USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER PROTEIN BINDING 31-JUL-11 3T7Z TITLE STRUCTURE OF METHANOCALDOCOCCUS JANNASCHII NOP N-TERMINAL DOMAIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: NUCLEOLAR PROTEIN NOP 56/58; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: N-TERMINAL DOMAIN (UNP RESIDUES 1-119); COMPND 5 SYNONYM: UNCHARACTERIZED NOP5 FAMILY PROTEIN MJ0694; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; SOURCE 3 ORGANISM_TAXID: 2190; SOURCE 4 GENE: MJ0694; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS ALPHA BETA FOLD, RNP ASSEMBLY AND METHYLATION, L7AE, BOX C/D RNA, KEYWDS 2 PROTEIN BINDING EXPDTA X-RAY DIFFRACTION AUTHOR S.BISWAS,S.MAXWELL REVDAT 3 25-JUL-12 3T7Z 1 JRNL REVDAT 2 13-JUN-12 3T7Z 1 JRNL REVDAT 1 11-APR-12 3T7Z 0 JRNL AUTH K.T.GAGNON,S.BISWAS,X.ZHANG,B.A.BROWN,P.WOLLENZIEN,C.MATTOS, JRNL AUTH 2 E.S.MAXWELL JRNL TITL STRUCTURALLY CONSERVED NOP56/58 N-TERMINAL DOMAIN JRNL TITL 2 FACILITATES ARCHAEAL BOX C/D RIBONUCLEOPROTEIN-GUIDED JRNL TITL 3 METHYLTRANSFERASE ACTIVITY. JRNL REF J.BIOL.CHEM. V. 287 19418 2012 JRNL REFN ISSN 0021-9258 JRNL PMID 22496443 JRNL DOI 10.1074/JBC.M111.323253 REMARK 2 REMARK 2 RESOLUTION. 1.70 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: 1.6.2_432) REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE- REMARK 3 : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO, REMARK 3 : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL REMARK 3 : MORIARTY,REETAL PAI,RANDY READ,JANE REMARK 3 : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM REMARK 3 : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH, REMARK 3 : LAURENT STORONI,TOM TERWILLIGER,PETER REMARK 3 : ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 35.96 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 85.0 REMARK 3 NUMBER OF REFLECTIONS : 12202 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.203 REMARK 3 R VALUE (WORKING SET) : 0.202 REMARK 3 FREE R VALUE : 0.231 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.040 REMARK 3 FREE R VALUE TEST SET COUNT : 615 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 35.9663 - 2.6983 0.99 3475 174 0.1982 0.2167 REMARK 3 2 2.6983 - 2.1418 0.98 3334 186 0.1974 0.2471 REMARK 3 3 2.1418 - 1.8711 0.91 3073 169 0.2097 0.2441 REMARK 3 4 1.8711 - 1.7000 0.51 1705 86 0.2440 0.2850 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.00 REMARK 3 SHRINKAGE RADIUS : 0.72 REMARK 3 K_SOL : 0.42 REMARK 3 B_SOL : 56.79 REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.210 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 25.130 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -9.21640 REMARK 3 B22 (A**2) : 3.92930 REMARK 3 B33 (A**2) : 5.28710 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.028 1009 REMARK 3 ANGLE : 2.193 1363 REMARK 3 CHIRALITY : 0.169 146 REMARK 3 PLANARITY : 0.013 172 REMARK 3 DIHEDRAL : 14.532 368 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 1 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: chain A REMARK 3 ORIGIN FOR THE GROUP (A): -15.9052 8.9238 -17.5078 REMARK 3 T TENSOR REMARK 3 T11: 0.1497 T22: 0.1322 REMARK 3 T33: 0.1264 T12: -0.0005 REMARK 3 T13: 0.0398 T23: 0.0167 REMARK 3 L TENSOR REMARK 3 L11: 1.0212 L22: 1.3981 REMARK 3 L33: 0.8377 L12: 0.4403 REMARK 3 L13: 0.3064 L23: 0.3057 REMARK 3 S TENSOR REMARK 3 S11: 0.0296 S12: 0.0972 S13: 0.1396 REMARK 3 S21: 0.0790 S22: -0.0004 S23: 0.1831 REMARK 3 S31: -0.0916 S32: 0.1542 S33: -0.0186 REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 3T7Z COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-AUG-11. REMARK 100 THE RCSB ID CODE IS RCSB067151. