU 2993 CA SER C 126 3179 4431 3316 6 815 129 C ATOM 2994 C SER C 126 0.894 -18.211 -50.228 1.00 30.45 C ANISOU 2994 C SER C 126 3602 4347 3620 70 607 205 C ATOM 2995 O SER C 126 0.995 -19.203 -49.559 1.00 30.17 O ANISOU 2995 O SER C 126 3468 4622 3372 82 884 164 O ATOM 2996 CB SER C 126 1.447 -16.545 -48.496 1.00 30.83 C ANISOU 2996 CB SER C 126 3392 4457 3864 -113 625 91 C ATOM 2997 OG SER C 126 1.096 -15.354 -47.823 1.00 37.73 O ANISOU 2997 OG SER C 126 4516 5264 4556 -194 377 -191 O ATOM 0 H SER C 126 -0.994 -17.680 -48.505 1.00 25.57 H new ATOM 0 HA SER C 126 0.428 -16.192 -50.280 1.00 28.76 H new ATOM 0 HB2 SER C 126 1.487 -17.275 -47.859 1.00 30.83 H new ATOM 0 HB3 SER C 126 2.334 -16.451 -48.876 1.00 30.83 H new ATOM 0 HG SER C 126 0.595 -15.536 -47.173 1.00 37.73 H new ATOM 2998 N VAL C 127 1.179 -18.192 -51.527 1.00 34.39 N ANISOU 2998 N VAL C 127 4267 4791 4006 192 504 136 N ATOM 2999 CA VAL C 127 1.848 -19.306 -52.177 1.00 38.60 C ANISOU 2999 CA VAL C 127 4866 5062 4737 136 284 65 C ATOM 3000 C VAL C 127 3.111 -18.818 -52.882 1.00 40.42 C ANISOU 3000 C VAL C 127 4984 5253 5120 92 265 56 C ATOM 3001 O VAL C 127 3.902 -18.062 -52.301 1.00 43.16 O ANISOU 3001 O VAL C 127 5286 5572 5539 200 199 35 O ATOM 3002 CB VAL C 127 0.923 -20.006 -53.200 1.00 39.32 C ANISOU 3002 CB VAL C 127 4927 5110 4903 102 175 1 C ATOM 3003 CG1 VAL C 127 -0.383 -19.244 -53.389 1.00 41.21 C ANISOU 3003 CG1 VAL C 127 5173 5396 5088 144 105 68 C ATOM 3004 CG2 VAL C 127 1.642 -20.210 -54.519 1.00 40.59 C ANISOU 3004 CG2 VAL C 127 5082 5454 4884 119 146 11 C ATOM 0 H VAL C 127 0.990 -17.536 -52.051 1.00 34.39 H new ATOM 0 HA VAL C 127 2.083 -19.950 -51.490 1.00 38.60 H new ATOM 0 HB VAL C 127 0.693 -20.879 -52.845 1.00 39.32 H new ATOM 0 HG11 VAL C 127 -0.938 -19.708 -54.035 1.00 41.21 H new ATOM 0 HG12 VAL C 127 -0.851 -19.189 -52.541 1.00 41.21 H new ATOM 0 HG13 VAL C 127 -0.192 -18.349 -53.711 1.00 41.21 H new ATOM 0 HG21 VAL C 127 1.048 -20.649 -55.147 1.00 40.59 H new ATOM 0 HG22 VAL C 127 1.912 -19.350 -54.877 1.00 40.59 H new ATOM 0 HG23 VAL C 127 2.427 -20.761 -54.378 1.00 40.59 H new TER 3005 VAL C 127 ATOM 3006 N ASN D 2 -18.575 3.307 -51.634 1.00 47.09 N ANISOU 3006 N ASN D 2 5876 6005 6008 -44 -74 13 N ATOM 3007 CA ASN D 2 -19.446 2.079 -51.717 1.00 47.22 C ANISOU 3007 CA ASN D 2 5964 6001 5975 5 -100 -19 C ATOM 3008 C ASN D 2 -19.008 0.932 -50.790 1.00 46.39 C ANISOU 3008 C ASN D 2 5829 5923 5872 13 -121 -11 C ATOM 3009 O ASN D 2 -17.941 1.019 -50.178 1.00 46.55 O ANISOU 3009 O ASN D 2 5694 6014 5978 66 -195 -86 O ATOM 3010 CB ASN D 2 -19.593 1.620 -53.178 1.00 48.09 C ANISOU 3010 CB ASN D 2 6113 6147 6013 18 -51 -7 C ATOM 3011 CG ASN D 2 -20.696 2.352 -53.893 1.00 49.55 C ANISOU 3011 CG ASN D 2 6280 6402 6144 -50 -98 27 C ATOM 3012 OD1 ASN D 2 -21.849 1.950 -53.831 1.00 51.71 O ANISOU 3012 OD1 ASN D 2 6601 6681 6362 -136 -84 -95 O ATOM 3013 ND2 ASN D 2 -20.357 3.460 -54.543 1.00 51.75 N ANISOU 3013 ND2 ASN D 2 6649 6565 6448 -81 -45 56 N ATOM 0 HA ASN D 2 -20.319 2.340 -51.385 1.00 47.22 H new ATOM 0 HB2 ASN D 2 -18.756 1.762 -53.646 1.00 48.09 H new ATOM 0 HB3 ASN D 2 -19.772 0.667 -53.200 1.00 48.09 H new ATOM 0 HD21 ASN D 2 -20.960 3.926 -54.942 1.00 51.75 H new ATOM 0 HD22 ASN D 2 -19.535 3.711 -54.565 1.00 51.75 H new ATOM 3014 N LEU D 3 -19.839 -0.114 -50.656 1.00 44.83 N ANISOU 3014 N LEU D 3 5618 5783 5633 43 -129 26 N ATOM 3015 CA LEU D 3 -19.577 -1.199 -49.682 1.00 42.93 C ANISOU 3015 CA LEU D 3 5373 5615 5321 175 -134 -7 C ATOM 3016 C LEU D 3 -18.364 -1.994 -50.070 1.00 41.40 C ANISOU 3016 C LEU D 3 5205 5567 4959 230 -165 -108 C ATOM 3017 O LEU D 3 -18.401 -2.740 -51.055 1.00 43.20 O ANISOU 3017 O LEU D 3 5433 5912 5067 344 -277 -83 O ATOM 3018 CB LEU D 3 -20.740 -2.200 -49.552 1.00 44.12 C ANISOU 3018 CB LEU D 3 5543 5728 5492 44 -78 -1 C ATOM 3019 CG LEU D 3 -20.483 -3.502 -48.777 1.00 41.43 C ANISOU 3019 CG LEU D 3 5093 5416 5233 83 -199 -2 C ATOM 3020 CD1 LEU D 3 -20.466 -3.178 -47.300 1.00 42.51 C ANISOU 3020 CD1 LEU D 3 5130 5496 5524 72 -185 -66 C ATOM 3021 CD2 LEU D 3 -21.532 -4.599 -49.027 1.00 44.05 C ANISOU 3021 CD2 LEU D 3 5575 5671 5488 4 19 -84 C ATOM 0 H LEU D 3 -20.558 -0.217 -51.116 1.00 44.83 H new ATOM 0 HA LEU D 3 -19.451 -0.744 -48.835 1.00 42.93 H new ATOM 0 HB2 LEU D 3 -21.481 -1.742 -49.127 1.00 44.12 H new ATOM 0 HB3 LEU D 3 -21.029 -2.438 -50.447 1.00 44.12 H new ATOM 0 HG LEU D 3 -19.635 -3.854 -49.091 1.00 41.43 H new ATOM 0 HD11 LEU D 3 -20.305 -3.989 -46.792 1.00 42.51 H new ATOM 0 HD12 LEU D 3 -19.761 -2.537 -47.117 1.00 42.51 H new ATOM 0 HD13 LEU D 3 -21.321 -2.800 -47.042 1.00 42.51 H new ATOM 0 HD21 LEU D 3 -21.307 -5.387 -48.508 1.00 44.05 H new ATOM 0 HD22 LEU D 3 -22.407 -4.277 -48.761 1.00 44.05 H new ATOM 0 HD23 LEU D 3 -21.545 -4.826 -49.970 1.00 44.05 H new ATOM 3022 N PRO D 4 -17.319 -1.904 -49.236 1.00 38.04 N ANISOU 3022 N PRO D 4 4835 5203 4415 358 -127 -40 N ATOM 3023 CA PRO D 4 -15.978 -2.243 -49.597 1.00 35.22 C ANISOU 3023 CA PRO D 4 4668 4622 4089 421 -149 -154 C ATOM 3024 C PRO D 4 -15.755 -3.706 -50.031 1.00 33.07 C ANISOU 3024 C PRO D 4 4408 4371 3785 521 -35 -107 C ATOM 3025 O PRO D 4 -16.316 -4.674 -49.502 1.00 32.44 O ANISOU 3025 O PRO D 4 4291 4165 3870 620 -29 -362 O ATOM 3026 CB PRO D 4 -15.183 -1.811 -48.346 1.00 33.50 C ANISOU 3026 CB PRO D 4 4350 4517 3860 479 -94 -140 C ATOM 3027 CG PRO D 4 -16.115 -1.916 -47.262 1.00 36.42 C ANISOU 3027 CG PRO D 4 4648 4878 4308 298 -104 -23 C ATOM 3028 CD PRO D 4 -17.379 -1.392 -47.850 1.00 36.96 C ANISOU 3028 CD PRO D 4 4687 5015 4340 413 -219 -126 C ATOM 0 HA PRO D 4 -15.689 -1.795 -50.408 1.00 35.22 H new ATOM 0 HB2 PRO D 4 -14.413 -2.383 -48.204 1.00 33.50 H new ATOM 0 HB3 PRO D 4 -14.850 -0.904 -48.437 1.00 33.50 H new ATOM 0 HG2 PRO D 4 -16.213 -2.833 -46.961 1.00 36.42 H new ATOM 0 HG3 PRO D 4 -15.833 -1.394 -46.495 1.00 36.42 H new ATOM 0 HD2 PRO D 4 -18.161 -1.719 -47.377 1.00 36.96 H new ATOM 0 HD3 PRO D 4 -17.416 -0.423 -47.824 1.00 36.96 H new ATOM 3029 N THR D 5 -14.955 -3.831 -51.059 1.00 31.74 N ANISOU 3029 N THR D 5 4519 4174 3366 509 -189 -130 N ATOM 3030 CA THR D 5 -14.444 -5.132 -51.433 1.00 29.66 C ANISOU 3030 CA THR D 5 4233 3922 3111 541 -317 -155 C ATOM 3031 C THR D 5 -13.462 -5.595 -50.365 1.00 27.72 C ANISOU 3031 C THR D 5 4045 3616 2869 551 -413 -215 C ATOM 3032 O THR D 5 -13.085 -4.837 -49.438 1.00 26.60 O ANISOU 3032 O THR D 5 3882 3428 2794 693 -502 -384 O ATOM 3033 CB THR D 5 -13.629 -5.022 -52.696 1.00 30.80 C ANISOU 3033 CB THR D 5 4442 4211 3049 363 -285 63 C ATOM 3034 OG1 THR D 5 -12.602 -4.043 -52.519 1.00 30.95 O ANISOU 3034 OG1 THR D 5 4919 4124 2715 234 -490 -38 O ATOM 3035 CG2 THR D 5 -14.515 -4.634 -53.914 1.00 32.11 C ANISOU 3035 CG2 THR D 5 4352 4341 3505 412 -545 -112 C ATOM 0 H THR D 5 -14.693 -3.180 -51.556 1.00 31.74 H new ATOM 0 HA THR D 5 -15.196 -5.735 -51.543 1.00 29.66 H new ATOM 0 HB THR D 5 -13.234 -5.889 -52.876 1.00 30.80 H new ATOM 0 HG1 THR D 5 -12.147 -3.983 -53.223 1.00 30.95 H new ATOM 0 HG21 THR D 5 -13.963 -4.571 -54.709 1.00 32.11 H new ATOM 0 HG22 THR D 5 -15.197 -5.311 -54.047 1.00 32.11 H new ATOM 0 HG23 THR D 5 -14.938 -3.778 -53.747 1.00 32.11 H new ATOM 3036 N ALA D 6 -13.008 -6.834 -50.471 1.00 27.16 N ANISOU 3036 N ALA D 6 4118 3376 2824 446 -446 -369 N ATOM 3037 CA ALA D 6 -12.042 -7.331 -49.459 1.00 24.92 C ANISOU 3037 CA ALA D 6 3795 3138 2533 421 -185 -272 C ATOM 3038 C ALA D 6 -10.792 -6.439 -49.401 1.00 23.92 C ANISOU 3038 C ALA D 6 3719 2998 2371 297 73 -119 C ATOM 3039 O ALA D 6 -10.299 -6.130 -48.321 1.00 23.07 O ANISOU 3039 O ALA D 6 3478 2875 2410 322 73 -306 O ATOM 3040 CB ALA D 6 -11.685 -8.806 -49.749 1.00 24.70 C ANISOU 3040 CB ALA D 6 3754 2919 2711 580 -226 -367 C ATOM 0 H ALA D 6 -13.225 -7.393 -51.087 1.00 27.16 H new ATOM 0 HA ALA D 6 -12.457 -7.289 -48.583 1.00 24.92 H new ATOM 0 HB1 ALA D 6 -11.054 -9.123 -49.084 1.00 24.70 H new ATOM 0 HB2 ALA D 6 -12.490 -9.347 -49.714 1.00 24.70 H new ATOM 0 HB3 ALA D 6 -11.287 -8.875 -50.631 1.00 24.70 H new ATOM 3041 N GLN D 7 -10.257 -6.017 -50.552 1.00 25.52 N ANISOU 3041 N GLN D 7 3852 3370 2475 223 153 -209 N ATOM 3042 CA GLN D 7 -9.137 -5.112 -50.580 1.00 26.75 C ANISOU 3042 CA GLN D 7 4010 3412 2740 212 168 -113 C ATOM 3043 C GLN D 7 -9.437 -3.787 -49.935 1.00 25.73 C ANISOU 3043 C GLN D 7 3794 3442 2539 121 237 -105 C ATOM 3044 O GLN D 7 -8.600 -3.239 -49.179 1.00 26.28 O ANISOU 3044 O GLN D 7 4017 3507 2458 -3 407 -92 O ATOM 3045 CB GLN D 7 -8.640 -4.939 -52.023 1.00 27.84 C ANISOU 3045 CB GLN D 7 4221 3507 2847 152 244 -288 C ATOM 3046 CG GLN D 7 -7.795 -6.142 -52.387 1.00 32.83 C ANISOU 3046 CG GLN D 7 4661 3976 3836 271 227 -126 C ATOM 3047 CD GLN D 7 -7.188 -6.014 -53.770 1.00 37.67 C ANISOU 3047 CD GLN D 7 5318 4773 4220 32 391 -215 C ATOM 3048 OE1 GLN D 7 -7.272 -6.948 -54.581 1.00 43.60 O ANISOU 3048 OE1 GLN D 7 5879 5429 5257 176 -89 -485 O ATOM 3049 NE2 GLN D 7 -6.562 -4.867 -54.044 1.00 35.81 N ANISOU 3049 NE2 GLN D 7 4987 4572 4046 200 451 -154 N ATOM 0 H GLN D 7 -10.541 -6.254 -51.328 1.00 25.52 H new ATOM 0 HA GLN D 7 -8.429 -5.508 -50.048 1.00 26.75 H new ATOM 0 HB2 GLN D 7 -9.391 -4.858 -52.631 1.00 27.84 H new ATOM 0 HB3 GLN D 7 -8.120 -4.124 -52.105 1.00 27.84 H new ATOM 0 HG2 GLN D 7 -7.087 -6.248 -51.733 1.00 32.83 H new ATOM 0 HG3 GLN D 7 -8.341 -6.943 -52.347 1.00 32.83 H new ATOM 0 HE21 GLN D 7 -6.527 -4.244 -53.452 1.00 35.81 H new ATOM 0 HE22 GLN D 7 -6.194 -4.751 -54.812 1.00 35.81 H new ATOM 3050 N GLU D 8 -10.666 -3.313 -50.164 1.00 24.51 N ANISOU 3050 N GLU D 8 3776 3243 2293 271 108 -88 N ATOM 3051 CA GLU D 8 -11.071 -2.041 -49.585 1.00 25.49 C ANISOU 3051 CA GLU D 8 4080 3196 2408 189 158 -47 C ATOM 3052 C GLU D 8 -11.241 -2.127 -48.064 1.00 23.64 C ANISOU 3052 C GLU D 8 3764 3030 2188 202 -97 24 C ATOM 3053 O GLU D 8 -10.850 -1.213 -47.360 1.00 24.14 O ANISOU 3053 O GLU D 8 3929 2921 2320 359 98 -103 O ATOM 3054 CB GLU D 8 -12.346 -1.545 -50.234 1.00 27.61 C ANISOU 3054 CB GLU D 8 4316 3632 2539 230 -11 14 C ATOM 3055 CG GLU D 8 -12.052 -0.980 -51.644 1.00 30.34 C ANISOU 3055 CG GLU D 8 4400 3999 3130 -22 285 86 C ATOM 3056 CD GLU D 8 -13.297 -0.651 -52.423 1.00 35.91 C ANISOU 3056 CD GLU D 8 5185 4894 3564 -31 -87 168 C ATOM 3057 OE1 GLU D 8 -14.436 -1.046 -52.024 1.00 34.17 O ANISOU 3057 OE1 GLU D 8 4945 4857 3179 301 -502 542 O ATOM 3058 OE2 GLU D 8 -13.137 0.025 -53.468 1.00 41.55 O ANISOU 3058 OE2 GLU D 8 5902 5525 4360 -140 71 548 O ATOM 0 H GLU D 8 -11.264 -3.706 -50.641 1.00 24.51 H new ATOM 0 HA GLU D 8 -10.360 -1.405 -49.760 1.00 25.49 H new ATOM 0 HB2 GLU D 8 -12.987 -2.271 -50.298 1.00 27.61 H new ATOM 0 HB3 GLU D 8 -12.750 -0.857 -49.682 1.00 27.61 H new ATOM 0 HG2 GLU D 8 -11.510 -0.180 -51.559 1.00 30.34 H new ATOM 0 HG3 GLU D 8 -11.527 -1.626 -52.142 1.00 30.34 H new ATOM 3059 N VAL D 9 -11.741 -3.251 -47.585 1.00 21.74 N ANISOU 3059 N VAL D 9 3249 2730 2279 214 -100 -11 N ATOM 3060 CA VAL D 9 -11.803 -3.525 -46.150 1.00 20.78 C ANISOU 3060 CA VAL D 9 2971 2694 2229 230 0 -103 C ATOM 3061 C VAL D 9 -10.416 -3.524 -45.519 1.00 20.12 C ANISOU 3061 C VAL D 9 2813 2603 2228 269 134 -132 C ATOM 3062 O VAL D 9 -10.166 -2.943 -44.492 1.00 19.88 O ANISOU 3062 O VAL D 9 2936 2468 2147 199 70 -175 O ATOM 3063 CB VAL D 9 -12.573 -4.825 -45.873 1.00 20.06 C ANISOU 3063 CB VAL D 9 2502 2837 2279 226 28 -83 C ATOM 3064 CG1 VAL D 9 -12.386 -5.250 -44.387 1.00 21.61 C ANISOU 3064 CG1 VAL D 9 3098 2858 2253 222 -86 -160 C ATOM 3065 CG2 VAL D 9 -14.029 -4.655 -46.187 1.00 20.77 C ANISOU 3065 CG2 VAL D 9 2477 2994 2420 146 76 -272 C ATOM 0 H VAL D 9 -12.056 -3.881 -48.078 1.00 21.74 H new ATOM 0 HA VAL D 9 -12.297 -2.805 -45.727 1.00 20.78 H new ATOM 0 HB VAL D 9 -12.218 -5.522 -46.446 1.00 20.06 H new ATOM 0 HG11 VAL D 9 -12.875 -6.071 -44.221 1.00 21.61 H new ATOM 0 HG12 VAL D 9 -11.444 -5.394 -44.207 1.00 21.61 H new ATOM 0 HG13 VAL D 9 -12.723 -4.550 -43.805 1.00 21.61 H new ATOM 0 HG21 VAL D 9 -14.498 -5.485 -46.006 1.00 20.77 H new ATOM 0 HG22 VAL D 9 -14.399 -3.948 -45.635 1.00 20.77 H new ATOM 0 HG23 VAL D 9 -14.133 -4.422 -47.123 1.00 20.77 H new ATOM 3066 N GLN D 10 -9.475 -4.194 -46.170 1.00 19.98 N ANISOU 3066 N GLN D 10 2625 2563 2402 218 346 -85 N ATOM 3067 CA GLN D 10 -8.092 -4.161 -45.680 1.00 20.99 C ANISOU 3067 CA GLN D 10 2656 2686 2632 168 283 -182 C ATOM 3068 C GLN D 10 -7.625 -2.711 -45.519 1.00 20.96 C ANISOU 3068 C GLN D 10 2768 2681 2513 364 361 -206 C ATOM 3069 O GLN D 10 -7.037 -2.364 -44.504 1.00 22.59 O ANISOU 3069 O GLN D 10 3149 2821 2612 136 428 -242 O ATOM 3070 CB GLN D 10 -7.137 -4.956 -46.595 1.00 24.12 C ANISOU 3070 CB GLN D 10 3453 2827 2881 243 348 -274 C ATOM 3071 CG GLN D 10 -7.295 -6.430 -46.434 1.00 25.76 C ANISOU 3071 CG GLN D 10 3482 3013 3292 251 128 -360 C ATOM 3072 CD GLN D 10 -6.129 -7.168 -47.024 1.00 30.07 C ANISOU 3072 CD GLN D 10 4175 3717 3532 187 300 -285 C ATOM 3073 OE1 GLN D 10 -5.725 -6.872 -48.139 1.00 30.74 O ANISOU 3073 OE1 GLN D 10 4134 3877 3668 -159 954 -430 O ATOM 3074 NE2 GLN D 10 -5.587 -8.165 -46.280 1.00 30.43 N ANISOU 3074 NE2 GLN D 10 4714 3248 3598 226 73 -313 N ATOM 0 H GLN D 10 -9.604 -4.664 -46.879 1.00 19.98 H new ATOM 0 HA GLN D 10 -8.072 -4.593 -44.812 1.00 20.99 H new ATOM 0 HB2 GLN D 10 -7.302 -4.714 -47.520 1.00 24.12 H new ATOM 0 HB3 GLN D 10 -6.221 -4.707 -46.396 1.00 24.12 H new ATOM 0 HG2 GLN D 10 -7.376 -6.648 -45.492 1.00 25.76 H new ATOM 0 HG3 GLN D 10 -8.115 -6.719 -46.864 1.00 25.76 H new ATOM 0 HE21 GLN D 10 -5.903 -8.340 -45.499 1.00 30.43 H new ATOM 0 HE22 GLN D 10 -4.927 -8.622 -46.589 1.00 30.43 H new ATOM 3075 N GLY D 11 -7.821 -1.905 -46.540 1.00 20.69 N ANISOU 3075 N GLY D 11 2832 2728 2300 126 526 -122 N ATOM 3076 CA GLY D 11 -7.428 -0.529 -46.494 1.00 21.80 C ANISOU 3076 CA GLY D 11 3161 2704 2418 194 435 -90 C ATOM 3077 C GLY D 11 -8.104 0.259 -45.414 1.00 20.93 C ANISOU 3077 C GLY D 11 2901 2762 2288 144 420 42 C ATOM 3078 O GLY D 11 -7.477 1.038 -44.691 1.00 22.01 O ANISOU 3078 O GLY D 11 2927 2843 2592 -28 539 1 O ATOM 0 H GLY D 11 -8.187 -2.146 -47.280 1.00 20.69 H new ATOM 0 HA2 GLY D 11 -6.468 -0.480 -46.365 1.00 21.80 H new ATOM 0 HA3 GLY D 11 -7.621 -0.118 -47.351 1.00 21.80 H new ATOM 3079 N LEU D 12 -9.400 0.035 -45.289 1.00 18.62 N ANISOU 3079 N LEU D 12 2546 2401 2125 138 247 54 N ATOM 3080 CA LEU D 12 -10.170 0.814 -44.259 1.00 18.81 C ANISOU 3080 CA LEU D 12 2526 2484 2135 226 190 -14 C ATOM 3081 C LEU D 12 -9.760 0.441 -42.856 1.00 17.15 C ANISOU 3081 C LEU D 12 2147 2266 2103 180 9 38 C ATOM 3082 O LEU D 12 -9.619 1.317 -41.965 1.00 18.00 O ANISOU 3082 O LEU D 12 2336 2301 2199 203 81 -80 O ATOM 3083 CB LEU D 12 -11.686 0.643 -44.409 1.00 18.98 C ANISOU 3083 CB LEU D 12 2550 2508 2153 403 -116 88 C ATOM 3084 CG LEU D 12 -12.274 1.272 -45.670 1.00 21.69 C ANISOU 3084 CG LEU D 12 3080 2672 2486 184 2 -10 C ATOM 3085 CD1 LEU D 12 -13.601 0.624 -46.040 1.00 23.43 C ANISOU 3085 CD1 LEU D 12 2801 3194 2905 239 -482 -9 C ATOM 3086 CD2 LEU D 12 -12.465 2.743 -45.420 1.00 24.43 C ANISOU 3086 CD2 LEU D 12 3818 2692 2769 471 -177 135 C ATOM 0 H LEU D 12 -9.857 -0.528 -45.752 1.00 18.62 H new ATOM 0 HA LEU D 12 -9.952 1.746 -44.415 1.00 18.81 H new ATOM 0 HB2 LEU D 12 -11.895 -0.304 -44.407 1.00 18.98 H new ATOM 0 HB3 LEU D 12 -12.122 1.031 -43.634 1.00 18.98 H new ATOM 0 HG LEU D 12 -11.666 1.133 -46.413 1.00 21.69 H new ATOM 0 HD11 LEU D 12 -13.952 1.041 -46.842 1.00 23.43 H new ATOM 0 HD12 LEU D 12 -13.465 -0.323 -46.201 1.00 23.43 H new ATOM 0 HD13 LEU D 12 -14.232 0.741 -45.313 1.00 23.43 H new ATOM 0 HD21 LEU D 12 -12.839 3.160 -46.212 1.00 24.43 H new ATOM 0 HD22 LEU D 12 -13.071 2.868 -44.673 1.00 24.43 H new ATOM 0 HD23 LEU D 12 -11.609 3.150 -45.214 1.00 24.43 H new ATOM 3087 N AMET D 13 -9.563 -0.841 -42.608 0.70 15.84 N ANISOU 3087 N AMET D 13 1632 2238 2146 234 -58 -90 N ATOM 3088 N BMET D 13 -9.609 -0.863 -42.654 0.30 16.82 N ANISOU 3088 N BMET D 13 1887 2287 2215 147 -2 -20 N ATOM 3089 CA AMET D 13 -9.224 -1.213 -41.234 0.70 15.97 C ANISOU 3089 CA AMET D 13 1546 2222 2300 166 -84 64 C ATOM 3090 CA BMET D 13 -9.200 -1.407 -41.367 0.30 16.64 C ANISOU 3090 CA BMET D 13 1734 2297 2289 89 17 53 C ATOM 3091 C AMET D 13 -7.774 -0.842 -40.895 0.70 15.18 C ANISOU 3091 C AMET D 13 1305 2268 2194 173 168 4 C ATOM 3092 C BMET D 13 -7.834 -0.825 -40.967 0.30 16.48 C ANISOU 3092 C BMET D 13 1705 2281 2274 95 94 0 C ATOM 3093 O AMET D 13 -7.485 -0.462 -39.759 0.70 15.87 O ANISOU 3093 O AMET D 13 1314 2236 2479 148 346 2 O ATOM 3094 O BMET D 13 -7.655 -0.300 -39.870 0.30 16.14 O ANISOU 3094 O BMET D 13 1576 2158 2396 169 39 -2 O ATOM 3095 CB AMET D 13 -9.472 -2.710 -41.056 0.70 15.81 C ANISOU 3095 CB AMET D 13 1457 2212 2337 169 -236 -6 C ATOM 3096 CB BMET D 13 -9.156 -2.941 -41.457 0.30 15.14 C ANISOU 3096 CB BMET D 13 1449 2181 2119 -39 -40 52 C ATOM 3097 CG AMET D 13 -10.967 -3.019 -41.148 0.70 17.11 C ANISOU 3097 CG AMET D 13 1389 2209 2901 237 -209 -234 C ATOM 3098 CG BMET D 13 -10.531 -3.600 -41.565 0.30 17.69 C ANISOU 3098 CG BMET D 13 1732 2480 2507 21 35 -42 C ATOM 3099 SD AMET D 13 -11.472 -4.749 -40.898 0.70 16.29 S ANISOU 3099 SD AMET D 13 1610 2284 2292 18 -228 -93 S ATOM 3100 SD BMET D 13 -11.503 -3.450 -40.080 0.30 18.40 S ANISOU 3100 SD BMET D 13 1053 3263 2671 27 -161 189 S ATOM 3101 CE AMET D 13 -11.039 -4.944 -39.146 0.70 17.09 C ANISOU 3101 CE AMET D 13 1747 2242 2502 114 -175 -31 C ATOM 3102 CE BMET D 13 -11.013 -4.779 -38.981 0.30 18.13 C ANISOU 3102 CE BMET D 13 1680 2702 2503 -199 70 5 C ATOM 0 H AMET D 13 -9.615 -1.483 -43.178 0.70 16.82 H new ATOM 0 H BMET D 13 -9.741 -1.458 -43.261 0.30 16.82 H new ATOM 0 HA AMET D 13 -9.787 -0.718 -40.619 0.70 16.64 H new ATOM 0 HA BMET D 13 -9.840 -1.160 -40.681 0.30 16.64 H new ATOM 0 HB2AMET D 13 -8.991 -3.206 -41.737 0.70 15.14 H new ATOM 0 HB2BMET D 13 -8.625 -3.195 -42.228 0.30 15.14 H new ATOM 0 HB3AMET D 13 -9.128 -3.001 -40.197 0.70 15.14 H new ATOM 0 HB3BMET D 13 -8.702 -3.288 -40.673 0.30 15.14 H new ATOM 0 HG2AMET D 13 -11.428 -2.473 -40.492 0.70 17.69 H new ATOM 0 HG2BMET D 13 -11.017 -3.201 -42.304 0.30 17.69 H new ATOM 0 HG3AMET D 13 -11.279 -2.737 -42.022 0.70 17.69 H new ATOM 0 HG3BMET D 13 -10.417 -4.540 -41.776 0.30 17.69 H new ATOM 0 HE1AMET D 13 -11.572 -5.656 -38.758 0.70 18.13 H new ATOM 0 HE1BMET D 13 -11.721 -5.441 -38.938 0.30 18.13 H new ATOM 0 HE2AMET D 13 -10.098 -5.166 -39.068 0.70 18.13 H new ATOM 0 HE2BMET D 13 -10.203 -5.194 -39.316 0.30 18.13 H new ATOM 0 HE3AMET D 13 -11.216 -4.115 -38.675 0.70 18.13 H new ATOM 0 HE3BMET D 13 -10.850 -4.422 -38.094 0.30 18.13 H new ATOM 3103 N ALA D 14 -6.891 -0.866 -41.896 1.00 17.98 N ANISOU 3103 N ALA D 14 2023 2321 2486 119 210 -17 N ATOM 3104 CA ALA D 14 -5.588 -0.309 -41.666 1.00 18.81 C ANISOU 3104 CA ALA D 14 1950 2412 2783 123 169 -160 C ATOM 3105 C ALA D 14 -5.569 1.192 -41.409 1.00 18.62 C ANISOU 3105 C ALA D 14 1987 2485 2603 51 324 -147 C ATOM 3106 O ALA D 14 -4.846 1.652 -40.514 1.00 20.18 O ANISOU 3106 O ALA D 14 2060 2518 3090 -122 241 -257 O ATOM 3107 CB ALA D 14 -4.607 -0.705 -42.817 1.00 20.61 C ANISOU 3107 CB ALA D 14 2291 2750 2788 -28 253 -259 C ATOM 0 H AALA D 14 -7.030 -1.189 -42.681 0.70 17.98 H new ATOM 0 H BALA D 14 -6.996 -1.219 -42.673 0.30 17.98 H new ATOM 0 HA ALA D 14 -5.282 -0.703 -40.834 1.00 18.81 H new ATOM 0 HB1 ALA D 14 -3.733 -0.320 -42.645 1.00 20.61 H new ATOM 0 HB2 ALA D 14 -4.532 -1.671 -42.860 1.00 20.61 H new ATOM 0 HB3 ALA D 14 -4.946 -0.370 -43.661 1.00 20.61 H new ATOM 3108 N ARG D 15 -6.421 1.924 -42.100 1.00 17.64 N ANISOU 3108 N ARG D 15 1869 2297 2535 159 455 -164 N ATOM 3109 CA ARG D 15 -6.578 3.331 -41.880 1.00 19.56 C ANISOU 3109 CA ARG D 15 2641 2288 2500 -14 336 13 C ATOM 3110 C ARG D 15 -7.060 3.561 -40.445 1.00 18.30 C ANISOU 3110 C ARG D 15 2248 2237 2465 70 370 -108 C ATOM 3111 O ARG D 15 -6.589 4.464 -39.764 1.00 19.12 O ANISOU 3111 O ARG D 15 2362 2132 2771 -64 431 -120 O ATOM 3112 CB ARG D 15 -7.653 3.899 -42.866 1.00 21.10 C ANISOU 3112 CB ARG D 15 2768 2613 2633 196 222 -56 C ATOM 3113 CG ARG D 15 -7.996 5.417 -42.531 1.00 25.28 C ANISOU 3113 CG ARG D 15 3533 2763 3309 110 546 -155 C ATOM 3114 CD ARG D 15 -7.864 6.349 -43.724 1.00 30.09 C ANISOU 3114 CD ARG D 15 4619 3018 3796 321 -129 3 C ATOM 3115 NE ARG D 15 -8.005 7.801 -43.370 1.00 30.15 N ANISOU 3115 NE ARG D 15 4365 3427 3664 456 -282 -399 N ATOM 3116 CZ ARG D 15 -9.187 8.320 -43.036 1.00 30.28 C ANISOU 3116 CZ ARG D 15 3980 3701 3823 -23 -127 -240 C ATOM 3117 NH1 ARG D 15 -10.248 7.521 -43.038 1.00 32.38 N ANISOU 3117 NH1 ARG D 15 4453 3928 3919 -381 -481 58 N ATOM 3118 NH2 ARG D 15 -9.344 9.592 -42.696 1.00 27.92 N ANISOU 3118 NH2 ARG D 15 3415 3481 3712 -169 -578 -13 N ATOM 0 H ARG D 15 -6.929 1.607 -42.717 1.00 17.64 H new ATOM 0 HA ARG D 15 -5.729 3.777 -42.026 1.00 19.56 H new ATOM 0 HB2 ARG D 15 -7.327 3.832 -43.777 1.00 21.10 H new ATOM 0 HB3 ARG D 15 -8.460 3.363 -42.813 1.00 21.10 H new ATOM 0 HG2 ARG D 15 -8.902 5.468 -42.189 1.00 25.28 H new ATOM 0 HG3 ARG D 15 -7.408 5.725 -41.823 1.00 25.28 H new ATOM 0 HD2 ARG D 15 -7.000 6.208 -44.141 1.00 30.09 H new ATOM 0 HD3 ARG D 15 -8.538 6.117 -44.382 1.00 30.09 H new ATOM 0 HE ARG D 15 -7.310 8.308 -43.383 1.00 30.15 H new ATOM 0 HH11 ARG D 15 -10.162 6.692 -43.251 1.00 32.38 H new ATOM 0 HH12 ARG D 15 -11.021 7.832 -42.826 1.00 32.38 H new ATOM 0 HH21 ARG D 15 -8.666 10.121 -42.684 1.00 27.92 H new ATOM 0 HH22 ARG D 15 -10.124 9.888 -42.487 1.00 27.92 H new ATOM 3119 N TYR D 16 -8.069 2.784 -40.002 1.00 16.44 N ANISOU 3119 N TYR D 16 1656 2346 2242 4 197 27 N ATOM 3120 CA TYR D 16 -8.525 2.910 -38.636 1.00 16.04 C ANISOU 3120 CA TYR D 16 1720 2129 2246 -65 156 42 C ATOM 3121 C TYR D 16 -7.420 2.830 -37.621 1.00 15.87 C ANISOU 3121 C TYR D 16 1508 2105 2416 -194 315 -122 C ATOM 3122 O TYR D 16 -7.283 3.676 -36.734 1.00 15.79 O ANISOU 3122 O TYR D 16 1423 1874 2702 -153 344 -166 O ATOM 3123 CB TYR D 16 -9.568 1.838 -38.363 1.00 15.83 C ANISOU 3123 CB TYR D 16 1408 2235 2369 -220 326 22 C ATOM 3124 CG TYR D 16 -10.031 1.782 -36.912 1.00 14.96 C ANISOU 3124 CG TYR D 16 1235 2114 2334 -166 226 -178 C ATOM 3125 CD1 TYR D 16 -11.041 2.600 -36.395 1.00 16.65 C ANISOU 3125 CD1 TYR D 16 1323 2347 2653 20 207 -65 C ATOM 3126 CD2 TYR D 16 -9.427 0.894 -36.010 1.00 16.01 C ANISOU 3126 CD2 TYR D 16 1520 2193 2370 -324 164 -24 C ATOM 3127 CE1 TYR D 16 -11.347 2.535 -35.061 1.00 16.96 C ANISOU 3127 CE1 TYR D 16 1395 2407 2639 -10 244 41 C ATOM 3128 CE2 TYR D 16 -9.779 0.831 -34.694 1.00 16.45 C ANISOU 3128 CE2 TYR D 16 1136 2311 2803 -166 312 71 C ATOM 3129 CZ TYR D 16 -10.768 1.649 -34.219 1.00 15.98 C ANISOU 3129 CZ TYR D 16 1081 2265 2724 100 420 -16 C ATOM 3130 OH TYR D 16 -11.041 1.571 -32.863 1.00 18.45 O ANISOU 3130 OH TYR D 16 1965 2491 2551 -11 187 -16 O ATOM 0 H TYR D 16 -8.483 2.197 -40.475 1.00 16.44 H new ATOM 0 HA TYR D 16 -8.908 3.796 -38.542 1.00 16.04 H new ATOM 0 HB2 TYR D 16 -10.337 1.995 -38.933 1.00 15.83 H new ATOM 0 HB3 TYR D 16 -9.203 0.974 -38.610 1.00 15.83 H new ATOM 0 HD1 TYR D 16 -11.502 3.184 -36.953 1.00 16.65 H new ATOM 0 HD2 TYR D 16 -8.760 0.326 -36.322 1.00 16.01 H new ATOM 0 HE1 TYR D 16 -11.980 3.125 -34.720 1.00 16.96 H new ATOM 0 HE2 TYR D 16 -9.350 0.236 -34.123 1.00 16.45 H new ATOM 0 HH TYR D 16 -10.591 0.949 -32.522 1.00 18.45 H new ATOM 3131 N ILE D 17 -6.523 1.838 -37.797 1.00 16.28 N ANISOU 3131 N ILE D 17 1754 1974 2457 36 30 -44 N ATOM 3132 CA ILE D 17 -5.455 1.747 -36.857 1.00 16.46 C ANISOU 3132 CA ILE D 17 1358 1977 2918 33 54 -137 C ATOM 3133 C ILE D 17 -4.475 2.954 -36.922 1.00 16.64 C ANISOU 3133 C ILE D 17 1381 2243 2699 -94 299 -140 C ATOM 3134 O ILE D 17 -4.022 3.403 -35.889 1.00 18.57 O ANISOU 3134 O ILE D 17 1606 2336 3112 -253 382 -315 O ATOM 3135 CB ILE D 17 -4.628 0.422 -37.069 1.00 17.75 C ANISOU 3135 CB ILE D 17 1283 2215 3245 -25 -129 -271 C ATOM 3136 CG1 ILE D 17 -5.560 -0.776 -36.813 1.00 19.54 C ANISOU 3136 CG1 ILE D 17 2081 2073 3270 -242 89 -241 C ATOM 3137 CG2 ILE D 17 -3.327 0.427 -36.274 1.00 19.16 C ANISOU 3137 CG2 ILE D 17 1193 2461 3623 294 -229 -105 C ATOM 3138 CD1 ILE D 17 -5.886 -0.895 -35.337 1.00 23.14 C ANISOU 3138 CD1 ILE D 17 2683 2959 3147 -486 -280 -31 C ATOM 0 H ILE D 17 -6.532 1.251 -38.425 1.00 16.28 H new ATOM 0 HA ILE D 17 -5.878 1.748 -35.984 1.00 16.46 H new ATOM 0 HB ILE D 17 -4.319 0.349 -37.986 1.00 17.75 H new ATOM 0 HG12 ILE D 17 -6.379 -0.670 -37.322 1.00 19.54 H new ATOM 0 HG13 ILE D 17 -5.138 -1.592 -37.123 1.00 19.54 H new ATOM 0 HG21 ILE D 17 -2.849 -0.402 -36.431 1.00 19.16 H new ATOM 0 HG22 ILE D 17 -2.778 1.175 -36.557 1.00 19.16 H new ATOM 0 HG23 ILE D 17 -3.526 0.512 -35.328 1.00 19.16 H new ATOM 0 HD11 ILE D 17 -6.473 -1.654 -35.195 1.00 23.14 H new ATOM 0 HD12 ILE D 17 -5.067 -1.022 -34.834 1.00 23.14 H new ATOM 0 HD13 ILE D 17 -6.327 -0.085 -35.036 1.00 23.14 H new ATOM 3139 N GLU D 18 -4.194 3.442 -38.124 1.00 18.83 N ANISOU 3139 N GLU D 18 1998 2090 3064 -118 302 -63 N ATOM 3140 CA GLU D 18 -3.364 4.645 -38.249 1.00 18.68 C ANISOU 3140 CA GLU D 18 1540 2432 3124 -68 431 -48 C ATOM 3141 C GLU D 18 -4.021 5.844 -37.534 1.00 19.26 C ANISOU 3141 C GLU D 18 1852 2236 3228 -25 394 -66 C ATOM 3142 O GLU D 18 -3.340 6.627 -36.859 1.00 19.64 O ANISOU 3142 O GLU D 18 1585 2349 3525 -190 371 0 O ATOM 3143 CB GLU D 18 -3.222 4.958 -39.715 1.00 21.41 C ANISOU 3143 CB GLU D 18 2115 2739 3277 -73 562 91 C ATOM 3144 CG GLU D 18 -2.108 4.172 -40.378 1.00 27.36 C ANISOU 3144 CG GLU D 18 2702 3797 3896 379 352 -348 C ATOM 3145 CD GLU D 18 -0.833 4.001 -39.541 1.00 34.23 C ANISOU 3145 CD GLU D 18 3976 4484 4546 63 -67 -119 C ATOM 3146 OE1 GLU D 18 -0.599 2.868 -39.114 1.00 32.29 O ANISOU 3146 OE1 GLU D 18 3010 4662 4595 360 -8 218 O ATOM 3147 OE2 GLU D 18 -0.058 4.986 -39.334 1.00 38.90 O ANISOU 3147 OE2 GLU D 18 4131 5338 5308 -574 81 -108 O ATOM 0 H GLU D 18 -4.465 3.104 -38.867 1.00 18.83 H new ATOM 0 HA GLU D 18 -2.499 4.486 -37.839 1.00 18.68 H new ATOM 0 HB2 GLU D 18 -4.060 4.766 -40.165 1.00 21.41 H new ATOM 0 HB3 GLU D 18 -3.052 5.907 -39.824 1.00 21.41 H new ATOM 0 HG2 GLU D 18 -2.446 3.292 -40.608 1.00 27.36 H new ATOM 0 HG3 GLU D 18 -1.874 4.612 -41.210 1.00 27.36 H new ATOM 3148 N LEU D 19 -5.371 5.966 -37.587 1.00 18.06 N ANISOU 3148 N LEU D 19 1662 2147 3050 -53 387 32 N ATOM 3149 CA LEU D 19 -6.074 7.091 -36.931 1.00 18.30 C ANISOU 3149 CA LEU D 19 1597 2127 3228 -215 268 -173 C ATOM 3150 C LEU D 19 -6.047 6.915 -35.430 1.00 16.53 C ANISOU 3150 C LEU D 19 1359 2025 2894 -195 60 -77 C ATOM 3151 O LEU D 19 -5.884 7.890 -34.660 1.00 19.16 O ANISOU 3151 O LEU D 19 2038 1930 3309 -543 89 -242 O ATOM 3152 CB LEU D 19 -7.504 7.276 -37.422 1.00 17.34 C ANISOU 3152 CB LEU D 19 1436 1929 3221 -217 196 -42 C ATOM 3153 CG LEU D 19 -7.588 7.525 -38.928 1.00 18.30 C ANISOU 3153 CG LEU D 19 1618 2161 3174 -30 220 -138 C ATOM 3154 CD1 LEU D 19 -9.083 7.599 -39.251 1.00 18.08 C ANISOU 3154 CD1 LEU D 19 1233 2348 3286 89 294 -170 C ATOM 3155 CD2 LEU D 19 -6.890 8.840 -39.271 1.00 21.56 C ANISOU 3155 CD2 LEU D 19 2293 2268 3630 -171 176 123 C ATOM 0 H LEU D 19 -5.888 5.412 -37.994 1.00 18.06 H new ATOM 0 HA LEU D 19 -5.597 7.900 -37.174 1.00 18.30 H new ATOM 0 HB2 LEU D 19 -8.022 6.487 -37.200 1.00 17.34 H new ATOM 0 HB3 LEU D 19 -7.908 8.022 -36.952 1.00 17.34 H new ATOM 0 HG LEU D 19 -7.153 6.827 -39.442 1.00 18.30 H new ATOM 0 HD11 LEU D 19 -9.202 7.757 -40.201 1.00 18.08 H new ATOM 0 HD12 LEU D 19 -9.509 6.762 -39.007 1.00 18.08 H new ATOM 0 HD13 LEU D 19 -9.487 8.325 -38.750 1.00 18.08 H new ATOM 0 HD21 LEU D 19 -6.945 8.996 -40.227 1.00 21.56 H new ATOM 0 HD22 LEU D 19 -7.323 9.569 -38.800 1.00 21.56 H new ATOM 0 HD23 LEU D 19 -5.959 8.791 -39.004 1.00 21.56 H new ATOM 3156 N VAL D 20 -6.213 5.680 -34.951 1.00 16.57 N ANISOU 3156 N VAL D 20 1345 1972 2979 -262 46 -47 N ATOM 3157 CA VAL D 20 -6.068 5.475 -33.516 1.00 18.13 C ANISOU 3157 CA VAL D 20 1866 2045 2975 -439 13 -204 C ATOM 3158 C VAL D 20 -4.619 5.806 -33.079 1.00 18.84 C ANISOU 3158 C VAL D 20 2043 2177 2938 -302 76 -271 C ATOM 3159 O VAL D 20 -4.403 6.442 -32.025 1.00 21.55 O ANISOU 3159 O VAL D 20 2196 2581 3410 -537 -64 -380 O ATOM 3160 CB VAL D 20 -6.452 4.029 -33.147 1.00 19.55 C ANISOU 3160 CB VAL D 20 2270 2264 2893 -326 295 83 C ATOM 3161 CG1 VAL D 20 -6.162 3.740 -31.722 1.00 20.13 C ANISOU 3161 CG1 VAL D 20 2128 2487 3031 -528 -78 -185 C ATOM 3162 CG2 VAL D 20 -7.916 3.804 -33.443 1.00 20.80 C ANISOU 3162 CG2 VAL D 20 2623 2212 3067 -628 189 -335 C ATOM 0 H VAL D 20 -6.401 4.981 -35.416 1.00 16.57 H new ATOM 0 HA VAL D 20 -6.668 6.072 -33.042 1.00 18.13 H new ATOM 0 HB VAL D 20 -5.917 3.423 -33.683 1.00 19.55 H new ATOM 0 HG11 VAL D 20 -6.413 2.825 -31.519 1.00 20.13 H new ATOM 0 HG12 VAL D 20 -5.214 3.859 -31.554 1.00 20.13 H new ATOM 0 HG13 VAL D 20 -6.669 4.346 -31.159 1.00 20.13 H new ATOM 0 HG21 VAL D 20 -8.157 2.894 -33.211 1.00 20.80 H new ATOM 0 HG22 VAL D 20 -8.451 4.423 -32.921 1.00 20.80 H new ATOM 0 HG23 VAL D 20 -8.082 3.951 -34.387 1.00 20.80 H new ATOM 3163 N ASP D 21 -3.635 5.376 -33.869 1.00 19.45 N ANISOU 3163 N ASP D 21 2007 2293 3087 -330 -65 -155 N ATOM 3164 CA ASP D 21 -2.269 5.598 -33.488 1.00 21.21 C ANISOU 3164 CA ASP D 21 2219 2226 3611 -322 -160 -77 C ATOM 3165 C ASP D 21 -1.948 7.084 -33.361 1.00 22.81 C ANISOU 3165 C ASP D 21 2433 2436 3795 -299 -188 -135 C ATOM 3166 O ASP D 21 -1.170 7.455 -32.469 1.00 26.57 O ANISOU 3166 O ASP D 21 2985 2825 4283 -370 -395 -75 O ATOM 3167 CB ASP D 21 -1.368 4.927 -34.523 1.00 22.04 C ANISOU 3167 CB ASP D 21 2274 2470 3629 -248 25 -128 C ATOM 3168 CG ASP D 21 0.120 5.069 -34.197 1.00 23.88 C ANISOU 3168 CG ASP D 21 2541 2902 3628 -470 40 218 C ATOM 3169 OD1 ASP D 21 0.515 4.599 -33.120 1.00 22.92 O ANISOU 3169 OD1 ASP D 21 1863 2862 3981 -539 -59 29 O ATOM 3170 OD2 ASP D 21 0.906 5.619 -35.046 1.00 28.61 O ANISOU 3170 OD2 ASP D 21 2599 4117 4151 -141 196 244 O ATOM 0 H ASP D 21 -3.747 4.962 -34.614 1.00 19.45 H new ATOM 0 HA ASP D 21 -2.115 5.211 -32.612 1.00 21.21 H new ATOM 0 HB2 ASP D 21 -1.594 3.985 -34.580 1.00 22.04 H new ATOM 0 HB3 ASP D 21 -1.542 5.313 -35.396 1.00 22.04 H new ATOM 3171 N VAL D 22 -2.505 7.925 -34.225 1.00 21.06 N ANISOU 3171 N VAL D 22 1977 2035 3987 -199 -90 -122 N ATOM 3172 CA VAL D 22 -2.170 9.322 -34.099 1.00 23.40 C ANISOU 3172 CA VAL D 22 2216 2394 4281 -244 -115 -180 C ATOM 3173 C VAL D 22 -3.133 10.005 -33.137 1.00 23.72 C ANISOU 3173 C VAL D 22 2296 2312 4403 -202 -145 -256 C ATOM 3174 O VAL D 22 -2.908 11.121 -32.676 1.00 25.46 O ANISOU 3174 O VAL D 22 2295 2400 4976 -414 -443 -477 O ATOM 3175 CB VAL D 22 -2.150 10.095 -35.414 1.00 27.01 C ANISOU 3175 CB VAL D 22 2719 3172 4371 -116 3 -115 C ATOM 3176 CG1 VAL D 22 -0.857 9.891 -36.259 1.00 30.62 C ANISOU 3176 CG1 VAL D 22 2838 3912 4883 -208 -34 -111 C ATOM 3177 CG2 VAL D 22 -3.497 10.142 -36.161 1.00 24.79 C ANISOU 3177 CG2 VAL D 22 2500 2741 4177 -317 14 43 C ATOM 0 H VAL D 22 -3.050 7.717 -34.857 1.00 21.06 H new ATOM 0 HA VAL D 22 -1.261 9.336 -33.760 1.00 23.40 H new ATOM 0 HB VAL D 22 -2.062 11.027 -35.161 1.00 27.01 H new ATOM 0 HG11 VAL D 22 -0.918 10.411 -37.075 1.00 30.62 H new ATOM 0 HG12 VAL D 22 -0.086 10.183 -35.747 1.00 30.62 H new ATOM 0 HG13 VAL D 22 -0.760 8.952 -36.481 1.00 30.62 H new ATOM 0 HG21 VAL D 22 -3.395 10.650 -36.981 1.00 24.79 H new ATOM 0 HG22 VAL D 22 -3.781 9.239 -36.374 1.00 24.79 H new ATOM 0 HG23 VAL D 22 -4.164 10.567 -35.599 1.00 24.79 H new ATOM 3178 N GLY D 23 -4.287 9.397 -32.918 1.00 21.63 N ANISOU 3178 N GLY D 23 1991 2365 3860 -379 -273 -205 N ATOM 3179 CA GLY D 23 -5.233 9.908 -31.951 1.00 21.95 C ANISOU 3179 CA GLY D 23 2184 2383 3771 -135 -342 -332 C ATOM 3180 C GLY D 23 -6.132 10.965 -32.522 1.00 21.18 C ANISOU 3180 C GLY D 23 1930 2469 3647 -307 -331 -312 C ATOM 3181 O GLY D 23 -6.497 11.920 -31.807 1.00 22.56 O ANISOU 3181 O GLY D 23 2207 2471 3893 -256 -171 -637 O ATOM 0 H GLY D 23 -4.540 8.682 -33.323 1.00 21.63 H new ATOM 0 HA2 GLY D 23 -5.774 9.176 -31.615 1.00 21.95 H new ATOM 0 HA3 GLY D 23 -4.750 10.274 -31.194 1.00 21.95 H new ATOM 3182 N ASP D 24 -6.406 10.876 -33.834 1.00 20.01 N ANISOU 3182 N ASP D 24 1628 2499 3476 -593 -152 -172 N ATOM 3183 CA ASP D 24 -7.282 11.869 -34.474 1.00 20.22 C ANISOU 3183 CA ASP D 24 1602 2622 3456 -296 39 -111 C ATOM 3184 C ASP D 24 -8.786 11.479 -34.294 1.00 18.62 C ANISOU 3184 C ASP D 24 1457 2786 2828 -371 -69 -367 C ATOM 3185 O ASP D 24 -9.390 10.738 -35.110 1.00 18.66 O ANISOU 3185 O ASP D 24 1343 2628 3117 -516 68 -270 O ATOM 3186 CB ASP D 24 -6.948 11.991 -35.934 1.00 20.60 C ANISOU 3186 CB ASP D 24 1704 2867 3256 -359 -189 -136 C ATOM 3187 CG ASP D 24 -7.650 13.182 -36.587 1.00 22.59 C ANISOU 3187 CG ASP D 24 2265 2796 3520 -298 18 -303 C ATOM 3188 OD1 ASP D 24 -8.730 13.599 -36.119 1.00 22.16 O ANISOU 3188 OD1 ASP D 24 1638 2791 3987 -413 -16 -353 O ATOM 3189 OD2 ASP D 24 -7.153 13.678 -37.595 1.00 21.86 O ANISOU 3189 OD2 ASP D 24 1418 3189 3697 -708 -280 16 O ATOM 0 H ASP D 24 -6.103 10.265 -34.358 1.00 20.01 H new ATOM 0 HA ASP D 24 -7.136 12.727 -34.045 1.00 20.22 H new ATOM 0 HB2 ASP D 24 -5.988 12.086 -36.038 1.00 20.60 H new ATOM 0 HB3 ASP D 24 -7.204 11.175 -36.392 1.00 20.60 H new ATOM 3190 N ILE D 25 -9.365 11.978 -33.200 1.00 20.47 N ANISOU 3190 N ILE D 25 1551 3022 3203 -448 119 -467 N ATOM 3191 CA AILE D 25 -10.710 11.578 -32.734 0.50 19.40 C ANISOU 3191 CA AILE D 25 1334 2843 3194 -436 41 -395 C ATOM 3192 CA BILE D 25 -10.688 11.527 -32.753 0.50 19.29 C ANISOU 3192 CA BILE D 25 1329 2813 3186 -427 33 -384 C ATOM 3193 C ILE D 25 -11.710 11.853 -33.801 1.00 20.05 C ANISOU 3193 C ILE D 25 1832 2513 3274 -60 98 -433 C ATOM 3194 O ILE D 25 -12.522 11.012 -34.164 1.00 19.65 O ANISOU 3194 O ILE D 25 1538 2452 3473 -531 179 -556 O ATOM 3195 CB AILE D 25 -11.144 12.375 -31.462 0.50 20.51 C ANISOU 3195 CB AILE D 25 1555 2991 3247 -380 -60 -304 C ATOM 3196 CB BILE D 25 -11.065 12.177 -31.409 0.50 20.29 C ANISOU 3196 CB BILE D 25 1510 3002 3197 -400 -93 -287 C ATOM 3197 CG1AILE D 25 -10.086 12.248 -30.355 0.50 23.35 C ANISOU 3197 CG1AILE D 25 2274 3374 3222 -324 -55 -264 C ATOM 3198 CG1BILE D 25 -10.160 11.600 -30.290 0.50 22.32 C ANISOU 3198 CG1BILE D 25 2276 2979 3223 -230 17 -122 C ATOM 3199 CG2AILE D 25 -12.541 11.941 -31.035 0.50 21.29 C ANISOU 3199 CG2AILE D 25 1404 3098 3587 -429 -71 -387 C ATOM 3200 CG2BILE D 25 -12.578 12.101 -31.213 0.50 20.70 C ANISOU 3200 CG2BILE D 25 1361 3051 3452 -446 -57 -328 C ATOM 3201 CD1AILE D 25 -9.724 10.862 -30.028 0.50 25.04 C ANISOU 3201 CD1AILE D 25 2524 3492 3498 -185 -152 -71 C ATOM 3202 CD1BILE D 25 -10.053 12.469 -29.058 0.50 26.93 C ANISOU 3202 CD1BILE D 25 3408 3570 3254 -393 17 -256 C ATOM 0 H AILE D 25 -8.988 12.566 -32.698 0.50 20.47 H new ATOM 0 H BILE D 25 -9.008 12.580 -32.701 0.50 20.47 H new ATOM 0 HA AILE D 25 -10.671 10.633 -32.520 0.50 19.29 H new ATOM 0 HA BILE D 25 -10.663 10.566 -32.621 0.50 19.29 H new ATOM 0 HB AILE D 25 -11.198 13.322 -31.663 0.50 20.29 H new ATOM 0 HB BILE D 25 -10.882 13.129 -31.383 0.50 20.29 H new ATOM 0 HG12AILE D 25 -9.287 12.725 -30.628 0.50 22.32 H new ATOM 0 HG12BILE D 25 -10.502 10.730 -30.030 0.50 22.32 H new ATOM 0 HG13AILE D 25 -10.416 12.684 -29.554 0.50 22.32 H new ATOM 0 HG13BILE D 25 -9.271 11.459 -30.650 0.50 22.32 H new ATOM 0 HG21AILE D 25 -12.807 12.438 -30.245 0.50 20.70 H new ATOM 0 HG21BILE D 25 -12.816 12.510 -30.366 0.50 20.70 H new ATOM 0 HG22AILE D 25 -13.168 12.117 -31.754 0.50 20.70 H new ATOM 0 HG22BILE D 25 -13.022 12.572 -31.935 0.50 20.70 H new ATOM 0 HG23AILE D 25 -12.538 10.992 -30.834 0.50 20.70 H new ATOM 0 HG23BILE D 25 -12.858 11.172 -31.213 0.50 20.70 H new ATOM 0 HD11AILE D 25 -9.055 10.859 -29.325 0.50 26.93 H new ATOM 0 HD11BILE D 25 -9.473 12.041 -28.409 0.50 26.93 H new ATOM 0 HD12AILE D 25 -10.512 10.384 -29.726 0.50 26.93 H new ATOM 0 HD12BILE D 25 -9.683 13.332 -29.302 0.50 26.93 H new ATOM 0 HD13AILE D 25 -9.365 10.426 -30.817 0.50 26.93 H new ATOM 0 HD13BILE D 25 -10.934 12.593 -28.671 0.50 26.93 H new ATOM 3203 N GLU D 26 -11.671 13.032 -34.344 1.00 19.66 N ANISOU 3203 N GLU D 26 1849 2376 3244 -298 112 -294 N ATOM 3204 CA GLU D 26 -12.662 13.431 -35.299 1.00 21.55 C ANISOU 3204 CA GLU D 26 2022 2517 3647 -37 -149 -200 C ATOM 3205 C GLU D 26 -12.550 12.595 -36.582 1.00 19.03 C ANISOU 3205 C GLU D 26 1316 2563 3349 -96 125 -136 C ATOM 3206 O GLU D 26 -13.592 12.202 -37.106 1.00 20.48 O ANISOU 3206 O GLU D 26 1939 2408 3435 -6 -198 -115 O ATOM 3207 CB GLU D 26 -12.577 14.927 -35.573 1.00 22.15 C ANISOU 3207 CB GLU D 26 1820 2723 3870 -426 -173 -272 C ATOM 3208 CG GLU D 26 -12.934 15.737 -34.311 1.00 25.87 C ANISOU 3208 CG GLU D 26 2554 3141 4133 -96 -124 -386 C ATOM 3209 CD GLU D 26 -12.856 17.253 -34.449 1.00 28.56 C ANISOU 3209 CD GLU D 26 3015 3458 4378 168 -127 -295 C ATOM 3210 OE1 GLU D 26 -12.671 17.819 -35.570 1.00 33.46 O ANISOU 3210 OE1 GLU D 26 3769 4141 4800 -76 74 -107 O ATOM 3211 OE2 GLU D 26 -12.985 17.870 -33.359 1.00 34.17 O ANISOU 3211 OE2 GLU D 26 3321 4505 5156 170 0 -809 O ATOM 0 H GLU D 26 -11.073 13.626 -34.174 1.00 19.66 H new ATOM 0 HA GLU D 26 -13.541 13.260 -34.925 1.00 21.55 H new ATOM 0 HB2 GLU D 26 -11.681 15.156 -35.866 1.00 22.15 H new ATOM 0 HB3 GLU D 26 -13.181 15.162 -36.295 1.00 22.15 H new ATOM 0 HG2 GLU D 26 -13.835 15.500 -34.040 1.00 25.87 H new ATOM 0 HG3 GLU D 26 -12.341 15.464 -33.594 1.00 25.87 H new ATOM 3212 N ALA D 27 -11.348 12.241 -37.012 1.00 17.40 N ANISOU 3212 N ALA D 27 1156 2241 3213 -165 227 -148 N ATOM 3213 CA ALA D 27 -11.220 11.402 -38.187 1.00 17.38 C ANISOU 3213 CA ALA D 27 1247 2091 3264 -330 124 -151 C ATOM 3214 C ALA D 27 -11.716 9.957 -37.868 1.00 17.40 C ANISOU 3214 C ALA D 27 1589 2091 2930 -158 110 38 C ATOM 3215 O ALA D 27 -12.283 9.302 -38.739 1.00 17.04 O ANISOU 3215 O ALA D 27 1590 2149 2733 -11 -81 -26 O ATOM 3216 CB ALA D 27 -9.715 11.381 -38.631 1.00 18.42 C ANISOU 3216 CB ALA D 27 1399 2352 3248 -352 108 -58 C ATOM 0 H ALA D 27 -10.606 12.472 -36.644 1.00 17.40 H new ATOM 0 HA ALA D 27 -11.764 11.757 -38.907 1.00 17.38 H new ATOM 0 HB1 ALA D 27 -9.617 10.822 -39.418 1.00 18.42 H new ATOM 0 HB2 ALA D 27 -9.426 12.283 -38.838 1.00 18.42 H new ATOM 0 HB3 ALA D 27 -9.170 11.025 -37.912 1.00 18.42 H new ATOM 3217 N ILE D 28 -11.481 9.492 -36.665 1.00 16.46 N ANISOU 3217 N ILE D 28 1424 2022 2807 -94 68 22 N ATOM 3218 CA ILE D 28 -11.968 8.142 -36.317 1.00 14.90 C ANISOU 3218 CA ILE D 28 674 2224 2760 -89 -77 8 C ATOM 3219 C ILE D 28 -13.447 8.130 -36.399 1.00 14.12 C ANISOU 3219 C ILE D 28 638 1993 2734 10 -179 -67 C ATOM 3220 O ILE D 28 -14.065 7.182 -36.957 1.00 16.03 O ANISOU 3220 O ILE D 28 1389 2071 2627 -329 -132 -193 O ATOM 3221 CB ILE D 28 -11.484 7.724 -34.898 1.00 16.36 C ANISOU 3221 CB ILE D 28 1294 2237 2685 -167 0 158 C ATOM 3222 CG1 ILE D 28 -9.949 7.490 -34.834 1.00 17.60 C ANISOU 3222 CG1 ILE D 28 941 2949 2797 303 388 -251 C ATOM 3223 CG2 ILE D 28 -12.193 6.442 -34.427 1.00 17.11 C ANISOU 3223 CG2 ILE D 28 1458 2215 2826 -173 -80 72 C ATOM 3224 CD1 ILE D 28 -9.415 7.519 -33.414 1.00 20.57 C ANISOU 3224 CD1 ILE D 28 1362 3418 3036 231 218 148 C ATOM 0 H ILE D 28 -11.059 9.909 -36.043 1.00 16.46 H new ATOM 0 HA ILE D 28 -11.606 7.497 -36.945 1.00 14.90 H new ATOM 0 HB ILE D 28 -11.708 8.465 -34.313 1.00 16.36 H new ATOM 0 HG12 ILE D 28 -9.738 6.634 -35.238 1.00 17.60 H new ATOM 0 HG13 ILE D 28 -9.499 8.170 -35.359 1.00 17.60 H new ATOM 0 HG21 ILE D 28 -11.875 6.203 -33.542 1.00 17.11 H new ATOM 0 HG22 ILE D 28 -13.150 6.594 -34.396 1.00 17.11 H new ATOM 0 HG23 ILE D 28 -12.001 5.720 -35.045 1.00 17.11 H new ATOM 0 HD11 ILE D 28 -8.457 7.369 -33.425 1.00 20.57 H new ATOM 0 HD12 ILE D 28 -9.602 8.383 -33.015 1.00 20.57 H new ATOM 0 HD13 ILE D 28 -9.845 6.823 -32.892 1.00 20.57 H new ATOM 3225 N VAL D 29 -14.078 9.126 -35.763 1.00 16.30 N ANISOU 3225 N VAL D 29 1375 2126 2691 17 210 -92 N ATOM 3226 CA VAL D 29 -15.545 9.134 -35.653 1.00 16.41 C ANISOU 3226 CA VAL D 29 1276 2248 2708 72 -193 -100 C ATOM 3227 C VAL D 29 -16.191 9.176 -37.052 1.00 16.17 C ANISOU 3227 C VAL D 29 1365 2072 2704 159 -5 -133 C ATOM 3228 O VAL D 29 -17.193 8.527 -37.315 1.00 17.26 O ANISOU 3228 O VAL D 29 1342 2212 3003 6 -170 -121 O ATOM 3229 CB VAL D 29 -15.932 10.306 -34.764 1.00 17.98 C ANISOU 3229 CB VAL D 29 1210 2872 2749 66 13 -318 C ATOM 3230 CG1 VAL D 29 -17.383 10.531 -34.733 1.00 21.20 C ANISOU 3230 CG1 VAL D 29 1375 3592 3085 144 -117 -308 C ATOM 3231 CG2 VAL D 29 -15.508 10.011 -33.362 1.00 22.22 C ANISOU 3231 CG2 VAL D 29 2325 3051 3066 90 22 -48 C ATOM 0 H VAL D 29 -13.684 9.795 -35.394 1.00 16.30 H new ATOM 0 HA VAL D 29 -15.878 8.320 -35.244 1.00 16.41 H new ATOM 0 HB VAL D 29 -15.497 11.094 -35.127 1.00 17.98 H new ATOM 0 HG11 VAL D 29 -17.581 11.285 -34.156 1.00 21.20 H new ATOM 0 HG12 VAL D 29 -17.701 10.718 -35.630 1.00 21.20 H new ATOM 0 HG13 VAL D 29 -17.826 9.738 -34.392 1.00 21.20 H new ATOM 0 HG21 VAL D 29 -15.751 10.754 -32.787 1.00 22.22 H new ATOM 0 HG22 VAL D 29 -15.950 9.205 -33.053 1.00 22.22 H new ATOM 0 HG23 VAL D 29 -14.547 9.882 -33.335 1.00 22.22 H new ATOM 3232 N GLN D 30 -15.561 9.898 -37.967 1.00 17.25 N ANISOU 3232 N GLN D 30 1721 2135 2698 117 33 104 N ATOM 3233 CA GLN D 30 -16.022 9.984 -39.327 1.00 18.76 C ANISOU 3233 CA GLN D 30 1995 2308 2821 17 -6 69 C ATOM 3234 C GLN D 30 -15.985 8.672 -40.081 1.00 17.71 C ANISOU 3234 C GLN D 30 1772 2269 2687 182 -67 -34 C ATOM 3235 O GLN D 30 -16.695 8.501 -41.090 1.00 20.35 O ANISOU 3235 O GLN D 30 2469 2453 2809 289 -95 -51 O ATOM 3236 CB GLN D 30 -15.230 11.103 -40.104 1.00 21.13 C ANISOU 3236 CB GLN D 30 2472 2507 3047 24 54 325 C ATOM 3237 CG GLN D 30 -15.701 11.341 -41.501 1.00 26.98 C ANISOU 3237 CG GLN D 30 3301 3460 3489 89 22 -4 C ATOM 3238 CD GLN D 30 -17.171 11.740 -41.576 1.00 30.64 C ANISOU 3238 CD GLN D 30 3885 3704 4050 486 -13 -68 C ATOM 3239 OE1 GLN D 30 -17.725 12.390 -40.660 1.00 33.53 O ANISOU 3239 OE1 GLN D 30 4959 3845 3935 291 130 86 O ATOM 3240 NE2 GLN D 30 -17.821 11.348 -42.665 1.00 34.64 N ANISOU 3240 NE2 GLN D 30 4783 4305 4071 -187 -205 -73 N ATOM 0 H GLN D 30 -14.849 10.353 -37.808 1.00 17.25 H new ATOM 0 HA GLN D 30 -16.961 10.224 -39.276 1.00 18.76 H new ATOM 0 HB2 GLN D 30 -15.296 11.933 -39.607 1.00 21.13 H new ATOM 0 HB3 GLN D 30 -14.291 10.861 -40.129 1.00 21.13 H new ATOM 0 HG2 GLN D 30 -15.161 12.039 -41.904 1.00 26.98 H new ATOM 0 HG3 GLN D 30 -15.563 10.536 -42.025 1.00 26.98 H new ATOM 0 HE21 GLN D 30 -17.409 10.903 -43.275 1.00 34.64 H new ATOM 0 HE22 GLN D 30 -18.654 11.539 -42.761 1.00 34.64 H new ATOM 3241 N MET D 31 -15.127 7.741 -39.637 1.00 17.94 N ANISOU 3241 N MET D 31 1798 2141 2876 114 142 19 N ATOM 3242 CA MET D 31 -15.158 6.416 -40.262 1.00 16.47 C ANISOU 3242 CA MET D 31 1063 2281 2911 133 -9 -192 C ATOM 3243 C MET D 31 -16.384 5.612 -39.932 1.00 15.72 C ANISOU 3243 C MET D 31 1212 2174 2586 43 -155 -207 C ATOM 3244 O MET D 31 -16.651 4.631 -40.611 1.00 17.33 O ANISOU 3244 O MET D 31 1751 2212 2617 -7 -182 -86 O ATOM 3245 CB MET D 31 -13.936 5.599 -39.828 1.00 16.78 C ANISOU 3245 CB MET D 31 1265 2254 2855 481 170 -150 C ATOM 3246 CG MET D 31 -12.627 6.095 -40.325 1.00 18.94 C ANISOU 3246 CG MET D 31 1040 2938 3218 44 57 -134 C ATOM 3247 SD MET D 31 -11.283 4.922 -40.264 1.00 20.18 S ANISOU 3247 SD MET D 31 1561 2756 3349 246 -130 -377 S ATOM 3248 CE MET D 31 -11.868 3.759 -41.492 1.00 21.39 C ANISOU 3248 CE MET D 31 2219 2738 3169 388 -292 -363 C ATOM 0 H MET D 31 -14.550 7.849 -39.009 1.00 17.94 H new ATOM 0 HA MET D 31 -15.161 6.584 -41.217 1.00 16.47 H new ATOM 0 HB2 MET D 31 -13.909 5.576 -38.859 1.00 16.78 H new ATOM 0 HB3 MET D 31 -14.054 4.685 -40.130 1.00 16.78 H new ATOM 0 HG2 MET D 31 -12.738 6.388 -41.243 1.00 18.94 H new ATOM 0 HG3 MET D 31 -12.377 6.876 -39.806 1.00 18.94 H new ATOM 0 HE1 MET D 31 -11.150 3.553 -42.111 1.00 21.39 H new ATOM 0 HE2 MET D 31 -12.160 2.945 -41.053 1.00 21.39 H new ATOM 0 HE3 MET D 31 -12.611 4.148 -41.979 1.00 21.39 H new ATOM 3249 N TYR D 32 -17.056 5.998 -38.862 1.00 17.65 N ANISOU 3249 N TYR D 32 1693 2235 2776 42 193 104 N ATOM 3250 CA TYR D 32 -18.196 5.284 -38.450 1.00 16.67 C ANISOU 3250 CA TYR D 32 1398 2224 2709 110 -40 -104 C ATOM 3251 C TYR D 32 -19.484 5.823 -39.089 1.00 17.65 C ANISOU 3251 C TYR D 32 1552 2232 2922 192 -4 -144 C ATOM 3252 O TYR D 32 -19.606 7.018 -39.373 1.00 19.56 O ANISOU 3252 O TYR D 32 2318 2089 3024 149 -180 -184 O ATOM 3253 CB TYR D 32 -18.424 5.384 -36.921 1.00 17.12 C ANISOU 3253 CB TYR D 32 1572 2250 2680 195 217 -56 C ATOM 3254 CG TYR D 32 -17.533 4.539 -36.112 1.00 16.58 C ANISOU 3254 CG TYR D 32 1805 2055 2439 160 -84 -157 C ATOM 3255 CD1 TYR D 32 -17.895 3.245 -35.788 1.00 17.12 C ANISOU 3255 CD1 TYR D 32 1839 2335 2331 165 145 -10 C ATOM 3256 CD2 TYR D 32 -16.315 5.015 -35.703 1.00 17.28 C ANISOU 3256 CD2 TYR D 32 1471 2317 2775 109 256 -212 C ATOM 3257 CE1 TYR D 32 -17.080 2.437 -35.071 1.00 15.12 C ANISOU 3257 CE1 TYR D 32 948 2261 2534 -3 -154 -125 C ATOM 3258 CE2 TYR D 32 -15.442 4.171 -35.000 1.00 17.80 C ANISOU 3258 CE2 TYR D 32 1484 2257 3019 214 208 -206 C ATOM 3259 CZ TYR D 32 -15.840 2.894 -34.643 1.00 17.18 C ANISOU 3259 CZ TYR D 32 1425 2415 2686 260 -175 -244 C ATOM 3260 OH TYR D 32 -15.006 2.020 -33.888 1.00 18.24 O ANISOU 3260 OH TYR D 32 1293 2701 2935 213 -78 -99 O ATOM 0 H TYR D 32 -16.852 6.675 -38.373 1.00 17.65 H new ATOM 0 HA TYR D 32 -18.022 4.370 -38.725 1.00 16.67 H new ATOM 0 HB2 TYR D 32 -18.309 6.308 -36.649 1.00 17.12 H new ATOM 0 HB3 TYR D 32 -19.343 5.143 -36.727 1.00 17.12 H new ATOM 0 HD1 TYR D 32 -18.720 2.921 -36.070 1.00 17.12 H new ATOM 0 HD2 TYR D 32 -16.068 5.892 -35.890 1.00 17.28 H new ATOM 0 HE1 TYR D 32 -17.351 1.572 -34.864 1.00 15.12 H new ATOM 0 HE2 TYR D 32 -14.592 4.471 -34.773 1.00 17.80 H new ATOM 0 HH TYR D 32 -14.479 2.473 -33.417 1.00 18.24 H new ATOM 3261 N ALA D 33 -20.483 4.936 -39.343 1.00 16.72 N ANISOU 3261 N ALA D 33 1147 2325 2879 228 105 -264 N ATOM 3262 CA ALA D 33 -21.803 5.397 -39.742 1.00 18.43 C ANISOU 3262 CA ALA D 33 1506 2394 3100 348 -58 -288 C ATOM 3263 C ALA D 33 -22.363 6.311 -38.650 1.00 18.42 C ANISOU 3263 C ALA D 33 1638 2469 2891 424 -152 -251 C ATOM 3264 O ALA D 33 -22.014 6.175 -37.485 1.00 17.69 O ANISOU 3264 O ALA D 33 1365 2492 2863 553 71 -275 O ATOM 3265 CB ALA D 33 -22.694 4.180 -39.912 1.00 20.29 C ANISOU 3265 CB ALA D 33 1794 2618 3297 0 -169 -365 C ATOM 0 H ALA D 33 -20.401 4.082 -39.286 1.00 16.72 H new ATOM 0 HA ALA D 33 -21.760 5.893 -40.575 1.00 18.43 H new ATOM 0 HB1 ALA D 33 -23.582 4.464 -40.179 1.00 20.29 H new ATOM 0 HB2 ALA D 33 -22.322 3.599 -40.594 1.00 20.29 H new ATOM 0 HB3 ALA D 33 -22.748 3.698 -39.072 1.00 20.29 H new ATOM 3266 N ASP D 34 -23.257 7.238 -39.012 1.00 18.87 N ANISOU 3266 N ASP D 34 1662 2543 2962 506 -113 -219 N ATOM 3267 CA ASP D 34 -23.730 8.178 -38.002 1.00 20.86 C ANISOU 3267 CA ASP D 34 2150 2592 3182 703 -170 -213 C ATOM 3268 C ASP D 34 -24.396 7.502 -36.811 1.00 19.41 C ANISOU 3268 C ASP D 34 1388 2698 3287 459 -33 -324 C ATOM 3269 O ASP D 34 -24.364 8.034 -35.695 1.00 19.68 O ANISOU 3269 O ASP D 34 1245 2870 3362 518 -180 -281 O ATOM 3270 CB ASP D 34 -24.717 9.218 -38.598 1.00 23.24 C ANISOU 3270 CB ASP D 34 2178 3123 3529 480 -390 -92 C ATOM 3271 CG ASP D 34 -25.925 8.583 -39.168 1.00 24.13 C ANISOU 3271 CG ASP D 34 2574 3236 3358 383 -277 -167 C ATOM 3272 OD1 ASP D 34 -25.887 8.243 -40.362 1.00 29.05 O ANISOU 3272 OD1 ASP D 34 3013 4102 3922 625 -219 -452 O ATOM 3273 OD2 ASP D 34 -26.918 8.498 -38.421 1.00 26.84 O ANISOU 3273 OD2 ASP D 34 2680 3766 3751 659 -223 47 O ATOM 0 H ASP D 34 -23.587 7.335 -39.800 1.00 18.87 H new ATOM 0 HA ASP D 34 -22.929 8.626 -37.687 1.00 20.86 H new ATOM 0 HB2 ASP D 34 -24.980 9.845 -37.906 1.00 23.24 H new ATOM 0 HB3 ASP D 34 -24.267 9.730 -39.288 1.00 23.24 H new ATOM 3274 N ASP D 35 -25.008 6.322 -37.053 1.00 18.30 N ANISOU 3274 N ASP D 35 898 2658 3394 550 -213 -98 N ATOM 3275 CA ASP D 35 -25.775 5.571 -36.048 1.00 19.37 C ANISOU 3275 CA ASP D 35 1066 2780 3511 463 -18 48 C ATOM 3276 C ASP D 35 -25.085 4.221 -35.722 1.00 19.76 C ANISOU 3276 C ASP D 35 1447 2755 3306 403 -15 -51 C ATOM 3277 O ASP D 35 -25.746 3.209 -35.377 1.00 21.72 O ANISOU 3277 O ASP D 35 1546 2938 3766 448 67 22 O ATOM 3278 CB ASP D 35 -27.197 5.294 -36.529 1.00 22.13 C ANISOU 3278 CB ASP D 35 1362 3198 3848 76 -192 -218 C ATOM 3279 CG ASP D 35 -27.257 4.436 -37.776 1.00 26.00 C ANISOU 3279 CG ASP D 35 2015 3601 4260 508 -111 -149 C ATOM 3280 OD1 ASP D 35 -26.236 4.258 -38.462 1.00 23.94 O ANISOU 3280 OD1 ASP D 35 972 3815 4309 490 -163 -316 O ATOM 3281 OD2 ASP D 35 -28.351 3.903 -38.083 1.00 29.61 O ANISOU 3281 OD2 ASP D 35 2041 4594 4614 -527 -164 -137 O ATOM 0 H ASP D 35 -24.984 5.935 -37.821 1.00 18.30 H new ATOM 0 HA ASP D 35 -25.810 6.120 -35.249 1.00 19.37 H new ATOM 0 HB2 ASP D 35 -27.691 4.855 -35.819 1.00 22.13 H new ATOM 0 HB3 ASP D 35 -27.642 6.138 -36.704 1.00 22.13 H new ATOM 3282 N ALA D 36 -23.761 4.171 -35.887 1.00 19.79 N ANISOU 3282 N ALA D 36 1597 2715 3205 712 -2 -204 N ATOM 3283 CA ALA D 36 -22.993 2.928 -35.724 1.00 18.49 C ANISOU 3283 CA ALA D 36 1398 2547 3078 482 -83 -124 C ATOM 3284 C ALA D 36 -23.113 2.455 -34.258 1.00 17.89 C ANISOU 3284 C ALA D 36 975 2658 3164 340 277 -151 C ATOM 3285 O ALA D 36 -23.324 3.238 -33.321 1.00 19.48 O ANISOU 3285 O ALA D 36 1515 2799 3086 247 178 -124 O ATOM 3286 CB ALA D 36 -21.482 3.171 -36.062 1.00 17.85 C ANISOU 3286 CB ALA D 36 992 2723 3066 278 159 -294 C ATOM 0 H ALA D 36 -23.282 4.854 -36.096 1.00 19.79 H new ATOM 0 HA ALA D 36 -23.346 2.255 -36.327 1.00 18.49 H new ATOM 0 HB1 ALA D 36 -20.988 2.344 -35.950 1.00 17.85 H new ATOM 0 HB2 ALA D 36 -21.400 3.475 -36.980 1.00 17.85 H new ATOM 0 HB3 ALA D 36 -21.121 3.845 -35.465 1.00 17.85 H new ATOM 3287 N THR D 37 -22.818 1.180 -34.047 1.00 19.21 N ANISOU 3287 N THR D 37 1195 2635 3469 377 176 24 N ATOM 3288 CA THR D 37 -22.742 0.657 -32.691 1.00 21.02 C ANISOU 3288 CA THR D 37 1722 2898 3363 639 412 -87 C ATOM 3289 C THR D 37 -21.346 0.091 -32.480 1.00 21.63 C ANISOU 3289 C THR D 37 2020 3068 3127 892 448 -10 C ATOM 3290 O THR D 37 -20.739 -0.520 -33.424 1.00 23.83 O ANISOU 3290 O THR D 37 2562 3361 3132 1024 449 4 O ATOM 3291 CB THR D 37 -23.634 -0.499 -32.468 1.00 24.50 C ANISOU 3291 CB THR D 37 2075 3473 3759 502 514 -3 C ATOM 3292 OG1 THR D 37 -23.377 -1.512 -33.418 1.00 30.32 O ANISOU 3292 OG1 THR D 37 3159 3925 4435 462 351 -34 O ATOM 3293 CG2 THR D 37 -25.102 -0.029 -32.596 1.00 24.35 C ANISOU 3293 CG2 THR D 37 1328 3746 4176 295 871 -128 C ATOM 0 H THR D 37 -22.660 0.606 -34.668 1.00 19.21 H new ATOM 0 HA THR D 37 -22.983 1.388 -32.101 1.00 21.02 H new ATOM 0 HB THR D 37 -23.474 -0.860 -31.582 1.00 24.50 H new ATOM 0 HG1 THR D 37 -22.825 -2.060 -33.101 1.00 30.32 H new ATOM 0 HG21 THR D 37 -25.697 -0.781 -32.451 1.00 24.35 H new ATOM 0 HG22 THR D 37 -25.281 0.657 -31.934 1.00 24.35 H new ATOM 0 HG23 THR D 37 -25.250 0.333 -33.484 1.00 24.35 H new ATOM 3294 N VAL D 38 -20.850 0.287 -31.251 1.00 21.27 N ANISOU 3294 N VAL D 38 2223 2955 2902 772 398 257 N ATOM 3295 CA VAL D 38 -19.538 -0.240 -30.796 1.00 21.74 C ANISOU 3295 CA VAL D 38 2414 2935 2911 724 566 152 C ATOM 3296 C VAL D 38 -19.739 -1.070 -29.551 1.00 22.18 C ANISOU 3296 C VAL D 38 2577 2929 2919 915 587 107 C ATOM 3297 O VAL D 38 -20.413 -0.667 -28.638 1.00 22.93 O ANISOU 3297 O VAL D 38 2813 2996 2904 608 856 94 O ATOM 3298 CB VAL D 38 -18.540 0.916 -30.473 1.00 22.16 C ANISOU 3298 CB VAL D 38 2528 2930 2959 699 437 116 C ATOM 3299 CG1 VAL D 38 -17.218 0.452 -29.742 1.00 25.06 C ANISOU 3299 CG1 VAL D 38 2634 3555 3330 526 139 339 C ATOM 3300 CG2 VAL D 38 -18.213 1.676 -31.756 1.00 23.84 C ANISOU 3300 CG2 VAL D 38 2879 3081 3098 487 621 324 C ATOM 0 H VAL D 38 -21.266 0.734 -30.646 1.00 21.27 H new ATOM 0 HA VAL D 38 -19.166 -0.779 -31.512 1.00 21.74 H new ATOM 0 HB VAL D 38 -18.986 1.498 -29.838 1.00 22.16 H new ATOM 0 HG11 VAL D 38 -16.652 1.222 -29.576 1.00 25.06 H new ATOM 0 HG12 VAL D 38 -17.445 0.031 -28.898 1.00 25.06 H new ATOM 0 HG13 VAL D 38 -16.744 -0.182 -30.302 1.00 25.06 H new ATOM 0 HG21 VAL D 38 -17.593 2.395 -31.557 1.00 23.84 H new ATOM 0 HG22 VAL D 38 -17.810 1.070 -32.398 1.00 23.84 H new ATOM 0 HG23 VAL D 38 -19.028 2.047 -32.129 1.00 23.84 H new ATOM 3301 N GLU D 39 -19.139 -2.259 -29.544 1.00 24.21 N ANISOU 3301 N GLU D 39 3096 2999 3101 791 663 203 N ATOM 3302 CA GLU D 39 -19.040 -3.070 -28.359 1.00 26.50 C ANISOU 3302 CA GLU D 39 3300 3416 3351 485 569 106 C ATOM 3303 C GLU D 39 -17.542 -3.246 -27.974 1.00 27.08 C ANISOU 3303 C GLU D 39 3552 3382 3351 524 281 120 C ATOM 3304 O GLU D 39 -16.822 -3.933 -28.677 1.00 27.24 O ANISOU 3304 O GLU D 39 3634 3579 3137 640 407 -18 O ATOM 3305 CB GLU D 39 -19.691 -4.344 -28.764 1.00 27.08 C ANISOU 3305 CB GLU D 39 3343 3604 3341 523 667 165 C ATOM 3306 CG GLU D 39 -21.171 -4.181 -28.738 1.00 32.91 C ANISOU 3306 CG GLU D 39 3811 4238 4456 72 190 207 C ATOM 3307 CD GLU D 39 -21.794 -5.307 -29.419 1.00 39.33 C ANISOU 3307 CD GLU D 39 4993 4938 5013 -73 -36 -102 C ATOM 3308 OE1 GLU D 39 -21.832 -5.271 -30.663 1.00 38.88 O ANISOU 3308 OE1 GLU D 39 3986 5609 5176 348 17 261 O ATOM 3309 OE2 GLU D 39 -22.166 -6.257 -28.682 1.00 41.47 O ANISOU 3309 OE2 GLU D 39 5106 5198 5452 -385 -1 198 O ATOM 0 H GLU D 39 -18.777 -2.612 -30.240 1.00 24.21 H new ATOM 0 HA GLU D 39 -19.463 -2.693 -27.572 1.00 26.50 H new ATOM 0 HB2 GLU D 39 -19.400 -4.597 -29.654 1.00 27.08 H new ATOM 0 HB3 GLU D 39 -19.425 -5.058 -28.164 1.00 27.08 H new ATOM 0 HG2 GLU D 39 -21.485 -4.131 -27.822 1.00 32.91 H new ATOM 0 HG3 GLU D 39 -21.422 -3.350 -29.170 1.00 32.91 H new ATOM 3310 N ASN D 40 -17.046 -2.591 -26.901 1.00 28.30 N ANISOU 3310 N ASN D 40 3475 3592 3684 296 264 24 N ATOM 3311 CA ASN D 40 -15.573 -2.501 -26.596 1.00 28.84 C ANISOU 3311 CA ASN D 40 3722 3672 3562 97 89 13 C ATOM 3312 C ASN D 40 -15.390 -2.387 -25.075 1.00 29.32 C ANISOU 3312 C ASN D 40 3853 3701 3584 76 164 -120 C ATOM 3313 O ASN D 40 -15.545 -1.283 -24.556 1.00 30.81 O ANISOU 3313 O ASN D 40 4213 3686 3806 -143 162 -286 O ATOM 3314 CB ASN D 40 -14.931 -1.290 -27.308 1.00 28.98 C ANISOU 3314 CB ASN D 40 3589 3596 3824 252 71 15 C ATOM 3315 CG ASN D 40 -13.407 -1.271 -27.170 1.00 29.93 C