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 20-JUN-10 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.5 REMARK 200 NUMBER OF CRYSTALS USED : 2 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 22-ID REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.0, 0.97924 REMARK 200 MONOCHROMATOR : SI 111 CHANNEL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MAR SCANNER 300 MM PLATE REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 12790 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.700 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 89.0 REMARK 200 DATA REDUNDANCY : 5.800 REMARK 200 R MERGE (I) : 0.07300 REMARK 200 R SYM (I) : 0.07300 REMARK 200 FOR THE DATA SET : 38.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.70 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.73 REMARK 200 COMPLETENESS FOR SHELL (%) : 38.3 REMARK 200 DATA REDUNDANCY IN SHELL : 3.40 REMARK 200 R MERGE FOR SHELL (I) : 0.37600 REMARK 200 R SYM FOR SHELL (I) : 0.37600 REMARK 200 FOR SHELL : 2.950 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD REMARK 200 SOFTWARE USED: SOLVE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 45.53 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.26 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 18% PEG 8000, 0.1M SODIUM CACODYLATE, REMARK 280 0.2M ZINC ACETATE, PH 6.5, VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 295K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: F 2 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -X,Y,-Z REMARK 290 4555 X,-Y,-Z REMARK 290 5555 X,Y+1/2,Z+1/2 REMARK 290 6555 -X,-Y+1/2,Z+1/2 REMARK 290 7555 -X,Y+1/2,-Z+1/2 REMARK 290 8555 X,-Y+1/2,-Z+1/2 REMARK 290 9555 X+1/2,Y,Z+1/2 REMARK 290 10555 -X+1/2,-Y,Z+1/2 REMARK 290 11555 -X+1/2,Y,-Z+1/2 REMARK 290 12555 X+1/2,-Y,-Z+1/2 REMARK 290 13555 X+1/2,Y+1/2,Z REMARK 290 14555 -X+1/2,-Y+1/2,Z REMARK 290 15555 -X+1/2,Y+1/2,-Z REMARK 290 16555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 43.25550 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 64.69350 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 43.25550 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 64.69350 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 43.25550 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 64.69350 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 43.25550 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 64.69350 REMARK 290 SMTRY1 9 1.000000 0.000000 0.000000 22.84750 REMARK 290 SMTRY2 9 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 9 0.000000 0.000000 1.000000 64.69350 REMARK 290 SMTRY1 10 -1.000000 0.000000 0.000000 22.84750 REMARK 290 SMTRY2 10 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 10 0.000000 0.000000 1.000000 64.69350 REMARK 290 SMTRY1 11 -1.000000 0.000000 0.000000 22.84750 REMARK 290 SMTRY2 11 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 64.69350 REMARK 290 SMTRY1 12 1.000000 0.000000 0.000000 22.84750 REMARK 290 SMTRY2 12 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 64.69350 REMARK 290 SMTRY1 13 1.000000 0.000000 0.000000 22.84750 REMARK 290 SMTRY2 13 0.000000 1.000000 0.000000 43.25550 REMARK 290 SMTRY3 13 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 14 -1.000000 0.000000 0.000000 22.84750 REMARK 290 SMTRY2 14 0.000000 -1.000000 0.000000 43.25550 REMARK 290 SMTRY3 14 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 15 -1.000000 0.000000 0.000000 22.84750 REMARK 290 SMTRY2 15 0.000000 1.000000 0.000000 43.25550 REMARK 290 SMTRY3 15 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 16 1.000000 0.000000 0.000000 22.84750 REMARK 290 SMTRY2 16 0.000000 -1.000000 0.000000 43.25550 REMARK 290 SMTRY3 16 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 124 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 173 