ANISOU 3315 CG ASN D 40 3798 3709 3863 -82 -41 135 C ATOM 3316 OD1 ASN D 40 -12.883 -1.954 -26.328 1.00 27.67 O ANISOU 3316 OD1 ASN D 40 3203 3109 4198 330 -462 -7 O ATOM 3317 ND2 ASN D 40 -12.698 -0.487 -28.012 1.00 29.25 N ANISOU 3317 ND2 ASN D 40 3568 3476 4070 140 -33 281 N ATOM 0 H ASN D 40 -17.542 -2.186 -26.327 1.00 28.30 H new ATOM 0 HA ASN D 40 -15.130 -3.300 -26.923 1.00 28.84 H new ATOM 0 HB2 ASN D 40 -15.168 -1.309 -28.249 1.00 28.98 H new ATOM 0 HB3 ASN D 40 -15.297 -0.471 -26.940 1.00 28.98 H new ATOM 0 HD21 ASN D 40 -11.840 -0.463 -27.958 1.00 29.25 H new ATOM 0 HD22 ASN D 40 -13.105 -0.012 -28.602 1.00 29.25 H new ATOM 3318 N PRO D 41 -15.046 -3.500 -24.372 1.00 28.80 N ANISOU 3318 N PRO D 41 3814 3729 3401 6 228 -78 N ATOM 3319 CA PRO D 41 -14.784 -4.868 -24.916 1.00 27.18 C ANISOU 3319 CA PRO D 41 3526 3603 3196 28 227 -17 C ATOM 3320 C PRO D 41 -16.053 -5.610 -25.262 1.00 26.38 C ANISOU 3320 C PRO D 41 3331 3634 3056 65 397 -134 C ATOM 3321 O PRO D 41 -17.144 -5.282 -24.753 1.00 28.46 O ANISOU 3321 O PRO D 41 3315 4009 3488 -7 540 -14 O ATOM 3322 CB PRO D 41 -14.011 -5.549 -23.795 1.00 27.97 C ANISOU 3322 CB PRO D 41 3341 3892 3392 -148 441 214 C ATOM 3323 CG PRO D 41 -14.591 -4.900 -22.542 1.00 31.46 C ANISOU 3323 CG PRO D 41 4173 3937 3843 94 206 -43 C ATOM 3324 CD PRO D 41 -14.819 -3.444 -22.920 1.00 29.93 C ANISOU 3324 CD PRO D 41 3992 3823 3557 -27 242 12 C ATOM 0 HA PRO D 41 -14.296 -4.845 -25.754 1.00 27.18 H new ATOM 0 HB2 PRO D 41 -14.145 -6.510 -23.798 1.00 27.97 H new ATOM 0 HB3 PRO D 41 -13.056 -5.395 -23.871 1.00 27.97 H new ATOM 0 HG2 PRO D 41 -15.420 -5.328 -22.277 1.00 31.46 H new ATOM 0 HG3 PRO D 41 -13.980 -4.976 -21.792 1.00 31.46 H new ATOM 0 HD2 PRO D 41 -15.582 -3.069 -22.453 1.00 29.93 H new ATOM 0 HD3 PRO D 41 -14.052 -2.893 -22.699 1.00 29.93 H new ATOM 3325 N PHE D 42 -15.981 -6.485 -26.249 1.00 28.42 N ANISOU 3325 N PHE D 42 3474 3931 3390 -7 144 -229 N ATOM 3326 CA PHE D 42 -17.144 -7.329 -26.541 1.00 29.85 C ANISOU 3326 CA PHE D 42 3763 3994 3582 -88 211 -125 C ATOM 3327 C PHE D 42 -17.586 -7.936 -25.221 1.00 31.80 C ANISOU 3327 C PHE D 42 4011 4251 3819 -62 212 -62 C ATOM 3328 O PHE D 42 -16.733 -8.406 -24.445 1.00 30.63 O ANISOU 3328 O PHE D 42 3536 4359 3742 -28 146 -131 O ATOM 3329 CB PHE D 42 -16.784 -8.429 -27.500 1.00 31.09 C ANISOU 3329 CB PHE D 42 3797 4177 3837 -205 206 -215 C ATOM 3330 CG PHE D 42 -17.966 -9.151 -27.999 1.00 34.71 C ANISOU 3330 CG PHE D 42 4522 4438 4227 -223 -125 -104 C ATOM 3331 CD1 PHE D 42 -18.876 -8.514 -28.846 1.00 35.25 C ANISOU 3331 CD1 PHE D 42 4149 4741 4501 -124 -256 -139 C ATOM 3332 CD2 PHE D 42 -18.200 -10.453 -27.588 1.00 36.02 C ANISOU 3332 CD2 PHE D 42 4878 4339 4469 -243 -146 -46 C ATOM 3333 CE1 PHE D 42 -20.032 -9.217 -29.308 1.00 35.55 C ANISOU 3333 CE1 PHE D 42 4181 4738 4585 -492 -32 188 C ATOM 3334 CE2 PHE D 42 -19.328 -11.144 -28.037 1.00 38.12 C ANISOU 3334 CE2 PHE D 42 4738 4662 5082 -135 -248 13 C ATOM 3335 CZ PHE D 42 -20.214 -10.530 -28.920 1.00 37.55 C ANISOU 3335 CZ PHE D 42 4542 4617 5108 -136 -192 -59 C ATOM 0 H PHE D 42 -15.295 -6.610 -26.752 1.00 28.42 H new ATOM 0 HA PHE D 42 -17.848 -6.801 -26.949 1.00 29.85 H new ATOM 0 HB2 PHE D 42 -16.297 -8.053 -28.250 1.00 31.09 H new ATOM 0 HB3 PHE D 42 -16.188 -9.055 -27.060 1.00 31.09 H new ATOM 0 HD1 PHE D 42 -18.730 -7.634 -29.109 1.00 35.25 H new ATOM 0 HD2 PHE D 42 -17.603 -10.870 -27.010 1.00 36.02 H new ATOM 0 HE1 PHE D 42 -20.651 -8.797 -29.861 1.00 35.55 H new ATOM 0 HE2 PHE D 42 -19.487 -12.013 -27.747 1.00 38.12 H new ATOM 0 HZ PHE D 42 -20.937 -11.011 -29.252 1.00 37.55 H new ATOM 3336 N GLY D 43 -18.892 -7.890 -24.957 1.00 33.46 N ANISOU 3336 N GLY D 43 4230 4358 4122 -30 139 -160 N ATOM 3337 CA GLY D 43 -19.427 -8.391 -23.704 1.00 34.86 C ANISOU 3337 CA GLY D 43 4494 4441 4308 -52 332 -56 C ATOM 3338 C GLY D 43 -20.070 -7.281 -22.896 1.00 36.41 C ANISOU 3338 C GLY D 43 4696 4561 4577 -32 327 -68 C ATOM 3339 O GLY D 43 -20.747 -7.521 -21.878 1.00 37.51 O ANISOU 3339 O GLY D 43 4942 4646 4664 -153 469 32 O ATOM 0 H GLY D 43 -19.482 -7.571 -25.495 1.00 33.46 H new ATOM 0 HA2 GLY D 43 -20.082 -9.084 -23.884 1.00 34.86 H new ATOM 0 HA3 GLY D 43 -18.716 -8.800 -23.187 1.00 34.86 H new ATOM 3340 N GLN D 44 -19.822 -6.057 -23.342 1.00 37.39 N ANISOU 3340 N GLN D 44 4747 4768 4691 42 299 18 N ATOM 3341 CA GLN D 44 -20.205 -4.856 -22.650 1.00 39.11 C ANISOU 3341 CA GLN D 44 5047 4873 4939 7 73 10 C ATOM 3342 C GLN D 44 -21.377 -4.293 -23.432 1.00 38.66 C ANISOU 3342 C GLN D 44 4931 4866 4890 -14 109 22 C ATOM 3343 O GLN D 44 -21.419 -4.531 -24.632 1.00 40.14 O ANISOU 3343 O GLN D 44 5174 5082 4993 -48 56 -14 O ATOM 3344 CB GLN D 44 -19.029 -3.906 -22.759 1.00 40.16 C ANISOU 3344 CB GLN D 44 4990 5104 5163 -44 23 84 C ATOM 3345 CG GLN D 44 -18.603 -3.276 -21.445 1.00 43.43 C ANISOU 3345 CG GLN D 44 5623 5605 5272 -89 84 -19 C ATOM 3346 CD GLN D 44 -18.486 -4.314 -20.354 1.00 46.54 C ANISOU 3346 CD GLN D 44 5929 5933 5819 -24 -10 103 C ATOM 3347 OE1 GLN D 44 -17.878 -5.372 -20.543 1.00 47.29 O ANISOU 3347 OE1 GLN D 44 6367 5863 5736 -100 196 -46 O ATOM 3348 NE2 GLN D 44 -19.070 -4.016 -19.196 1.00 49.62 N ANISOU 3348 NE2 GLN D 44 6392 6370 6090 -48 80 -70 N ATOM 0 H GLN D 44 -19.411 -5.906 -24.082 1.00 37.39 H new ATOM 0 HA GLN D 44 -20.440 -4.998 -21.720 1.00 39.11 H new ATOM 0 HB2 GLN D 44 -18.274 -4.386 -23.134 1.00 40.16 H new ATOM 0 HB3 GLN D 44 -19.255 -3.200 -23.384 1.00 40.16 H new ATOM 0 HG2 GLN D 44 -17.751 -2.827 -21.560 1.00 43.43 H new ATOM 0 HG3 GLN D 44 -19.247 -2.600 -21.184 1.00 43.43 H new ATOM 0 HE21 GLN D 44 -19.484 -3.268 -19.103 1.00 49.62 H new ATOM 0 HE22 GLN D 44 -19.033 -4.571 -18.540 1.00 49.62 H new ATOM 3349 N PRO D 45 -22.299 -3.530 -22.785 1.00 37.81 N ANISOU 3349 N PRO D 45 4782 4784 4798 80 161 50 N ATOM 3350 CA PRO D 45 -23.435 -2.928 -23.491 1.00 38.00 C ANISOU 3350 CA PRO D 45 4801 4800 4838 21 222 36 C ATOM 3351 C PRO D 45 -22.969 -1.998 -24.602 1.00 35.70 C ANISOU 3351 C PRO D 45 4542 4384 4636 33 229 68 C ATOM 3352 O PRO D 45 -21.971 -1.307 -24.421 1.00 36.99 O ANISOU 3352 O PRO D 45 4653 4658 4742 74 158 -37 O ATOM 3353 CB PRO D 45 -24.139 -2.087 -22.402 1.00 38.02 C ANISOU 3353 CB PRO D 45 4796 4775 4872 151 222 -37 C ATOM 3354 CG PRO D 45 -23.674 -2.607 -21.110 1.00 38.00 C ANISOU 3354 CG PRO D 45 4769 4787 4882 74 216 -38 C ATOM 3355 CD PRO D 45 -22.290 -3.160 -21.346 1.00 38.64 C ANISOU 3355 CD PRO D 45 4808 4915 4959 126 232 -36 C ATOM 0 HA PRO D 45 -24.000 -3.601 -23.903 1.00 38.00 H new ATOM 0 HB2 PRO D 45 -23.919 -1.147 -22.495 1.00 38.02 H new ATOM 0 HB3 PRO D 45 -25.103 -2.161 -22.478 1.00 38.02 H new ATOM 0 HG2 PRO D 45 -23.656 -1.905 -20.441 1.00 38.00 H new ATOM 0 HG3 PRO D 45 -24.270 -3.297 -20.781 1.00 38.00 H new ATOM 0 HD2 PRO D 45 -21.605 -2.501 -21.152 1.00 38.64 H new ATOM 0 HD3 PRO D 45 -22.112 -3.929 -20.782 1.00 38.64 H new ATOM 3356 N PRO D 46 -23.627 -2.036 -25.772 1.00 33.66 N ANISOU 3356 N PRO D 46 4036 4104 4646 47 269 127 N ATOM 3357 CA PRO D 46 -22.999 -1.238 -26.830 1.00 30.30 C ANISOU 3357 CA PRO D 46 3610 3667 4235 174 465 130 C ATOM 3358 C PRO D 46 -23.274 0.233 -26.688 1.00 28.17 C ANISOU 3358 C PRO D 46 3376 3425 3899 195 602 -54 C ATOM 3359 O PRO D 46 -24.229 0.690 -26.026 1.00 29.71 O ANISOU 3359 O PRO D 46 3186 3784 4319 477 752 -96 O ATOM 3360 CB PRO D 46 -23.658 -1.710 -28.088 1.00 30.58 C ANISOU 3360 CB PRO D 46 3666 3535 4416 162 418 163 C ATOM 3361 CG PRO D 46 -25.019 -2.039 -27.628 1.00 34.30 C ANISOU 3361 CG PRO D 46 3874 4462 4695 28 285 101 C ATOM 3362 CD PRO D 46 -24.801 -2.744 -26.291 1.00 34.64 C ANISOU 3362 CD PRO D 46 4121 4297 4741 -4 181 115 C ATOM 0 HA PRO D 46 -22.035 -1.347 -26.807 1.00 30.30 H new ATOM 0 HB2 PRO D 46 -23.664 -1.023 -28.773 1.00 30.58 H new ATOM 0 HB3 PRO D 46 -23.207 -2.482 -28.465 1.00 30.58 H new ATOM 0 HG2 PRO D 46 -25.561 -1.241 -27.524 1.00 34.30 H new ATOM 0 HG3 PRO D 46 -25.478 -2.613 -28.261 1.00 34.30 H new ATOM 0 HD2 PRO D 46 -25.568 -2.657 -25.704 1.00 34.64 H new ATOM 0 HD3 PRO D 46 -24.635 -3.693 -26.402 1.00 34.64 H new ATOM 3363 N ILE D 47 -22.455 0.978 -27.365 1.00 23.90 N ANISOU 3363 N ILE D 47 2625 2983 3473 201 700 58 N ATOM 3364 CA ILE D 47 -22.650 2.379 -27.469 1.00 25.19 C ANISOU 3364 CA ILE D 47 2786 3247 3538 286 422 50 C ATOM 3365 C ILE D 47 -23.124 2.687 -28.855 1.00 22.48 C ANISOU 3365 C ILE D 47 2255 3017 3267 294 582 44 C ATOM 3366 O ILE D 47 -22.848 1.945 -29.797 1.00 25.24 O ANISOU 3366 O ILE D 47 2532 3339 3716 803 400 -116 O ATOM 3367 CB ILE D 47 -21.480 3.165 -27.048 1.00 26.33 C ANISOU 3367 CB ILE D 47 3201 3328 3473 27 275 173 C ATOM 3368 CG1 ILE D 47 -20.317 2.863 -27.927 1.00 25.32 C ANISOU 3368 CG1 ILE D 47 2630 3475 3514 96 59 -169 C ATOM 3369 CG2 ILE D 47 -21.157 2.875 -25.568 1.00 30.33 C ANISOU 3369 CG2 ILE D 47 4013 4039 3469 6 -100 153 C ATOM 3370 CD1 ILE D 47 -19.044 3.793 -27.722 1.00 28.37 C ANISOU 3370 CD1 ILE D 47 3110 3841 3826 -256 577 80 C ATOM 0 H ILE D 47 -21.763 0.681 -27.781 1.00 23.90 H new ATOM 0 HA ILE D 47 -23.335 2.654 -26.840 1.00 25.19 H new ATOM 0 HB ILE D 47 -21.680 4.110 -27.133 1.00 26.33 H new ATOM 0 HG12 ILE D 47 -20.052 1.942 -27.781 1.00 25.32 H new ATOM 0 HG13 ILE D 47 -20.603 2.933 -28.851 1.00 25.32 H new ATOM 0 HG21 ILE D 47 -20.385 3.396 -25.297 1.00 30.33 H new ATOM 0 HG22 ILE D 47 -21.918 3.115 -25.017 1.00 30.33 H new ATOM 0 HG23 ILE D 47 -20.964 1.931 -25.458 1.00 30.33 H new ATOM 0 HD11 ILE D 47 -18.343 3.522 -28.335 1.00 28.37 H new ATOM 0 HD12 ILE D 47 -19.286 4.716 -27.896 1.00 28.37 H new ATOM 0 HD13 ILE D 47 -18.726 3.710 -26.810 1.00 28.37 H new ATOM 3371 N HIS D 48 -23.903 3.768 -28.976 1.00 21.08 N ANISOU 3371 N HIS D 48 1733 2905 3370 282 681 132 N ATOM 3372 CA AHIS D 48 -24.608 3.993 -30.202 0.50 21.65 C ANISOU 3372 CA AHIS D 48 1758 3006 3459 310 509 20 C ATOM 3373 CA BHIS D 48 -24.649 4.025 -30.178 0.50 21.21 C ANISOU 3373 CA BHIS D 48 1646 2986 3424 305 544 18 C ATOM 3374 C HIS D 48 -24.425 5.428 -30.648 1.00 21.42 C ANISOU 3374 C HIS D 48 1963 2762 3412 391 412 -34 C ATOM 3375 O HIS D 48 -24.692 6.381 -29.868 1.00 22.10 O ANISOU 3375 O HIS D 48 1944 3020 3433 265 724 -195 O ATOM 3376 CB AHIS D 48 -26.132 3.747 -30.018 0.50 23.20 C ANISOU 3376 CB AHIS D 48 1951 3164 3700 257 427 50 C ATOM 3377 CB BHIS D 48 -26.153 3.962 -29.816 0.50 21.68 C ANISOU 3377 CB BHIS D 48 1555 3091 3591 350 524 83 C ATOM 3378 CG AHIS D 48 -26.857 3.689 -31.315 0.50 28.55 C ANISOU 3378 CG AHIS D 48 2825 3827 4196 226 78 -14 C ATOM 3379 CG BHIS D 48 -26.638 2.577 -29.605 0.50 23.46 C ANISOU 3379 CG BHIS D 48 1709 3281 3923 240 365 -78 C ATOM 3380 ND1AHIS D 48 -27.017 2.521 -32.022 0.50 31.67 N ANISOU 3380 ND1AHIS D 48 3339 4237 4454 85 -89 -235 N ATOM 3381 ND1BHIS D 48 -27.135 1.813 -30.633 0.50 27.63 N ANISOU 3381 ND1BHIS D 48 2683 3682 4130 277 378 -232 N ATOM 3382 CD2AHIS D 48 -27.419 4.664 -32.068 0.50 32.04 C ANISOU 3382 CD2AHIS D 48 3667 4272 4232 -64 48 143 C ATOM 3383 CD2BHIS D 48 -26.659 1.801 -28.501 0.50 26.68 C ANISOU 3383 CD2BHIS D 48 2167 3780 4188 244 286 -98 C ATOM 3384 CE1AHIS D 48 -27.648 2.777 -33.156 0.50 33.69 C ANISOU 3384 CE1AHIS D 48 3802 4441 4555 145 -96 44 C ATOM 3385 CE1BHIS D 48 -27.462 0.621 -30.162 0.50 30.19 C ANISOU 3385 CE1BHIS D 48 3194 3958 4317 -78 298 -26 C ATOM 3386 NE2AHIS D 48 -27.884 4.073 -33.216 0.50 32.18 N ANISOU 3386 NE2AHIS D 48 3338 4448 4441 -177 -148 38 N ATOM 3387 NE2BHIS D 48 -27.161 0.581 -28.877 0.50 27.63 N ANISOU 3387 NE2BHIS D 48 2362 3688 4448 -191 338 31 N ATOM 0 H AHIS D 48 -24.024 4.361 -28.365 0.50 21.08 H new ATOM 0 H BHIS D 48 -24.004 4.360 -28.360 0.50 21.08 H new ATOM 0 HA AHIS D 48 -24.251 3.379 -30.862 0.50 21.21 H new ATOM 0 HA BHIS D 48 -24.378 3.383 -30.853 0.50 21.21 H new ATOM 0 HB2AHIS D 48 -26.267 2.915 -29.537 0.50 21.68 H new ATOM 0 HB2BHIS D 48 -26.309 4.481 -29.011 0.50 21.68 H new ATOM 0 HB3AHIS D 48 -26.508 4.455 -29.472 0.50 21.68 H new ATOM 0 HB3BHIS D 48 -26.669 4.376 -30.525 0.50 21.68 H new ATOM 0 HD1BHIS D 48 -27.220 2.068 -31.450 0.50 27.63 H new ATOM 0 HD2AHIS D 48 -27.479 5.566 -31.848 0.50 26.68 H new ATOM 0 HD2BHIS D 48 -26.385 2.047 -27.647 0.50 26.68 H new ATOM 0 HE1AHIS D 48 -27.885 2.150 -33.801 0.50 30.19 H new ATOM 0 HE1BHIS D 48 -27.840 -0.072 -30.653 0.50 30.19 H new ATOM 0 HE2AHIS D 48 -28.267 4.482 -33.869 0.50 27.63 H new ATOM 3388 N GLY D 49 -24.027 5.573 -31.904 1.00 19.98 N ANISOU 3388 N GLY D 49 1607 2695 3290 203 314 4 N ATOM 3389 CA GLY D 49 -24.029 6.862 -32.561 1.00 19.45 C ANISOU 3389 CA GLY D 49 1518 2541 3330 71 253 -191 C ATOM 3390 C GLY D 49 -22.711 7.606 -32.442 1.00 18.53 C ANISOU 3390 C GLY D 49 1591 2587 2861 233 205 -313 C ATOM 3391 O GLY D 49 -21.968 7.414 -31.465 1.00 19.00 O ANISOU 3391 O GLY D 49 1791 2553 2874 231 -16 -223 O ATOM 0 H GLY D 49 -23.749 4.925 -32.396 1.00 19.98 H new ATOM 0 HA2 GLY D 49 -24.238 6.738 -33.500 1.00 19.45 H new ATOM 0 HA3 GLY D 49 -24.736 7.408 -32.183 1.00 19.45 H new ATOM 3392 N ARG D 50 -22.458 8.502 -33.368 1.00 17.22 N ANISOU 3392 N ARG D 50 1323 2281 2937 383 1 -184 N ATOM 3393 CA ARG D 50 -21.146 9.199 -33.355 1.00 17.09 C ANISOU 3393 CA ARG D 50 1335 2384 2773 88 -106 -137 C ATOM 3394 C ARG D 50 -20.938 9.986 -32.142 1.00 16.65 C ANISOU 3394 C ARG D 50 1048 2353 2925 7 -37 -213 C ATOM 3395 O ARG D 50 -19.762 10.105 -31.801 1.00 18.18 O ANISOU 3395 O ARG D 50 1287 2588 3030 148 -116 -98 O ATOM 3396 CB ARG D 50 -20.978 10.050 -34.620 1.00 18.33 C ANISOU 3396 CB ARG D 50 1537 2377 3048 196 -193 -190 C ATOM 3397 CG ARG D 50 -20.696 9.223 -35.864 1.00 19.32 C ANISOU 3397 CG ARG D 50 2168 2666 2506 -92 -167 -152 C ATOM 3398 CD ARG D 50 -20.535 10.180 -37.004 1.00 19.99 C ANISOU 3398 CD ARG D 50 2166 2802 2625 -300 -218 -30 C ATOM 3399 NE ARG D 50 -20.252 9.528 -38.259 1.00 19.85 N ANISOU 3399 NE ARG D 50 2220 2608 2712 99 -249 3 N ATOM 3400 CZ ARG D 50 -20.447 10.086 -39.442 1.00 24.59 C ANISOU 3400 CZ ARG D 50 3626 2731 2985 311 -61 62 C ATOM 3401 NH1 ARG D 50 -20.982 11.320 -39.561 1.00 28.46 N ANISOU 3401 NH1 ARG D 50 4177 2940 3693 1039 214 62 N ATOM 3402 NH2 ARG D 50 -20.144 9.421 -40.515 1.00 26.39 N ANISOU 3402 NH2 ARG D 50 4003 3061 2962 834 -117 -131 N ATOM 0 H ARG D 50 -22.995 8.730 -34.000 1.00 17.22 H new ATOM 0 HA ARG D 50 -20.456 8.517 -33.352 1.00 17.09 H new ATOM 0 HB2 ARG D 50 -21.783 10.572 -34.761 1.00 18.33 H new ATOM 0 HB3 ARG D 50 -20.252 10.679 -34.486 1.00 18.33 H new ATOM 0 HG2 ARG D 50 -19.893 8.691 -35.747 1.00 19.32 H new ATOM 0 HG3 ARG D 50 -21.423 8.604 -36.036 1.00 19.32 H new ATOM 0 HD2 ARG D 50 -21.346 10.705 -37.095 1.00 19.99 H new ATOM 0 HD3 ARG D 50 -19.817 10.800 -36.799 1.00 19.99 H new ATOM 0 HE ARG D 50 -19.937 8.728 -38.237 1.00 19.85 H new ATOM 0 HH11 ARG D 50 -21.205 11.762 -38.858 1.00 28.46 H new ATOM 0 HH12 ARG D 50 -21.100 11.664 -40.340 1.00 28.46 H new ATOM 0 HH21 ARG D 50 -19.820 8.627 -40.452 1.00 26.39 H new ATOM 0 HH22 ARG D 50 -20.267 9.775 -41.289 1.00 26.39 H new ATOM 3403 N GLU D 51 -21.916 10.616 -31.496 1.00 18.91 N ANISOU 3403 N GLU D 51 1836 2483 2867 430 39 -287 N ATOM 3404 CA GLU D 51 -21.568 11.371 -30.276 1.00 19.89 C ANISOU 3404 CA GLU D 51 2104 2608 2843 625 -31 -297 C ATOM 3405 C GLU D 51 -21.023 10.448 -29.180 1.00 19.94 C ANISOU 3405 C GLU D 51 2086 2809 2681 458 -46 -281 C ATOM 3406 O GLU D 51 -19.971 10.717 -28.557 1.00 20.24 O ANISOU 3406 O GLU D 51 2038 2745 2907 369 -163 -191 O ATOM 3407 CB GLU D 51 -22.737 12.184 -29.740 1.00 21.03 C ANISOU 3407 CB GLU D 51 1997 2944 3049 510 -212 -473 C ATOM 3408 CG GLU D 51 -22.425 12.925 -28.447 1.00 25.14 C ANISOU 3408 CG GLU D 51 3134 3041 3377 551 -76 -589 C ATOM 3409 CD GLU D 51 -23.642 13.519 -27.729 1.00 30.26 C ANISOU 3409 CD GLU D 51 3541 3724 4230 388 64 -622 C ATOM 3410 OE1 GLU D 51 -24.748 12.939 -27.795 1.00 31.28 O ANISOU 3410 OE1 GLU D 51 3468 3908 4507 531 407 -485 O ATOM 3411 OE2 GLU D 51 -23.475 14.605 -27.116 1.00 37.65 O ANISOU 3411 OE2 GLU D 51 4433 4654 5216 247 -66 -700 O ATOM 0 H GLU D 51 -22.745 10.626 -31.724 1.00 18.91 H new ATOM 0 HA GLU D 51 -20.871 11.994 -30.535 1.00 19.89 H new ATOM 0 HB2 GLU D 51 -23.010 12.826 -30.414 1.00 21.03 H new ATOM 0 HB3 GLU D 51 -23.491 11.592 -29.590 1.00 21.03 H new ATOM 0 HG2 GLU D 51 -21.975 12.315 -27.841 1.00 25.14 H new ATOM 0 HG3 GLU D 51 -21.801 13.641 -28.643 1.00 25.14 H new ATOM 3412 N GLN D 52 -21.708 9.340 -28.941 1.00 18.89 N ANISOU 3412 N GLN D 52 1732 2637 2806 528 199 -55 N ATOM 3413 CA GLN D 52 -21.254 8.408 -27.892 1.00 19.94 C ANISOU 3413 CA GLN D 52 1978 2906 2692 378 190 -2 C ATOM 3414 C GLN D 52 -19.873 7.778 -28.286 1.00 18.03 C ANISOU 3414 C GLN D 52 1382 2779 2690 244 87 -71 C ATOM 3415 O GLN D 52 -18.991 7.548 -27.420 1.00 19.67 O ANISOU 3415 O GLN D 52 2033 2868 2572 410 243 -41 O ATOM 3416 CB GLN D 52 -22.211 7.265 -27.650 1.00 21.92 C ANISOU 3416 CB GLN D 52 2128 3108 3090 386 348 91 C ATOM 3417 CG GLN D 52 -23.526 7.758 -27.029 1.00 26.23 C ANISOU 3417 CG GLN D 52 2300 3920 3744 380 463 41 C ATOM 3418 CD GLN D 52 -24.538 6.660 -26.739 1.00 31.51 C ANISOU 3418 CD GLN D 52 3375 3959 4639 99 509 31 C ATOM 3419 OE1 GLN D 52 -24.220 5.459 -26.608 1.00 30.93 O ANISOU 3419 OE1 GLN D 52 3498 4027 4228 309 800 -177 O ATOM 3420 NE2 GLN D 52 -25.800 7.090 -26.584 1.00 36.24 N ANISOU 3420 NE2 GLN D 52 3801 4780 5186 305 272 -245 N ATOM 0 H GLN D 52 -22.422 9.104 -29.358 1.00 18.89 H new ATOM 0 HA GLN D 52 -21.193 8.939 -27.083 1.00 19.94 H new ATOM 0 HB2 GLN D 52 -22.396 6.813 -28.488 1.00 21.92 H new ATOM 0 HB3 GLN D 52 -21.798 6.614 -27.062 1.00 21.92 H new ATOM 0 HG2 GLN D 52 -23.325 8.224 -26.202 1.00 26.23 H new ATOM 0 HG3 GLN D 52 -23.931 8.405 -27.628 1.00 26.23 H new ATOM 0 HE21 GLN D 52 -25.985 7.924 -26.681 1.00 36.24 H new ATOM 0 HE22 GLN D 52 -26.424 6.531 -26.387 1.00 36.24 H new ATOM 3421 N ILE D 53 -19.698 7.492 -29.576 1.00 17.76 N ANISOU 3421 N ILE D 53 1511 2570 2664 287 100 -151 N ATOM 3422 CA ILE D 53 -18.439 6.915 -30.054 1.00 17.75 C ANISOU 3422 CA ILE D 53 1636 2512 2597 343 101 -12 C ATOM 3423 C ILE D 53 -17.368 7.945 -29.868 1.00 18.33 C ANISOU 3423 C ILE D 53 1831 2694 2437 292 -300 -53 C ATOM 3424 O ILE D 53 -16.293 7.595 -29.384 1.00 17.75 O ANISOU 3424 O ILE D 53 1453 2536 2756 124 -571 -136 O ATOM 3425 CB ILE D 53 -18.589 6.454 -31.509 1.00 16.77 C ANISOU 3425 CB ILE D 53 1409 2346 2613 180 48 -141 C ATOM 3426 CG1 ILE D 53 -19.578 5.258 -31.551 1.00 19.28 C ANISOU 3426 CG1 ILE D 53 1757 2619 2949 195 163 -209 C ATOM 3427 CG2 ILE D 53 -17.227 6.076 -32.060 1.00 19.05 C ANISOU 3427 CG2 ILE D 53 1576 2716 2944 445 279 -437 C ATOM 3428 CD1 ILE D 53 -20.087 4.826 -32.916 1.00 19.36 C ANISOU 3428 CD1 ILE D 53 1747 2869 2739 604 -83 -163 C ATOM 0 H ILE D 53 -20.289 7.623 -30.187 1.00 17.76 H new ATOM 0 HA ILE D 53 -18.194 6.124 -29.549 1.00 17.75 H new ATOM 0 HB ILE D 53 -18.944 7.167 -32.063 1.00 16.77 H new ATOM 0 HG12 ILE D 53 -19.145 4.495 -31.136 1.00 19.28 H new ATOM 0 HG13 ILE D 53 -20.345 5.483 -31.001 1.00 19.28 H new ATOM 0 HG21 ILE D 53 -17.320 5.784 -32.980 1.00 19.05 H new ATOM 0 HG22 ILE D 53 -16.638 6.846 -32.023 1.00 19.05 H new ATOM 0 HG23 ILE D 53 -16.851 5.356 -31.529 1.00 19.05 H new ATOM 0 HD11 ILE D 53 -20.693 4.076 -32.813 1.00 19.36 H new ATOM 0 HD12 ILE D 53 -20.556 5.564 -33.335 1.00 19.36 H new ATOM 0 HD13 ILE D 53 -19.338 4.562 -33.472 1.00 19.36 H new ATOM 3429 N ALA D 54 -17.598 9.226 -30.181 1.00 17.26 N ANISOU 3429 N ALA D 54 1394 2618 2543 338 0 -170 N ATOM 3430 CA ALA D 54 -16.539 10.226 -29.960 1.00 19.57 C ANISOU 3430 CA ALA D 54 2067 2732 2636 203 -78 -111 C ATOM 3431 C ALA D 54 -16.174 10.314 -28.513 1.00 17.63 C ANISOU 3431 C ALA D 54 1444 2655 2597 394 -47 -230 C ATOM 3432 O ALA D 54 -14.986 10.462 -28.216 1.00 19.93 O ANISOU 3432 O ALA D 54 1919 2780 2873 248 -268 -54 O ATOM 3433 CB ALA D 54 -17.020 11.596 -30.446 1.00 19.44 C ANISOU 3433 CB ALA D 54 1485 2903 2998 149 130 -39 C ATOM 0 H ALA D 54 -18.332 9.531 -30.511 1.00 17.26 H new ATOM 0 HA ALA D 54 -15.753 9.952 -30.459 1.00 19.57 H new ATOM 0 HB1 ALA D 54 -16.323 12.254 -30.300 1.00 19.44 H new ATOM 0 HB2 ALA D 54 -17.228 11.549 -31.392 1.00 19.44 H new ATOM 0 HB3 ALA D 54 -17.815 11.853 -29.953 1.00 19.44 H new ATOM 3434 N ALA D 55 -17.166 10.244 -27.620 1.00 19.95 N ANISOU 3434 N ALA D 55 2067 2848 2662 362 -67 -307 N ATOM 3435 CA ALA D 55 -16.893 10.358 -26.205 1.00 20.63 C ANISOU 3435 CA ALA D 55 2340 3022 2477 454 -1 -293 C ATOM 3436 C ALA D 55 -16.022 9.202 -25.799 1.00 22.16 C ANISOU 3436 C ALA D 55 2649 3220 2548 202 -352 -154 C ATOM 3437 O ALA D 55 -15.025 9.390 -25.058 1.00 22.76 O ANISOU 3437 O ALA D 55 2470 3403 2772 333 -585 -194 O ATOM 3438 CB ALA D 55 -18.172 10.415 -25.398 1.00 22.25 C ANISOU 3438 CB ALA D 55 2410 3383 2661 334 23 -294 C ATOM 0 H ALA D 55 -17.995 10.132 -27.821 1.00 19.95 H new ATOM 0 HA ALA D 55 -16.427 11.189 -26.025 1.00 20.63 H new ATOM 0 HB1 ALA D 55 -17.957 10.491 -24.455 1.00 22.25 H new ATOM 0 HB2 ALA D 55 -18.694 11.185 -25.673 1.00 22.25 H new ATOM 0 HB3 ALA D 55 -18.686 9.606 -25.548 1.00 22.25 H new ATOM 3439 N PHE D 56 -16.318 8.019 -26.300 1.00 21.00 N ANISOU 3439 N PHE D 56 2305 3086 2588 231 -158 -185 N ATOM 3440 CA PHE D 56 -15.528 6.839 -26.040 1.00 23.28 C ANISOU 3440 CA PHE D 56 2900 3092 2853 242 -115 -146 C ATOM 3441 C PHE D 56 -14.035 6.996 -26.447 1.00 21.74 C ANISOU 3441 C PHE D 56 2442 3132 2683 57 -349 -69 C ATOM 3442 O PHE D 56 -13.126 6.715 -25.653 1.00 22.96 O ANISOU 3442 O PHE D 56 2868 3388 2466 306 -319 -72 O ATOM 3443 CB PHE D 56 -16.191 5.633 -26.700 1.00 22.66 C ANISOU 3443 CB PHE D 56 2492 2958 3156 186 -94 -19 C ATOM 3444 CG PHE D 56 -15.364 4.382 -26.646 1.00 24.69 C ANISOU 3444 CG PHE D 56 2811 2934 3635 62 -165 -4 C ATOM 3445 CD1 PHE D 56 -15.470 3.578 -25.555 1.00 29.04 C ANISOU 3445 CD1 PHE D 56 3605 3480 3946 311 -171 214 C ATOM 3446 CD2 PHE D 56 -14.550 4.003 -27.696 1.00 28.94 C ANISOU 3446 CD2 PHE D 56 3477 3135 4382 278 135 -100 C ATOM 3447 CE1 PHE D 56 -14.698 2.383 -25.463 1.00 33.05 C ANISOU 3447 CE1 PHE D 56 4444 3433 4681 407 42 174 C ATOM 3448 CE2 PHE D 56 -13.784 2.821 -27.609 1.00 30.74 C ANISOU 3448 CE2 PHE D 56 3726 3420 4532 152 224 62 C ATOM 3449 CZ PHE D 56 -13.865 2.041 -26.495 1.00 30.77 C ANISOU 3449 CZ PHE D 56 3888 3334 4465 299 -91 135 C ATOM 0 H PHE D 56 -16.996 7.878 -26.810 1.00 21.00 H new ATOM 0 HA PHE D 56 -15.504 6.698 -25.081 1.00 23.28 H new ATOM 0 HB2 PHE D 56 -17.043 5.466 -26.268 1.00 22.66 H new ATOM 0 HB3 PHE D 56 -16.380 5.846 -27.627 1.00 22.66 H new ATOM 0 HD1 PHE D 56 -16.049 3.809 -24.865 1.00 29.04 H new ATOM 0 HD2 PHE D 56 -14.507 4.528 -28.462 1.00 28.94 H new ATOM 0 HE1 PHE D 56 -14.759 1.841 -24.710 1.00 33.05 H new ATOM 0 HE2 PHE D 56 -13.225 2.575 -28.311 1.00 30.74 H new ATOM 0 HZ PHE D 56 -13.350 1.269 -26.435 1.00 30.77 H new ATOM 3450 N TYR D 57 -13.762 7.472 -27.663 1.00 17.98 N ANISOU 3450 N TYR D 57 1473 2818 2537 60 -241 -127 N ATOM 3451 CA TYR D 57 -12.393 7.609 -28.114 1.00 19.01 C ANISOU 3451 CA TYR D 57 1554 2907 2760 44 -69 -250 C ATOM 3452 C TYR D 57 -11.787 8.780 -27.399 1.00 21.51 C ANISOU 3452 C TYR D 57 2142 3102 2929 170 -89 -389 C ATOM 3453 O TYR D 57 -10.586 8.716 -27.143 1.00 23.49 O ANISOU 3453 O TYR D 57 2163 3316 3444 127 -370 -388 O ATOM 3454 CB TYR D 57 -12.403 7.820 -29.637 1.00 19.16 C ANISOU 3454 CB TYR D 57 1772 2790 2715 83 16 -261 C ATOM 3455 CG TYR D 57 -12.615 6.493 -30.322 1.00 16.44 C ANISOU 3455 CG TYR D 57 1051 2663 2532 143 257 -172 C ATOM 3456 CD1 TYR D 57 -11.555 5.591 -30.429 1.00 18.51 C ANISOU 3456 CD1 TYR D 57 1530 2814 2687 80 -76 -250 C ATOM 3457 CD2 TYR D 57 -13.807 6.153 -30.877 1.00 20.65 C ANISOU 3457 CD2 TYR D 57 1871 2849 3125 -99 -411 -174 C ATOM 3458 CE1 TYR D 57 -11.695 4.368 -31.071 1.00 17.44 C ANISOU 3458 CE1 TYR D 57 907 2947 2770 -285 165 -70 C ATOM 3459 CE2 TYR D 57 -13.970 4.879 -31.500 1.00 19.30 C ANISOU 3459 CE2 TYR D 57 1465 2897 2969 271 -246 -345 C ATOM 3460 CZ TYR D 57 -12.901 4.044 -31.585 1.00 16.17 C ANISOU 3460 CZ TYR D 57 686 2595 2863 168 16 -87 C ATOM 3461 OH TYR D 57 -13.096 2.819 -32.172 1.00 18.54 O ANISOU 3461 OH TYR D 57 1806 2505 2730 114 53 -311 O ATOM 0 H TYR D 57 -14.357 7.718 -28.234 1.00 17.98 H new ATOM 0 HA TYR D 57 -11.866 6.818 -27.920 1.00 19.01 H new ATOM 0 HB2 TYR D 57 -13.108 8.439 -29.884 1.00 19.16 H new ATOM 0 HB3 TYR D 57 -11.565 8.214 -29.925 1.00 19.16 H new ATOM 0 HD1 TYR D 57 -10.732 5.816 -30.060 1.00 18.51 H new ATOM 0 HD2 TYR D 57 -14.518 6.751 -30.851 1.00 20.65 H new ATOM 0 HE1 TYR D 57 -10.974 3.785 -31.145 1.00 17.44 H new ATOM 0 HE2 TYR D 57 -14.796 4.624 -31.843 1.00 19.30 H new ATOM 0 HH TYR D 57 -12.441 2.637 -32.665 1.00 18.54 H new ATOM 3462 N ARG D 58 -12.538 9.831 -27.079 1.00 22.24 N ANISOU 3462 N ARG D 58 2389 2916 3144 126 -205 -419 N ATOM 3463 CA ARG D 58 -11.888 10.961 -26.369 1.00 25.39 C ANISOU 3463 CA ARG D 58 2938 3274 3431 11 -402 -349 C ATOM 3464 C ARG D 58 -11.340 10.545 -25.015 1.00 24.66 C ANISOU 3464 C ARG D 58 2463 3447 3459 158 -618 -300 C ATOM 3465 O ARG D 58 -10.216 10.981 -24.602 1.00 27.65 O ANISOU 3465 O ARG D 58 2544 3909 4050 124 -707 -487 O ATOM 3466 CB ARG D 58 -12.835 12.138 -26.172 1.00 24.49 C ANISOU 3466 CB ARG D 58 2589 3138 3576 -138 -273 -506 C ATOM 3467 CG ARG D 58 -12.180 13.450 -25.841 1.00 32.32 C ANISOU 3467 CG ARG D 58 4195 3768 4314 -117 -299 -368 C ATOM 3468 CD ARG D 58 -13.090 14.589 -26.344 1.00 35.60 C ANISOU 3468 CD ARG D 58 4464 4142 4917 57 9 -133 C ATOM 3469 NE ARG D 58 -12.947 14.861 -27.783 1.00 41.24 N ANISOU 3469 NE ARG D 58 5391 4941 5334 -186 65 -180 N ATOM 3470 CZ ARG D 58 -11.833 15.347 -28.366 1.00 43.13 C ANISOU 3470 CZ ARG D 58 5186 5605 5596 -24 40 -117 C ATOM 3471 NH1 ARG D 58 -10.744 15.617 -27.644 1.00 41.92 N ANISOU 3471 NH1 ARG D 58 4907 5560 5459 -133 15 -190 N ATOM 3472 NH2 ARG D 58 -11.804 15.566 -29.674 1.00 44.44 N ANISOU 3472 NH2 ARG D 58 5088 5998 5798 1 257 -67 N ATOM 0 H ARG D 58 -13.377 9.920 -27.246 1.00 22.24 H new ATOM 0 HA ARG D 58 -11.154 11.237 -26.939 1.00 25.39 H new ATOM 0 HB2 ARG D 58 -13.358 12.251 -26.981 1.00 24.49 H new ATOM 0 HB3 ARG D 58 -13.457 11.917 -25.461 1.00 24.49 H new ATOM 0 HG2 ARG D 58 -12.042 13.526 -24.884 1.00 32.32 H new ATOM 0 HG3 ARG D 58 -11.307 13.506 -26.259 1.00 32.32 H new ATOM 0 HD2 ARG D 58 -14.014 14.363 -26.155 1.00 35.60 H new ATOM 0 HD3 ARG D 58 -12.889 15.398 -25.848 1.00 35.60 H new ATOM 0 HE ARG D 58 -13.623 14.698 -28.289 1.00 41.24 H new ATOM 0 HH11 ARG D 58 -10.747 15.481 -26.795 1.00 41.92 H new ATOM 0 HH12 ARG D 58 -10.039 15.927 -28.028 1.00 41.92 H new ATOM 0 HH21 ARG D 58 -12.498 15.398 -30.154 1.00 44.44 H new ATOM 0 HH22 ARG D 58 -11.091 15.876 -30.042 1.00 44.44 H new ATOM 3473 N GLN D 59 -12.058 9.680 -24.342 1.00 27.19 N ANISOU 3473 N GLN D 59 3128 3814 3389 196 -664 -258 N ATOM 3474 CA GLN D 59 -11.665 9.206 -23.024 1.00 31.82 C ANISOU 3474 CA GLN D 59 3919 4314 3855 224 -572 -144 C ATOM 3475 C GLN D 59 -10.552 8.187 -23.113 1.00 33.50 C ANISOU 3475 C GLN D 59 4127 4522 4077 292 -624 -180 C ATOM 3476 O GLN D 59 -9.528 8.315 -22.386 1.00 35.50 O ANISOU 3476 O GLN D 59 4090 4959 4438 332 -648 -198 O ATOM 3477 CB GLN D 59 -12.905 8.698 -22.288 1.00 34.24 C ANISOU 3477 CB GLN D 59 4503 4497 4009 73 -395 -44 C ATOM 3478 CG GLN D 59 -12.770 8.692 -20.757 1.00 40.71 C ANISOU 3478 CG GLN D 59 5435 5383 4650 15 -289 -56 C ATOM 3479 CD GLN D 59 -13.100 10.003 -20.068 1.00 46.65 C ANISOU 3479 CD GLN D 59 6187 5712 5827 89 69 -53 C ATOM 3480 OE1 GLN D 59 -12.730 11.087 -20.528 1.00 51.09 O ANISOU 3480 OE1 GLN D 59 6720 6270 6419 -81 -10 75 O ATOM 3481 NE2 GLN D 59 -13.774 9.904 -18.923 1.00 49.58 N ANISOU 3481 NE2 GLN D 59 6463 6332 6043 1 91 -79 N ATOM 0 H GLN D 59 -12.794 9.343 -24.632 1.00 27.19 H new ATOM 0 HA GLN D 59 -11.295 9.937 -22.505 1.00 31.82 H new ATOM 0 HB2 GLN D 59 -13.664 9.250 -22.534 1.00 34.24 H new ATOM 0 HB3 GLN D 59 -13.101 7.797 -22.589 1.00 34.24 H new ATOM 0 HG2 GLN D 59 -13.350 8.002 -20.399 1.00 40.71 H new ATOM 0 HG3 GLN D 59 -11.860 8.445 -20.529 1.00 40.71 H new ATOM 0 HE21 GLN D 59 -14.016 9.132 -18.632 1.00 49.58 H new ATOM 0 HE22 GLN D 59 -13.967 10.612 -18.475 1.00 49.58 H new ATOM 3482 N GLY D 60 -10.686 7.209 -24.019 1.00 33.87 N ANISOU 3482 N GLY D 60 4114 4451 4303 359 -476 -141 N ATOM 3483 CA GLY D 60 -9.585 6.232 -24.262 1.00 35.76 C ANISOU 3483 CA GLY D 60 4343 4726 4517 269 -351 -139 C ATOM 3484 C GLY D 60 -8.321 6.851 -24.846 1.00 36.50 C ANISOU 3484 C GLY D 60 4297 4902 4668 233 -237 -101 C ATOM 3485 O GLY D 60 -7.189 6.380 -24.568 1.00 38.72 O ANISOU 3485 O GLY D 60 4565 5244 4903 249 -295 -77 O ATOM 0 H GLY D 60 -11.388 7.087 -24.500 1.00 33.87 H new ATOM 0 HA2 GLY D 60 -9.363 5.795 -23.425 1.00 35.76 H new ATOM 0 HA3 GLY D 60 -9.904 5.543 -24.865 1.00 35.76 H new ATOM 3486 N LEU D 61 -8.497 7.878 -25.675 1.00 36.97 N ANISOU 3486 N LEU D 61 4438 4938 4672 125 -153 -150 N ATOM 3487 CA LEU D 61 -7.395 8.620 -26.306 1.00 37.69 C ANISOU 3487 CA LEU D 61 4484 4987 4847 24 -147 -84 C ATOM 3488 C LEU D 61 -7.419 10.114 -25.895 1.00 39.97 C ANISOU 3488 C LEU D 61 4875 5089 5221 -53 -159 91 C ATOM 3489 O LEU D 61 -7.327 11.043 -26.745 1.00 41.33 O ANISOU 3489 O LEU D 61 5179 5260 5262 -155 -386 205 O ATOM 3490 CB LEU D 61 -7.398 8.446 -27.845 1.00 37.68 C ANISOU 3490 CB LEU D 61 4325 5042 4948 122 -78 -86 C ATOM 3491 CG LEU D 61 -7.762 7.126 -28.540 1.00 33.35 C ANISOU 3491 CG LEU D 61 3528 4670 4470 347 -251 18 C ATOM 3492 CD1 LEU D 61 -7.990 7.340 -30.063 1.00 31.54 C ANISOU 3492 CD1 LEU D 61 3261 4329 4394 129 276 -2 C ATOM 3493 CD2 LEU D 61 -6.712 5.992 -28.299 1.00 35.68 C ANISOU 3493 CD2 LEU D 61 4083 4721 4751 372 -337 -32 C ATOM 0 H LEU D 61 -9.275 8.172 -25.894 1.00 36.97 H new ATOM 0 HA LEU D 61 -6.563 8.243 -25.981 1.00 37.69 H new ATOM 0 HB2 LEU D 61 -8.004 9.117 -28.196 1.00 37.68 H new ATOM 0 HB3 LEU D 61 -6.507 8.680 -28.150 1.00 37.68 H new ATOM 0 HG LEU D 61 -8.592 6.829 -28.134 1.00 33.35 H new ATOM 0 HD11 LEU D 61 -8.218 6.494 -30.478 1.00 31.54 H new ATOM 0 HD12 LEU D 61 -8.715 7.971 -30.196 1.00 31.54 H new ATOM 0 HD13 LEU D 61 -7.180 7.689 -30.466 1.00 31.54 H new ATOM 0 HD21 LEU D 61 -6.994 5.186 -28.760 1.00 35.68 H new ATOM 0 HD22 LEU D 61 -5.848 6.273 -28.639 1.00 35.68 H new ATOM 0 HD23 LEU D 61 -6.642 5.812 -27.348 1.00 35.68 H new ATOM 3494 N LYS D 65 -0.403 9.911 -24.527 1.00 35.61 N ANISOU 3494 N LYS D 65 4694 4301 4532 -128 -184 -260 N ATOM 3495 CA LYS D 65 0.275 9.294 -25.647 1.00 32.74 C ANISOU 3495 CA LYS D 65 4147 3800 4492 -168 -202 -171 C ATOM 3496 C LYS D 65 -0.244 7.844 -25.805 1.00 31.48 C ANISOU 3496 C LYS D 65 4052 3674 4234 -226 -294 -131 C ATOM 3497 O LYS D 65 -0.339 7.075 -24.845 1.00 31.19 O ANISOU 3497 O LYS D 65 4121 3603 4125 -502 -449 -204 O ATOM 3498 CB LYS D 65 1.742 9.278 -25.302 1.00 34.88 C ANISOU 3498 CB LYS D 65 4278 4219 4755 -223 -120 -124 C ATOM 3499 CG LYS D 65 2.670 8.682 -26.371 1.00 36.37 C ANISOU 3499 CG LYS D 65 4375 4548 4896 14 -89 -189 C ATOM 3500 CD LYS D 65 4.063 8.515 -25.708 1.00 42.14 C ANISOU 3500 CD LYS D 65 4794 5607 5608 -60 -90 -132 C ATOM 3501 CE LYS D 65 5.106 7.975 -26.650 1.00 44.25 C ANISOU 3501 CE LYS D 65 5342 5574 5896 -4 111 -127 C ATOM 3502 NZ LYS D 65 6.381 8.215 -25.939 1.00 46.79 N ANISOU 3502 NZ LYS D 65 5631 6051 6095 45 -93 -151 N ATOM 0 HA LYS D 65 0.119 9.773 -26.476 1.00 32.74 H new ATOM 0 HB2 LYS D 65 2.025 10.188 -25.122 1.00 34.88 H new ATOM 0 HB3 LYS D 65 1.859 8.777 -24.480 1.00 34.88 H new ATOM 0 HG2 LYS D 65 2.332 7.828 -26.683 1.00 36.37 H new ATOM 0 HG3 LYS D 65 2.724 9.265 -27.144 1.00 36.37 H new ATOM 0 HD2 LYS D 65 4.357 9.374 -25.366 1.00 42.14 H new ATOM 0 HD3 LYS D 65 3.983 7.919 -24.947 1.00 42.14 H new ATOM 0 HE2 LYS D 65 4.970 7.031 -26.829 1.00 44.25 H new ATOM 0 HE3 LYS D 65 5.084 8.432 -27.505 1.00 44.25 H new ATOM 0 HZ1 LYS D 65 7.058 7.920 -26.436 1.00 46.79 H new ATOM 0 HZ2 LYS D 65 6.479 9.087 -25.792 1.00 46.79 H new ATOM 0 HZ3 LYS D 65 6.373 7.782 -25.161 1.00 46.79 H new ATOM 3503 N VAL D 66 -0.635 7.500 -27.017 1.00 27.79 N ANISOU 3503 N VAL D 66 3508 3134 3917 -186 -336 -223 N ATOM 3504 CA VAL D 66 -1.125 6.137 -27.288 1.00 26.38 C ANISOU 3504 CA VAL D 66 2959 3167 3898 -183 -286 -163 C ATOM 3505 C VAL D 66 -0.540 5.708 -28.592 1.00 25.50 C ANISOU 3505 C VAL D 66 2862 3051 3776 -368 -296 -40 C ATOM 3506 O VAL D 66 -0.403 6.538 -29.504 1.00 29.34 O ANISOU 3506 O VAL D 66 4016 3211 3919 -172 -331 46 O ATOM 3507 CB VAL D 66 -2.685 6.144 -27.430 1.00 27.32 C ANISOU 3507 CB VAL D 66 3001 3382 3997 -89 -88 -266 C ATOM 3508 CG1 VAL D 66 -3.158 4.767 -27.883 1.00 26.84 C ANISOU 3508 CG1 VAL D 66 2596 3428 4170 -54 -72 -514 C ATOM 3509 CG2 VAL D 66 -3.356 6.477 -26.102 1.00 30.35 C ANISOU 3509 CG2 VAL D 66 3311 3999 4222 134 -109 -120 C ATOM 0 H VAL D 66 -0.630 8.025 -27.698 1.00 27.79 H new ATOM 0 HA VAL D 66 -0.874 5.542 -26.564 1.00 26.38 H new ATOM 0 HB VAL D 66 -2.926 6.820 -28.082 1.00 27.32 H new ATOM 0 HG11 VAL D 66 -4.124 4.769 -27.971 1.00 26.84 H new ATOM 0 HG12 VAL D 66 -2.756 4.552 -28.739 1.00 26.84 H new ATOM 0 HG13 VAL D 66 -2.896 4.102 -27.227 1.00 26.84 H new ATOM 0 HG21 VAL D 66 -4.319 6.475 -26.216 1.00 30.35 H new ATOM 0 HG22 VAL D 66 -3.108 5.814 -25.439 1.00 30.35 H new ATOM 0 HG23 VAL D 66 -3.068 7.354 -25.805 1.00 30.35 H new ATOM 3510 N AARG D 67 -0.123 4.451 -28.693 0.50 23.82 N ANISOU 3510 N AARG D 67 2572 2808 3670 -487 -287 -187 N ATOM 3511 N BARG D 67 -0.113 4.457 -28.692 0.50 23.77 N ANISOU 3511 N BARG D 67 2569 2803 3660 -486 -289 -190 N ATOM 3512 CA AARG D 67 0.403 3.937 -29.939 0.50 23.74 C ANISOU 3512 CA AARG D 67 2485 2839 3693 -546 -246 -193 C ATOM 3513 CA BARG D 67 0.390 3.935 -29.943 0.50 23.28 C ANISOU 3513 CA BARG D 67 2413 2786 3646 -558 -267 -201 C ATOM 3514 C AARG D 67 -0.515 2.757 -30.320 0.50 21.49 C ANISOU 3514 C AARG D 67 2163 2657 3345 -473 -280 -173 C ATOM 3515 C BARG D 67 -0.554 2.785 -30.320 0.50 21.33 C ANISOU 3515 C BARG D 67 2119 2647 3335 -482 -292 -174 C ATOM 3516 O AARG D 67 -0.960 2.036 -29.455 0.50 22.19 O ANISOU 3516 O AARG D 67 2507 2745 3179 -532 -297 -305 O ATOM 3517 O BARG D 67 -1.061 2.121 -29.453 0.50 22.25 O ANISOU 3517 O BARG D 67 2533 2752 3167 -535 -304 -311 O ATOM 3518 CB AARG D 67 1.876 3.439 -29.775 0.50 25.59 C ANISOU 3518 CB AARG D 67 2721 3102 3900 -461 -230 -119 C ATOM 3519 CB BARG D 67 1.837 3.388 -29.786 0.50 25.78 C ANISOU 3519 CB BARG D 67 2813 3110 3871 -415 -263 -152 C ATOM 3520 CG AARG D 67 2.834 4.327 -28.954 0.50 29.74 C ANISOU 3520 CG AARG D 67 3435 3611 4253 -314 -121 -152 C ATOM 3521 CG BARG D 67 2.916 4.430 -29.620 0.50 29.91 C ANISOU 3521 CG BARG D 67 3464 3615 4285 -372 -113 -134 C ATOM 3522 CD AARG D 67 4.314 3.915 -29.176 0.50 34.06 C ANISOU 3522 CD AARG D 67 3749 4422 4768 -280 0 31 C ATOM 3523 CD BARG D 67 4.304 3.790 -29.725 0.50 34.54 C ANISOU 3523 CD BARG D 67 3923 4352 4848 -78 172 -76 C ATOM 3524 NE AARG D 67 4.456 2.638 -29.869 0.50 39.91 N ANISOU 3524 NE AARG D 67 4851 4932 5378 -38 61 -232 N ATOM 3525 NE BARG D 67 5.193 4.436 -28.766 0.50 39.67 N ANISOU 3525 NE BARG D 67 4711 5136 5224 -73 39 -241 N ATOM 3526 CZ AARG D 67 4.669 2.517 -31.182 0.50 44.82 C ANISOU 3526 CZ AARG D 67 5682 5640 5708 -39 -27 -86 C ATOM 3527 CZ BARG D 67 5.511 3.945 -27.576 0.50 43.50 C ANISOU 3527 CZ BARG D 67 5418 5503 5606 75 11 -48 C ATOM 3528 NH1AARG D 67 4.737 3.594 -31.961 0.50 46.32 N ANISOU 3528 NH1AARG D 67 5768 5820 6011 -154 -22 20 N ATOM 3529 NH1BARG D 67 6.322 4.630 -26.790 0.50 46.09 N ANISOU 3529 NH1BARG D 67 5759 5777 5974 -42 -25 -45 N ATOM 3530 NH2AARG D 67 4.796 1.314 -31.725 0.50 46.18 N ANISOU 3530 NH2AARG D 67 5860 5681 6002 -29 -51 -169 N ATOM 3531 NH2BARG D 67 5.039 2.770 -27.173 0.50 44.54 N ANISOU 3531 NH2BARG D 67 5426 5677 5819 -41 -2 -102 N ATOM 0 H AARG D 67 -0.138 3.883 -28.048 0.50 23.77 H new ATOM 0 H BARG D 67 -0.108 3.895 -28.041 0.50 23.77 H new ATOM 0 HA AARG D 67 0.419 4.627 -30.621 0.50 23.28 H new ATOM 0 HA BARG D 67 0.420 4.630 -30.619 0.50 23.28 H new ATOM 0 HB2AARG D 67 1.852 2.561 -29.363 0.50 25.78 H new ATOM 0 HB2BARG D 67 1.860 2.797 -29.017 0.50 25.78 H new ATOM 0 HB3AARG D 67 2.255 3.326 -30.661 0.50 25.78 H new ATOM 0 HB3BARG D 67 2.048 2.849 -30.565 0.50 25.78 H new ATOM 0 HG2AARG D 67 2.713 5.256 -29.206 0.50 29.91 H new ATOM 0 HG2BARG D 67 2.818 5.115 -30.299 0.50 29.91 H new ATOM 0 HG3AARG D 67 2.615 4.258 -28.012 0.50 29.91 H new ATOM 0 HG3BARG D 67 2.820 4.868 -28.760 0.50 29.91 H new ATOM 0 HD2AARG D 67 4.763 4.606 -29.688 0.50 34.54 H new ATOM 0 HD2BARG D 67 4.250 2.838 -29.545 0.50 34.54 H new ATOM 0 HD3AARG D 67 4.762 3.862 -28.317 0.50 34.54 H new ATOM 0 HD3BARG D 67 4.652 3.889 -30.625 0.50 34.54 H new ATOM 0 HE AARG D 67 4.399 1.918 -29.402 0.50 39.67 H new ATOM 0 HE BARG D 67 5.537 5.192 -28.989 0.50 39.67 H new ATOM 0 HH11AARG D 67 4.643 4.378 -31.620 0.50 46.09 H new ATOM 0 HH11BARG D 67 6.638 5.386 -27.052 0.50 46.09 H new ATOM 0 HH12AARG D 67 4.875 3.506 -32.805 0.50 46.09 H new ATOM 0 HH12BARG D 67 6.534 4.320 -26.016 0.50 46.09 H new ATOM 0 HH21AARG D 67 4.741 0.612 -31.232 0.50 44.54 H new ATOM 0 HH21BARG D 67 4.519 2.316 -27.687 0.50 44.54 H new ATOM 0 HH22AARG D 67 4.933 1.236 -32.570 0.50 44.54 H new ATOM 0 HH22BARG D 67 5.253 2.463 -26.399 0.50 44.54 H new ATOM 3532 N ALA D 68 -0.708 2.541 -31.602 1.00 19.59 N ANISOU 3532 N ALA D 68 1836 2372 3235 -416 -158 -201 N ATOM 3533 CA ALA D 68 -1.482 1.351 -32.027 1.00 17.70 C ANISOU 3533 CA ALA D 68 1640 2183 2901 -333 -181 -302 C ATOM 3534 C ALA D 68 -0.820 0.776 -33.246 1.00 18.96 C ANISOU 3534 C ALA D 68 1853 2462 2887 -259 -163 -58 C ATOM 3535 O ALA D 68 -0.485 1.506 -34.159 1.00 19.94 O ANISOU 3535 O ALA D 68 2008 2512 3053 -316 -49 -33 O ATOM 3536 CB ALA D 68 -2.912 1.718 -32.304 1.00 18.01 C ANISOU 3536 CB ALA D 68 1315 2379 3148 -294 -92 -122 C ATOM 0 H AALA D 68 -0.418 3.042 -32.238 0.50 19.59 H new ATOM 0 H BALA D 68 -0.391 3.024 -32.239 0.50 19.59 H new ATOM 0 HA ALA D 68 -1.493 0.688 -31.319 1.00 17.70 H new ATOM 0 HB1 ALA D 68 -3.401 0.927 -32.580 1.00 18.01 H new ATOM 0 HB2 ALA D 68 -3.314 2.082 -31.500 1.00 18.01 H new ATOM 0 HB3 ALA D 68 -2.945 2.382 -33.011 1.00 18.01 H new ATOM 3537 N CYS D 69 -0.589 -0.521 -33.256 1.00 18.08 N ANISOU 3537 N CYS D 69 1649 2257 2962 -348 -281 -85 N ATOM 3538 CA ACYS D 69 -0.002 -1.121 -34.426 0.30 20.08 C ANISOU 3538 CA ACYS D 69 1899 2636 3092 -259 -75 -21 C ATOM 3539 CA BCYS D 69 0.098 -1.204 -34.343 0.70 20.30 C ANISOU 3539 CA BCYS D 69 1669 2793 3248 -328 -198 40 C ATOM 3540 C CYS D 69 -0.670 -2.443 -34.696 1.00 17.74 C ANISOU 3540 C CYS D 69 1488 2427 2825 -298 136 -46 C ATOM 3541 O CYS D 69 -0.994 -3.169 -33.792 1.00 19.04 O ANISOU 3541 O CYS D 69 1975 2473 2783 -316 47 20 O ATOM 3542 CB ACYS D 69 1.496 -1.317 -34.237 0.30 21.10 C ANISOU 3542 CB ACYS D 69 1883 2845 3289 -346 -109 -79 C ATOM 3543 CB BCYS D 69 1.507 -1.681 -33.917 0.70 21.01 C ANISOU 3543 CB BCYS D 69 1436 3105 3442 -423 -284 15 C ATOM 3544 SG ACYS D 69 1.807 -2.108 -32.692 0.30 28.07 S ANISOU 3544 SG ACYS D 69 2844 3765 4055 103 15 139 S ATOM 3545 SG BCYS D 69 2.701 -0.353 -33.779 0.70 28.83 S ANISOU 3545 SG BCYS D 69 1256 4041 5656 -786 -741 326 S ATOM 0 H ACYS D 69 -0.761 -1.060 -32.609 0.30 18.08 H new ATOM 0 H BCYS D 69 -0.831 -1.045 -32.619 0.70 18.08 H new ATOM 0 HA ACYS D 69 -0.135 -0.530 -35.184 0.30 20.30 H new ATOM 0 HA BCYS D 69 0.167 -0.579 -35.082 0.70 20.30 H new ATOM 0 HB2ACYS D 69 1.854 -1.853 -34.962 0.30 21.01 H new ATOM 0 HB2BCYS D 69 1.442 -2.137 -33.063 0.70 21.01 H new ATOM 0 HB3ACYS D 69 1.949 -0.460 -34.268 0.30 21.01 H new ATOM 0 HB3BCYS D 69 1.829 -2.330 -34.562 0.70 21.01 H new ATOM 0 HG ACYS D 69 1.127 -1.605 -31.840 0.30 28.83 H new ATOM 0 HG BCYS D 69 2.785 -0.007 -32.633 0.70 28.83 H new ATOM 3546 N LEU D 70 -0.877 -2.696 -35.980 1.00 18.18 N ANISOU 3546 N LEU D 70 1337 2530 3040 -204 132 -95 N ATOM 3547 CA LEU D 70 -1.339 -4.024 -36.395 1.00 18.39 C ANISOU 3547 CA LEU D 70 1352 2651 2984 -262 111 -8 C ATOM 3548 C LEU D 70 -0.283 -5.010 -35.966 1.00 17.62 C ANISOU 3548 C LEU D 70 766 2693 3234 -215 158 -176 C ATOM 3549 O LEU D 70 0.952 -4.742 -36.106 1.00 21.58 O ANISOU 3549 O LEU D 70 1246 3013 3939 -450 0 -62 O ATOM 3550 CB LEU D 70 -1.429 -4.167 -37.871 1.00 19.82 C ANISOU 3550 CB LEU D 70 1175 3299 3056 -98 195 15 C ATOM 3551 CG LEU D 70 -2.629 -3.532 -38.512 1.00 20.91 C ANISOU 3551 CG LEU D 70 1583 3282 3079 -512 62 177 C ATOM 3552 CD1 LEU D 70 -2.527 -3.547 -40.025 1.00 22.68 C ANISOU 3552 CD1 LEU D 70 2176 3633 2806 -670 19 231 C ATOM 3553 CD2 LEU D 70 -3.875 -4.376 -38.132 1.00 18.41 C ANISOU 3553 CD2 LEU D 70 954 3138 2902 -415 204 223 C ATOM 0 H LEU D 70 -0.761 -2.131 -36.618 1.00 18.18 H new ATOM 0 HA LEU D 70 -2.215 -4.167 -36.004 1.00 18.39 H new ATOM 0 HB2 LEU D 70 -0.630 -3.784 -38.266 1.00 19.82 H new ATOM 0 HB3 LEU D 70 -1.428 -5.112 -38.089 1.00 19.82 H new ATOM 0 HG LEU D 70 -2.689 -2.614 -38.206 1.00 20.91 H new ATOM 0 HD11 LEU D 70 -3.316 -3.131 -40.407 1.00 22.68 H new ATOM 0 HD12 LEU D 70 -1.737 -3.056 -40.301 1.00 22.68 H new ATOM 0 HD13 LEU D 70 -2.463 -4.464 -40.336 1.00 22.68 H new ATOM 0 HD21 LEU D 70 -4.666 -3.985 -38.535 1.00 18.41 H new ATOM 0 HD22 LEU D 70 -3.762 -5.283 -38.456 1.00 18.41 H new ATOM 0 HD23 LEU D 70 -3.976 -4.387 -37.167 1.00 18.41 H new ATOM 3554 N THR D 71 -0.658 -6.193 -35.517 1.00 16.46 N ANISOU 3554 N THR D 71 397 2513 3344 -69 103 -158 N ATOM 3555 CA THR D 71 0.275 -7.229 -35.162 1.00 17.51 C ANISOU 3555 CA THR D 71 907 2678 3066 85 -141 -140 C ATOM 3556 C THR D 71 0.100 -8.427 -36.053 1.00 17.49 C ANISOU 3556 C THR D 71 1267 2450 2926 -52 -164 -150 C ATOM 3557 O THR D 71 0.655 -9.503 -35.787 1.00 20.15 O ANISOU 3557 O THR D 71 1973 2561 3121 213 77 -139 O ATOM 3558 CB THR D 71 0.152 -7.586 -33.701 1.00 17.72 C ANISOU 3558 CB THR D 71 821 2734 3175 -18 -123 -201 C ATOM 3559 OG1 THR D 71 -1.228 -7.794 -33.428 1.00 19.49 O ANISOU 3559 OG1 THR D 71 943 3244 3216 335 -137 157 O ATOM 3560 CG2 THR D 71 0.629 -6.435 -32.826 1.00 22.21 C ANISOU 3560 CG2 THR D 71 1937 3084 3418 -120 -289 -310 C ATOM 0 H THR D 71 -1.481 -6.417 -35.409 1.00 16.46 H new ATOM 0 HA THR D 71 1.176 -6.896 -35.299 1.00 17.51 H new ATOM 0 HB THR D 71 0.687 -8.373 -33.514 1.00 17.72 H new ATOM 0 HG1 THR D 71 -1.352 -8.593 -33.202 1.00 19.49 H new ATOM 0 HG21 THR D 71 0.543 -6.681 -31.892 1.00 22.21 H new ATOM 0 HG22 THR D 71 1.558 -6.241 -33.025 1.00 22.21 H new ATOM 0 HG23 THR D 71 0.090 -5.648 -33.003 1.00 22.21 H new ATOM 3561 N GLY D 72 -0.714 -8.267 -37.092 1.00 16.16 N ANISOU 3561 N GLY D 72 618 2493 3029 -20 -59 -35 N ATOM 3562 CA GLY D 72 -0.801 -9.236 -38.186 1.00 16.73 C ANISOU 3562 CA GLY D 72 1099 2383 2873 158 -112 -276 C ATOM 3563 C GLY D 72 -1.702 -8.648 -39.260 1.00 16.06 C ANISOU 3563 C GLY D 72 1118 2351 2633 -178 93 -162 C ATOM 3564 O GLY D 72 -2.178 -7.513 -39.104 1.00 18.76 O ANISOU 3564 O GLY D 72 1857 2292 2979 8 19 -212 O ATOM 0 H GLY D 72 -1.236 -7.589 -37.185 1.00 16.16 H new ATOM 0 HA2 GLY D 72 0.080 -9.421 -38.546 1.00 16.73 H new ATOM 0 HA3 GLY D 72 -1.160 -10.078 -37.866 1.00 16.73 H new ATOM 3565 N PRO D 73 -1.885 -9.354 -40.369 1.00 17.27 N ANISOU 3565 N PRO D 73 1646 2361 2555 81 225 -261 N ATOM 3566 CA PRO D 73 -2.649 -8.784 -41.479 1.00 16.62 C ANISOU 3566 CA PRO D 73 1348 2506 2458 65 152 -233 C ATOM 3567 C PRO D 73 -4.128 -8.643 -41.121 1.00 15.77 C ANISOU 3567 C PRO D 73 1393 2257 2343 -122 212 2 C ATOM 3568 O PRO D 73 -4.685 -9.363 -40.267 1.00 16.13 O ANISOU 3568 O PRO D 73 1666 2041 2420 -26 264 127 O ATOM 3569 CB PRO D 73 -2.534 -9.829 -42.609 1.00 19.12 C ANISOU 3569 CB PRO D 73 1894 2768 2602 340 54 -234 C ATOM 3570 CG PRO D 73 -2.042 -11.105 -41.876 1.00 20.38 C ANISOU 3570 CG PRO D 73 2463 2587 2691 131 -6 -380 C ATOM 3571 CD PRO D 73 -1.277 -10.681 -40.685 1.00 18.12 C ANISOU 3571 CD PRO D 73 1318 2669 2896 275 64 -432 C ATOM 0 HA PRO D 73 -2.314 -7.905 -41.714 1.00 16.62 H new ATOM 0 HB2 PRO D 73 -3.387 -9.976 -43.048 1.00 19.12 H new ATOM 0 HB3 PRO D 73 -1.908 -9.547 -43.294 1.00 19.12 H new ATOM 0 HG2 PRO D 73 -2.795 -11.658 -41.616 1.00 20.38 H new ATOM 0 HG3 PRO D 73 -1.486 -11.640 -42.463 1.00 20.38 H new ATOM 0 HD2 PRO D 73 -1.375 -11.307 -39.951 1.00 18.12 H new ATOM 0 HD3 PRO D 73 -0.328 -10.609 -40.872 1.00 18.12 H new ATOM 3572 N VAL D 74 -4.727 -7.710 -41.808 1.00 16.40 N ANISOU 3572 N VAL D 74 1681 2150 2399 -21 254 38 N ATOM 3573 CA VAL D 74 -6.198 -7.649 -41.781 1.00 16.52 C ANISOU 3573 CA VAL D 74 1793 2132 2350 108 181 -35 C ATOM 3574 C VAL D 74 -6.791 -8.870 -42.492 1.00 16.43 C ANISOU 3574 C VAL D 74 1900 1982 2359 236 144 -31 C ATOM 3575 O VAL D 74 -6.296 -9.231 -43.569 1.00 17.33 O ANISOU 3575 O VAL D 74 1720 2599 2264 -172 260 -246 O ATOM 3576 CB VAL D 74 -6.698 -6.355 -42.456 1.00 16.46 C ANISOU 3576 CB VAL D 74 1731 2016 2506 221 46 43 C ATOM 3577 CG1 VAL D 74 -8.261 -6.372 -42.473 1.00 17.24 C ANISOU 3577 CG1 VAL D 74 1840 2344 2365 162 93 174 C ATOM 3578 CG2 VAL D 74 -6.169 -5.098 -41.711 1.00 17.74 C ANISOU 3578 CG2 VAL D 74 1488 2421 2831 68 243 -92 C ATOM 0 H VAL D 74 -4.335 -7.113 -42.287 1.00 16.40 H new ATOM 0 HA VAL D 74 -6.488 -7.650 -40.855 1.00 16.52 H new ATOM 0 HB VAL D 74 -6.362 -6.314 -43.365 1.00 16.46 H new ATOM 0 HG11 VAL D 74 -8.589 -5.563 -42.895 1.00 17.24 H new ATOM 0 HG12 VAL D 74 -8.571 -7.145 -42.971 1.00 17.24 H new ATOM 0 HG13 VAL D 74 -8.594 -6.419 -41.563 1.00 17.24 H new ATOM 0 HG21 VAL D 74 -6.496 -4.299 -42.153 1.00 17.74 H new ATOM 0 HG22 VAL D 74 -6.482 -5.110 -40.793 1.00 17.74 H new ATOM 0 HG23 VAL D 74 -5.199 -5.099 -41.722 1.00 17.74 H new ATOM 3579 N ARG D 75 -7.815 -9.514 -41.892 1.00 15.50 N ANISOU 3579 N ARG D 75 1580 1949 2360 -25 139 -188 N ATOM 3580 CA ARG D 75 -8.541 -10.599 -42.554 1.00 15.51 C ANISOU 3580 CA ARG D 75 1458 2339 2096 180 79 -174 C ATOM 3581 C ARG D 75 -9.838 -10.041 -43.038 1.00 18.01 C ANISOU 3581 C ARG D 75 2084 2517 2242 402 -9 -266 C ATOM 3582 O ARG D 75 -10.602 -9.595 -42.262 1.00 21.72 O ANISOU 3582 O ARG D 75 2179 3739 2332 965 -245 -424 O ATOM 3583 CB ARG D 75 -8.818 -11.745 -41.593 1.00 15.92 C ANISOU 3583 CB ARG D 75 1301 2472 2274 22 210 -96 C ATOM 3584 CG ARG D 75 -7.661 -12.662 -41.328 1.00 14.95 C ANISOU 3584 CG ARG D 75 919 2221 2538 22 -58 -151 C ATOM 3585 CD ARG D 75 -6.432 -12.045 -40.642 1.00 15.09 C ANISOU 3585 CD ARG D 75 874 2278 2579 -129 -98 -19 C ATOM 3586 NE ARG D 75 -5.578 -13.142 -40.146 1.00 15.62 N ANISOU 3586 NE ARG D 75 1082 2358 2494 51 -101 -109 N ATOM 3587 CZ ARG D 75 -4.551 -13.008 -39.324 1.00 15.62 C ANISOU 3587 CZ ARG D 75 1413 2154 2366 -269 8 54 C ATOM 3588 NH1 ARG D 75 -4.117 -11.795 -38.960 1.00 16.96 N ANISOU 3588 NH1 ARG D 75 1579 2123 2739 -255 371 -265 N ATOM 3589 NH2 ARG D 75 -3.992 -14.119 -38.811 1.00 17.05 N ANISOU 3589 NH2 ARG D 75 1634 2307 2534 140 23 63 N ATOM 0 H ARG D 75 -8.098 -9.330 -41.101 1.00 15.50 H new ATOM 0 HA ARG D 75 -8.007 -10.947 -43.285 1.00 15.51 H new ATOM 0 HB2 ARG D 75 -9.115 -11.373 -40.748 1.00 15.92 H new ATOM 0 HB3 ARG D 75 -9.553 -12.271 -41.945 1.00 15.92 H new ATOM 0 HG2 ARG D 75 -7.977 -13.397 -40.779 1.00 14.95 H new ATOM 0 HG3 ARG D 75 -7.376 -13.042 -42.174 1.00 14.95 H new ATOM 0 HD2 ARG D 75 -5.940 -11.490 -41.267 1.00 15.09 H new ATOM 0 HD3 ARG D 75 -6.706 -11.472 -39.909 1.00 15.09 H new ATOM 0 HE ARG D 75 -5.765 -13.937 -40.415 1.00 15.62 H new ATOM 0 HH11 ARG D 75 -4.507 -11.090 -39.261 1.00 16.96 H new ATOM 0 HH12 ARG D 75 -3.448 -11.720 -38.425 1.00 16.96 H new ATOM 0 HH21 ARG D 75 -4.304 -14.893 -39.020 1.00 17.05 H new ATOM 0 HH22 ARG D 75 -3.323 -14.055 -38.274 1.00 17.05 H new ATOM 3590 N ALA D 76 -10.038 -9.981 -44.333 1.00 19.05 N ANISOU 3590 N ALA D 76 2148 2849 2241 413 -84 -277 N ATOM 3591 CA ALA D 76 -11.276 -9.351 -44.856 1.00 19.70 C ANISOU 3591 CA ALA D 76 2337 2833 2314 270 -320 -261 C ATOM 3592 C ALA D 76 -12.106 -10.417 -45.496 1.00 21.45 C ANISOU 3592 C ALA D 76 2737 2797 2616 363 -217 -512 C ATOM 3593 O ALA D 76 -11.561 -11.325 -46.134 1.00 26.28 O ANISOU 3593 O ALA D 76 2925 3571 3487 305 -270 -676 O ATOM 3594 CB ALA D 76 -10.869 -8.305 -45.921 1.00 21.88 C ANISOU 3594 CB ALA D 76 2669 2982 2661 256 -203 -189 C ATOM 0 H ALA D 76 -9.498 -10.284 -44.930 1.00 19.05 H new ATOM 0 HA ALA D 76 -11.779 -8.922 -44.146 1.00 19.70 H new ATOM 0 HB1 ALA D 76 -11.664 -7.880 -46.278 1.00 21.88 H new ATOM 0 HB2 ALA D 76 -10.299 -7.634 -45.514 1.00 21.88 H new ATOM 0 HB3 ALA D 76 -10.388 -8.745 -46.640 1.00 21.88 H new ATOM 3595 N SER D 77 -13.412 -10.270 -45.456 1.00 23.08 N ANISOU 3595 N SER D 77 2660 3068 3041 -56 -294 -553 N ATOM 3596 CA SER D 77 -14.357 -11.162 -46.123 1.00 24.93 C ANISOU 3596 CA SER D 77 2997 3265 3209 -13 -92 -490 C ATOM 3597 C SER D 77 -14.828 -10.530 -47.410 1.00 26.44 C ANISOU 3597 C SER D 77 3227 3514 3303 -14 -160 -484 C ATOM 3598 O SER D 77 -14.442 -9.408 -47.750 1.00 28.01 O ANISOU 3598 O SER D 77 3377 3870 3395 5 -324 -300 O ATOM 3599 CB SER D 77 -15.606 -11.334 -45.239 1.00 26.25 C ANISOU 3599 CB SER D 77 2945 3543 3483 104 10 -490 C ATOM 3600 OG SER D 77 -16.428 -10.157 -45.306 1.00 29.82 O ANISOU 3600 OG SER D 77 3778 3709 3844 256 -225 -557 O ATOM 0 H SER D 77 -13.794 -9.630 -45.028 1.00 23.08 H new ATOM 0 HA SER D 77 -13.917 -12.010 -46.288 1.00 24.93 H new ATOM 0 HB2 SER D 77 -16.113 -12.108 -45.531 1.00 26.25 H new ATOM 0 HB3 SER D 77 -15.340 -11.499 -44.321 1.00 26.25 H new ATOM 0 HG SER D 77 -17.191 -10.330 -45.000 1.00 29.82 H new ATOM 3601 N HIS D 78 -15.748 -11.222 -48.074 1.00 27.48 N ANISOU 3601 N HIS D 78 3267 3924 3250 196 -57 -658 N ATOM 3602 CA HIS D 78 -16.368 -10.714 -49.285 1.00 28.23 C ANISOU 3602 CA HIS D 78 3371 4007 3347 319 -127 -616 C ATOM 3603 C HIS D 78 -17.756 -10.120 -49.036 1.00 28.72 C ANISOU 3603 C HIS D 78 3223 4299 3389 290 -187 -464 C ATOM 3604 O HIS D 78 -18.499 -9.802 -49.975 1.00 32.11 O ANISOU 3604 O HIS D 78 3467 4724 4008 439 -422 -526 O ATOM 3605 CB HIS D 78 -16.402 -11.818 -50.338 1.00 28.80 C ANISOU 3605 CB HIS D 78 3679 4025 3240 116 104 -606 C ATOM 3606 CG HIS D 78 -15.057 -12.044 -50.945 1.00 28.61 C ANISOU 3606 CG HIS D 78 3667 3947 3256 383 -7 -424 C ATOM 3607 ND1 HIS D 78 -14.361 -11.046 -51.603 1.00 30.67 N ANISOU 3607 ND1 HIS D 78 3499 4146 4005 411 -38 -337 N ATOM 3608 CD2 HIS D 78 -14.246 -13.121 -50.935 1.00 29.71 C ANISOU 3608 CD2 HIS D 78 3341 4257 3688 291 -94 59 C ATOM 3609 CE1 HIS D 78 -13.192 -11.517 -52.000 1.00 31.30 C ANISOU 3609 CE1 HIS D 78 3976 4070 3845 393 48 -288 C ATOM 3610 NE2 HIS D 78 -13.111 -12.774 -51.617 1.00 29.94 N ANISOU 3610 NE2 HIS D 78 3709 4335 3332 268 -109 -47 N ATOM 0 H HIS D 78 -16.028 -11.999 -47.833 1.00 27.48 H new ATOM 0 HA HIS D 78 -15.828 -9.978 -49.614 1.00 28.23 H new ATOM 0 HB2 HIS D 78 -16.717 -12.641 -49.934 1.00 28.80 H new ATOM 0 HB3 HIS D 78 -17.036 -11.583 -51.034 1.00 28.80 H new ATOM 0 HD2 HIS D 78 -14.424 -13.944 -50.540 1.00 29.71 H new ATOM 0 HE1 HIS D 78 -12.542 -11.044 -52.467 1.00 31.30 H new ATOM 0 HE2 HIS D 78 -12.446 -13.297 -51.772 1.00 29.94 H new ATOM 3611 N ASN D 79 -18.089 -9.909 -47.784 1.00 29.58 N ANISOU 3611 N ASN D 79 3195 4151 3891 289 -87 -677 N ATOM 3612 CA ASN D 79 -19.390 -9.282 -47.517 1.00 29.83 C ANISOU 3612 CA ASN D 79 3243 4278 3811 282 -226 -586 C ATOM 3613 C ASN D 79 -19.229 -8.064 -46.629 1.00 27.46 C ANISOU 3613 C ASN D 79 2987 3923 3524 216 -321 -625 C ATOM 3614 O ASN D 79 -20.102 -7.768 -45.796 1.00 28.86 O ANISOU 3614 O ASN D 79 2499 4572 3893 238 -595 -634 O ATOM 3615 CB ASN D 79 -20.359 -10.309 -46.953 1.00 31.35 C ANISOU 3615 CB ASN D 79 3553 4264 4094 132 -75 -502 C ATOM 3616 CG ASN D 79 -20.000 -10.851 -45.580 1.00 35.23 C ANISOU 3616 CG ASN D 79 4014 4848 4522 95 -63 -272 C ATOM 3617 OD1 ASN D 79 -18.827 -10.527 -45.055 1.00 45.21 O flip ANISOU 3617 OD1 ASN D 79 5711 5744 5720 -80 164 10 O ATOM 3618 ND2 ASN D 79 -20.822 -11.572 -44.983 1.00 38.91 N flip ANISOU 3618 ND2 ASN D 79 4438 5348 4997 145 45 -306 N ATOM 0 H ASN D 79 -17.613 -10.105 -47.095 1.00 29.58 H new ATOM 0 HA ASN D 79 -19.771 -8.961 -48.349 1.00 29.83 H new ATOM 0 HB2 ASN D 79 -21.241 -9.909 -46.906 1.00 31.35 H new ATOM 0 HB3 ASN D 79 -20.417 -11.052 -47.573 1.00 31.35 H new ATOM 0 HD21 ASN D 79 -21.575 -11.763 -45.353 1.00 38.91 H new ATOM 0 HD22 ASN D 79 -20.637 -11.879 -44.201 1.00 38.91 H new ATOM 3619 N GLY D 80 -18.116 -7.356 -46.792 1.00 25.12 N ANISOU 3619 N GLY D 80 2657 3741 3143 423 -784 -512 N ATOM 3620 CA GLY D 80 -17.969 -6.054 -46.156 1.00 23.65 C ANISOU 3620 CA GLY D 80 2631 3343 3012 493 -716 -530 C ATOM 3621 C GLY D 80 -17.613 -6.159 -44.687 1.00 23.33 C ANISOU 3621 C GLY D 80 2854 3043 2966 483 -550 -553 C ATOM 3622 O GLY D 80 -17.787 -5.216 -43.957 1.00 24.12 O ANISOU 3622 O GLY D 80 3149 3078 2934 773 -665 -704 O ATOM 0 H GLY D 80 -17.441 -7.609 -47.262 1.00 25.12 H new ATOM 0 HA2 GLY D 80 -17.281 -5.549 -46.617 1.00 23.65 H new ATOM 0 HA3 GLY D 80 -18.797 -5.557 -46.250 1.00 23.65 H new ATOM 3623 N CYS D 81 -17.031 -7.269 -44.268 1.00 22.08 N ANISOU 3623 N CYS D 81 2508 2977 2905 384 -827 -564 N ATOM 3624 CA CYS D 81 -16.555 -7.412 -42.903 1.00 20.74 C ANISOU 3624 CA CYS D 81 2123 3008 2747 426 -455 -349 C ATOM 3625 C CYS D 81 -15.078 -7.736 -42.863 1.00 18.18 C ANISOU 3625 C CYS D 81 1816 2697 2395 577 -320 -331 C ATOM 3626 O CYS D 81 -14.468 -8.183 -43.829 1.00 20.40 O ANISOU 3626 O CYS D 81 2206 3094 2451 303 -611 -608 O ATOM 3627 CB CYS D 81 -17.293 -8.502 -42.151 1.00 24.46 C ANISOU 3627 CB CYS D 81 2373 3596 3323 320 -451 -184 C ATOM 3628 SG CYS D 81 -19.102 -8.230 -42.047 1.00 33.18 S ANISOU 3628 SG CYS D 81 2542 4495 5567 -43 -392 -483 S ATOM 0 H CYS D 81 -16.900 -7.959 -44.764 1.00 22.08 H new ATOM 0 HA CYS D 81 -16.721 -6.557 -42.476 1.00 20.74 H new ATOM 0 HB2 CYS D 81 -17.126 -9.353 -42.585 1.00 24.46 H new ATOM 0 HB3 CYS D 81 -16.931 -8.566 -41.253 1.00 24.46 H new ATOM 0 HG CYS D 81 -19.649 -8.833 -42.928 1.00 33.18 H new ATOM 3629 N GLY D 82 -14.472 -7.422 -41.734 1.00 16.67 N ANISOU 3629 N GLY D 82 1483 2742 2109 517 -235 -249 N ATOM 3630 CA GLY D 82 -13.107 -7.821 -41.579 1.00 16.52 C ANISOU 3630 CA GLY D 82 1325 2687 2265 599 -247 -263 C ATOM 3631 C GLY D 82 -12.805 -7.914 -40.125 1.00 15.28 C ANISOU 3631 C GLY D 82 1367 2413 2025 309 -436 -276 C ATOM 3632 O GLY D 82 -13.500 -7.459 -39.243 1.00 14.86 O ANISOU 3632 O GLY D 82 916 2561 2168 156 -305 -308 O ATOM 0 H GLY D 82 -14.822 -6.996 -41.074 1.00 16.67 H new ATOM 0 HA2 GLY D 82 -12.955 -8.676 -42.010 1.00 16.52 H new ATOM 0 HA3 GLY D 82 -12.518 -7.179 -42.005 1.00 16.52 H new ATOM 3633 N ALA D 83 -11.637 -8.491 -39.880 1.00 14.82 N ANISOU 3633 N ALA D 83 1212 2323 2094 245 -423 -165 N ATOM 3634 CA ALA D 83 -11.038 -8.686 -38.534 1.00 12.94 C ANISOU 3634 CA ALA D 83 794 2086 2036 56 -350 -197 C ATOM 3635 C ALA D 83 -9.541 -8.428 -38.505 1.00 11.63 C ANISOU 3635 C ALA D 83 526 2042 1849 18 -301 -63 C ATOM 3636 O ALA D 83 -8.905 -8.728 -39.494 1.00 14.56 O ANISOU 3636 O ALA D 83 1292 2348 1891 96 16 -393 O ATOM 3637 CB ALA D 83 -11.373 -10.106 -37.975 1.00 14.13 C ANISOU 3637 CB ALA D 83 978 2059 2332 -161 -163 -176 C ATOM 0 H ALA D 83 -11.139 -8.798 -40.511 1.00 14.82 H new ATOM 0 HA ALA D 83 -11.441 -8.020 -37.955 1.00 12.94 H new ATOM 0 HB1 ALA D 83 -10.973 -10.211 -37.098 1.00 14.13 H new ATOM 0 HB2 ALA D 83 -12.335 -10.208 -37.906 1.00 14.13 H new ATOM 0 HB3 ALA D 83 -11.019 -10.782 -38.574 1.00 14.13 H new ATOM 3638 N MET D 84 -9.087 -7.856 -37.407 1.00 12.48 N ANISOU 3638 N MET D 84 965 1909 1866 -109 -98 -179 N ATOM 3639 CA MET D 84 -7.637 -7.572 -37.391 1.00 12.57 C ANISOU 3639 CA MET D 84 716 2078 1980 -160 -103 -58 C ATOM 3640 C MET D 84 -7.161 -7.678 -35.983 1.00 12.98 C ANISOU 3640 C MET D 84 850 2120 1960 67 199 -122 C ATOM 3641 O MET D 84 -7.864 -7.327 -35.033 1.00 13.79 O ANISOU 3641 O MET D 84 1062 2088 2088 88 -16 -85 O ATOM 3642 CB MET D 84 -7.383 -6.199 -37.950 1.00 14.08 C ANISOU 3642 CB MET D 84 1054 1983 2312 -352 119 -125 C ATOM 3643 CG MET D 84 -7.942 -5.076 -37.068 1.00 15.20 C ANISOU 3643 CG MET D 84 1175 2162 2439 -2 -20 -59 C ATOM 3644 SD MET D 84 -7.656 -3.494 -37.931 1.00 17.18 S ANISOU 3644 SD MET D 84 1632 2232 2662 -133 -257 41 S ATOM 3645 CE MET D 84 -8.877 -2.521 -37.097 1.00 18.40 C ANISOU 3645 CE MET D 84 1520 2583 2886 196 -21 112 C ATOM 0 H MET D 84 -9.541 -7.635 -36.711 1.00 12.48 H new ATOM 0 HA MET D 84 -7.154 -8.208 -37.942 1.00 12.57 H new ATOM 0 HB2 MET D 84 -6.428 -6.072 -38.059 1.00 14.08 H new ATOM 0 HB3 MET D 84 -7.780 -6.137 -38.833 1.00 14.08 H new ATOM 0 HG2 MET D 84 -8.889 -5.209 -36.908 1.00 15.20 H new ATOM 0 HG3 MET D 84 -7.505 -5.075 -36.202 1.00 15.20 H new ATOM 0 HE1 MET D 84 -9.451 -2.092 -37.751 1.00 18.40 H new ATOM 0 HE2 MET D 84 -9.411 -3.093 -36.525 1.00 18.40 H new ATOM 0 HE3 MET D 84 -8.439 -1.844 -36.558 1.00 18.40 H new ATOM 3646 N PRO D 85 -5.925 -8.118 -35.867 1.00 12.94 N ANISOU 3646 N PRO D 85 623 2166 2125 -174 -40 -74 N ATOM 3647 CA PRO D 85 -5.236 -8.129 -34.540 1.00 13.65 C ANISOU 3647 CA PRO D 85 912 1991 2281 -36 -188 -80 C ATOM 3648 C PRO D 85 -4.305 -6.906 -34.405 1.00 12.96 C ANISOU 3648 C PRO D 85 963 2010 1951 -296 -75 -75 C ATOM 3649 O PRO D 85 -3.581 -6.577 -35.348 1.00 13.33 O ANISOU 3649 O PRO D 85 708 2182 2172 -197 -35 -90 O ATOM 3650 CB PRO D 85 -4.408 -9.429 -34.580 1.00 13.96 C ANISOU 3650 CB PRO D 85 823 2219 2261 -27 -264 -133 C ATOM 3651 CG PRO D 85 -3.982 -9.492 -36.041 1.00 15.51 C ANISOU 3651 CG PRO D 85 1032 2196 2662 56 79 49 C ATOM 3652 CD PRO D 85 -5.002 -8.702 -36.885 1.00 13.50 C ANISOU 3652 CD PRO D 85 612 2250 2263 310 216 -56 C ATOM 0 HA PRO D 85 -5.852 -8.090 -33.792 1.00 13.65 H new ATOM 0 HB2 PRO D 85 -3.646 -9.392 -33.981 1.00 13.96 H new ATOM 0 HB3 PRO D 85 -4.934 -10.202 -34.322 1.00 13.96 H new ATOM 0 HG2 PRO D 85 -3.094 -9.118 -36.149 1.00 15.51 H new ATOM 0 HG3 PRO D 85 -3.940 -10.414 -36.340 1.00 15.51 H new ATOM 0 HD2 PRO D 85 -4.570 -8.012 -37.412 1.00 13.50 H new ATOM 0 HD3 PRO D 85 -5.474 -9.279 -37.505 1.00 13.50 H new ATOM 3653 N PHE D 86 -4.331 -6.334 -33.212 1.00 14.35 N ANISOU 3653 N PHE D 86 1207 2040 2204 -352 -187 -43 N ATOM 3654 CA PHE D 86 -3.450 -5.179 -32.984 1.00 14.57 C ANISOU 3654 CA PHE D 86 1439 2073 2022 -187 -261 -14 C ATOM 3655 C PHE D 86 -3.127 -5.050 -31.552 1.00 13.79 C ANISOU 3655 C PHE D 86 771 2193 2274 -166 -210 -100 C ATOM 3656 O PHE D 86 -3.677 -5.744 -30.672 1.00 14.99 O ANISOU 3656 O PHE D 86 993 2557 2143 -115 -96 111 O ATOM 3657 CB PHE D 86 -4.126 -3.904 -33.588 1.00 14.36 C ANISOU 3657 CB PHE D 86 817 2131 2507 51 -155 -53 C ATOM 3658 CG PHE D 86 -5.431 -3.489 -32.967 1.00 14.42 C ANISOU 3658 CG PHE D 86 1095 2178 2203 268 -47 47 C ATOM 3659 CD1 PHE D 86 -6.706 -4.074 -33.286 1.00 15.47 C ANISOU 3659 CD1 PHE D 86 966 2530 2382 -169 -4 257 C ATOM 3660 CD2 PHE D 86 -5.429 -2.462 -32.043 1.00 16.44 C ANISOU 3660 CD2 PHE D 86 1193 2420 2630 106 58 -203 C ATOM 3661 CE1 PHE D 86 -7.863 -3.635 -32.741 1.00 16.35 C ANISOU 3661 CE1 PHE D 86 1356 2650 2206 33 274 -3 C ATOM 3662 CE2 PHE D 86 -6.598 -2.020 -31.478 1.00 16.64 C ANISOU 3662 CE2 PHE D 86 1230 2681 2411 362 -260 -202 C ATOM 3663 CZ PHE D 86 -7.848 -2.594 -31.869 1.00 17.50 C ANISOU 3663 CZ PHE D 86 1128 2778 2742 111 -41 -257 C ATOM 0 H PHE D 86 -4.820 -6.576 -32.547 1.00 14.35 H new ATOM 0 HA PHE D 86 -2.600 -5.302 -33.435 1.00 14.57 H new ATOM 0 HB2 PHE D 86 -3.503 -3.164 -33.513 1.00 14.36 H new ATOM 0 HB3 PHE D 86 -4.273 -4.056 -34.535 1.00 14.36 H new ATOM 0 HD1 PHE D 86 -6.736 -4.781 -33.890 1.00 15.47 H new ATOM 0 HD2 PHE D 86 -4.624 -2.065 -31.801 1.00 16.44 H new ATOM 0 HE1 PHE D 86 -8.668 -4.045 -32.963 1.00 16.35 H new ATOM 0 HE2 PHE D 86 -6.578 -1.345 -30.839 1.00 16.64 H new ATOM 0 HZ PHE D 86 -8.645 -2.257 -31.529 1.00 17.50 H new ATOM 3664 N ARG D 87 -2.177 -4.149 -31.293 1.00 16.70 N ANISOU 3664 N ARG D 87 1647 2282 2413 -368 -483 -182 N ATOM 3665 CA ARG D 87 -1.788 -3.894 -29.954 1.00 17.48 C ANISOU 3665 CA ARG D 87 1550 2528 2563 -67 -576 -238 C ATOM 3666 C ARG D 87 -1.863 -2.369 -29.723 1.00 17.96 C ANISOU 3666 C ARG D 87 1943 2365 2513 -332 -543 -206 C ATOM 3667 O ARG D 87 -1.436 -1.601 -30.586 1.00 19.65 O ANISOU 3667 O ARG D 87 2333 2347 2784 -507 -394 -76 O ATOM 3668 CB ARG D 87 -0.357 -4.362 -29.746 1.00 20.68 C ANISOU 3668 CB ARG D 87 2016 3013 2827 -169 -566 -145 C ATOM 3669 CG ARG D 87 0.296 -4.048 -28.369 1.00 21.96 C ANISOU 3669 CG ARG D 87 1706 3589 3047 -225 -802 -324 C ATOM 3670 CD ARG D 87 1.666 -4.789 -28.317 1.00 25.17 C ANISOU 3670 CD ARG D 87 1998 3937 3627 115 -484 14 C ATOM 3671 NE ARG D 87 1.398 -6.055 -27.644 1.00 34.88 N ANISOU 3671 NE ARG D 87 3728 4645 4880 156 -247 -26 N ATOM 3672 CZ ARG D 87 2.252 -6.690 -26.858 1.00 38.17 C ANISOU 3672 CZ ARG D 87 4324 5178 5000 -94 -420 149 C ATOM 3673 NH1 ARG D 87 3.498 -6.227 -26.696 1.00 38.79 N ANISOU 3673 NH1 ARG D 87 3930 5208 5596 -380 -414 -41 N ATOM 3674 NH2 ARG D 87 1.890 -7.823 -26.298 1.00 38.70 N ANISOU 3674 NH2 ARG D 87 4485 5110 5107 -88 -206 205 N ATOM 0 H ARG D 87 -1.761 -3.689 -31.889 1.00 16.70 H new ATOM 0 HA ARG D 87 -2.369 -4.364 -29.335 1.00 17.48 H new ATOM 0 HB2 ARG D 87 -0.332 -5.322 -29.880 1.00 20.68 H new ATOM 0 HB3 ARG D 87 0.194 -3.965 -30.438 1.00 20.68 H new ATOM 0 HG2 ARG D 87 0.421 -3.092 -28.261 1.00 21.96 H new ATOM 0 HG3 ARG D 87 -0.278 -4.342 -27.645 1.00 21.96 H new ATOM 0 HD2 ARG D 87 2.018 -4.935 -29.209 1.00 25.17 H new ATOM 0 HD3 ARG D 87 2.326 -4.269 -27.833 1.00 25.17 H new ATOM 0 HE ARG D 87 0.627 -6.416 -27.767 1.00 34.88 H new ATOM 0 HH11 ARG D 87 3.748 -5.512 -27.104 1.00 38.79 H new ATOM 0 HH12 ARG D 87 4.049 -6.644 -26.184 1.00 38.79 H new ATOM 0 HH21 ARG D 87 1.106 -8.144 -26.444 1.00 38.70 H new ATOM 0 HH22 ARG D 87 2.438 -8.244 -25.785 1.00 38.70 H new ATOM 3675 N VAL D 88 -2.372 -1.984 -28.567 1.00 18.01 N ANISOU 3675 N VAL D 88 1912 2229 2699 -476 -452 -408 N ATOM 3676 CA VAL D 88 -2.434 -0.557 -28.210 1.00 19.98 C ANISOU 3676 CA VAL D 88 2196 2625 2767 -245 -608 -385 C ATOM 3677 C VAL D 88 -1.533 -0.399 -27.008 1.00 22.04 C ANISOU 3677 C VAL D 88 2819 2689 2865 -518 -544 -295 C ATOM 3678 O VAL D 88 -1.586 -1.178 -26.060 1.00 22.36 O ANISOU 3678 O VAL D 88 2652 2893 2951 -778 -846 -189 O ATOM 3679 CB VAL D 88 -3.878 -0.168 -27.739 1.00 21.60 C ANISOU 3679 CB VAL D 88 2375 2725 3105 -173 -482 -542 C ATOM 3680 CG1 VAL D 88 -3.937 1.258 -27.333 1.00 26.80 C ANISOU 3680 CG1 VAL D 88 3496 3098 3586 -326 -537 -581 C ATOM 3681 CG2 VAL D 88 -4.944 -0.426 -28.848 1.00 24.96 C ANISOU 3681 CG2 VAL D 88 2934 3492 3057 -157 -594 -218 C ATOM 0 H VAL D 88 -2.687 -2.519 -27.972 1.00 18.01 H new ATOM 0 HA VAL D 88 -2.183 -0.008 -28.970 1.00 19.98 H new ATOM 0 HB VAL D 88 -4.082 -0.733 -26.977 1.00 21.60 H new ATOM 0 HG11 VAL D 88 -4.838 1.476 -27.046 1.00 26.80 H new ATOM 0 HG12 VAL D 88 -3.319 1.412 -26.602 1.00 26.80 H new ATOM 0 HG13 VAL D 88 -3.693 1.819 -28.086 1.00 26.80 H new ATOM 0 HG21 VAL D 88 -5.821 -0.174 -28.519 1.00 24.96 H new ATOM 0 HG22 VAL D 88 -4.729 0.102 -29.633 1.00 24.96 H new ATOM 0 HG23 VAL D 88 -4.946 -1.367 -29.083 1.00 24.96 H new ATOM 3682 N GLU D 89 -0.680 0.619 -27.068 1.00 22.51 N ANISOU 3682 N GLU D 89 2632 2785 3135 -678 -562 -204 N ATOM 3683 CA GLU D 89 0.217 0.879 -25.927 1.00 25.58 C ANISOU 3683 CA GLU D 89 3042 3164 3512 -461 -374 -324 C ATOM 3684 C GLU D 89 -0.158 2.230 -25.361 1.00 26.07 C ANISOU 3684 C GLU D 89 3156 3158 3592 -508 -487 -279 C ATOM 3685 O GLU D 89 -0.358 3.162 -26.075 1.00 25.74 O ANISOU 3685 O GLU D 89 3468 2849 3462 -563 -609 -440 O ATOM 3686 CB GLU D 89 1.670 0.865 -26.404 1.00 25.94 C ANISOU 3686 CB GLU D 89 2745 3436 3675 -710 -427 -191 C ATOM 3687 CG GLU D 89 2.137 -0.547 -26.655 1.00 32.22 C ANISOU 3687 CG GLU D 89 3905 4113 4224 -288 -186 -210 C ATOM 3688 CD GLU D 89 3.601 -0.679 -26.900 1.00 40.61 C ANISOU 3688 CD GLU D 89 4737 5324 5369 26 5 73 C ATOM 3689 OE1 GLU D 89 4.173 0.139 -27.649 1.00 43.66 O ANISOU 3689 OE1 GLU D 89 5169 5668 5751 -83 36 80 O ATOM 3690 OE2 GLU D 89 4.183 -1.623 -26.328 1.00 48.43 O ANISOU 3690 OE2 GLU D 89 5988 6032 6378 180 100 172 O ATOM 0 H GLU D 89 -0.600 1.159 -27.733 1.00 22.51 H new ATOM 0 HA GLU D 89 0.127 0.198 -25.242 1.00 25.58 H new ATOM 0 HB2 GLU D 89 1.753 1.387 -27.217 1.00 25.94 H new ATOM 0 HB3 GLU D 89 2.237 1.284 -25.738 1.00 25.94 H new ATOM 0 HG2 GLU D 89 1.898 -1.095 -25.892 1.00 32.22 H new ATOM 0 HG3 GLU D 89 1.659 -0.902 -27.421 1.00 32.22 H new ATOM 3691 N MET D 90 -0.236 2.295 -24.056 1.00 29.24 N ANISOU 3691 N MET D 90 3671 3524 3914 -374 -248 -338 N ATOM 3692 CA MET D 90 -0.693 3.500 -23.391 1.00 33.67 C ANISOU 3692 CA MET D 90 4400 4071 4319 -153 -217 -255 C ATOM 3693 C MET D 90 0.006 3.563 -22.057 1.00 34.98 C ANISOU 3693 C MET D 90 4593 4237 4458 -129 -273 -247 C ATOM 3694 O MET D 90 0.763 2.655 -21.696 1.00 35.44 O ANISOU 3694 O MET D 90 4588 4433 4442 -186 -523 -302 O ATOM 3695 CB MET D 90 -2.210 3.426 -23.190 1.00 34.55 C ANISOU 3695 CB MET D 90 4485 4279 4363 11 -139 -334 C ATOM 3696 CG MET D 90 -2.652 2.220 -22.354 1.00 39.48 C ANISOU 3696 CG MET D 90 5002 5103 4893 -159 -46 -78 C ATOM 3697 SD MET D 90 -2.894 0.702 -23.330 1.00 49.45 S ANISOU 3697 SD MET D 90 6135 6387 6265 -93 -35 -403 S ATOM 3698 CE MET D 90 -4.682 0.681 -23.463 1.00 48.30 C ANISOU 3698 CE MET D 90 5970 6416 5965 42 12 -74 C ATOM 0 H MET D 90 -0.029 1.650 -23.527 1.00 29.24 H new ATOM 0 HA MET D 90 -0.494 4.290 -23.917 1.00 33.67 H new ATOM 0 HB2 MET D 90 -2.513 4.240 -22.758 1.00 34.55 H new ATOM 0 HB3 MET D 90 -2.643 3.387 -24.057 1.00 34.55 H new ATOM 0 HG2 MET D 90 -1.988 2.051 -21.668 1.00 39.48 H new ATOM 0 HG3 MET D 90 -3.481 2.438 -21.899 1.00 39.48 H new ATOM 0 HE1 MET D 90 -4.940 0.251 -24.294 1.00 48.30 H new ATOM 0 HE2 MET D 90 -5.057 0.189 -22.715 1.00 48.30 H new ATOM 0 HE3 MET D 90 -5.018 1.591 -23.452 1.00 48.30 H new ATOM 3699 N VAL D 91 -0.299 4.613 -21.318 1.00 37.89 N ANISOU 3699 N VAL D 91 5022 4710 4662 -112 -223 -217 N ATOM 3700 CA VAL D 91 0.236 4.837 -19.997 1.00 40.36 C ANISOU 3700 CA VAL D 91 5281 5122 4928 -34 -174 -171 C ATOM 3701 C VAL D 91 -0.965 4.919 -19.111 1.00 41.31 C ANISOU 3701 C VAL D 91 5426 5238 5029 0 -136 -190 C ATOM 3702 O VAL D 91 -1.899 5.676 -19.397 1.00 42.64 O ANISOU 3702 O VAL D 91 5715 5300 5187 128 -151 -175 O ATOM 3703 CB VAL D 91 1.046 6.136 -19.937 1.00 40.20 C ANISOU 3703 CB VAL D 91 5319 5026 4928 -29 -83 -177 C ATOM 3704 CG1 VAL D 91 1.188 6.606 -18.504 1.00 42.11 C ANISOU 3704 CG1 VAL D 91 5565 5312 5121 16 -148 -171 C ATOM 3705 CG2 VAL D 91 2.429 5.900 -20.512 1.00 41.94 C ANISOU 3705 CG2 VAL D 91 5355 5403 5177 -74 -84 -210 C ATOM 0 H VAL D 91 -0.838 5.230 -21.580 1.00 37.89 H new ATOM 0 HA VAL D 91 0.845 4.131 -19.729 1.00 40.36 H new ATOM 0 HB VAL D 91 0.580 6.813 -20.452 1.00 40.20 H new ATOM 0 HG11 VAL D 91 1.702 7.428 -18.482 1.00 42.11 H new ATOM 0 HG12 VAL D 91 0.309 6.765 -18.127 1.00 42.11 H new ATOM 0 HG13 VAL D 91 1.644 5.926 -17.984 1.00 42.11 H new ATOM 0 HG21 VAL D 91 2.941 6.723 -20.473 1.00 41.94 H new ATOM 0 HG22 VAL D 91 2.881 5.214 -19.996 1.00 41.94 H new ATOM 0 HG23 VAL D 91 2.351 5.611 -21.435 1.00 41.94 H new ATOM 3706 N TRP D 92 -0.974 4.097 -18.075 1.00 43.09 N ANISOU 3706 N TRP D 92 5679 5400 5291 33 -172 -168 N ATOM 3707 CA TRP D 92 -2.051 4.124 -17.114 1.00 45.15 C ANISOU 3707 CA TRP D 92 5914 5757 5482 -15 -155 -84 C ATOM 3708 C TRP D 92 -1.438 4.384 -15.744 1.00 45.84 C ANISOU 3708 C TRP D 92 6033 5810 5574 16 -184 -119 C ATOM 3709 O TRP D 92 -0.825 3.497 -15.157 1.00 46.30 O ANISOU 3709 O TRP D 92 6214 5841 5536 70 -231 -130 O ATOM 3710 CB TRP D 92 -2.810 2.803 -17.149 1.00 46.41 C ANISOU 3710 CB TRP D 92 6058 5833 5740 -28 -116 -97 C ATOM 3711 CG TRP D 92 -3.728 2.593 -15.990 1.00 46.99 C ANISOU 3711 CG TRP D 92 6021 6074 5756 11 -91 -31 C ATOM 3712 CD1 TRP D 92 -4.629 3.481 -15.489 1.00 47.34 C ANISOU 3712 CD1 TRP D 92 6079 6003 5902 71 -124 -11 C ATOM 3713 CD2 TRP D 92 -3.828 1.413 -15.181 1.00 48.62 C ANISOU 3713 CD2 TRP D 92 6188 6063 6222 -38 -13 -43 C ATOM 3714 NE1 TRP D 92 -5.298 2.931 -14.427 1.00 48.68 N ANISOU 3714 NE1 TRP D 92 6196 6196 6102 -73 -71 49 N ATOM 3715 CE2 TRP D 92 -4.815 1.666 -14.204 1.00 48.70 C ANISOU 3715 CE2 TRP D 92 6216 6063 6223 -40 96 -10 C ATOM 3716 CE3 TRP D 92 -3.165 0.169 -15.177 1.00 49.56 C ANISOU 3716 CE3 TRP D 92 6399 6193 6237 14 26 32 C ATOM 3717 CZ2 TRP D 92 -5.169 0.720 -13.233 1.00 49.68 C ANISOU 3717 CZ2 TRP D 92 6378 6240 6258 94 -28 59 C ATOM 3718 CZ3 TRP D 92 -3.513 -0.772 -14.213 1.00 49.32 C ANISOU 3718 CZ3 TRP D 92 6346 6163 6229 15 36 6 C ATOM 3719 CH2 TRP D 92 -4.520 -0.497 -13.261 1.00 49.69 C ANISOU 3719 CH2 TRP D 92 6394 6240 6243 86 53 26 C ATOM 0 H TRP D 92 -0.362 3.515 -17.913 1.00 43.09 H new ATOM 0 HA TRP D 92 -2.689 4.825 -17.321 1.00 45.15 H new ATOM 0 HB2 TRP D 92 -3.326 2.760 -17.969 1.00 46.41 H new ATOM 0 HB3 TRP D 92 -2.170 2.075 -17.178 1.00 46.41 H new ATOM 0 HD1 TRP D 92 -4.771 4.339 -15.820 1.00 47.34 H new ATOM 0 HE1 TRP D 92 -5.919 3.316 -13.974 1.00 48.68 H new ATOM 0 HE3 TRP D 92 -2.507 -0.019 -15.807 1.00 49.56 H new ATOM 0 HZ2 TRP D 92 -5.818 0.906 -12.593 1.00 49.68 H new ATOM 0 HZ3 TRP D 92 -3.077 -1.593 -14.195 1.00 49.32 H new ATOM 0 HH2 TRP D 92 -4.750 -1.150 -12.640 1.00 49.69 H new ATOM 3720 N ASN D 93 -1.576 5.613 -15.264 1.00 46.65 N ANISOU 3720 N ASN D 93 6096 5943 5684 10 -223 -132 N ATOM 3721 CA ASN D 93 -0.976 6.001 -13.988 1.00 47.55 C ANISOU 3721 CA ASN D 93 6194 6051 5821 -30 -177 -128 C ATOM 3722 C ASN D 93 0.538 5.848 -14.038 1.00 47.80 C ANISOU 3722 C ASN D 93 6161 6087 5912 -29 -155 -118 C ATOM 3723 O ASN D 93 1.144 5.074 -13.273 1.00 49.19 O ANISOU 3723 O ASN D 93 6321 6242 6124 -8 -138 -47 O ATOM 3724 CB ASN D 93 -1.618 5.217 -12.847 1.00 47.67 C ANISOU 3724 CB ASN D 93 6160 6102 5849 -22 -130 -147 C ATOM 3725 CG ASN D 93 -3.021 5.680 -12.571 1.00 48.37 C ANISOU 3725 CG ASN D 93 6227 6200 5951 -33 -180 -140 C ATOM 3726 OD1 ASN D 93 -3.285 6.958 -12.853 1.00 49.72 O flip ANISOU 3726 OD1 ASN D 93 6413 6347 6128 -67 -39 -163 O ATOM 3727 ND2 ASN D 93 -3.866 4.911 -12.117 1.00 49.16 N flip ANISOU 3727 ND2 ASN D 93 6363 6289 6027 -86 -190 17 N ATOM 0 H ASN D 93 -2.013 6.240 -15.659 1.00 46.65 H new ATOM 0 HA ASN D 93 -1.150 6.940 -13.820 1.00 47.55 H new ATOM 0 HB2 ASN D 93 -1.627 4.273 -13.068 1.00 47.67 H new ATOM 0 HB3 ASN D 93 -1.081 5.315 -12.045 1.00 47.67 H new ATOM 0 HD21 ASN D 93 -3.657 4.094 -11.948 1.00 49.16 H new ATOM 0 HD22 ASN D 93 -4.666 5.190 -11.968 1.00 49.16 H new ATOM 3728 N GLY D 94 1.127 6.568 -14.990 1.00 47.69 N ANISOU 3728 N GLY D 94 6137 6018 5964 -88 -147 -116 N ATOM 3729 CA GLY D 94 2.582 6.638 -15.205 1.00 47.88 C ANISOU 3729 CA GLY D 94 6075 6071 6047 -39 -138 -139 C ATOM 3730 C GLY D 94 3.248 5.336 -15.561 1.00 47.49 C ANISOU 3730 C GLY D 94 5974 6055 6014 -66 -121 -136 C ATOM 3731 O GLY D 94 4.481 5.226 -15.578 1.00 47.28 O ANISOU 3731 O GLY D 94 5861 6107 5995 -116 -148 -126 O ATOM 0 H GLY D 94 0.681 7.046 -15.549 1.00 47.69 H new ATOM 0 HA2 GLY D 94 2.758 7.277 -15.913 1.00 47.88 H new ATOM 0 HA3 GLY D 94 2.996 6.985 -14.399 1.00 47.88 H new ATOM 3732 N GLN D 95 2.420 4.344 -15.861 1.00 46.41 N ANISOU 3732 N GLN D 95 5788 5994 5850 -72 -169 -147 N ATOM 3733 CA GLN D 95 2.893 3.012 -16.111 1.00 45.60 C ANISOU 3733 CA GLN D 95 5767 5916 5640 -52 -178 -173 C ATOM 3734 C GLN D 95 2.594 2.631 -17.561 1.00 44.05 C ANISOU 3734 C GLN D 95 5524 5761 5451 -53 -127 -211 C ATOM 3735 O GLN D 95 1.432 2.567 -17.952 1.00 44.37 O ANISOU 3735 O GLN D 95 5619 5822 5416 -86 -172 -314 O ATOM 3736 CB GLN D 95 2.213 2.049 -15.140 1.00 45.98 C ANISOU 3736 CB GLN D 95 5771 5974 5723 -50 -167 -154 C ATOM 3737 CG GLN D 95 2.976 0.750 -14.976 1.00 49.55 C ANISOU 3737 CG GLN D 95 6353 6256 6217 59 -128 -60 C ATOM 3738 CD GLN D 95 2.809 0.133 -13.600 1.00 52.87 C ANISOU 3738 CD GLN D 95 6799 6815 6473 65 34 28 C ATOM 3739 OE1 GLN D 95 1.739 0.203 -12.997 1.00 55.27 O ANISOU 3739 OE1 GLN D 95 6924 7148 6925 90 124 -19 O ATOM 3740 NE2 GLN D 95 3.871 -0.499 -13.110 1.00 52.49 N ANISOU 3740 NE2 GLN D 95 6693 6970 6280 26 -100 10 N ATOM 0 H GLN D 95 1.567 4.434 -15.923 1.00 46.41 H new ATOM 0 HA GLN D 95 3.852 2.964 -15.974 1.00 45.60 H new ATOM 0 HB2 GLN D 95 2.122 2.478 -14.275 1.00 45.98 H new ATOM 0 HB3 GLN D 95 1.317 1.856 -15.456 1.00 45.98 H new ATOM 0 HG2 GLN D 95 2.675 0.117 -15.647 1.00 49.55 H new ATOM 0 HG3 GLN D 95 3.918 0.911 -15.140 1.00 49.55 H new ATOM 0 HE21 GLN D 95 4.602 -0.526 -13.562 1.00 52.49 H new ATOM 0 HE22 GLN D 95 3.827 -0.881 -12.341 1.00 52.49 H new ATOM 3741 N PRO D 96 3.645 2.409 -18.371 1.00 42.37 N ANISOU 3741 N PRO D 96 5340 5548 5209 -111 -229 -210 N ATOM 3742 CA PRO D 96 3.375 1.882 -19.712 1.00 39.79 C ANISOU 3742 CA PRO D 96 5033 5165 4919 -133 -264 -206 C ATOM 3743 C PRO D 96 2.612 0.557 -19.613 1.00 37.42 C ANISOU 3743 C PRO D 96 4728 4942 4546 -224 -431 -157 C ATOM 3744 O PRO D 96 2.858 -0.273 -18.755 1.00 37.79 O ANISOU 3744 O PRO D 96 4785 4913 4660 -260 -660 -169 O ATOM 3745 CB PRO D 96 4.782 1.642 -20.283 1.00 40.54 C ANISOU 3745 CB PRO D 96 5017 5320 5065 -135 -253 -198 C ATOM 3746 CG PRO D 96 5.693 1.625 -19.042 1.00 41.61 C ANISOU 3746 CG PRO D 96 5083 5523 5203 -9 -228 -226 C ATOM 3747 CD PRO D 96 5.084 2.642 -18.150 1.00 42.49 C ANISOU 3747 CD PRO D 96 5276 5560 5308 -45 -180 -242 C ATOM 0 HA PRO D 96 2.835 2.475 -20.257 1.00 39.79 H new ATOM 0 HB2 PRO D 96 4.829 0.804 -20.769 1.00 40.54 H new ATOM 0 HB3 PRO D 96 5.038 2.344 -20.902 1.00 40.54 H new ATOM 0 HG2 PRO D 96 5.712 0.749 -18.625 1.00 41.61 H new ATOM 0 HG3 PRO D 96 6.609 1.851 -19.268 1.00 41.61 H new ATOM 0 HD2 PRO D 96 5.336 2.511 -17.223 1.00 42.49 H new ATOM 0 HD3 PRO D 96 5.348 3.544 -18.391 1.00 42.49 H new ATOM 3748 N CYS D 97 1.657 0.359 -20.495 1.00 34.82 N ANISOU 3748 N CYS D 97 4568 4541 4121 -299 -535 -141 N ATOM 3749 CA ACYS D 97 0.993 -0.935 -20.541 0.60 32.84 C ANISOU 3749 CA ACYS D 97 4267 4317 3892 -375 -549 -192 C ATOM 3750 CA BCYS D 97 0.834 -0.848 -20.517 0.40 32.44 C ANISOU 3750 CA BCYS D 97 4202 4317 3807 -364 -530 -183 C ATOM 3751 C CYS D 97 0.588 -1.143 -21.964 1.00 30.60 C ANISOU 3751 C CYS D 97 3995 4013 3616 -447 -613 -123 C ATOM 3752 O CYS D 97 0.642 -0.235 -22.754 1.00 30.37 O ANISOU 3752 O CYS D 97 3977 3861 3699 -702 -798 -292 O ATOM 3753 CB ACYS D 97 -0.199 -1.009 -19.597 0.60 33.62 C ANISOU 3753 CB ACYS D 97 4436 4380 3955 -316 -502 -158 C ATOM 3754 CB BCYS D 97 -0.518 -0.575 -19.885 0.40 32.71 C ANISOU 3754 CB BCYS D 97 4285 4304 3839 -256 -476 -185 C ATOM 3755 SG ACYS D 97 -1.408 0.240 -19.857 0.60 39.99 S ANISOU 3755 SG ACYS D 97 5150 4945 5097 -69 -458 -234 S ATOM 3756 SG BCYS D 97 -0.483 -0.241 -18.162 0.40 35.51 S ANISOU 3756 SG BCYS D 97 4621 4954 3916 -202 -538 -219 S ATOM 0 H ACYS D 97 1.379 0.940 -21.065 0.60 34.82 H new ATOM 0 H BCYS D 97 1.459 0.925 -21.111 0.40 34.82 H new ATOM 0 HA ACYS D 97 1.591 -1.637 -20.240 0.60 32.44 H new ATOM 0 HA BCYS D 97 1.273 -1.570 -20.040 0.40 32.44 H new ATOM 0 HB2ACYS D 97 -0.621 -1.877 -19.693 0.60 32.71 H new ATOM 0 HB2BCYS D 97 -0.924 0.180 -20.338 0.40 32.71 H new ATOM 0 HB3ACYS D 97 0.121 -0.949 -18.683 0.60 32.71 H new ATOM 0 HB3BCYS D 97 -1.092 -1.341 -20.040 0.40 32.71 H new ATOM 0 HG ACYS D 97 -2.304 0.099 -19.072 0.60 35.51 H new ATOM 0 HG BCYS D 97 0.158 0.753 -17.960 0.40 35.51 H new ATOM 3757 N ALA D 98 0.263 -2.392 -22.280 1.00 27.17 N ANISOU 3757 N ALA D 98 3409 3754 3158 -540 -895 -220 N ATOM 3758 CA ALA D 98 -0.139 -2.725 -23.652 1.00 24.63 C ANISOU 3758 CA ALA D 98 3104 3488 2765 -638 -784 -81 C ATOM 3759 C ALA D 98 -1.391 -3.566 -23.557 1.00 22.82 C ANISOU 3759 C ALA D 98 2490 3360 2818 -357 -808 -16 C ATOM 3760 O ALA D 98 -1.580 -4.344 -22.629 1.00 24.61 O ANISOU 3760 O ALA D 98 2855 3577 2918 -522 -1043 27 O ATOM 3761 CB ALA D 98 0.868 -3.513 -24.333 1.00 26.05 C ANISOU 3761 CB ALA D 98 3053 3757 3086 -572 -782 -102 C ATOM 0 H ALA D 98 0.267 -3.053 -21.730 1.00 27.17 H new ATOM 0 HA ALA D 98 -0.271 -1.902 -24.149 1.00 24.63 H new ATOM 0 HB1 ALA D 98 0.568 -3.713 -25.234 1.00 26.05 H new ATOM 0 HB2 ALA D 98 1.698 -3.013 -24.373 1.00 26.05 H new ATOM 0 HB3 ALA D 98 1.013 -4.341 -23.849 1.00 26.05 H new ATOM 3762 N LEU D 99 -2.221 -3.444 -24.577 1.00 19.84 N ANISOU 3762 N LEU D 99 1966 2960 2611 -499 -779 -103 N ATOM 3763 CA LEU D 99 -3.398 -4.275 -24.650 1.00 19.07 C ANISOU 3763 CA LEU D 99 1890 2858 2495 -420 -439 -310 C ATOM 3764 C LEU D 99 -3.433 -4.895 -26.045 1.00 15.61 C ANISOU 3764 C LEU D 99 1347 2432 2151 -403 -336 -26 C ATOM 3765 O LEU D 99 -3.392 -4.187 -26.999 1.00 17.57 O ANISOU 3765 O LEU D 99 1817 2509 2347 -402 -405 -23 O ATOM 3766 CB LEU D 99 -4.585 -3.362 -24.452 1.00 20.21 C ANISOU 3766 CB LEU D 99 2349 2810 2521 -268 -148 -276 C ATOM 3767 CG LEU D 99 -5.948 -4.118 -24.526 1.00 21.42 C ANISOU 3767 CG LEU D 99 2283 3139 2716 -124 -287 -215 C ATOM 3768 CD1 LEU D 99 -6.133 -5.107 -23.389 1.00 24.27 C ANISOU 3768 CD1 LEU D 99 2687 3243 3289 -436 -116 -9 C ATOM 3769 CD2 LEU D 99 -7.135 -3.105 -24.529 1.00 21.79 C ANISOU 3769 CD2 LEU D 99 2443 2890 2947 42 -357 -138 C ATOM 0 H LEU D 99 -2.121 -2.892 -25.229 1.00 19.84 H new ATOM 0 HA LEU D 99 -3.404 -4.980 -23.984 1.00 19.07 H new ATOM 0 HB2 LEU D 99 -4.510 -2.923 -23.590 1.00 20.21 H new ATOM 0 HB3 LEU D 99 -4.569 -2.666 -25.128 1.00 20.21 H new ATOM 0 HG LEU D 99 -5.939 -4.621 -25.355 1.00 21.42 H new ATOM 0 HD11 LEU D 99 -6.992 -5.549 -23.481 1.00 24.27 H new ATOM 0 HD12 LEU D 99 -5.425 -5.769 -23.417 1.00 24.27 H new ATOM 0 HD13 LEU D 99 -6.101 -4.636 -22.542 1.00 24.27 H new ATOM 0 HD21 LEU D 99 -7.974 -3.590 -24.575 1.00 21.79 H new ATOM 0 HD22 LEU D 99 -7.112 -2.577 -23.716 1.00 21.79 H new ATOM 0 HD23 LEU D 99 -7.058 -2.518 -25.298 1.00 21.79 H new ATOM 3770 N ASP D 100 -3.550 -6.236 -26.089 1.00 15.96 N ANISOU 3770 N ASP D 100 1352 2403 2307 -145 -300 -165 N ATOM 3771 CA ASP D 100 -3.760 -6.927 -27.322 1.00 16.03 C ANISOU 3771 CA ASP D 100 1392 2408 2289 -282 -559 -169 C ATOM 3772 C ASP D 100 -5.264 -7.125 -27.644 1.00 15.95 C ANISOU 3772 C ASP D 100 1612 2191 2257 -484 -382 -47 C ATOM 3773 O ASP D 100 -6.014 -7.622 -26.811 1.00 17.05 O ANISOU 3773 O ASP D 100 1754 2532 2191 -387 -525 76 O ATOM 3774 CB ASP D 100 -3.121 -8.317 -27.257 1.00 17.65 C ANISOU 3774 CB ASP D 100 1444 2511 2749 -315 -584 -219 C ATOM 3775 CG ASP D 100 -1.630 -8.224 -27.060 1.00 20.37 C ANISOU 3775 CG ASP D 100 2102 2778 2860 -68 -451 -47 C ATOM 3776 OD1 ASP D 100 -1.002 -7.486 -27.865 1.00 21.93 O ANISOU 3776 OD1 ASP D 100 1594 3325 3411 171 -253 42 O ATOM 3777 OD2 ASP D 100 -1.134 -8.870 -26.096 1.00 23.43 O ANISOU 3777 OD2 ASP D 100 1801 3580 3521 97 -826 172 O ATOM 0 H ASP D 100 -3.507 -6.746 -25.398 1.00 15.96 H new ATOM 0 HA ASP D 100 -3.358 -6.379 -28.014 1.00 16.03 H new ATOM 0 HB2 ASP D 100 -3.515 -8.823 -26.529 1.00 17.65 H new ATOM 0 HB3 ASP D 100 -3.312 -8.802 -28.075 1.00 17.65 H new ATOM 3778 N VAL D 101 -5.664 -6.763 -28.866 1.00 14.52 N ANISOU 3778 N VAL D 101 1222 2236 2058 -68 -365 -6 N ATOM 3779 CA VAL D 101 -7.078 -6.658 -29.170 1.00 14.04 C ANISOU 3779 CA VAL D 101 1044 2026 2262 -103 -550 -122 C ATOM 3780 C VAL D 101 -7.287 -7.277 -30.523 1.00 12.74 C ANISOU 3780 C VAL D 101 1187 1916 1735 -19 -228 -104 C ATOM 3781 O VAL D 101 -6.435 -7.216 -31.391 1.00 13.45 O ANISOU 3781 O VAL D 101 897 2270 1943 -243 -228 -45 O ATOM 3782 CB VAL D 101 -7.530 -5.148 -29.220 1.00 15.54 C ANISOU 3782 CB VAL D 101 1349 2273 2281 48 -422 -191 C ATOM 3783 CG1 VAL D 101 -8.990 -5.015 -29.511 1.00 16.28 C ANISOU 3783 CG1 VAL D 101 1011 2553 2620 -135 -466 -288 C ATOM 3784 CG2 VAL D 101 -7.175 -4.429 -27.943 1.00 18.45 C ANISOU 3784 CG2 VAL D 101 2331 2410 2269 -296 -461 -351 C ATOM 0 H VAL D 101 -5.136 -6.578 -29.519 1.00 14.52 H new ATOM 0 HA VAL D 101 -7.599 -7.106 -28.485 1.00 14.04 H new ATOM 0 HB VAL D 101 -7.045 -4.730 -29.949 1.00 15.54 H new ATOM 0 HG11 VAL D 101 -9.231 -4.076 -29.534 1.00 16.28 H new ATOM 0 HG12 VAL D 101 -9.187 -5.420 -30.370 1.00 16.28 H new ATOM 0 HG13 VAL D 101 -9.500 -5.463 -28.818 1.00 16.28 H new ATOM 0 HG21 VAL D 101 -7.464 -3.505 -28.001 1.00 18.45 H new ATOM 0 HG22 VAL D 101 -7.618 -4.859 -27.195 1.00 18.45 H new ATOM 0 HG23 VAL D 101 -6.215 -4.460 -27.810 1.00 18.45 H new ATOM 3785 N ILE D 102 -8.499 -7.830 -30.758 1.00 13.38 N ANISOU 3785 N ILE D 102 916 1974 2193 -201 -536 -84 N ATOM 3786 CA ILE D 102 -8.971 -8.100 -32.152 1.00 12.46 C ANISOU 3786 CA ILE D 102 571 2074 2088 -145 -300 -51 C ATOM 3787 C ILE D 102 -10.307 -7.343 -32.338 1.00 11.49 C ANISOU 3787 C ILE D 102 494 2090 1781 -175 -177 -224 C ATOM 3788 O ILE D 102 -11.174 -7.445 -31.499 1.00 13.94 O ANISOU 3788 O ILE D 102 1017 2314 1965 40 170 -60 O ATOM 3789 CB ILE D 102 -9.184 -9.613 -32.355 1.00 13.51 C ANISOU 3789 CB ILE D 102 1096 1922 2112 -155 -30 -92 C ATOM 3790 CG1 ILE D 102 -7.777 -10.268 -32.523 1.00 14.29 C ANISOU 3790 CG1 ILE D 102 860 1933 2634 -127 180 37 C ATOM 3791 CG2 ILE D 102 -10.045 -9.862 -33.606 1.00 13.88 C ANISOU 3791 CG2 ILE D 102 947 2444 1880 89 -367 -51 C ATOM 3792 CD1 ILE D 102 -7.842 -11.758 -32.648 1.00 14.93 C ANISOU 3792 CD1 ILE D 102 1191 1891 2589 -144 -125 -214 C ATOM 0 H ILE D 102 -9.056 -8.054 -30.142 1.00 13.38 H new ATOM 0 HA ILE D 102 -8.315 -7.802 -32.801 1.00 12.46 H new ATOM 0 HB ILE D 102 -9.647 -9.999 -31.595 1.00 13.51 H new ATOM 0 HG12 ILE D 102 -7.346 -9.900 -33.310 1.00 14.29 H new ATOM 0 HG13 ILE D 102 -7.223 -10.035 -31.761 1.00 14.29 H new ATOM 0 HG21 ILE D 102 -10.174 -10.816 -33.726 1.00 13.88 H new ATOM 0 HG22 ILE D 102 -10.907 -9.431 -33.497 1.00 13.88 H new ATOM 0 HG23 ILE D 102 -9.598 -9.496 -34.385 1.00 13.88 H new ATOM 0 HD11 ILE D 102 -6.945 -12.114 -32.750 1.00 14.93 H new ATOM 0 HD12 ILE D 102 -8.250 -12.132 -31.851 1.00 14.93 H new ATOM 0 HD13 ILE D 102 -8.373 -11.995 -33.424 1.00 14.93 H new ATOM 3793 N ASP D 103 -10.329 -6.518 -33.394 1.00 12.51 N ANISOU 3793 N ASP D 103 848 2015 1890 37 -226 14 N ATOM 3794 CA ASP D 103 -11.576 -5.875 -33.710 1.00 14.04 C ANISOU 3794 CA ASP D 103 1109 2201 2022 202 -283 -46 C ATOM 3795 C ASP D 103 -12.152 -6.579 -34.929 1.00 15.74 C ANISOU 3795 C ASP D 103 1578 2473 1928 -102 -23 14 C ATOM 3796 O ASP D 103 -11.449 -6.914 -35.890 1.00 14.93 O ANISOU 3796 O ASP D 103 1060 2674 1936 120 -47 -112 O ATOM 3797 CB ASP D 103 -11.329 -4.434 -34.160 1.00 14.86 C ANISOU 3797 CB ASP D 103 1254 2259 2130 -31 -224 -149 C ATOM 3798 CG ASP D 103 -11.120 -3.463 -33.012 1.00 16.53 C ANISOU 3798 CG ASP D 103 1022 2737 2522 -87 54 -120 C ATOM 3799 OD1 ASP D 103 -11.215 -3.856 -31.839 1.00 18.91 O ANISOU 3799 OD1 ASP D 103 2180 2527 2476 7 -54 -249 O ATOM 3800 OD2 ASP D 103 -10.858 -2.280 -33.360 1.00 19.77 O ANISOU 3800 OD2 ASP D 103 2192 2422 2895 210 -85 -69 O ATOM 0 H ASP D 103 -9.663 -6.334 -33.906 1.00 12.51 H new ATOM 0 HA ASP D 103 -12.154 -5.903 -32.931 1.00 14.04 H new ATOM 0 HB2 ASP D 103 -10.549 -4.413 -34.737 1.00 14.86 H new ATOM 0 HB3 ASP D 103 -12.083 -4.136 -34.692 1.00 14.86 H new ATOM 3801 N VAL D 104 -13.473 -6.751 -34.861 1.00 14.14 N ANISOU 3801 N VAL D 104 1189 2174 2010 41 -75 -156 N ATOM 3802 CA VAL D 104 -14.262 -7.176 -36.005 1.00 13.97 C ANISOU 3802 CA VAL D 104 1146 2093 2067 119 -30 -113 C ATOM 3803 C VAL D 104 -15.148 -6.011 -36.417 1.00 14.73 C ANISOU 3803 C VAL D 104 1427 2122 2046 3 -31 -93 C ATOM 3804 O VAL D 104 -15.847 -5.444 -35.569 1.00 16.15 O ANISOU 3804 O VAL D 104 1301 2462 2373 330 142 -236 O ATOM 3805 CB VAL D 104 -15.090 -8.409 -35.691 1.00 15.78 C ANISOU 3805 CB VAL D 104 1474 2088 2432 -97 -19 -46 C ATOM 3806 CG1 VAL D 104 -15.962 -8.810 -36.887 1.00 19.60 C ANISOU 3806 CG1 VAL D 104 1895 2616 2933 -375 -321 -432 C ATOM 3807 CG2 VAL D 104 -14.282 -9.593 -35.267 1.00 18.73 C ANISOU 3807 CG2 VAL D 104 1530 2162 3423 -128 260 -67 C ATOM 0 H VAL D 104 -13.933 -6.623 -34.146 1.00 14.14 H new ATOM 0 HA VAL D 104 -13.672 -7.424 -36.734 1.00 13.97 H new ATOM 0 HB VAL D 104 -15.644 -8.151 -34.938 1.00 15.78 H new ATOM 0 HG11 VAL D 104 -16.480 -9.599 -36.660 1.00 19.60 H new ATOM 0 HG12 VAL D 104 -16.563 -8.082 -37.108 1.00 19.60 H new ATOM 0 HG13 VAL D 104 -15.396 -9.004 -37.650 1.00 19.60 H new ATOM 0 HG21 VAL D 104 -14.873 -10.340 -35.084 1.00 18.73 H new ATOM 0 HG22 VAL D 104 -13.666 -9.835 -35.976 1.00 18.73 H new ATOM 0 HG23 VAL D 104 -13.781 -9.373 -34.466 1.00 18.73 H new ATOM 3808 N MET D 105 -15.084 -5.645 -37.685 1.00 14.12 N ANISOU 3808 N MET D 105 1159 2109 2094 29 -236 -39 N ATOM 3809 CA AMET D 105 -15.962 -4.542 -38.159 0.60 14.64 C ANISOU 3809 CA AMET D 105 1318 2157 2085 96 -334 -82 C ATOM 3810 CA BMET D 105 -15.885 -4.502 -38.236 0.40 14.70 C ANISOU 3810 CA BMET D 105 1289 2157 2138 78 -310 -83 C ATOM 3811 C MET D 105 -16.802 -4.970 -39.327 1.00 14.98 C ANISOU 3811 C MET D 105 1227 2189 2275 238 -394 -182 C ATOM 3812 O MET D 105 -16.393 -5.785 -40.164 1.00 16.93 O ANISOU 3812 O MET D 105 1526 2495 2411 394 -440 -277 O ATOM 3813 CB AMET D 105 -15.105 -3.367 -38.638 0.60 15.89 C ANISOU 3813 CB AMET D 105 1624 2198 2214 171 -286 -227 C ATOM 3814 CB BMET D 105 -14.972 -3.455 -38.917 0.40 14.99 C ANISOU 3814 CB BMET D 105 1383 2217 2095 163 -131 -92 C ATOM 3815 CG AMET D 105 -14.377 -2.724 -37.531 0.60 15.59 C ANISOU 3815 CG AMET D 105 951 2528 2441 174 -215 -10 C ATOM 3816 CG BMET D 105 -14.535 -2.343 -38.030 0.40 17.90 C ANISOU 3816 CG BMET D 105 1447 2669 2682 -143 58 -72 C ATOM 3817 SD AMET D 105 -13.177 -1.518 -38.183 0.60 17.13 S ANISOU 3817 SD AMET D 105 1722 2308 2476 -147 157 -169 S ATOM 3818 SD BMET D 105 -13.241 -2.981 -36.998 0.40 17.77 S ANISOU 3818 SD BMET D 105 1574 2531 2647 113 -3 -289 S ATOM 3819 CE AMET D 105 -12.595 -0.819 -36.608 0.60 19.06 C ANISOU 3819 CE AMET D 105 1642 2806 2793 -322 -425 -109 C ATOM 3820 CE BMET D 105 -12.368 -1.465 -36.602 0.40 20.10 C ANISOU 3820 CE BMET D 105 1611 2764 3260 -462 -132 0 C ATOM 0 H AMET D 105 -14.569 -5.994 -38.279 0.60 14.12 H new ATOM 0 H BMET D 105 -14.585 -6.035 -38.267 0.40 14.12 H new ATOM 0 HA AMET D 105 -16.531 -4.292 -37.414 0.60 14.70 H new ATOM 0 HA BMET D 105 -16.368 -4.128 -37.482 0.40 14.70 H new ATOM 0 HB2AMET D 105 -14.471 -3.680 -39.302 0.60 14.99 H new ATOM 0 HB2BMET D 105 -14.185 -3.905 -39.263 0.40 14.99 H new ATOM 0 HB3AMET D 105 -15.672 -2.712 -39.074 0.60 14.99 H new ATOM 0 HB3BMET D 105 -15.442 -3.080 -39.678 0.40 14.99 H new ATOM 0 HG2AMET D 105 -15.003 -2.279 -36.939 0.60 17.90 H new ATOM 0 HG2BMET D 105 -14.217 -1.591 -38.554 0.40 17.90 H new ATOM 0 HG3AMET D 105 -13.917 -3.396 -37.004 0.60 17.90 H new ATOM 0 HG3BMET D 105 -15.276 -2.021 -37.492 0.40 17.90 H new ATOM 0 HE1AMET D 105 -12.678 0.147 -36.632 0.60 20.10 H new ATOM 0 HE1BMET D 105 -11.868 -1.585 -35.779 0.40 20.10 H new ATOM 0 HE2AMET D 105 -13.131 -1.171 -35.880 0.60 20.10 H new ATOM 0 HE2BMET D 105 -11.756 -1.246 -37.322 0.40 20.10 H new ATOM 0 HE3AMET D 105 -11.666 -1.060 -36.471 0.60 20.10 H new ATOM 0 HE3BMET D 105 -13.007 -0.743 -36.490 0.40 20.10 H new ATOM 3821 N ARG D 106 -18.040 -4.450 -39.335 1.00 15.85 N ANISOU 3821 N ARG D 106 887 2458 2676 160 -445 -194 N ATOM 3822 CA ARG D 106 -18.963 -4.610 -40.472 1.00 17.63 C ANISOU 3822 CA ARG D 106 1519 2533 2645 141 -451 -237 C ATOM 3823 C ARG D 106 -19.157 -3.244 -41.081 1.00 17.09 C ANISOU 3823 C ARG D 106 1384 2460 2648 135 -671 -295 C ATOM 3824 O ARG D 106 -19.465 -2.300 -40.362 1.00 17.83 O ANISOU 3824 O ARG D 106 1418 2388 2968 361 -781 -394 O ATOM 3825 CB ARG D 106 -20.339 -5.164 -40.090 1.00 20.67 C ANISOU 3825 CB ARG D 106 1694 2866 3294 -37 -360 -152 C ATOM 3826 CG ARG D 106 -21.128 -5.218 -41.320 1.00 26.46 C ANISOU 3826 CG ARG D 106 2902 3722 3430 39 -403 -283 C ATOM 3827 CD ARG D 106 -22.455 -5.973 -41.111 1.00 37.63 C ANISOU 3827 CD ARG D 106 3989 4950 5358 -324 -103 -84 C ATOM 3828 NE ARG D 106 -23.142 -6.238 -42.378 1.00 45.68 N ANISOU 3828 NE ARG D 106 5859 5927 5568 -171 -122 -116 N ATOM 3829 CZ ARG D 106 -24.328 -6.848 -42.483 1.00 47.55 C ANISOU 3829 CZ ARG D 106 5857 6190 6018 -117 -41 -67 C ATOM 3830 NH1 ARG D 106 -24.974 -7.267 -41.399 1.00 49.76 N ANISOU 3830 NH1 ARG D 106 6294 6342 6270 -152 60 51 N ATOM 3831 NH2 ARG D 106 -24.873 -7.044 -43.673 1.00 49.63 N ANISOU 3831 NH2 ARG D 106 6317 6312 6226 -142 -85 -106 N ATOM 0 H ARG D 106 -18.367 -3.996 -38.682 1.00 15.85 H new ATOM 0 HA ARG D 106 -18.568 -5.254 -41.081 1.00 17.63 H new ATOM 0 HB2 ARG D 106 -20.257 -6.046 -39.695 1.00 20.67 H new ATOM 0 HB3 ARG D 106 -20.768 -4.596 -39.431 1.00 20.67 H new ATOM 0 HG2 ARG D 106 -21.313 -4.316 -41.626 1.00 26.46 H new ATOM 0 HG3 ARG D 106 -20.613 -5.654 -42.017 1.00 26.46 H new ATOM 0 HD2 ARG D 106 -22.281 -6.812 -40.657 1.00 37.63 H new ATOM 0 HD3 ARG D 106 -23.034 -5.453 -40.533 1.00 37.63 H new ATOM 0 HE ARG D 106 -22.756 -5.984 -43.104 1.00 45.68 H new ATOM 0 HH11 ARG D 106 -24.630 -7.147 -40.620 1.00 49.76 H new ATOM 0 HH12 ARG D 106 -25.736 -7.658 -41.477 1.00 49.76 H new ATOM 0 HH21 ARG D 106 -24.465 -6.779 -44.382 1.00 49.63 H new ATOM 0 HH22 ARG D 106 -25.636 -7.436 -43.737 1.00 49.63 H new ATOM 3832 N PHE D 107 -18.874 -3.116 -42.370 1.00 18.56 N ANISOU 3832 N PHE D 107 1689 2577 2783 194 -639 -299 N ATOM 3833 CA PHE D 107 -18.993 -1.852 -43.072 1.00 20.12 C ANISOU 3833 CA PHE D 107 2016 2789 2839 173 -667 -230 C ATOM 3834 C PHE D 107 -20.301 -1.799 -43.804 1.00 23.51 C ANISOU 3834 C PHE D 107 2719 2890 3323 136 -879 -354 C ATOM 3835 O PHE D 107 -20.837 -2.830 -44.199 1.00 25.34 O ANISOU 3835 O PHE D 107 2512 3361 3753 102 -1408 -390 O ATOM 3836 CB PHE D 107 -17.860 -1.701 -44.084 1.00 19.68 C ANISOU 3836 CB PHE D 107 1942 2855 2680 303 -792 -138 C ATOM 3837 CG PHE D 107 -16.525 -1.495 -43.430 1.00 18.17 C ANISOU 3837 CG PHE D 107 1624 2847 2431 409 -544 -217 C ATOM 3838 CD1 PHE D 107 -15.774 -2.592 -42.981 1.00 20.06 C ANISOU 3838 CD1 PHE D 107 2106 3054 2458 681 -462 -85 C ATOM 3839 CD2 PHE D 107 -16.056 -0.216 -43.178 1.00 17.32 C ANISOU 3839 CD2 PHE D 107 1528 2836 2216 376 -87 -243 C ATOM 3840 CE1 PHE D 107 -14.610 -2.374 -42.299 1.00 19.18 C ANISOU 3840 CE1 PHE D 107 1750 3161 2374 536 -49 -119 C ATOM 3841 CE2 PHE D 107 -14.834 -0.009 -42.504 1.00 20.48 C ANISOU 3841 CE2 PHE D 107 2089 2975 2718 481 -303 -53 C ATOM 3842 CZ PHE D 107 -14.108 -1.111 -42.096 1.00 21.10 C ANISOU 3842 CZ PHE D 107 2370 3243 2402 488 -358 -150 C ATOM 0 H PHE D 107 -18.605 -3.767 -42.864 1.00 18.56 H new ATOM 0 HA PHE D 107 -18.946 -1.134 -42.422 1.00 20.12 H new ATOM 0 HB2 PHE D 107 -17.823 -2.492 -44.644 1.00 19.68 H new ATOM 0 HB3 PHE D 107 -18.050 -0.950 -44.667 1.00 19.68 H new ATOM 0 HD1 PHE D 107 -16.066 -3.459 -43.146 1.00 20.06 H new ATOM 0 HD2 PHE D 107 -16.555 0.518 -43.458 1.00 17.32 H new ATOM 0 HE1 PHE D 107 -14.143 -3.104 -41.961 1.00 19.18 H new ATOM 0 HE2 PHE D 107 -14.524 0.852 -42.338 1.00 20.48 H new ATOM 0 HZ PHE D 107 -13.281 -0.998 -41.685 1.00 21.10 H new ATOM 3843 N ASP D 108 -20.775 -0.594 -44.039 1.00 23.50 N ANISOU 3843 N ASP D 108 2377 3327 3224 389 -1145 -353 N ATOM 3844 CA ASP D 108 -22.011 -0.445 -44.782 1.00 26.00 C ANISOU 3844 CA ASP D 108 2559 3715 3602 263 -827 -263 C ATOM 3845 C ASP D 108 -21.684 -0.127 -46.197 1.00 28.79 C ANISOU 3845 C ASP D 108 3096 4145 3695 179 -829 -218 C ATOM 3846 O ASP D 108 -20.571 -0.075 -46.627 1.00 29.14 O ANISOU 3846 O ASP D 108 3429 4195 3445 254 -1078 -272 O ATOM 3847 CB ASP D 108 -22.907 0.630 -44.128 1.00 26.53 C ANISOU 3847 CB ASP D 108 2747 3543 3788 361 -827 -263 C ATOM 3848 CG ASP D 108 -22.340 2.034 -44.225 1.00 27.76 C ANISOU 3848 CG ASP D 108 3008 3776 3764 234 -538 -130 C ATOM 3849 OD1 ASP D 108 -21.462 2.326 -45.063 1.00 27.30 O ANISOU 3849 OD1 ASP D 108 2921 3853 3595 653 -1001 -31 O ATOM 3850 OD2 ASP D 108 -22.824 2.871 -43.433 1.00 29.87 O ANISOU 3850 OD2 ASP D 108 2970 3840 4538 325 -631 -606 O ATOM 0 H ASP D 108 -20.407 0.140 -43.784 1.00 23.50 H new ATOM 0 HA ASP D 108 -22.516 -1.273 -44.766 1.00 26.00 H new ATOM 0 HB2 ASP D 108 -23.781 0.612 -44.549 1.00 26.53 H new ATOM 0 HB3 ASP D 108 -23.038 0.406 -43.193 1.00 26.53 H new ATOM 3851 N GLU D 109 -22.750 0.124 -46.945 1.00 31.18 N ANISOU 3851 N GLU D 109 3385 4499 3964 272 -855 -111 N ATOM 3852 CA GLU D 109 -22.698 0.326 -48.351 1.00 34.85 C ANISOU 3852 CA GLU D 109 4168 4846 4227 79 -536 -111 C ATOM 3853 C GLU D 109 -21.958 1.579 -48.783 1.00 36.19 C ANISOU 3853 C GLU D 109 4559 4953 4238 59 -495 -56 C ATOM 3854 O GLU D 109 -21.735 1.762 -49.969 1.00 39.09 O ANISOU 3854 O GLU D 109 5176 5329 4347 -85 -370 -193 O ATOM 3855 CB GLU D 109 -24.143 0.241 -48.920 1.00 36.29 C ANISOU 3855 CB GLU D 109 4260 5050 4479 127 -569 -101 C ATOM 3856 CG GLU D 109 -25.237 1.028 -48.124 1.00 41.28 C ANISOU 3856 CG GLU D 109 4884 5516 5285 143 -267 -159 C ATOM 3857 CD GLU D 109 -25.550 0.540 -46.676 1.00 48.55 C ANISOU 3857 CD GLU D 109 6128 6279 6039 26 -55 9 C ATOM 3858 OE1 GLU D 109 -25.522 -0.689 -46.382 1.00 51.86 O ANISOU 3858 OE1 GLU D 109 6474 6477 6754 155 -122 -59 O ATOM 3859 OE2 GLU D 109 -25.872 1.413 -45.819 1.00 52.08 O ANISOU 3859 OE2 GLU D 109 6389 6659 6738 77 -86 -161 O ATOM 0 H GLU D 109 -23.545 0.180 -46.621 1.00 31.18 H new ATOM 0 HA GLU D 109 -22.158 -0.384 -48.733 1.00 34.85 H new ATOM 0 HB2 GLU D 109 -24.133 0.569 -49.833 1.00 36.29 H new ATOM 0 HB3 GLU D 109 -24.403 -0.693 -48.957 1.00 36.29 H new ATOM 0 HG2 GLU D 109 -24.964 1.958 -48.076 1.00 41.28 H new ATOM 0 HG3 GLU D 109 -26.060 1.000 -48.636 1.00 41.28 H new ATOM 3860 N HIS D 110 -21.623 2.477 -47.839 1.00 35.35 N ANISOU 3860 N HIS D 110 4609 4826 3995 18 -592 2 N ATOM 3861 CA HIS D 110 -20.799 3.659 -48.119 1.00 35.20 C ANISOU 3861 CA HIS D 110 4717 4664 3993 60 -439 42 C ATOM 3862 C HIS D 110 -19.379 3.558 -47.569 1.00 33.42 C ANISOU 3862 C HIS D 110 4584 4328 3785 11 -320 -35 C ATOM 3863 O HIS D 110 -18.614 4.538 -47.557 1.00 34.14 O ANISOU 3863 O HIS D 110 4702 4491 3778 -48 -397 88 O ATOM 3864 CB HIS D 110 -21.447 4.898 -47.504 1.00 36.28 C ANISOU 3864 CB HIS D 110 4784 4744 4253 31 -349 -42 C ATOM 3865 CG HIS D 110 -22.915 5.016 -47.757 1.00 40.20 C ANISOU 3865 CG HIS D 110 5061 5212 5000 7 -138 36 C ATOM 3866 ND1 HIS D 110 -23.847 4.849 -46.758 1.00 44.59 N ANISOU 3866 ND1 HIS D 110 5523 5830 5587 157 33 54 N ATOM 3867 CD2 HIS D 110 -23.609 5.309 -48.880 1.00 41.80 C ANISOU 3867 CD2 HIS D 110 5176 5403 5302 61 -161 23 C ATOM 3868 CE1 HIS D 110 -25.057 5.008 -47.260 1.00 45.34 C ANISOU 3868 CE1 HIS D 110 5589 5983 5653 54 -108 95 C ATOM 3869 NE2 HIS D 110 -24.939 5.287 -48.545 1.00 43.86 N ANISOU 3869 NE2 HIS D 110 5414 5818 5433 171 -136 20 N ATOM 0 H HIS D 110 -21.870 2.413 -47.018 1.00 35.35 H new ATOM 0 HA HIS D 110 -20.743 3.720 -49.085 1.00 35.20 H new ATOM 0 HB2 HIS D 110 -21.295 4.888 -46.546 1.00 36.28 H new ATOM 0 HB3 HIS D 110 -21.005 5.688 -47.853 1.00 36.28 H new ATOM 0 HD2 HIS D 110 -23.252 5.491 -49.719 1.00 41.80 H new ATOM 0 HE1 HIS D 110 -25.856 4.936 -46.789 1.00 45.34 H new ATOM 0 HE2 HIS D 110 -25.592 5.432 -49.086 1.00 43.86 H new ATOM 3870 N GLY D 111 -19.015 2.371 -47.116 1.00 30.37 N ANISOU 3870 N GLY D 111 4374 4112 3050 155 -384 -97 N ATOM 3871 CA GLY D 111 -17.684 2.159 -46.598 1.00 28.58 C ANISOU 3871 CA GLY D 111 3991 3823 3044 115 -114 -228 C ATOM 3872 C GLY D 111 -17.533 2.739 -45.196 1.00 24.86 C ANISOU 3872 C GLY D 111 3475 3384 2585 226 -194 -138 C ATOM 3873 O GLY D 111 -16.426 2.999 -44.767 1.00 26.60 O ANISOU 3873 O GLY D 111 3463 3567 3075 179 152 -407 O ATOM 0 H GLY D 111 -19.524 1.678 -47.101 1.00 30.37 H new ATOM 0 HA2 GLY D 111 -17.490 1.209 -46.579 1.00 28.58 H new ATOM 0 HA3 GLY D 111 -17.035 2.569 -47.191 1.00 28.58 H new ATOM 3874 N ARG D 112 -18.620 2.900 -44.448 1.00 21.92 N ANISOU 3874 N ARG D 112 2873 3081 2372 230 -268 79 N ATOM 3875 CA ARG D 112 -18.486 3.395 -43.060 1.00 20.00 C ANISOU 3875 CA ARG D 112 2445 2676 2474 437 -353 -15 C ATOM 3876 C ARG D 112 -18.719 2.219 -42.125 1.00 18.24 C ANISOU 3876 C ARG D 112 1935 2588 2407 225 -140 -39 C ATOM 3877 O ARG D 112 -19.346 1.227 -42.496 1.00 18.91 O ANISOU 3877 O ARG D 112 1987 2639 2558 176 -622 -158 O ATOM 3878 CB ARG D 112 -19.529 4.456 -42.799 1.00 21.71 C ANISOU 3878 CB ARG D 112 2729 2810 2708 548 -228 -123 C ATOM 3879 CG ARG D 112 -19.130 5.743 -43.546 1.00 29.63 C ANISOU 3879 CG ARG D 112 4103 3625 3528 501 39 251 C ATOM 3880 CD ARG D 112 -19.927 6.939 -43.157 1.00 36.88 C ANISOU 3880 CD ARG D 112 5230 4208 4574 365 109 -161 C ATOM 3881 NE ARG D 112 -19.728 8.029 -44.125 1.00 44.41 N ANISOU 3881 NE ARG D 112 6068 5130 5674 -13 111 219 N ATOM 3882 CZ ARG D 112 -18.573 8.662 -44.345 1.00 46.73 C ANISOU 3882 CZ ARG D 112 5951 5746 6056 -30 24 37 C ATOM 3883 NH1 ARG D 112 -17.464 8.323 -43.697 1.00 49.03 N ANISOU 3883 NH1 ARG D 112 6565 6093 5969 -81 -186 68 N ATOM 3884 NH2 ARG D 112 -18.522 9.639 -45.239 1.00 48.65 N ANISOU 3884 NH2 ARG D 112 6272 6003 6207 -74 -71 136 N ATOM 0 H ARG D 112 -19.424 2.737 -44.705 1.00 21.92 H new ATOM 0 HA ARG D 112 -17.606 3.777 -42.918 1.00 20.00 H new ATOM 0 HB2 ARG D 112 -20.400 4.151 -43.098 1.00 21.71 H new ATOM 0 HB3 ARG D 112 -19.601 4.629 -41.847 1.00 21.71 H new ATOM 0 HG2 ARG D 112 -18.191 5.924 -43.382 1.00 29.63 H new ATOM 0 HG3 ARG D 112 -19.228 5.596 -44.500 1.00 29.63 H new ATOM 0 HD2 ARG D 112 -20.868 6.707 -43.112 1.00 36.88 H new ATOM 0 HD3 ARG D 112 -19.665 7.234 -42.271 1.00 36.88 H new ATOM 0 HE ARG D 112 -20.410 8.278 -44.586 1.00 44.41 H new ATOM 0 HH11 ARG D 112 -17.480 7.684 -43.122 1.00 49.03 H new ATOM 0 HH12 ARG D 112 -16.730 8.743 -43.853 1.00 49.03 H new ATOM 0 HH21 ARG D 112 -19.230 9.862 -45.673 1.00 48.65 H new ATOM 0 HH22 ARG D 112 -17.781 10.050 -45.385 1.00 48.65 H new ATOM 3885 N ILE D 113 -18.130 2.267 -40.941 1.00 16.46 N ANISOU 3885 N ILE D 113 1403 2587 2261 281 -329 57 N ATOM 3886 CA ILE D 113 -18.260 1.156 -39.989 1.00 15.65 C ANISOU 3886 CA ILE D 113 1125 2294 2524 218 -392 -84 C ATOM 3887 C ILE D 113 -19.668 1.231 -39.424 1.00 17.28 C ANISOU 3887 C ILE D 113 1592 2091 2880 280 -204 -17 C ATOM 3888 O ILE D 113 -20.036 2.235 -38.790 1.00 18.28 O ANISOU 3888 O ILE D 113 1700 2168 3076 359 -159 -253 O ATOM 3889 CB ILE D 113 -17.242 1.313 -38.843 1.00 16.24 C ANISOU 3889 CB ILE D 113 1505 2369 2296 280 -360 -15 C ATOM 3890 CG1 ILE D 113 -15.813 1.324 -39.386 1.00 15.83 C ANISOU 3890 CG1 ILE D 113 977 2680 2355 257 -174 -288 C ATOM 3891 CG2 ILE D 113 -17.417 0.178 -37.852 1.00 17.29 C ANISOU 3891 CG2 ILE D 113 1759 2303 2504 66 -144 -210 C ATOM 3892 CD1 ILE D 113 -14.836 1.849 -38.320 1.00 18.13 C ANISOU 3892 CD1 ILE D 113 1623 2762 2505 282 -416 -125 C ATOM 0 H ILE D 113 -17.652 2.926 -40.663 1.00 16.46 H new ATOM 0 HA ILE D 113 -18.094 0.306 -40.427 1.00 15.65 H new ATOM 0 HB ILE D 113 -17.401 2.159 -38.396 1.00 16.24 H new ATOM 0 HG12 ILE D 113 -15.556 0.428 -39.655 1.00 15.83 H new ATOM 0 HG13 ILE D 113 -15.766 1.882 -40.178 1.00 15.83 H new ATOM 0 HG21 ILE D 113 -16.776 0.277 -37.130 1.00 17.29 H new ATOM 0 HG22 ILE D 113 -18.317 0.200 -37.490 1.00 17.29 H new ATOM 0 HG23 ILE D 113 -17.270 -0.669 -38.301 1.00 17.29 H new ATOM 0 HD11 ILE D 113 -13.935 1.850 -38.679 1.00 18.13 H new ATOM 0 HD12 ILE D 113 -15.085 2.753 -38.070 1.00 18.13 H new ATOM 0 HD13 ILE D 113 -14.871 1.276 -37.538 1.00 18.13 H new ATOM 3893 N GLN D 114 -20.426 0.176 -39.630 1.00 16.67 N ANISOU 3893 N GLN D 114 1484 2119 2727 309 -343 -123 N ATOM 3894 CA GLN D 114 -21.766 0.118 -39.074 1.00 19.83 C ANISOU 3894 CA GLN D 114 1712 2634 3189 -19 -214 -240 C ATOM 3895 C GLN D 114 -21.727 -0.500 -37.669 1.00 18.42 C ANISOU 3895 C GLN D 114 1778 2334 2886 -8 -57 -326 C ATOM 3896 O GLN D 114 -22.511 -0.108 -36.793 1.00 18.90 O ANISOU 3896 O GLN D 114 1090 2827 3262 193 -83 -316 O ATOM 3897 CB GLN D 114 -22.644 -0.723 -40.029 1.00 21.15 C ANISOU 3897 CB GLN D 114 1453 3150 3431 -205 -593 -144 C ATOM 3898 CG GLN D 114 -24.067 -0.839 -39.780 1.00 26.23 C ANISOU 3898 CG GLN D 114 2427 3462 4075 -61 -187 -37 C ATOM 3899 CD GLN D 114 -24.728 -1.622 -40.959 1.00 32.95 C ANISOU 3899 CD GLN D 114 3936 4084 4500 -154 -507 -98 C ATOM 3900 OE1 GLN D 114 -24.629 -2.849 -41.039 1.00 42.22 O ANISOU 3900 OE1 GLN D 114 5502 4898 5641 -40 -180 61 O ATOM 3901 NE2 GLN D 114 -25.262 -0.885 -41.937 1.00 38.60 N ANISOU 3901 NE2 GLN D 114 4607 4815 5242 128 -41 326 N ATOM 0 H GLN D 114 -20.190 -0.515 -40.085 1.00 16.67 H new ATOM 0 HA GLN D 114 -22.140 1.009 -38.990 1.00 19.83 H new ATOM 0 HB2 GLN D 114 -22.535 -0.357 -40.921 1.00 21.15 H new ATOM 0 HB3 GLN D 114 -22.278 -1.621 -40.044 1.00 21.15 H new ATOM 0 HG2 GLN D 114 -24.224 -1.301 -38.942 1.00 26.23 H new ATOM 0 HG3 GLN D 114 -24.465 0.042 -39.698 1.00 26.23 H new ATOM 0 HE21 GLN D 114 -25.317 -0.031 -41.851 1.00 38.60 H new ATOM 0 HE22 GLN D 114 -25.551 -1.265 -42.653 1.00 38.60 H new ATOM 3902 N THR D 115 -20.942 -1.561 -37.477 1.00 18.83 N ANISOU 3902 N THR D 115 1761 2405 2986 17 -185 -215 N ATOM 3903 CA ATHR D 115 -20.836 -2.280 -36.231 0.60 20.36 C ANISOU 3903 CA ATHR D 115 2056 2693 2986 112 44 -80 C ATOM 3904 CA BTHR D 115 -20.775 -2.142 -36.156 0.40 19.84 C ANISOU 3904 CA BTHR D 115 2055 2568 2914 155 35 -92 C ATOM 3905 C THR D 115 -19.343 -2.594 -35.977 1.00 19.20 C ANISOU 3905 C THR D 115 2065 2585 2643 388 84 -50 C ATOM 3906 O THR D 115 -18.629 -2.963 -36.940 1.00 19.39 O ANISOU 3906 O THR D 115 2173 2602 2591 603 88 -248 O ATOM 3907 CB ATHR D 115 -21.629 -3.611 -36.286 0.60 23.06 C ANISOU 3907 CB ATHR D 115 2695 2793 3272 81 8 -94 C ATOM 3908 CB BTHR D 115 -21.633 -3.380 -35.856 0.40 21.38 C ANISOU 3908 CB BTHR D 115 2459 2634 3028 120 -82 24 C ATOM 3909 OG1ATHR D 115 -21.691 -4.178 -34.972 0.60 28.78 O ANISOU 3909 OG1ATHR D 115 3539 3571 3825 -368 -178 6 O ATOM 3910 OG1BTHR D 115 -21.004 -4.537 -36.419 0.40 24.95 O ANISOU 3910 OG1BTHR D 115 2837 3050 3592 2 -8 -121 O ATOM 3911 CG2ATHR D 115 -20.956 -4.616 -37.223 0.60 26.53 C ANISOU 3911 CG2ATHR D 115 3095 3401 3582 -44 75 7 C ATOM 3912 CG2BTHR D 115 -23.048 -3.218 -36.350 0.40 18.32 C ANISOU 3912 CG2BTHR D 115 1872 2083 3006 -20 181 -76 C ATOM 0 H ATHR D 115 -20.443 -1.885 -38.098 0.60 18.83 H new ATOM 0 H BTHR D 115 -20.500 -1.955 -38.101 0.40 18.83 H new ATOM 0 HA ATHR D 115 -21.205 -1.734 -35.519 0.60 19.84 H new ATOM 0 HA BTHR D 115 -21.050 -1.432 -35.556 0.40 19.84 H new ATOM 0 HB ATHR D 115 -22.520 -3.421 -36.620 0.60 21.38 H new ATOM 0 HB BTHR D 115 -21.695 -3.491 -34.894 0.40 21.38 H new ATOM 0 HG1ATHR D 115 -21.571 -3.574 -34.400 0.60 24.95 H new ATOM 0 HG1BTHR D 115 -20.695 -5.016 -35.802 0.40 24.95 H new ATOM 0 HG21ATHR D 115 -21.471 -5.438 -37.240 0.60 18.32 H new ATOM 0 HG21BTHR D 115 -23.557 -4.017 -36.143 0.40 18.32 H new ATOM 0 HG22ATHR D 115 -20.912 -4.245 -38.118 0.60 18.32 H new ATOM 0 HG22BTHR D 115 -23.457 -2.453 -35.916 0.40 18.32 H new ATOM 0 HG23ATHR D 115 -20.058 -4.803 -36.906 0.60 18.32 H new ATOM 0 HG23BTHR D 115 -23.042 -3.079 -37.310 0.40 18.32 H new ATOM 3913 N AMET D 116 -18.880 -2.474 -34.719 0.50 18.11 N ANISOU 3913 N AMET D 116 1488 2845 2546 647 272 99 N ATOM 3914 N BMET D 116 -18.865 -2.461 -34.759 0.50 20.54 N ANISOU 3914 N BMET D 116 2149 2960 2694 531 217 17 N ATOM 3915 CA AMET D 116 -17.484 -2.792 -34.306 0.50 15.53 C ANISOU 3915 CA AMET D 116 952 2524 2422 647 171 120 C ATOM 3916 CA BMET D 116 -17.588 -3.036 -34.470 0.50 19.54 C ANISOU 3916 CA BMET D 116 1948 2836 2637 481 116 6 C ATOM 3917 C AMET D 116 -17.575 -3.586 -32.999 0.50 16.61 C ANISOU 3917 C AMET D 116 1354 2565 2388 615 239 115 C ATOM 3918 C BMET D 116 -17.790 -3.768 -33.167 0.50 19.01 C ANISOU 3918 C BMET D 116 1926 2753 2544 558 224 27 C ATOM 3919 O AMET D 116 -18.221 -3.101 -32.007 0.50 17.06 O ANISOU 3919 O AMET D 116 1546 2530 2404 534 143 130 O ATOM 3920 O BMET D 116 -18.694 -3.434 -32.365 0.50 18.91 O ANISOU 3920 O BMET D 116 1717 2938 2528 436 413 -14 O ATOM 3921 CB AMET D 116 -16.753 -1.508 -33.988 0.50 16.50 C ANISOU 3921 CB AMET D 116 1081 2660 2528 573 155 117 C ATOM 3922 CB BMET D 116 -16.538 -1.965 -34.337 0.50 21.03 C ANISOU 3922 CB BMET D 116 2456 2714 2817 447 106 -77 C ATOM 3923 CG AMET D 116 -15.315 -1.739 -33.853 0.50 21.87 C ANISOU 3923 CG AMET D 116 1873 3530 2904 218 -177 -21 C ATOM 3924 CG BMET D 116 -15.179 -2.564 -34.049 0.50 23.14 C ANISOU 3924 CG BMET D 116 2901 2779 3111 280 16 -193 C ATOM 3925 SD AMET D 116 -14.775 -2.227 -32.175 0.50 23.01 S ANISOU 3925 SD AMET D 116 2674 3155 2912 -673 -327 23 S ATOM 3926 SD BMET D 116 -14.056 -1.233 -33.756 0.50 27.85 S ANISOU 3926 SD BMET D 116 2528 4276 3776 5 433 -629 S ATOM 3927 CE AMET D 116 -14.079 -0.658 -31.672 0.50 25.14 C ANISOU 3927 CE AMET D 116 2530 3402 3618 -220 -265 -260 C ATOM 3928 CE BMET D 116 -14.638 -0.584 -32.211 0.50 29.17 C ANISOU 3928 CE BMET D 116 3673 3923 3485 202 20 -210 C ATOM 0 H AMET D 116 -19.372 -2.202 -34.068 0.50 20.54 H new ATOM 0 H BMET D 116 -19.253 -2.054 -34.108 0.50 20.54 H new ATOM 0 HA AMET D 116 -17.026 -3.279 -35.009 0.50 19.54 H new ATOM 0 HA BMET D 116 -17.278 -3.626 -35.175 0.50 19.54 H new ATOM 0 HB2AMET D 116 -16.914 -0.858 -34.690 0.50 21.03 H new ATOM 0 HB2BMET D 116 -16.498 -1.444 -35.154 0.50 21.03 H new ATOM 0 HB3AMET D 116 -17.101 -1.130 -33.166 0.50 21.03 H new ATOM 0 HB3BMET D 116 -16.783 -1.355 -33.624 0.50 21.03 H new ATOM 0 HG2AMET D 116 -15.051 -2.431 -34.479 0.50 23.14 H new ATOM 0 HG2BMET D 116 -15.222 -3.149 -33.277 0.50 23.14 H new ATOM 0 HG3AMET D 116 -14.844 -0.930 -34.109 0.50 23.14 H new ATOM 0 HG3BMET D 116 -14.879 -3.103 -34.797 0.50 23.14 H new ATOM 0 HE1AMET D 116 -13.745 -0.728 -30.764 0.50 29.17 H new ATOM 0 HE1BMET D 116 -13.934 -0.066 -31.792 0.50 29.17 H new ATOM 0 HE2AMET D 116 -13.351 -0.421 -32.267 0.50 29.17 H new ATOM 0 HE2BMET D 116 -15.408 -0.015 -32.368 0.50 29.17 H new ATOM 0 HE3AMET D 116 -14.764 0.028 -31.711 0.50 29.17 H new ATOM 0 HE3BMET D 116 -14.891 -1.316 -31.627 0.50 29.17 H new ATOM 3929 N GLN D 117 -16.961 -4.778 -33.006 1.00 18.11 N ANISOU 3929 N GLN D 117 1745 2692 2443 564 116 90 N ATOM 3930 CA GLN D 117 -16.865 -5.563 -31.803 1.00 19.04 C ANISOU 3930 CA GLN D 117 1893 2668 2671 331 216 85 C ATOM 3931 C GLN D 117 -15.376 -5.711 -31.491 1.00 16.59 C ANISOU 3931 C GLN D 117 1638 2472 2194 421 317 -72 C ATOM 3932 O GLN D 117 -14.632 -6.116 -32.344 1.00 16.34 O ANISOU 3932 O GLN D 117 1105 2875 2226 140 129 -197 O ATOM 3933 CB GLN D 117 -17.480 -6.921 -32.047 1.00 18.35 C ANISOU 3933 CB GLN D 117 1164 2867 2940 105 230 252 C ATOM 3934 CG GLN D 117 -19.000 -6.896 -32.362 1.00 24.90 C ANISOU 3934 CG GLN D 117 840 4345 4274 93 123 -57 C ATOM 3935 CD GLN D 117 -19.133 -8.148 -33.157 1.00 35.44 C ANISOU 3935 CD GLN D 117 3790 4813 4862 -77 13 -171 C ATOM 3936 OE1 GLN D 117 -18.920 -8.146 -34.387 1.00 41.76 O ANISOU 3936 OE1 GLN D 117 4844 5942 5081 126 -85 -61 O ATOM 3937 NE2 GLN D 117 -19.252 -9.257 -32.457 1.00 39.94 N ANISOU 3937 NE2 GLN D 117 4345 5370 5457 -93 -61 21 N ATOM 0 H AGLN D 117 -16.600 -5.135 -33.700 0.50 18.11 H new ATOM 0 H BGLN D 117 -16.417 -5.034 -33.621 0.50 18.11 H new ATOM 0 HA GLN D 117 -17.332 -5.143 -31.064 1.00 19.04 H new ATOM 0 HB2 GLN D 117 -17.016 -7.345 -32.786 1.00 18.35 H new ATOM 0 HB3 GLN D 117 -17.333 -7.475 -31.264 1.00 18.35 H new ATOM 0 HG2 GLN D 117 -19.543 -6.910 -31.559 1.00 24.90 H new ATOM 0 HG3 GLN D 117 -19.259 -6.109 -32.867 1.00 24.90 H new ATOM 0 HE21 GLN D 117 -19.399 -9.218 -31.611 1.00 39.94 H new ATOM 0 HE22 GLN D 117 -19.183 -10.021 -32.846 1.00 39.94 H new ATOM 3938 N ALA D 118 -15.002 -5.340 -30.271 1.00 17.59 N ANISOU 3938 N ALA D 118 1843 2546 2293 453 71 -17 N ATOM 3939 CA ALA D 118 -13.606 -5.444 -29.844 1.00 17.94 C ANISOU 3939 CA ALA D 118 1933 2479 2401 410 17 -24 C ATOM 3940 C ALA D 118 -13.447 -6.575 -28.849 1.00 18.60 C ANISOU 3940 C ALA D 118 2363 2674 2028 324 221 24 C ATOM 3941 O ALA D 118 -13.960 -6.497 -27.761 1.00 24.02 O ANISOU 3941 O ALA D 118 3332 3245 2549 1136 565 201 O ATOM 3942 CB ALA D 118 -13.070 -4.106 -29.155 1.00 20.80 C ANISOU 3942 CB ALA D 118 2571 2704 2627 305 -55 -121 C ATOM 0 H ALA D 118 -15.537 -5.026 -29.675 1.00 17.59 H new ATOM 0 HA ALA D 118 -13.088 -5.607 -30.648 1.00 17.94 H new ATOM 0 HB1 ALA D 118 -12.144 -4.226 -28.891 1.00 20.80 H new ATOM 0 HB2 ALA D 118 -13.134 -3.370 -29.784 1.00 20.80 H new ATOM 0 HB3 ALA D 118 -13.606 -3.908 -28.371 1.00 20.80 H new ATOM 3943 N TYR D 119 -12.643 -7.550 -29.162 1.00 15.55 N ANISOU 3943 N TYR D 119 1624 2323 1958 106 -134 -141 N ATOM 3944 CA TYR D 119 -12.414 -8.701 -28.334 1.00 15.45 C ANISOU 3944 CA TYR D 119 1732 2319 1819 -148 -295 -171 C ATOM 3945 C TYR D 119 -11.118 -8.524 -27.542 1.00 14.73 C ANISOU 3945 C TYR D 119 1522 2243 1832 -240 -136 -142 C ATOM 3946 O TYR D 119 -10.038 -8.347 -28.142 1.00 14.63 O ANISOU 3946 O TYR D 119 1247 2464 1844 -9 19 47 O ATOM 3947 CB TYR D 119 -12.272 -9.977 -29.174 1.00 15.83 C ANISOU 3947 CB TYR D 119 1654 2246 2115 -213 -336 -147 C ATOM 3948 CG TYR D 119 -13.571 -10.360 -29.831 1.00 16.02 C ANISOU 3948 CG TYR D 119 1609 2181 2295 -165 -148 20 C ATOM 3949 CD1 TYR D 119 -13.932 -9.827 -31.036 1.00 16.34 C ANISOU 3949 CD1 TYR D 119 1508 2422 2279 -100 -414 -175 C ATOM 3950 CD2 TYR D 119 -14.401 -11.303 -29.232 1.00 20.34 C ANISOU 3950 CD2 TYR D 119 2227 2896 2605 -337 -103 53 C ATOM 3951 CE1 TYR D 119 -15.160 -10.119 -31.639 1.00 18.17 C ANISOU 3951 CE1 TYR D 119 1966 2316 2620 -71 -488 -150 C ATOM 3952 CE2 TYR D 119 -15.646 -11.628 -29.853 1.00 21.21 C ANISOU 3952 CE2 TYR D 119 1373 3438 3245 -685 -78 354 C ATOM 3953 CZ TYR D 119 -16.032 -11.017 -31.071 1.00 20.01 C ANISOU 3953 CZ TYR D 119 1571 2819 3209 -263 -391 -51 C ATOM 3954 OH TYR D 119 -17.299 -11.313 -31.663 1.00 25.25 O ANISOU 3954 OH TYR D 119 1485 4132 3976 -419 -338 -528 O ATOM 0 H TYR D 119 -12.193 -7.564 -29.895 1.00 15.55 H new ATOM 0 HA TYR D 119 -13.177 -8.785 -27.741 1.00 15.45 H new ATOM 0 HB2 TYR D 119 -11.593 -9.843 -29.853 1.00 15.83 H new ATOM 0 HB3 TYR D 119 -11.968 -10.704 -28.609 1.00 15.83 H new ATOM 0 HD1 TYR D 119 -13.343 -9.252 -31.469 1.00 16.34 H new ATOM 0 HD2 TYR D 119 -14.149 -11.716 -28.438 1.00 20.34 H new ATOM 0 HE1 TYR D 119 -15.390 -9.699 -32.436 1.00 18.17 H new ATOM 0 HE2 TYR D 119 -16.210 -12.249 -29.452 1.00 21.21 H new ATOM 0 HH TYR D 119 -17.215 -11.359 -32.498 1.00 25.25 H new ATOM 3955 N TRP D 120 -11.229 -8.568 -26.214 1.00 15.00 N ANISOU 3955 N TRP D 120 1445 2573 1679 20 -159 -148 N ATOM 3956 CA TRP D 120 -10.093 -8.520 -25.298 1.00 15.67 C ANISOU 3956 CA TRP D 120 1757 2576 1621 -354 -321 -39 C ATOM 3957 C TRP D 120 -10.641 -8.640 -23.917 1.00 17.69 C ANISOU 3957 C TRP D 120 2006 2795 1919 -257 -122 -248 C ATOM 3958 O TRP D 120 -11.810 -8.416 -23.702 1.00 18.00 O ANISOU 3958 O TRP D 120 1866 2930 2042 -164 -32 -141 O ATOM 3959 CB TRP D 120 -9.293 -7.216 -25.412 1.00 18.58 C ANISOU 3959 CB TRP D 120 2199 2692 2166 -285 -119 -86 C ATOM 3960 CG TRP D 120 -10.025 -5.945 -25.087 1.00 19.26 C ANISOU 3960 CG TRP D 120 2318 2708 2288 -362 -121 -175 C ATOM 3961 CD1 TRP D 120 -10.798 -5.179 -25.950 1.00 21.31 C ANISOU 3961 CD1 TRP D 120 2645 2839 2612 -55 171 -44 C ATOM 3962 CD2 TRP D 120 -10.084 -5.269 -23.830 1.00 20.37 C ANISOU 3962 CD2 TRP D 120 2783 2489 2467 -446 -175 -24 C ATOM 3963 NE1 TRP D 120 -11.295 -4.065 -25.299 1.00 22.50 N ANISOU 3963 NE1 TRP D 120 2924 2702 2923 -4 -337 -129 N ATOM 3964 CE2 TRP D 120 -10.892 -4.116 -23.999 1.00 24.25 C ANISOU 3964 CE2 TRP D 120 3696 2774 2743 -181 -9 -203 C ATOM 3965 CE3 TRP D 120 -9.556 -5.551 -22.561 1.00 22.38 C ANISOU 3965 CE3 TRP D 120 3427 2739 2335 -515 -328 -286 C ATOM 3966 CZ2 TRP D 120 -11.160 -3.220 -22.944 1.00 25.09 C ANISOU 3966 CZ2 TRP D 120 3710 2808 3014 113 -173 -413 C ATOM 3967 CZ3 TRP D 120 -9.792 -4.612 -21.500 1.00 24.28 C ANISOU 3967 CZ3 TRP D 120 3480 2887 2856 -120 -57 -461 C ATOM 3968 CH2 TRP D 120 -10.573 -3.472 -21.730 1.00 26.56 C ANISOU 3968 CH2 TRP D 120 4031 3206 2854 13 -141 -244 C ATOM 0 H TRP D 120 -11.987 -8.628 -25.813 1.00 15.00 H new ATOM 0 HA TRP D 120 -9.482 -9.241 -25.518 1.00 15.67 H new ATOM 0 HB2 TRP D 120 -8.523 -7.281 -24.825 1.00 18.58 H new ATOM 0 HB3 TRP D 120 -8.954 -7.147 -26.318 1.00 18.58 H new ATOM 0 HD1 TRP D 120 -10.959 -5.387 -26.842 1.00 21.31 H new ATOM 0 HE1 TRP D 120 -11.776 -3.446 -25.654 1.00 22.50 H new ATOM 0 HE3 TRP D 120 -9.065 -6.327 -22.411 1.00 22.38 H new ATOM 0 HZ2 TRP D 120 -11.715 -2.484 -23.067 1.00 25.09 H new ATOM 0 HZ3 TRP D 120 -9.425 -4.761 -20.658 1.00 24.28 H new ATOM 0 HH2 TRP D 120 -10.698 -2.865 -21.036 1.00 26.56 H new ATOM 3969 N SER D 121 -9.808 -9.061 -22.990 1.00 17.51 N ANISOU 3969 N SER D 121 2342 2763 1546 -402 -406 -161 N ATOM 3970 CA SER D 121 -10.136 -8.999 -21.594 1.00 20.50 C ANISOU 3970 CA SER D 121 2646 3050 2092 -339 -269 -113 C ATOM 3971 C SER D 121 -8.855 -8.658 -20.819 1.00 19.81 C ANISOU 3971 C SER D 121 2833 2825 1869 -359 -330 -139 C ATOM 3972 O SER D 121 -7.834 -8.405 -21.430 1.00 18.52 O ANISOU 3972 O SER D 121 2576 2651 1809 -168 -495 -219 O ATOM 3973 CB SER D 121 -10.804 -10.292 -21.132 1.00 22.38 C ANISOU 3973 CB SER D 121 2823 3355 2323 -506 -137 -41 C ATOM 3974 OG SER D 121 -9.909 -11.356 -21.114 1.00 25.21 O ANISOU 3974 OG SER D 121 3502 3308 2767 -638 -123 113 O ATOM 0 H SER D 121 -9.032 -9.392 -23.157 1.00 17.51 H new ATOM 0 HA SER D 121 -10.788 -8.302 -21.422 1.00 20.50 H new ATOM 0 HB2 SER D 121 -11.175 -10.166 -20.245 1.00 22.38 H new ATOM 0 HB3 SER D 121 -11.545 -10.502 -21.722 1.00 22.38 H new ATOM 0 HG SER D 121 -10.005 -11.815 -21.811 1.00 25.21 H new ATOM 3975 N GLU D 122 -8.914 -8.691 -19.491 1.00 21.05 N ANISOU 3975 N GLU D 122 2850 3054 2091 -162 -298 -151 N ATOM 3976 CA GLU D 122 -7.779 -8.300 -18.696 1.00 22.20 C ANISOU 3976 CA GLU D 122 3023 3468 1943 -78 -357 -197 C ATOM 3977 C GLU D 122 -6.605 -9.236 -18.917 1.00 23.50 C ANISOU 3977 C GLU D 122 3011 3708 2210 -120 -286 56 C ATOM 3978 O GLU D 122 -5.457 -8.798 -18.804 1.00 26.49 O ANISOU 3978 O GLU D 122 3286 4675 2103 -269 -407 104 O ATOM 3979 CB GLU D 122 -8.190 -8.176 -17.218 1.00 23.85 C ANISOU 3979 CB GLU D 122 3352 3569 2140 -126 -414 -316 C ATOM 3980 CG GLU D 122 -9.385 -7.180 -17.039 1.00 29.19 C ANISOU 3980 CG GLU D 122 3619 4104 3368 -21 -184 -278 C ATOM 3981 CD GLU D 122 -10.822 -7.825 -17.226 1.00 28.19 C ANISOU 3981 CD GLU D 122 3089 4152 3468 104 279 -348 C ATOM 3982 OE1 GLU D 122 -10.923 -8.995 -17.681 1.00 27.54 O ANISOU 3982 OE1 GLU D 122 3634 4072 2755 -243 30 -441 O ATOM 3983 OE2 GLU D 122 -11.867 -7.173 -16.878 1.00 34.44 O ANISOU 3983 OE2 GLU D 122 4329 4810 3944 589 -32 -863 O ATOM 0 H GLU D 122 -9.604 -8.937 -19.040 1.00 21.05 H new ATOM 0 HA GLU D 122 -7.474 -7.424 -18.981 1.00 22.20 H new ATOM 0 HB2 GLU D 122 -8.440 -9.049 -16.876 1.00 23.85 H new ATOM 0 HB3 GLU D 122 -7.432 -7.872 -16.694 1.00 23.85 H new ATOM 0 HG2 GLU D 122 -9.333 -6.788 -16.153 1.00 29.19 H new ATOM 0 HG3 GLU D 122 -9.284 -6.456 -17.676 1.00 29.19 H new ATOM 3984 N VAL D 123 -6.888 -10.454 -19.368 1.00 24.28 N ANISOU 3984 N VAL D 123 3217 3448 2559 194 -212 260 N ATOM 3985 CA VAL D 123 -5.908 -11.467 -19.752 1.00 27.11 C ANISOU 3985 CA VAL D 123 3576 3646 3077 141 -2 154 C ATOM 3986 C VAL D 123 -4.968 -10.892 -20.851 1.00 24.33 C ANISOU 3986 C VAL D 123 2981 3419 2843 207 -79 364 C ATOM 3987 O VAL D 123 -3.796 -11.288 -20.951 1.00 28.19 O ANISOU 3987 O VAL D 123 3397 4230 3082 703 -145 732 O ATOM 3988 CB VAL D 123 -6.570 -12.922 -20.180 1.00 25.96 C ANISOU 3988 CB VAL D 123 3650 3302 2911 114 -266 245 C ATOM 3989 CG1 VAL D 123 -7.428 -13.485 -19.067 1.00 31.61 C ANISOU 3989 CG1 VAL D 123 4154 3979 3875 -209 -237 197 C ATOM 3990 CG2 VAL D 123 -7.472 -12.850 -21.363 1.00 27.58 C ANISOU 3990 CG2 VAL D 123 3313 3668 3497 -28 -205 117 C ATOM 0 H VAL D 123 -7.698 -10.726 -19.463 1.00 24.28 H new ATOM 0 HA VAL D 123 -5.383 -11.673 -18.963 1.00 27.11 H new ATOM 0 HB VAL D 123 -5.799 -13.476 -20.379 1.00 25.96 H new ATOM 0 HG11 VAL D 123 -7.802 -14.336 -19.345 1.00 31.61 H new ATOM 0 HG12 VAL D 123 -6.885 -13.615 -18.274 1.00 31.61 H new ATOM 0 HG13 VAL D 123 -8.148 -12.866 -18.868 1.00 31.61 H new ATOM 0 HG21 VAL D 123 -7.823 -13.733 -21.557 1.00 27.58 H new ATOM 0 HG22 VAL D 123 -8.206 -12.245 -21.174 1.00 27.58 H new ATOM 0 HG23 VAL D 123 -6.975 -12.524 -22.130 1.00 27.58 H new ATOM 3991 N ASN D 124 -5.441 -9.914 -21.629 1.00 21.04 N ANISOU 3991 N ASN D 124 2845 2778 2371 96 -540 189 N ATOM 3992 CA ASN D 124 -4.729 -9.356 -22.754 1.00 19.85 C ANISOU 3992 CA ASN D 124 2418 2816 2306 63 -477 -102 C ATOM 3993 C ASN D 124 -4.014 -8.059 -22.429 1.00 20.00 C ANISOU 3993 C ASN D 124 2769 2833 1994 -56 -493 33 C ATOM 3994 O ASN D 124 -3.467 -7.437 -23.291 1.00 21.19 O ANISOU 3994 O ASN D 124 3128 2871 2051 -230 -652 -83 O ATOM 3995 CB ASN D 124 -5.767 -9.114 -23.887 1.00 17.83 C ANISOU 3995 CB ASN D 124 1963 2474 2335 -135 -667 -113 C ATOM 3996 CG ASN D 124 -6.342 -10.403 -24.417 1.00 19.24 C ANISOU 3996 CG ASN D 124 2238 2665 2407 393 -280 15 C ATOM 3997 OD1 ASN D 124 -7.568 -10.576 -24.367 1.00 19.10 O ANISOU 3997 OD1 ASN D 124 2529 2651 2074 110 -293 -136 O ATOM 3998 ND2 ASN D 124 -5.441 -11.334 -24.876 1.00 19.26 N ANISOU 3998 ND2 ASN D 124 2336 2545 2436 477 -401 -63 N ATOM 0 H ASN D 124 -6.211 -9.553 -21.503 1.00 21.04 H new ATOM 0 HA ASN D 124 -4.038 -9.982 -23.020 1.00 19.85 H new ATOM 0 HB2 ASN D 124 -6.485 -8.555 -23.551 1.00 17.83 H new ATOM 0 HB3 ASN D 124 -5.344 -8.628 -24.612 1.00 17.83 H new ATOM 0 HD21 ASN D 124 -5.718 -12.099 -25.155 1.00 19.26 H new ATOM 0 HD22 ASN D 124 -4.601 -11.151 -24.885 1.00 19.26 H new ATOM 3999 N LEU D 125 -4.025 -7.689 -21.148 1.00 22.96 N ANISOU 3999 N LEU D 125 3227 3309 2186 -6 -739 3 N ATOM 4000 CA LEU D 125 -3.295 -6.514 -20.718 1.00 24.47 C ANISOU 4000 CA LEU D 125 3189 3416 2688 -33 -567 54 C ATOM 4001 C LEU D 125 -1.916 -6.908 -20.229 1.00 24.71 C ANISOU 4001 C LEU D 125 3078 3548 2761 -87 -565 77 C ATOM 4002 O LEU D 125 -1.778 -7.874 -19.548 1.00 25.17 O ANISOU 4002 O LEU D 125 2668 3795 3101 25 -914 250 O ATOM 4003 CB LEU D 125 -3.987 -5.931 -19.501 1.00 26.22 C ANISOU 4003 CB LEU D 125 3240 3762 2958 -156 -310 -222 C ATOM 4004 CG LEU D 125 -3.956 -4.410 -19.395 1.00 33.39 C ANISOU 4004 CG LEU D 125 4277 4331 4077 -6 167 -172 C ATOM 4005 CD1 LEU D 125 -4.344 -3.936 -17.943 1.00 36.46 C ANISOU 4005 CD1 LEU D 125 4570 5097 4184 158 403 -359 C ATOM 4006 CD2 LEU D 125 -2.765 -3.739 -19.852 1.00 34.30 C ANISOU 4006 CD2 LEU D 125 4079 4466 4486 -148 178 -407 C ATOM 0 H LEU D 125 -4.446 -8.104 -20.524 1.00 22.96 H new ATOM 0 HA LEU D 125 -3.250 -5.896 -21.464 1.00 24.47 H new ATOM 0 HB2 LEU D 125 -4.913 -6.221 -19.505 1.00 26.22 H new ATOM 0 HB3 LEU D 125 -3.576 -6.304 -18.705 1.00 26.22 H new ATOM 0 HG LEU D 125 -4.628 -4.133 -20.037 1.00 33.39 H new ATOM 0 HD11 LEU D 125 -4.317 -2.967 -17.901 1.00 36.46 H new ATOM 0 HD12 LEU D 125 -5.239 -4.244 -17.730 1.00 36.46 H new ATOM 0 HD13 LEU D 125 -3.715 -4.305 -17.303 1.00 36.46 H new ATOM 0 HD21 LEU D 125 -2.867 -2.782 -19.733 1.00 34.30 H new ATOM 0 HD22 LEU D 125 -2.002 -4.049 -19.339 1.00 34.30 H new ATOM 0 HD23 LEU D 125 -2.623 -3.935 -20.791 1.00 34.30 H new ATOM 4007 N SER D 126 -0.936 -6.103 -20.548 1.00 24.65 N ANISOU 4007 N SER D 126 2482 4011 2870 26 -1011 159 N ATOM 4008 CA SER D 126 0.397 -6.282 -19.951 1.00 27.92 C ANISOU 4008 CA SER D 126 2989 4314 3303 35 -897 145 C ATOM 4009 C SER D 126 0.852 -4.960 -19.362 1.00 29.97 C ANISOU 4009 C SER D 126 3474 4266 3644 -69 -666 191 C ATOM 4010 O SER D 126 0.924 -3.985 -20.058 1.00 28.88 O ANISOU 4010 O SER D 126 3090 4413 3470 -215 -1076 139 O ATOM 4011 CB SER D 126 1.418 -6.730 -20.996 1.00 29.67 C ANISOU 4011 CB SER D 126 3358 4185 3728 93 -639 40 C ATOM 4012 OG SER D 126 0.956 -7.860 -21.724 1.00 35.56 O ANISOU 4012 OG SER D 126 3864 5095 4551 113 -574 -223 O ATOM 0 H SER D 126 -1.002 -5.448 -21.101 1.00 24.65 H new ATOM 0 HA SER D 126 0.336 -6.966 -19.266 1.00 27.92 H new ATOM 0 HB2 SER D 126 1.597 -6.000 -21.609 1.00 29.67 H new ATOM 0 HB3 SER D 126 2.257 -6.946 -20.559 1.00 29.67 H new ATOM 0 HG SER D 126 0.519 -7.603 -22.393 1.00 35.56 H new ATOM 4013 N VAL D 127 1.206 -4.930 -18.067 1.00 33.70 N ANISOU 4013 N VAL D 127 4242 4665 3896 -172 -539 210 N ATOM 4014 CA VAL D 127 1.617 -3.652 -17.455 1.00 38.46 C ANISOU 4014 CA VAL D 127 4875 5076 4659 -121 -362 129 C ATOM 4015 C VAL D 127 3.118 -3.716 -17.450 1.00 39.44 C ANISOU 4015 C VAL D 127 4887 5118 4980 -85 -350 113 C ATOM 4016 O VAL D 127 3.667 -4.742 -17.029 1.00 41.38 O ANISOU 4016 O VAL D 127 5109 5355 5260 -155 -532 225 O ATOM 4017 CB VAL D 127 1.088 -3.449 -15.994 1.00 40.11 C ANISOU 4017 CB VAL D 127 5167 5156 4917 -79 -181 97 C ATOM 4018 CG1 VAL D 127 1.992 -4.103 -15.012 1.00 41.99 C ANISOU 4018 CG1 VAL D 127 5232 5504 5218 0 -244 9 C ATOM 4019 CG2 VAL D 127 1.059 -1.989 -15.628 1.00 42.46 C ANISOU 4019 CG2 VAL D 127 5474 5371 5285 19 -175 36 C ATOM 0 H VAL D 127 1.216 -5.611 -17.542 1.00 33.70 H new ATOM 0 HA VAL D 127 1.250 -2.905 -17.954 1.00 38.46 H new ATOM 0 HB VAL D 127 0.198 -3.834 -15.967 1.00 40.11 H new ATOM 0 HG11 VAL D 127 1.649 -3.967 -14.115 1.00 41.99 H new ATOM 0 HG12 VAL D 127 2.039 -5.054 -15.199 1.00 41.99 H new ATOM 0 HG13 VAL D 127 2.879 -3.716 -15.081 1.00 41.99 H new ATOM 0 HG21 VAL D 127 0.729 -1.889 -14.721 1.00 42.46 H new ATOM 0 HG22 VAL D 127 1.955 -1.622 -15.688 1.00 42.46 H new ATOM 0 HG23 VAL D 127 0.474 -1.514 -16.239 1.00 42.46 H new TER 4020 VAL D 127 HETATM 4021 C1 IPH A 401 -1.464 -0.266 -3.108 1.00 30.18 C ANISOU 4021 C1 IPH A 401 4150 3379 3935 -275 -195 139 C HETATM 4022 C2 IPH A 401 -1.370 -1.304 -4.032 1.00 30.48 C ANISOU 4022 C2 IPH A 401 4055 3791 3734 -250 -60 -99 C HETATM 4023 C3 IPH A 401 -2.041 -1.213 -5.253 1.00 28.55 C ANISOU 4023 C3 IPH A 401 3247 3628 3970 -489 -192 95 C HETATM 4024 C4 IPH A 401 -2.847 -0.069 -5.483 1.00 33.87 C ANISOU 4024 C4 IPH A 401 4339 4078 4450 -36 -295 -63 C HETATM 4025 C5 IPH A 401 -2.938 0.973 -4.525 1.00 35.12 C ANISOU 4025 C5 IPH A 401 4550 4272 4521 95 -277 -73 C HETATM 4026 C6 IPH A 401 -2.268 0.867 -3.309 1.00 33.37 C ANISOU 4026 C6 IPH A 401 4174 3938 4566 -86 -325 22 C HETATM 4027 O1 IPH A 401 -0.769 -0.461 -1.949 1.00 24.80 O ANISOU 4027 O1 IPH A 401 2933 3192 3295 -467 -137 357 O HETATM 0 HO1 IPH A 401 -0.964 -1.213 -1.629 1.00 24.80 H new HETATM 0 H6 IPH A 401 -2.354 1.551 -2.626 1.00 33.37 H new HETATM 0 H5 IPH A 401 -3.469 1.762 -4.718 1.00 35.12 H new HETATM 0 H4 IPH A 401 -3.346 0.002 -6.312 1.00 33.87 H new HETATM 0 H3 IPH A 401 -1.959 -1.910 -5.923 1.00 28.55 H new HETATM 0 H2 IPH A 401 -0.839 -2.089 -3.827 1.00 30.48 H new HETATM 4028 C1 IPH B 402 -1.417 -22.860 5.812 1.00 29.70 C ANISOU 4028 C1 IPH B 402 3888 3600 3796 96 151 128 C HETATM 4029 C2 IPH B 402 -1.433 -21.825 6.752 1.00 31.67 C ANISOU 4029 C2 IPH B 402 4366 3924 3743 185 65 -125 C HETATM 4030 C3 IPH B 402 -2.117 -21.964 7.958 1.00 31.18 C ANISOU 4030 C3 IPH B 402 3736 3945 4166 307 70 33 C HETATM 4031 C4 IPH B 402 -2.785 -23.178 8.198 1.00 35.82 C ANISOU 4031 C4 IPH B 402 4653 4305 4650 -77 131 -132 C HETATM 4032 C5 IPH B 402 -2.765 -24.214 7.229 1.00 35.11 C ANISOU 4032 C5 IPH B 402 4530 4388 4420 185 313 -163 C HETATM 4033 C6 IPH B 402 -2.107 -24.047 6.015 1.00 33.42 C ANISOU 4033 C6 IPH B 402 4277 3926 4495 -7 93 207 C HETATM 4034 O1 IPH B 402 -0.757 -22.651 4.657 1.00 23.26 O ANISOU 4034 O1 IPH B 402 2844 2935 3059 468 110 13 O HETATM 0 H6 IPH B 402 -2.130 -24.737 5.333 1.00 33.42 H new HETATM 0 H5 IPH B 402 -3.217 -25.052 7.416 1.00 35.11 H new HETATM 0 H4 IPH B 402 -3.263 -23.308 9.032 1.00 35.82 H new HETATM 0 H3 IPH B 402 -2.132 -21.247 8.611 1.00 31.18 H new HETATM 0 H2 IPH B 402 -0.961 -20.999 6.562 1.00 31.67 H new HETATM 4035 C1 IPH C 403 -9.960 -22.872 -39.315 1.00 31.04 C ANISOU 4035 C1 IPH C 403 4151 3748 3892 9 432 -63 C HETATM 4036 C2 IPH C 403 -9.326 -24.104 -39.537 1.00 34.45 C ANISOU 4036 C2 IPH C 403 4445 4032 4612 -37 388 -173 C HETATM 4037 C3 IPH C 403 -8.662 -24.311 -40.742 1.00 35.99 C ANISOU 4037 C3 IPH C 403 4717 4456 4499 -160 219 -1 C HETATM 4038 C4 IPH C 403 -8.622 -23.280 -41.696 1.00 36.41 C ANISOU 4038 C4 IPH C 403 4877 4329 4625 3 18 -1 C HETATM 4039 C5 IPH C 403 -9.257 -22.051 -41.473 1.00 33.17 C ANISOU 4039 C5 IPH C 403 4287 4010 4305 -280 92 -124 C HETATM 4040 C6 IPH C 403 -9.930 -21.841 -40.273 1.00 30.83 C ANISOU 4040 C6 IPH C 403 4130 3573 4008 -319 181 -13 C HETATM 4041 O1 IPH C 403 -10.624 -22.652 -38.143 1.00 22.55 O ANISOU 4041 O1 IPH C 403 2696 2888 2983 -531 185 -283 O HETATM 0 HO1 IPH C 403 -10.416 -21.896 -37.841 1.00 22.55 H new HETATM 0 H6 IPH C 403 -10.372 -20.995 -40.099 1.00 30.83 H new HETATM 0 H5 IPH C 403 -9.228 -21.354 -42.147 1.00 33.17 H new HETATM 0 H4 IPH C 403 -8.144 -23.422 -42.528 1.00 36.41 H new HETATM 0 H3 IPH C 403 -8.230 -25.161 -40.922 1.00 35.99 H new HETATM 0 H2 IPH C 403 -9.350 -24.800 -38.862 1.00 34.45 H new HETATM 4042 C1 IPH D 404 -10.033 -0.307 -30.294 1.00 30.16 C ANISOU 4042 C1 IPH D 404 3631 3909 3919 137 -289 -85 C HETATM 4043 C2 IPH D 404 -9.417 0.889 -29.902 1.00 35.69 C ANISOU 4043 C2 IPH D 404 4639 4075 4845 112 -357 5 C HETATM 4044 C3 IPH D 404 -8.807 0.952 -28.647 1.00 37.32 C ANISOU 4044 C3 IPH D 404 4915 4564 4700 55 -271 56 C HETATM 4045 C4 IPH D 404 -8.823 -0.175 -27.793 1.00 35.41 C ANISOU 4045 C4 IPH D 404 4406 4393 4654 203 -357 -7 C HETATM 4046 C5 IPH D 404 -9.437 -1.371 -28.193 1.00 32.60 C ANISOU 4046 C5 IPH D 404 3921 4270 4192 285 -28 -113 C HETATM 4047 C6 IPH D 404 -10.035 -1.422 -29.450 1.00 30.41 C ANISOU 4047 C6 IPH D 404 3793 3780 3980 306 -245 154 C HETATM 4048 O1 IPH D 404 -10.631 -0.437 -31.505 1.00 23.69 O ANISOU 4048 O1 IPH D 404 2767 2987 3245 382 -408 -405 O HETATM 0 H6 IPH D 404 -10.459 -2.243 -29.744 1.00 30.41 H new HETATM 0 H5 IPH D 404 -9.445 -2.145 -27.608 1.00 32.60 H new HETATM 0 H4 IPH D 404 -8.404 -0.120 -26.920 1.00 35.41 H new HETATM 0 H3 IPH D 404 -8.372 1.770 -28.361 1.00 37.32 H new HETATM 0 H2 IPH D 404 -9.414 1.659 -30.492 1.00 35.69 H new HETATM 4049 O HOH A 402 -9.599 -12.323 3.780 1.00 19.23 O ANISOU 4049 O HOH A 402 1296 2990 3020 -262 -384 -223 O HETATM 4050 O HOH A 403 -4.445 15.131 6.152 1.00 23.54 O ANISOU 4050 O HOH A 403 1861 3311 3769 383 -400 36 O HETATM 4051 O HOH A 404 0.550 9.793 7.998 1.00 24.19 O ANISOU 4051 O HOH A 404 2357 3766 3065 -24 -162 -733 O HETATM 4052 O HOH A 405 -8.930 -10.770 -8.774 1.00 24.29 O ANISOU 4052 O HOH A 405 2375 3508 3347 -413 -508 -344 O HETATM 4053 O HOH A 406 -10.366 -11.513 1.327 1.00 21.00 O ANISOU 4053 O HOH A 406 1513 3291 3172 -40 2 -392 O HETATM 4054 O HOH A 407 -8.190 -6.193 10.224 1.00 26.33 O ANISOU 4054 O HOH A 407 2443 3915 3644 -1 896 -935 O HETATM 4055 O HOH A 408 -10.985 11.675 -1.804 1.00 27.84 O ANISOU 4055 O HOH A 408 2400 4194 3982 -147 -13 -46 O HETATM 4056 O HOH A 409 -10.832 -7.439 -9.713 1.00 30.18 O ANISOU 4056 O HOH A 409 2763 5222 3482 -116 -634 229 O HETATM 4057 O HOH A 410 4.751 -9.111 -11.431 1.00 32.17 O ANISOU 4057 O HOH A 410 3924 4199 4097 -80 786 168 O HETATM 4058 O HOH A 411 -10.333 -8.355 -2.813 1.00 27.68 O ANISOU 4058 O HOH A 411 2463 4057 3996 750 -366 -271 O HETATM 4059 O HOH A 412 15.802 9.218 2.419 1.00 26.45 O ANISOU 4059 O HOH A 412 1864 3114 5070 -720 -72 132 O HETATM 4060 O HOH A 413 -6.220 2.180 12.156 1.00 31.76 O ANISOU 4060 O HOH A 413 3586 4533 3948 333 870 -80 O HETATM 4061 O HOH A 414 -1.404 1.191 15.176 1.00 32.82 O ANISOU 4061 O HOH A 414 4734 4058 3678 83 344 -575 O HETATM 4062 O HOH A 415 -1.861 15.750 4.098 1.00 27.78 O ANISOU 4062 O HOH A 415 1956 4119 4477 738 -86 14 O HETATM 4063 O HOH A 416 -11.295 -0.710 4.454 1.00 31.62 O ANISOU 4063 O HOH A 416 4707 3685 3619 359 650 -546 O HETATM 4064 O HOH A 417 -7.338 -3.626 11.028 1.00 28.02 O ANISOU 4064 O HOH A 417 3215 3253 4176 -276 -98 -222 O HETATM 4065 O HOH A 418 3.580 3.893 9.322 1.00 26.00 O ANISOU 4065 O HOH A 418 2534 3759 3585 -223 -160 228 O HETATM 4066 O HOH A 419 11.588 5.584 10.158 1.00 35.94 O ANISOU 4066 O HOH A 419 4411 4279 4963 -520 -106 -4 O HETATM 4067 O HOH A 420 14.527 10.601 -5.374 1.00 31.04 O ANISOU 4067 O HOH A 420 2869 4420 4504 -443 753 436 O HETATM 4068 O HOH A 421 -0.402 -7.208 19.677 1.00 33.37 O ANISOU 4068 O HOH A 421 4836 4481 3360 -231 389 646 O HETATM 4069 O HOH A 422 4.774 -7.205 15.269 1.00 31.97 O ANISOU 4069 O HOH A 422 3368 4515 4262 -891 -534 93 O HETATM 4070 O HOH A 423 -11.903 1.757 3.229 1.00 27.80 O ANISOU 4070 O HOH A 423 3350 3564 3647 304 205 -441 O HETATM 4071 O HOH A 424 2.680 -9.241 -8.207 1.00 31.29 O ANISOU 4071 O HOH A 424 3261 4317 4308 120 304 -687 O HETATM 4072 O HOH A 425 8.091 6.736 -8.709 1.00 32.68 O ANISOU 4072 O HOH A 425 4261 5030 3124 -278 400 -172 O HETATM 4073 O HOH A 426 -14.121 2.753 0.551 1.00 32.30 O ANISOU 4073 O HOH A 426 3191 4203 4876 1070 192 -333 O HETATM 4074 O HOH A 427 12.374 7.498 8.350 1.00 30.85 O ANISOU 4074 O HOH A 427 3665 4079 3977 -703 -332 -273 O HETATM 4075 O AHOH A 428 -14.324 -10.069 1.865 0.60 29.40 O ANISOU 4075 O AHOH A 428 2469 4035 4667 23 -19 56 O HETATM 4076 O BHOH A 428 -13.954 -10.458 0.223 0.40 26.71 O ANISOU 4076 O BHOH A 428 2175 3828 4143 -705 -147 -34 O HETATM 4077 O HOH A 429 9.511 -6.838 -7.344 1.00 37.74 O ANISOU 4077 O HOH A 429 3684 5302 5351 71 296 -569 O HETATM 4078 O HOH A 430 2.423 -8.546 18.967 1.00 42.50 O ANISOU 4078 O HOH A 430 6430 5144 4573 213 -275 358 O HETATM 4079 O HOH A 431 4.460 13.728 3.186 1.00 27.11 O ANISOU 4079 O HOH A 431 1817 3464 5016 -283 -34 197 O HETATM 4080 O HOH A 432 14.224 0.342 2.654 1.00 34.97 O ANISOU 4080 O HOH A 432 2657 5025 5604 529 -629 -319 O HETATM 4081 O HOH A 433 -17.192 -2.698 -16.839 1.00 43.31 O ANISOU 4081 O HOH A 433 5135 5923 5398 -138 -173 398 O HETATM 4082 O HOH A 434 9.856 -3.322 -1.173 1.00 38.06 O ANISOU 4082 O HOH A 434 2906 6032 5521 -259 253 -323 O HETATM 4083 O HOH A 435 13.676 1.472 5.469 1.00 35.27 O ANISOU 4083 O HOH A 435 1794 5417 6190 638 -542 -240 O HETATM 4084 O HOH A 436 7.978 -0.731 -7.558 1.00 31.93 O ANISOU 4084 O HOH A 436 3459 4309 4362 -226 106 638 O HETATM 4085 O HOH A 437 7.249 -6.334 2.089 1.00 36.88 O ANISOU 4085 O HOH A 437 2289 5355 6367 232 55 72 O HETATM 4086 O HOH A 438 -12.035 -10.379 -2.406 1.00 27.93 O ANISOU 4086 O HOH A 438 2143 4388 4079 63 -812 -308 O HETATM 4087 O HOH A 439 -12.023 -12.820 5.019 1.00 28.72 O ANISOU 4087 O HOH A 439 2428 3919 4565 -264 825 -415 O HETATM 4088 O HOH A 440 -13.930 4.775 -7.590 1.00 36.01 O ANISOU 4088 O HOH A 440 3142 4852 5688 160 103 -155 O HETATM 4089 O HOH A 441 -8.245 8.113 -3.296 1.00 32.97 O ANISOU 4089 O HOH A 441 4705 3695 4125 -660 -275 -102 O HETATM 4090 O HOH A 442 13.431 1.713 8.234 1.00 44.34 O ANISOU 4090 O HOH A 442 4746 6114 5984 440 288 696 O HETATM 4091 O HOH A 443 15.094 5.312 7.563 1.00 44.14 O ANISOU 4091 O HOH A 443 5167 6217 5384 -58 -374 255 O HETATM 4092 O HOH A 444 1.525 12.518 8.132 1.00 39.91 O ANISOU 4092 O HOH A 444 5818 4351 4995 -15 -233 -746 O HETATM 4093 O HOH A 445 6.401 -10.530 0.523 1.00 34.30 O ANISOU 4093 O HOH A 445 3825 4626 4580 45 -896 -246 O HETATM 4094 O HOH A 446 -9.966 8.383 -16.851 1.00 52.52 O ANISOU 4094 O HOH A 446 6833 6678 6442 -163 144 200 O HETATM 4095 O AHOH A 447 6.473 -7.040 17.654 0.50 45.24 O ANISOU 4095 O AHOH A 447 6044 5614 5532 -6 -63 83 O HETATM 4096 O BHOH A 447 8.116 -7.938 18.724 0.50 42.78 O ANISOU 4096 O BHOH A 447 5406 5591 5255 -81 -179 -32 O HETATM 4097 O HOH A 448 -13.034 -0.739 -3.147 1.00 35.77 O ANISOU 4097 O HOH A 448 2858 5635 5096 -76 -575 -313 O HETATM 4098 O HOH A 449 -2.062 3.467 13.358 1.00 47.24 O ANISOU 4098 O HOH A 449 6525 5614 5807 105 64 -217 O HETATM 4099 O HOH A 450 2.206 -6.420 -13.798 1.00 41.36 O ANISOU 4099 O HOH A 450 5308 5682 4726 157 -415 558 O HETATM 4100 O HOH A 451 -10.875 6.401 3.916 1.00 34.54 O ANISOU 4100 O HOH A 451 2944 4483 5697 386 383 -169 O HETATM 4101 O HOH A 452 -9.292 0.588 6.549 1.00 30.77 O ANISOU 4101 O HOH A 452 1884 5066 4740 -510 64 -5 O HETATM 4102 O HOH A 453 14.650 3.783 -7.411 1.00 57.91 O ANISOU 4102 O HOH A 453 7375 7544 7084 -134 154 15 O HETATM 4103 O HOH A 454 2.636 5.975 10.661 1.00 36.53 O ANISOU 4103 O HOH A 454 5030 4436 4413 -296 -18 -367 O HETATM 4104 O HOH A 455 16.569 3.340 12.579 1.00 48.97 O ANISOU 4104 O HOH A 455 5440 6429 6737 -93 -173 -115 O HETATM 4105 O HOH A 456 -9.850 7.128 -10.821 1.00 43.78 O ANISOU 4105 O HOH A 456 6360 5174 5099 -79 9 -115 O HETATM 4106 O HOH A 457 4.028 11.796 -10.039 1.00 44.55 O ANISOU 4106 O HOH A 457 6019 5835 5072 5 -158 136 O HETATM 4107 O HOH A 458 2.150 -8.426 -11.896 1.00 29.68 O ANISOU 4107 O HOH A 458 2883 5600 2793 -60 -18 -725 O HETATM 4108 O HOH A 459 -15.028 -7.708 1.529 1.00 47.06 O ANISOU 4108 O HOH A 459 5164 6726 5987 -51 -99 -30 O HETATM 4109 O HOH A 460 -14.772 -4.756 1.344 1.00 39.97 O ANISOU 4109 O HOH A 460 3458 5979 5750 -57 -437 -62 O HETATM 4110 O HOH A 461 9.421 11.474 9.502 1.00 41.28 O ANISOU 4110 O HOH A 461 4332 5511 5839 -344 -228 -347 O HETATM 4111 O HOH A 462 15.113 -2.871 3.657 1.00 53.86 O ANISOU 4111 O HOH A 462 6861 6648 6954 -200 -125 135 O HETATM 4112 O HOH A 463 12.682 2.111 -10.012 1.00 48.34 O ANISOU 4112 O HOH A 463 5930 6414 6021 14 230 -127 O HETATM 4113 O HOH A 464 12.238 -8.407 -3.828 1.00 50.26 O ANISOU 4113 O HOH A 464 6157 6562 6375 93 62 50 O HETATM 4114 O HOH A 465 -8.039 0.277 12.889 1.00 51.00 O ANISOU 4114 O HOH A 465 6206 6591 6577 129 229 -158 O HETATM 4115 O HOH A 466 -9.559 -2.362 10.521 1.00 42.61 O ANISOU 4115 O HOH A 466 3729 6076 6383 -317 621 265 O HETATM 4116 O HOH A 467 -0.870 -5.962 22.088 1.00 44.29 O ANISOU 4116 O HOH A 467 5816 5782 5227 -341 -73 -267 O HETATM 4117 O HOH A 468 10.489 -5.220 10.798 1.00 48.73 O ANISOU 4117 O HOH A 468 6051 5842 6620 251 -376 245 O HETATM 4118 O HOH A 469 -1.413 -9.567 19.788 1.00 47.91 O ANISOU 4118 O HOH A 469 6418 6083 5700 -347 -83 -37 O HETATM 4119 O HOH A 470 -0.259 -10.111 -17.894 1.00 48.90 O ANISOU 4119 O HOH A 470 5803 6099 6679 76 -262 34 O HETATM 4120 O HOH A 471 1.807 8.541 9.848 1.00 45.74 O ANISOU 4120 O HOH A 471 6583 6051 4745 24 36 -189 O HETATM 4121 O HOH A 472 -10.253 -10.292 -11.609 1.00 43.41 O ANISOU 4121 O HOH A 472 5356 5333 5804 -176 -537 -75 O HETATM 4122 O HOH A 473 -5.728 -2.398 19.413 1.00 46.22 O ANISOU 4122 O HOH A 473 5702 6055 5802 -103 272 89 O HETATM 4123 O HOH A 474 -7.996 3.088 10.159 1.00 43.11 O ANISOU 4123 O HOH A 474 5548 5102 5729 126 48 9 O HETATM 4124 O HOH A 475 -6.727 8.063 -10.258 1.00 47.05 O ANISOU 4124 O HOH A 475 5698 6231 5947 303 -213 81 O HETATM 4125 O HOH A 476 -13.969 6.370 -0.711 1.00 38.41 O ANISOU 4125 O HOH A 476 3330 5103 6160 1346 59 -61 O HETATM 4126 O HOH A 477 5.802 3.028 21.963 1.00 52.53 O ANISOU 4126 O HOH A 477 6419 6740 6799 38 -151 -8 O HETATM 4127 O HOH A 478 0.928 2.816 15.936 1.00 40.40 O ANISOU 4127 O HOH A 478 5885 4883 4580 -109 -335 -560 O HETATM 4128 O AHOH A 479 -14.215 2.248 2.908 0.50 23.49 O ANISOU 4128 O AHOH A 479 1602 3511 3811 290 878 -256 O HETATM 4129 O BHOH A 479 -13.837 3.955 3.618 0.50 30.05 O ANISOU 4129 O BHOH A 479 2887 4222 4309 40 397 -171 O HETATM 4130 O HOH A 480 -10.940 8.477 -2.699 1.00 27.55 O ANISOU 4130 O HOH A 480 3437 3438 3590 75 -120 -108 O HETATM 4131 O HOH B 403 -9.608 -10.804 -1.059 1.00 19.39 O ANISOU 4131 O HOH B 403 1286 2873 3209 41 -19 -214 O HETATM 4132 O HOH B 404 -4.480 -38.294 -3.579 1.00 22.85 O ANISOU 4132 O HOH B 404 1510 3565 3606 -566 206 33 O HETATM 4133 O HOH B 405 -8.936 -12.423 11.456 1.00 24.92 O ANISOU 4133 O HOH B 405 1888 3882 3697 238 291 17 O HETATM 4134 O HOH B 406 0.566 -32.886 -5.296 1.00 25.52 O ANISOU 4134 O HOH B 406 2763 3532 3399 223 171 -529 O HETATM 4135 O HOH B 407 -8.120 -16.940 -7.641 1.00 25.65 O ANISOU 4135 O HOH B 407 2682 3711 3349 32 -1095 -1197 O HETATM 4136 O HOH B 408 -1.499 -24.285 -12.531 1.00 32.58 O ANISOU 4136 O HOH B 408 4927 3982 3467 75 -33 -749 O HETATM 4137 O HOH B 409 -6.417 -25.300 -9.367 1.00 32.41 O ANISOU 4137 O HOH B 409 3795 4783 3734 -318 -1171 -174 O HETATM 4138 O HOH B 410 4.739 -14.052 14.073 1.00 32.75 O ANISOU 4138 O HOH B 410 3840 4699 3902 -248 -894 359 O HETATM 4139 O HOH B 411 15.700 -32.397 0.156 1.00 26.72 O ANISOU 4139 O HOH B 411 2281 3144 4725 519 41 445 O HETATM 4140 O HOH B 412 -10.165 -14.886 5.516 1.00 27.78 O ANISOU 4140 O HOH B 412 2489 4182 3881 -549 849 -89 O HETATM 4141 O HOH B 413 -11.009 -34.684 4.469 1.00 30.09 O ANISOU 4141 O HOH B 413 2713 4555 4162 -216 374 -66 O HETATM 4142 O HOH B 414 -11.112 -22.437 -1.857 1.00 31.63 O ANISOU 4142 O HOH B 414 4434 3692 3892 -368 -567 -504 O HETATM 4143 O HOH B 415 -1.880 -38.812 -1.518 1.00 29.47 O ANISOU 4143 O HOH B 415 2509 4093 4593 -198 383 -56 O HETATM 4144 O HOH B 416 2.703 -13.825 10.752 1.00 32.39 O ANISOU 4144 O HOH B 416 3173 4843 4288 -651 -164 -641 O HETATM 4145 O HOH B 417 3.599 -27.027 -6.575 1.00 25.41 O ANISOU 4145 O HOH B 417 1899 4002 3752 220 82 261 O HETATM 4146 O HOH B 418 -0.545 -15.894 -17.037 1.00 33.34 O ANISOU 4146 O HOH B 418 5271 4457 2938 104 -189 359 O HETATM 4147 O HOH B 419 4.822 -15.868 -12.559 1.00 33.58 O ANISOU 4147 O HOH B 419 3548 4485 4723 772 401 159 O HETATM 4148 O HOH B 420 -10.810 -15.685 12.356 1.00 32.74 O ANISOU 4148 O HOH B 420 3251 5431 3755 -102 642 356 O HETATM 4149 O HOH B 421 -11.871 -24.902 -0.525 1.00 26.66 O ANISOU 4149 O HOH B 421 2960 3610 3557 -286 -513 -446 O HETATM 4150 O HOH B 422 4.420 -36.834 -0.586 1.00 26.77 O ANISOU 4150 O HOH B 422 1629 3536 5004 47 -191 131 O HETATM 4151 O HOH B 423 7.969 -29.977 11.395 1.00 34.38 O ANISOU 4151 O HOH B 423 4974 4824 3262 60 -473 -80 O HETATM 4152 O HOH B 424 -7.267 -19.532 -8.401 1.00 31.38 O ANISOU 4152 O HOH B 424 4205 3274 4442 380 -409 88 O HETATM 4153 O HOH B 425 2.509 -14.681 -16.363 1.00 46.09 O ANISOU 4153 O HOH B 425 6920 5366 5224 -301 159 278 O HETATM 4154 O HOH B 426 7.401 -16.983 0.479 1.00 34.95 O ANISOU 4154 O HOH B 426 2104 5301 5875 -400 -412 -87 O HETATM 4155 O HOH B 427 9.489 -16.349 10.064 1.00 44.65 O ANISOU 4155 O HOH B 427 4737 6013 6214 -29 -120 -376 O HETATM 4156 O HOH B 428 18.983 -27.367 -1.061 1.00 38.13 O ANISOU 4156 O HOH B 428 3631 4952 5904 -89 -526 258 O HETATM 4157 O HOH B 429 12.268 -30.726 -5.710 1.00 31.41 O ANISOU 4157 O HOH B 429 3931 4121 3881 632 492 -237 O HETATM 4158 O HOH B 430 14.445 -33.749 8.063 1.00 30.47 O ANISOU 4158 O HOH B 430 2545 4531 4499 574 -944 114 O HETATM 4159 O HOH B 431 -12.957 -22.453 5.734 1.00 36.14 O ANISOU 4159 O HOH B 431 2909 5856 4967 -158 628 -392 O HETATM 4160 O AHOH B 432 14.264 -23.479 -0.067 0.60 27.34 O ANISOU 4160 O AHOH B 432 985 4460 4943 -405 765 -391 O HETATM 4161 O BHOH B 432 13.124 -21.740 0.551 0.40 26.53 O ANISOU 4161 O BHOH B 432 2700 3317 4063 -526 233 -143 O HETATM 4162 O HOH B 433 6.391 -12.616 1.999 1.00 33.38 O ANISOU 4162 O HOH B 433 3726 4562 4393 -18 1054 -293 O HETATM 4163 O HOH B 434 -5.424 -20.228 -13.331 1.00 39.71 O ANISOU 4163 O HOH B 434 4945 6093 4049 95 -112 -182 O HETATM 4164 O HOH B 435 -17.289 -20.784 19.288 1.00 43.89 O ANISOU 4164 O HOH B 435 5249 6103 5324 142 -179 322 O HETATM 4165 O HOH B 436 9.417 -34.559 -6.664 1.00 38.12 O ANISOU 4165 O HOH B 436 4517 5099 4866 803 296 -625 O HETATM 4166 O HOH B 437 4.002 -35.058 12.701 1.00 37.70 O ANISOU 4166 O HOH B 437 4737 5583 4003 -267 120 -45 O HETATM 4167 O HOH B 438 9.718 -20.115 4.105 1.00 37.53 O ANISOU 4167 O HOH B 438 3934 5556 4769 382 -187 -284 O HETATM 4168 O HOH B 439 10.418 -22.063 -16.394 1.00 44.59 O ANISOU 4168 O HOH B 439 5385 5607 5949 -148 -6 199 O HETATM 4169 O HOH B 440 11.621 -28.642 -7.525 1.00 39.00 O ANISOU 4169 O HOH B 440 5295 4615 4907 712 391 -27 O HETATM 4170 O HOH B 441 -14.100 -25.902 2.002 1.00 32.50 O ANISOU 4170 O HOH B 441 3570 3796 4980 -676 107 -669 O HETATM 4171 O HOH B 442 10.067 -17.838 -8.520 1.00 45.04 O ANISOU 4171 O HOH B 442 5532 5354 6224 -22 211 57 O HETATM 4172 O HOH B 443 -0.472 -35.872 -5.241 1.00 45.09 O ANISOU 4172 O HOH B 443 5748 5679 5703 123 25 -231 O HETATM 4173 O HOH B 444 -8.213 -31.262 5.974 1.00 32.17 O ANISOU 4173 O HOH B 444 3863 3749 4609 331 340 -289 O HETATM 4174 O HOH B 445 13.616 -24.616 -2.795 1.00 34.07 O ANISOU 4174 O HOH B 445 2371 5130 5444 -451 921 -678 O HETATM 4175 O HOH B 446 12.777 -25.267 12.783 1.00 44.20 O ANISOU 4175 O HOH B 446 5694 5800 5299 61 -344 -191 O HETATM 4176 O HOH B 447 -10.785 -17.066 -7.241 1.00 40.75 O ANISOU 4176 O HOH B 447 4454 5379 5647 -598 -314 -336 O HETATM 4177 O HOH B 448 -5.726 -20.074 -19.981 1.00 41.75 O ANISOU 4177 O HOH B 448 5312 5766 4785 -197 -335 126 O HETATM 4178 O HOH B 449 -14.776 -18.040 1.144 1.00 37.29 O ANISOU 4178 O HOH B 449 2241 5983 5946 168 1407 -215 O HETATM 4179 O HOH B 450 -12.815 -31.782 1.386 1.00 40.84 O ANISOU 4179 O HOH B 450 3587 5650 6277 -51 152 200 O HETATM 4180 O HOH B 451 14.911 -28.487 -5.247 1.00 37.50 O ANISOU 4180 O HOH B 451 2806 6390 5050 284 299 225 O HETATM 4181 O HOH B 452 -9.282 -23.747 -3.877 1.00 31.25 O ANISOU 4181 O HOH B 452 2579 4627 4665 62 -184 -179 O HETATM 4182 O HOH B 453 -2.348 -26.560 -10.680 1.00 42.73 O ANISOU 4182 O HOH B 453 6052 4900 5282 -9 -185 -144 O HETATM 4183 O HOH B 454 4.506 -38.819 1.425 1.00 39.70 O ANISOU 4183 O HOH B 454 3682 5540 5859 29 -213 274 O HETATM 4184 O HOH B 455 -13.763 -12.621 2.658 1.00 37.31 O ANISOU 4184 O HOH B 455 2644 5467 6063 825 259 -26 O HETATM 4185 O HOH B 456 -9.552 -32.689 7.642 1.00 49.86 O ANISOU 4185 O HOH B 456 6553 6000 6389 -11 -145 -148 O HETATM 4186 O HOH B 457 10.762 -28.935 11.867 1.00 45.17 O ANISOU 4186 O HOH B 457 5838 5766 5555 290 -433 -301 O HETATM 4187 O HOH B 458 4.342 -37.997 7.260 1.00 46.65 O ANISOU 4187 O HOH B 458 6378 5223 6122 46 -57 375 O HETATM 4188 O HOH B 459 8.007 -37.742 -5.110 1.00 48.54 O ANISOU 4188 O HOH B 459 6556 5884 6001 -48 7 -303 O HETATM 4189 O HOH B 460 -9.910 -20.930 -7.654 1.00 45.63 O ANISOU 4189 O HOH B 460 5278 5845 6212 172 -406 236 O HETATM 4190 O HOH B 461 6.027 -24.014 -20.045 1.00 63.97 O ANISOU 4190 O HOH B 461 8197 8046 8061 49 54 24 O HETATM 4191 O HOH B 462 -7.852 -23.449 -10.239 1.00 48.85 O ANISOU 4191 O HOH B 462 5966 6227 6365 -72 -116 -49 O HETATM 4192 O HOH B 463 15.470 -24.124 -8.507 1.00 50.28 O ANISOU 4192 O HOH B 463 6419 6710 5974 -31 340 62 O HETATM 4193 O HOH B 464 6.012 -16.666 -15.567 1.00 53.24 O ANISOU 4193 O HOH B 464 6582 6725 6921 61 123 128 O HETATM 4194 O HOH B 465 -1.014 -19.552 -18.571 1.00 57.94 O ANISOU 4194 O HOH B 465 7575 7485 6953 74 103 4 O HETATM 4195 O HOH B 466 -14.058 -27.974 10.270 1.00 37.57 O ANISOU 4195 O HOH B 466 3349 4920 6005 -349 -91 101 O HETATM 4196 O HOH B 467 7.918 -22.344 10.377 1.00 33.66 O ANISOU 4196 O HOH B 467 3852 4575 4360 532 -528 778 O HETATM 4197 O HOH B 468 7.732 -36.318 8.585 1.00 36.13 O ANISOU 4197 O HOH B 468 4500 4538 4687 86 117 66 O HETATM 4198 O HOH B 469 -18.452 -28.281 11.453 1.00 46.03 O ANISOU 4198 O HOH B 469 5159 6212 6117 -186 -235 -39 O HETATM 4199 O HOH B 470 -10.430 -12.740 13.901 1.00 40.53 O ANISOU 4199 O HOH B 470 4491 5671 5237 131 -75 32 O HETATM 4200 O HOH B 471 16.753 -26.303 -10.282 1.00 48.51 O ANISOU 4200 O HOH B 471 5702 6484 6245 156 96 -58 O HETATM 4201 O HOH B 472 -16.196 -19.222 8.485 1.00 44.92 O ANISOU 4201 O HOH B 472 4898 5963 6207 -379 162 -190 O HETATM 4202 O HOH B 473 2.628 -29.077 -7.963 1.00 36.47 O ANISOU 4202 O HOH B 473 5623 3777 4457 453 28 -106 O HETATM 4203 O HOH B 474 0.279 -41.833 7.377 1.00 41.22 O ANISOU 4203 O HOH B 474 4870 5264 5527 -46 -248 276 O HETATM 4204 O HOH B 475 1.883 -36.508 13.550 1.00 53.39 O ANISOU 4204 O HOH B 475 6601 7025 6657 -140 170 -5 O HETATM 4205 O HOH B 476 -1.496 -13.301 -17.032 1.00 49.61 O ANISOU 4205 O HOH B 476 6440 6490 5917 130 -55 -116 O HETATM 4206 O HOH B 477 -0.315 -17.265 -19.399 1.00 53.30 O ANISOU 4206 O HOH B 477 7058 6841 6352 48 -84 -152 O HETATM 4207 O HOH B 478 -14.167 -25.295 -0.199 1.00 28.42 O ANISOU 4207 O HOH B 478 2500 3950 4346 -350 -420 -313 O HETATM 4208 O HOH C 404 -1.781 -10.766 -32.404 1.00 19.44 O ANISOU 4208 O HOH C 404 1443 2674 3267 -38 -78 -37 O HETATM 4209 O HOH C 405 -6.967 -38.251 -29.903 1.00 22.47 O ANISOU 4209 O HOH C 405 1507 3423 3607 309 136 -123 O HETATM 4210 O HOH C 406 -11.962 -32.911 -28.203 1.00 23.63 O ANISOU 4210 O HOH C 406 2214 3455 3309 -413 -126 323 O HETATM 4211 O HOH C 407 -3.283 -16.975 -25.890 1.00 24.99 O ANISOU 4211 O HOH C 407 2584 3545 3365 -82 -860 796 O HETATM 4212 O HOH C 408 -2.563 -12.299 -44.936 1.00 26.26 O ANISOU 4212 O HOH C 408 2570 3718 3689 -327 535 -215 O HETATM 4213 O HOH C 409 -1.189 -14.834 -38.975 1.00 27.85 O ANISOU 4213 O HOH C 409 2492 4115 3975 761 742 -261 O HETATM 4214 O HOH C 410 -16.266 -14.003 -47.446 1.00 30.11 O ANISOU 4214 O HOH C 410 3156 4097 4186 333 -1064 -278 O HETATM 4215 O HOH C 411 -0.504 -15.687 -45.837 1.00 30.55 O ANISOU 4215 O HOH C 411 3065 4883 3659 265 618 -543 O HETATM 4216 O HOH C 412 -27.171 -32.344 -33.673 1.00 24.94 O ANISOU 4216 O HOH C 412 1567 3162 4746 -741 39 -751 O HETATM 4217 O HOH C 413 -10.029 -24.285 -20.967 1.00 32.87 O ANISOU 4217 O HOH C 413 5044 3981 3464 -314 -246 467 O HETATM 4218 O HOH C 414 -5.082 -25.367 -24.088 1.00 30.42 O ANISOU 4218 O HOH C 414 3231 4359 3968 634 -918 -93 O HETATM 4219 O HOH C 415 -15.040 -27.040 -26.841 1.00 24.84 O ANISOU 4219 O HOH C 415 2205 3745 3485 -456 146 -296 O HETATM 4220 O HOH C 416 -9.602 -38.842 -31.983 1.00 29.36 O ANISOU 4220 O HOH C 416 2634 4267 4255 321 64 233 O HETATM 4221 O HOH C 417 -0.100 -22.437 -31.700 1.00 33.61 O ANISOU 4221 O HOH C 417 5351 3717 3700 482 -687 283 O HETATM 4222 O HOH C 418 -19.480 -29.988 -44.845 1.00 35.57 O ANISOU 4222 O HOH C 418 4849 5248 3414 -154 -790 -115 O HETATM 4223 O HOH C 419 -0.451 -34.676 -37.959 1.00 28.50 O ANISOU 4223 O HOH C 419 2279 4714 3835 320 -399 -361 O HETATM 4224 O HOH C 420 -11.004 -15.927 -16.450 1.00 33.44 O ANISOU 4224 O HOH C 420 5344 4196 3166 -328 -152 -799 O HETATM 4225 O HOH C 421 -14.053 -13.864 -44.284 1.00 34.41 O ANISOU 4225 O HOH C 421 3923 4778 4373 316 -140 578 O HETATM 4226 O HOH C 422 -4.175 -19.571 -25.030 1.00 29.27 O ANISOU 4226 O HOH C 422 3683 3270 4166 -102 -579 -58 O HETATM 4227 O HOH C 423 2.695 -25.934 -35.589 1.00 31.59 O ANISOU 4227 O HOH C 423 3142 4085 4776 590 631 276 O HETATM 4228 O HOH C 424 -25.930 -33.663 -41.535 1.00 30.71 O ANISOU 4228 O HOH C 424 2483 4472 4710 -462 -543 -290 O HETATM 4229 O HOH C 425 -23.693 -30.646 -27.808 1.00 32.22 O ANISOU 4229 O HOH C 425 4146 4178 3915 -689 376 133 O HETATM 4230 O HOH C 426 -22.951 -28.720 -26.052 1.00 39.32 O ANISOU 4230 O HOH C 426 4962 4807 5168 -515 310 -122 O HETATM 4231 O HOH C 427 -14.423 -14.759 -17.138 1.00 41.03 O ANISOU 4231 O HOH C 427 5937 4934 4718 380 232 -165 O HETATM 4232 O HOH C 428 -16.296 -15.834 -20.970 1.00 33.02 O ANISOU 4232 O HOH C 428 3056 4817 4673 -936 670 -362 O HETATM 4233 O HOH C 429 -21.244 -19.812 -37.301 1.00 36.64 O ANISOU 4233 O HOH C 429 2788 5866 5264 -391 2 128 O HETATM 4234 O HOH C 430 -21.048 -16.468 -43.675 1.00 45.49 O ANISOU 4234 O HOH C 430 5178 6149 5954 -35 -390 186 O HETATM 4235 O HOH C 431 -18.753 -16.992 -33.687 1.00 36.71 O ANISOU 4235 O HOH C 431 3874 4691 5382 245 -179 -32 O HETATM 4236 O HOH C 432 0.533 -24.913 -32.904 1.00 27.68 O ANISOU 4236 O HOH C 432 2799 3919 3797 619 -386 198 O HETATM 4237 O HOH C 433 -15.872 -36.832 -32.923 1.00 26.72 O ANISOU 4237 O HOH C 433 1637 3653 4862 -310 -228 -492 O HETATM 4238 O HOH C 434 -17.777 -12.534 -35.443 1.00 33.76 O ANISOU 4238 O HOH C 434 3004 4902 4921 168 949 198 O HETATM 4239 O HOH C 435 -25.654 -23.651 -33.664 1.00 34.40 O ANISOU 4239 O HOH C 435 3039 4669 5360 314 186 213 O HETATM 4240 O HOH C 436 5.839 -20.768 -52.718 1.00 42.35 O ANISOU 4240 O HOH C 436 4382 6286 5421 -330 96 -243 O HETATM 4241 O HOH C 437 -25.038 -24.525 -30.777 1.00 32.42 O ANISOU 4241 O HOH C 437 1749 5195 5373 302 1442 367 O HETATM 4242 O HOH C 438 -30.383 -27.486 -32.307 1.00 39.56 O ANISOU 4242 O HOH C 438 4227 4757 6046 565 -51 -270 O HETATM 4243 O HOH C 439 -16.757 -36.999 -43.036 1.00 40.62 O ANISOU 4243 O HOH C 439 4812 4888 5732 80 -419 -367 O HETATM 4244 O HOH C 440 -0.725 -17.332 -26.319 1.00 40.56 O ANISOU 4244 O HOH C 440 4400 5812 5198 475 -592 182 O HETATM 4245 O HOH C 441 -3.190 -31.203 -39.426 1.00 30.58 O ANISOU 4245 O HOH C 441 3473 4124 4020 -800 200 -92 O HETATM 4246 O HOH C 442 0.550 -12.789 -38.600 1.00 27.64 O ANISOU 4246 O HOH C 442 2387 4215 3897 76 490 209 O HETATM 4247 O HOH C 443 1.617 -22.379 -39.204 1.00 35.49 O ANISOU 4247 O HOH C 443 3489 5512 4482 -93 498 343 O HETATM 4248 O HOH C 444 -20.831 -34.108 -26.046 1.00 48.19 O ANISOU 4248 O HOH C 444 5466 6079 6765 -428 -98 340 O HETATM 4249 O HOH C 445 -16.049 -38.954 -34.829 1.00 41.45 O ANISOU 4249 O HOH C 445 4088 5625 6034 163 37 -206 O HETATM 4250 O HOH C 446 -19.168 -36.270 -42.163 1.00 36.68 O ANISOU 4250 O HOH C 446 4339 4908 4689 -211 406 -510 O HETATM 4251 O HOH C 447 2.819 -25.285 -33.267 1.00 30.16 O ANISOU 4251 O HOH C 447 3029 4139 4289 43 -485 188 O HETATM 4252 O HOH C 448 -0.500 -31.538 -38.959 1.00 32.97 O ANISOU 4252 O HOH C 448 3086 3825 5613 775 91 -201 O HETATM 4253 O HOH C 449 -14.098 -29.105 -25.454 1.00 33.30 O ANISOU 4253 O HOH C 449 4455 4066 4131 -244 -599 345 O HETATM 4254 O HOH C 450 -10.529 -12.354 -53.488 1.00 46.95 O ANISOU 4254 O HOH C 450 5898 5941 5998 434 533 16 O HETATM 4255 O HOH C 451 -1.064 -31.615 -53.328 1.00 51.98 O ANISOU 4255 O HOH C 451 6869 6643 6236 56 27 -250 O HETATM 4256 O HOH C 452 -19.301 -22.380 -43.824 1.00 33.43 O ANISOU 4256 O HOH C 452 3870 4464 4364 -290 -187 -672 O HETATM 4257 O HOH C 453 2.433 -12.648 -36.090 1.00 36.83 O ANISOU 4257 O HOH C 453 3001 5122 5871 -965 57 -100 O HETATM 4258 O HOH C 454 -12.871 -35.685 -27.883 1.00 39.93 O ANISOU 4258 O HOH C 454 5397 4443 5331 446 138 553 O HETATM 4259 O HOH C 455 -24.990 -19.898 -37.762 1.00 41.42 O ANISOU 4259 O HOH C 455 4199 5586 5951 -88 88 -44 O HETATM 4260 O HOH C 456 -10.478 -19.526 -14.918 1.00 46.78 O ANISOU 4260 O HOH C 456 6591 6223 4961 -42 5 64 O HETATM 4261 O HOH C 457 -15.378 -34.968 -46.133 1.00 40.26 O ANISOU 4261 O HOH C 457 5283 5293 4718 44 -93 -309 O HETATM 4262 O HOH C 458 -9.394 -11.274 -51.164 1.00 44.89 O ANISOU 4262 O HOH C 458 6083 5451 5521 292 -1 159 O HETATM 4263 O HOH C 459 4.622 -20.477 -45.583 1.00 54.24 O ANISOU 4263 O HOH C 459 6242 6989 7375 -62 -155 -119 O HETATM 4264 O HOH C 460 -2.501 -29.687 -47.128 1.00 47.01 O ANISOU 4264 O HOH C 460 6123 6114 5624 -395 296 -88 O HETATM 4265 O HOH C 461 -13.431 -31.631 -26.262 1.00 43.18 O ANISOU 4265 O HOH C 461 6140 5338 4928 82 -64 113 O HETATM 4266 O HOH C 462 -22.818 -32.787 -27.105 1.00 48.47 O ANISOU 4266 O HOH C 462 5933 6403 6080 170 61 -105 O HETATM 4267 O HOH C 463 1.687 -32.569 -39.943 1.00 56.07 O ANISOU 4267 O HOH C 463 6755 7264 7285 -183 -73 27 O HETATM 4268 O HOH C 464 -0.996 -12.933 -47.484 1.00 41.89 O ANISOU 4268 O HOH C 464 5011 5662 5244 -322 585 99 O HETATM 4269 O HOH C 465 -3.131 -23.355 -23.342 1.00 49.94 O ANISOU 4269 O HOH C 465 6515 6173 6284 -14 -243 -13 O HETATM 4270 O HOH C 466 -8.786 -26.633 -22.882 1.00 43.35 O ANISOU 4270 O HOH C 466 5970 5270 5231 -101 -82 138 O HETATM 4271 O HOH C 467 -3.160 -26.261 -25.815 1.00 52.75 O ANISOU 4271 O HOH C 467 6360 6599 7082 190 -3 121 O HETATM 4272 O HOH C 468 -2.078 -23.721 -29.740 1.00 33.45 O ANISOU 4272 O HOH C 468 2561 4923 5224 -761 -982 -63 O HETATM 4273 O HOH C 469 -20.707 -37.587 -39.971 1.00 46.19 O ANISOU 4273 O HOH C 469 5923 5557 6069 -159 375 -324 O HETATM 4274 O HOH C 470 -6.069 -29.471 -58.693 1.00 51.90 O ANISOU 4274 O HOH C 470 6535 6678 6505 72 0 -123 O HETATM 4275 O HOH C 471 -9.866 -9.845 -53.244 1.00 52.67 O ANISOU 4275 O HOH C 471 6561 6908 6543 71 -155 72 O HETATM 4276 O HOH C 472 3.996 -14.964 -36.932 1.00 42.43 O ANISOU 4276 O HOH C 472 4242 6467 5411 -351 0 221 O HETATM 4277 O HOH C 473 1.274 -30.951 -37.766 1.00 38.73 O ANISOU 4277 O HOH C 473 3885 5325 5502 -66 279 413 O HETATM 4278 O HOH C 474 -13.519 -14.900 -48.140 1.00 30.08 O ANISOU 4278 O HOH C 474 3422 5237 2768 39 -173 455 O HETATM 4279 O HOH C 475 -24.084 -25.230 -46.179 1.00 48.75 O ANISOU 4279 O HOH C 475 6354 6349 5816 -119 -94 48 O HETATM 4280 O HOH C 476 2.495 -28.002 -43.554 1.00 45.43 O ANISOU 4280 O HOH C 476 5374 5750 6136 -55 -47 156 O HETATM 4281 O HOH C 477 0.784 -15.552 -27.221 1.00 44.33 O ANISOU 4281 O HOH C 477 5127 5321 6393 460 -15 215 O HETATM 4282 O HOH C 478 -12.368 -25.825 -20.115 1.00 45.28 O ANISOU 4282 O HOH C 478 6140 5531 5531 83 145 488 O HETATM 4283 O HOH D 405 -1.819 -12.375 -37.212 1.00 19.15 O ANISOU 4283 O HOH D 405 1330 2663 3281 -125 43 22 O HETATM 4284 O HOH D 406 -1.057 -11.556 -34.828 1.00 22.74 O ANISOU 4284 O HOH D 406 1799 3415 3424 -330 -123 207 O HETATM 4285 O HOH D 407 -6.991 15.160 -39.710 1.00 21.90 O ANISOU 4285 O HOH D 407 1317 3286 3718 -483 -363 -276 O HETATM 4286 O HOH D 408 -11.930 9.748 -41.443 1.00 24.22 O ANISOU 4286 O HOH D 408 2685 3519 2996 -9 -243 289 O HETATM 4287 O HOH D 409 -2.466 -10.761 -24.673 1.00 24.98 O ANISOU 4287 O HOH D 409 2381 3566 3544 203 -470 -322 O HETATM 4288 O HOH D 410 -3.306 -6.193 -43.741 1.00 25.00 O ANISOU 4288 O HOH D 410 2231 3631 3636 141 891 714 O HETATM 4289 O HOH D 411 -16.193 -9.081 -22.140 1.00 32.16 O ANISOU 4289 O HOH D 411 3391 4577 4250 67 818 -489 O HETATM 4290 O HOH D 412 -9.580 15.696 -37.617 1.00 28.65 O ANISOU 4290 O HOH D 412 2499 3963 4421 -459 30 -50 O HETATM 4291 O HOH D 413 -9.993 1.196 -48.656 1.00 31.43 O ANISOU 4291 O HOH D 413 4838 3674 3430 248 243 482 O HETATM 4292 O HOH D 414 -0.074 -0.683 -37.944 1.00 30.51 O ANISOU 4292 O HOH D 414 4461 3705 3425 -803 625 225 O HETATM 4293 O HOH D 415 -1.188 -8.270 -30.652 1.00 25.86 O ANISOU 4293 O HOH D 415 1648 4333 3844 -232 -315 -275 O HETATM 4294 O HOH D 416 -5.019 2.176 -45.513 1.00 30.55 O ANISOU 4294 O HOH D 416 3466 4277 3863 -389 1160 -5 O HETATM 4295 O HOH D 417 -27.208 9.221 -35.883 1.00 27.91 O ANISOU 4295 O HOH D 417 2491 3222 4888 805 -302 -722 O HETATM 4296 O HOH D 418 -15.064 3.825 -42.792 1.00 27.08 O ANISOU 4296 O HOH D 418 2166 4084 4040 330 78 -356 O HETATM 4297 O HOH D 419 -0.452 11.646 -31.632 1.00 28.93 O ANISOU 4297 O HOH D 419 2337 4054 4599 50 -167 -288 O HETATM 4298 O HOH D 420 -10.942 -7.289 -53.215 1.00 31.31 O ANISOU 4298 O HOH D 420 4354 4453 3089 303 180 -845 O HETATM 4299 O HOH D 421 -0.610 -7.366 -23.760 1.00 33.43 O ANISOU 4299 O HOH D 421 4019 4862 3818 -144 -827 -394 O HETATM 4300 O HOH D 422 -13.970 -9.261 -25.313 1.00 33.97 O ANISOU 4300 O HOH D 422 3780 4741 4385 -432 16 609 O HETATM 4301 O HOH D 423 0.483 1.759 -36.755 1.00 26.27 O ANISOU 4301 O HOH D 423 2685 3452 3845 -481 229 39 O HETATM 4302 O HOH D 424 -25.920 10.675 -28.123 1.00 31.26 O ANISOU 4302 O HOH D 424 3013 4532 4333 662 417 -253 O HETATM 4303 O HOH D 425 -16.252 -7.233 -48.778 1.00 33.44 O ANISOU 4303 O HOH D 425 3634 4570 4501 1007 -153 -364 O HETATM 4304 O HOH D 426 -23.785 7.568 -41.839 1.00 31.73 O ANISOU 4304 O HOH D 426 3832 4192 4030 918 -425 146 O HETATM 4305 O HOH D 427 -23.003 5.593 -43.586 1.00 34.74 O ANISOU 4305 O HOH D 427 4176 4384 4638 626 -342 -119 O HETATM 4306 O HOH D 428 -4.076 -3.577 -44.531 1.00 28.95 O ANISOU 4306 O HOH D 428 3316 3660 4024 149 716 -104 O HETATM 4307 O HOH D 429 -19.428 6.779 -24.769 1.00 32.91 O ANISOU 4307 O HOH D 429 3939 5126 3437 -35 662 83 O HETATM 4308 O HOH D 430 -25.617 0.376 -36.049 1.00 32.20 O ANISOU 4308 O HOH D 430 1851 4699 5684 -749 -885 51 O HETATM 4309 O HOH D 431 -25.140 1.416 -38.805 1.00 32.24 O ANISOU 4309 O HOH D 431 1526 4958 5762 -484 -702 250 O HETATM 4310 O HOH D 432 2.790 2.758 -34.028 1.00 31.00 O ANISOU 4310 O HOH D 432 3200 4105 4473 -404 54 63 O HETATM 4311 O HOH D 433 1.590 -0.543 -30.391 1.00 33.26 O ANISOU 4311 O HOH D 433 2595 5310 4730 -59 -964 268 O HETATM 4312 O HOH D 434 -20.876 -6.567 -26.028 1.00 38.13 O ANISOU 4312 O HOH D 434 3999 5239 5247 17 521 -112 O HETATM 4313 O HOH D 435 -18.819 -6.152 -35.916 1.00 32.15 O ANISOU 4313 O HOH D 435 1685 4961 5568 -184 552 -110 O HETATM 4314 O HOH D 436 -15.879 13.627 -36.735 1.00 28.05 O ANISOU 4314 O HOH D 436 1985 3606 5065 137 540 -296 O HETATM 4315 O HOH D 437 -14.171 -8.407 -52.423 1.00 45.15 O ANISOU 4315 O HOH D 437 6419 5411 5323 -213 -18 -134 O HETATM 4316 O HOH D 438 5.804 -2.358 -17.168 1.00 50.37 O ANISOU 4316 O HOH D 438 5739 6911 6488 72 -16 -284 O HETATM 4317 O HOH D 439 2.811 -10.102 -35.530 1.00 32.61 O ANISOU 4317 O HOH D 439 1308 4497 6585 268 -540 27 O HETATM 4318 O HOH D 440 -21.132 -3.107 -32.263 1.00 37.13 O ANISOU 4318 O HOH D 440 3022 5622 5463 521 302 43 O HETATM 4319 O HOH D 441 -5.732 -3.049 -56.233 1.00 46.20 O ANISOU 4319 O HOH D 441 6071 6509 4971 36 -145 -78 O HETATM 4320 O HOH D 442 -26.492 5.443 -41.162 1.00 38.42 O ANISOU 4320 O HOH D 442 3899 5981 4716 330 -371 -502 O HETATM 4321 O HOH D 443 -10.939 -3.523 -54.693 1.00 51.33 O ANISOU 4321 O HOH D 443 6910 6854 5737 -131 -107 -41 O HETATM 4322 O HOH D 444 -14.092 5.983 -44.127 1.00 33.11 O ANISOU 4322 O HOH D 444 4358 3815 4403 197 282 293 O HETATM 4323 O HOH D 445 -0.634 -6.139 -43.237 1.00 41.49 O ANISOU 4323 O HOH D 445 4402 5996 5366 -150 329 92 O HETATM 4324 O HOH D 446 -0.619 6.470 -37.421 1.00 34.97 O ANISOU 4324 O HOH D 446 3192 4904 5189 -593 238 -22 O HETATM 4325 O HOH D 447 -1.844 6.893 -22.715 1.00 46.46 O ANISOU 4325 O HOH D 447 6339 5781 5532 258 181 -182 O HETATM 4326 O HOH D 448 -3.252 8.103 -30.192 1.00 32.03 O ANISOU 4326 O HOH D 448 3202 3795 5170 420 -9 382 O HETATM 4327 O HOH D 449 -24.428 -3.094 -47.989 1.00 44.26 O ANISOU 4327 O HOH D 449 4312 6278 6225 34 206 26 O HETATM 4328 O HOH D 450 0.623 -10.308 -31.073 1.00 27.50 O ANISOU 4328 O HOH D 450 2008 4040 4399 62 -216 147 O HETATM 4329 O HOH D 451 -5.929 -2.780 -49.399 1.00 39.23 O ANISOU 4329 O HOH D 451 4547 6223 4133 2 -256 143 O HETATM 4330 O HOH D 452 -25.075 2.457 -42.297 1.00 36.53 O ANISOU 4330 O HOH D 452 3667 5327 4886 112 -425 -706 O HETATM 4331 O HOH D 453 3.408 -4.895 -34.828 1.00 37.64 O ANISOU 4331 O HOH D 453 2406 5767 6128 -224 -784 17 O HETATM 4332 O HOH D 454 -19.263 -0.724 -25.832 1.00 33.50 O ANISOU 4332 O HOH D 454 4009 4423 4296 447 284 -986 O HETATM 4333 O HOH D 455 -9.096 -11.865 -18.513 1.00 39.76 O ANISOU 4333 O HOH D 455 5492 4909 4704 -706 -230 -159 O HETATM 4334 O HOH D 456 -21.122 13.444 -25.257 1.00 40.09 O ANISOU 4334 O HOH D 456 4605 5744 4884 214 -426 -314 O HETATM 4335 O HOH D 457 -16.034 15.551 -34.612 1.00 40.86 O ANISOU 4335 O HOH D 457 4059 5548 5915 -110 299 142 O HETATM 4336 O HOH D 458 -11.205 12.822 -41.237 1.00 43.51 O ANISOU 4336 O HOH D 458 5573 5597 5359 60 42 358 O HETATM 4337 O HOH D 459 -12.494 20.341 -35.356 1.00 39.09 O ANISOU 4337 O HOH D 459 2870 5500 6480 -285 -406 -49 O HETATM 4338 O HOH D 460 -2.135 0.619 -39.975 1.00 32.32 O ANISOU 4338 O HOH D 460 3563 4664 4052 415 372 29 O HETATM 4339 O HOH D 461 -15.722 14.455 -28.355 1.00 39.73 O ANISOU 4339 O HOH D 461 5227 4034 5833 -267 97 -425 O HETATM 4340 O HOH D 462 -17.944 -10.578 -34.044 1.00 34.39 O ANISOU 4340 O HOH D 462 3683 4374 5009 111 -1151 22 O HETATM 4341 O HOH D 463 -15.306 11.832 -23.360 1.00 38.16 O ANISOU 4341 O HOH D 463 5090 5514 3895 242 -246 -85 O HETATM 4342 O HOH D 464 -19.031 13.109 -27.405 1.00 38.09 O ANISOU 4342 O HOH D 464 4424 4727 5319 314 -354 -298 O HETATM 4343 O HOH D 465 6.720 -1.415 -27.009 1.00 45.27 O ANISOU 4343 O HOH D 465 5023 6023 6151 53 -262 212 O HETATM 4344 O HOH D 466 -20.981 10.743 -43.996 1.00 51.97 O ANISOU 4344 O HOH D 466 6312 6483 6951 42 -138 -107 O HETATM 4345 O HOH D 467 6.850 -4.152 -26.882 1.00 45.32 O ANISOU 4345 O HOH D 467 4823 6408 5988 46 51 -235 O HETATM 4346 O HOH D 468 0.817 -7.322 -41.440 1.00 42.19 O ANISOU 4346 O HOH D 468 3793 5444 6791 -850 751 277 O HETATM 4347 O AHOH D 469 -0.440 8.404 -30.809 0.60 29.46 O ANISOU 4347 O AHOH D 469 3800 2884 4510 -504 -309 -285 O HETATM 4348 O BHOH D 469 1.357 8.181 -31.242 0.40 33.10 O ANISOU 4348 O BHOH D 469 4187 4186 4204 75 96 241 O HETATM 4349 O HOH D 470 -9.998 -12.974 -16.528 1.00 53.41 O ANISOU 4349 O HOH D 470 6532 7258 6501 -76 50 -111 O HETATM 4350 O HOH D 471 -1.808 9.605 -28.814 1.00 47.59 O ANISOU 4350 O HOH D 471 6324 5637 6120 59 188 -248 O HETATM 4351 O HOH D 472 -21.331 13.973 -41.147 1.00 38.36 O ANISOU 4351 O HOH D 472 4110 5410 5054 52 -26 -329 O HETATM 4352 O HOH D 473 -22.770 9.678 -42.690 1.00 37.67 O ANISOU 4352 O HOH D 473 4433 4511 5368 285 35 -79 O HETATM 4353 O HOH D 474 -22.036 7.497 -45.558 1.00 48.06 O ANISOU 4353 O HOH D 474 6679 5540 6039 255 -57 -67 O HETATM 4354 O HOH D 475 7.243 -2.044 -29.978 1.00 55.57 O ANISOU 4354 O HOH D 475 6676 7155 7282 -250 -139 145 O HETATM 4355 O HOH D 476 -2.977 0.358 -46.077 1.00 47.26 O ANISOU 4355 O HOH D 476 5673 6442 5840 -280 354 161 O HETATM 4356 O HOH D 477 -11.665 18.720 -28.738 1.00 37.63 O ANISOU 4356 O HOH D 477 2863 5639 5793 -46 215 -161 O HETATM 4357 O HOH D 478 -3.393 3.264 -43.680 1.00 44.18 O ANISOU 4357 O HOH D 478 5243 5521 6019 5 73 -173 O HETATM 4358 O HOH D 479 -29.515 5.356 -39.948 1.00 44.78 O ANISOU 4358 O HOH D 479 5832 4964 6216 186 -392 -543 O HETATM 4359 O HOH D 480 -12.226 2.757 -49.494 1.00 40.58 O ANISOU 4359 O HOH D 480 5437 5150 4829 -67 8 436 O HETATM 4360 O HOH D 481 -24.019 2.256 -23.527 1.00 42.08 O ANISOU 4360 O HOH D 481 4698 5989 5301 62 218 26 O HETATM 4361 O HOH D 482 5.439 -7.471 -28.668 1.00 51.30 O ANISOU 4361 O HOH D 482 6726 6507 6257 -70 -111 -119 O HETATM 4362 O HOH D 483 -8.719 -8.145 -56.759 1.00 63.02 O ANISOU 4362 O HOH D 483 8177 8103 7665 -30 -4 -32 O HETATM 4363 O HOH D 484 -28.197 2.831 -46.459 1.00 51.85 O ANISOU 4363 O HOH D 484 6309 7071 6319 52 -34 93 O HETATM 4364 O HOH D 485 -20.516 14.528 -29.934 1.00 39.92 O ANISOU 4364 O HOH D 485 5240 5037 4888 401 -11 -247 O HETATM 4365 O HOH D 486 -2.061 -2.101 -44.573 1.00 42.01 O ANISOU 4365 O HOH D 486 4989 5441 5531 219 838 -487 O HETATM 4366 O HOH D 487 -22.894 -6.614 -20.450 1.00 49.12 O ANISOU 4366 O HOH D 487 5817 6170 6674 341 -5 -55 O HETATM 4367 O HOH D 488 -27.990 6.662 -33.376 1.00 40.88 O ANISOU 4367 O HOH D 488 5248 4664 5619 -78 -89 -487 O HETATM 4368 O HOH D 489 -6.076 11.825 -28.664 1.00 39.96 O ANISOU 4368 O HOH D 489 5151 4459 5571 -156 100 -665 O HETATM 4369 O HOH D 490 -1.111 -10.197 -20.084 1.00 45.93 O ANISOU 4369 O HOH D 490 5911 5373 6164 301 373 94 O HETATM 4370 O HOH D 491 -20.232 12.162 -42.345 1.00 52.68 O ANISOU 4370 O HOH D 491 6992 6296 6725 187 147 321 O CONECT 4021 4022 4026 4027 CONECT 4022 4021 4023 CONECT 4023 4022 4024 CONECT 4024 4023 4025 CONECT 4025 4024 4026 CONECT 4026 4021 4025 CONECT 4027 4021 CONECT 4028 4029 4033 4034 CONECT 4029 4028 4030 CONECT 4030 4029 4031 CONECT 4031 4030 4032 CONECT 4032 4031 4033 CONECT 4033 4028 4032 CONECT 4034 4028 CONECT 4035 4036 4040 4041 CONECT 4036 4035 4037 CONECT 4037 4036 4038 CONECT 4038 4037 4039 CONECT 4039 4038 4040 CONECT 4040 4035 4039 CONECT 4041 4035 CONECT 4042 4043 4047 4048 CONECT 4043 4042 4044 CONECT 4044 4043 4045 CONECT 4045 4044 4046 CONECT 4046 4045 4047 CONECT 4047 4042 4046 CONECT 4048 4042 END