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 181 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 191 LIES ON A SPECIAL POSITION. REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 GLU A 35 CG CD OE1 OE2 REMARK 470 GLU A 36 CG CD OE1 OE2 REMARK 470 GLU A 54 CG CD OE1 OE2 REMARK 470 GLU A 57 CG CD OE1 OE2 REMARK 470 GLU A 71 CG CD OE1 OE2 REMARK 470 GLU A 77 CG CD OE1 OE2 REMARK 470 ARG A 100 CG CD NE CZ NH1 NH2 REMARK 470 LYS A 101 CG CD CE NZ REMARK 470 LYS A 116 CG CD CE NZ 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 HOH A 176 O HOH A 178 1.82 REMARK 500 NZ LYS A 85 O HOH A 166 1.84 REMARK 500 O HOH A 160 O HOH A 162 1.84 REMARK 500 OE2 GLU A 109 O HOH A 192 1.96 REMARK 500 ND2 ASN A 81 O HOH A 171 2.01 REMARK 500 CG GLU A 19 O1 GOL A 1816 2.08 REMARK 500 NE2 HIS A 104 OXT ACT A 120 2.18 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 138 O HOH A 138 11454 1.87 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 TYR A 3 CD1 TYR A 3 CE1 0.108 REMARK 500 SER A 21 CB SER A 21 OG 0.127 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 LEU A 65 CB - CG - CD1 ANGL. DEV. = -11.9 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 TYR A 118 40.69 -85.35 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 180 DISTANCE = 7.15 ANGSTROMS REMARK 525 HOH A 181 DISTANCE = 6.85 ANGSTROMS REMARK 525 HOH A 190 DISTANCE = 6.29 ANGSTROMS REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 NA A 121 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 SER A 21 OG REMARK 620 2 ASP A 25 OD2 60.3 REMARK 620 3 ASP A 25 OD1 99.6 46.5 REMARK 620 N 1 2 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ACT A 120 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 121 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 1816 DBREF 3T7Z A 1 119 UNP Q58105 Y694_METJA 1 119 SEQRES 1 A 119 MET ILE TYR VAL THR PHE THR PRO TYR GLY ALA PHE GLY SEQRES 2 A 119 VAL LYS ASP ASN LYS GLU VAL SER GLY LEU GLU ASP ILE SEQRES 3 A 119 GLU TYR LYS LYS LEU PHE ASN GLU GLU GLU ILE PRO ASP SEQRES 4 A 119 ILE MET PHE LYS LEU LYS THR GLN PRO ASN LYS ILE ALA SEQRES 5 A 119 ASP GLU LEU LYS GLU GLU TRP GLY ASP GLU ILE LYS LEU SEQRES 6 A 119 GLU THR LEU SER THR GLU PRO PHE ASN ILE GLY GLU PHE SEQRES 7 A 119 LEU ARG ASN ASN LEU PHE LYS VAL GLY LYS GLU LEU GLY SEQRES 8 A 119 TYR PHE ASN ASN TYR ASP GLU PHE ARG LYS LYS MET HIS SEQRES 9 A 119 TYR TRP SER THR GLU LEU THR LYS LYS VAL ILE LYS SER SEQRES 10 A 119 TYR ALA HET ACT A 120 4 HET NA A 121 1 HET GOL A1816 6 HETNAM ACT ACETATE ION HETNAM NA SODIUM ION HETNAM GOL GLYCEROL HETSYN GOL GLYCERIN; PROPANE-1,2,3-TRIOL FORMUL 2 ACT C2 H3 O2 1- FORMUL 3 NA NA 1+ FORMUL 4 GOL C3 H8 O3 FORMUL 5 HOH *71(H2 O) HELIX 1 1 GLY A 22 ILE A 26 5 5 HELIX 2 2 ASN A 33 GLU A 35 5 3 HELIX 3 3 GLU A 36 GLN A 47 1 12 HELIX 4 4 GLN A 47 GLY A 60 1 14 HELIX 5 5 THR A 67 SER A 69 5 3 HELIX 6 6 PHE A 73 ASN A 82 1 10 HELIX 7 7 ASN A 82 LEU A 90 1 9 HELIX 8 8 ASN A 95 TYR A 118 1 24 SHEET 1 A 4 TYR A 28 LEU A 31 0 SHEET 2 A 4 GLY A 10 LYS A 15 -1 N GLY A 13 O TYR A 28 SHEET 3 A 4 ILE A 2 THR A 7 -1 N TYR A 3 O VAL A 14 SHEET 4 A 4 ILE A 63 LEU A 65 1 O LYS A 64 N ILE A 2 LINK OG SER A 21 NA NA A 121 1555 1555 2.33 LINK OD2 ASP A 25 NA NA A 121 1555 1555 2.59 LINK OD1 ASP A 25 NA NA A 121 1555 1555 2.94 SITE *** AC1 2 HIS A 104 HOH A 189 SITE *** AC2 2 SER A 21 ASP A 25 SITE *** AC3 6 GLU A 19 VAL A 20 ASN A 74 GLU A 77 SITE *** AC3 6 PHE A 78 LYS A 85 CRYST1 45.695 86.511 129.387 90.00 90.00 90.00 F 2 2 2 16 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 0.021884 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011559 0.000000 0.00000 SCALE3 0.000000 0.000000 0.007729 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: A1816 GOL HO2 : A1816 GOL O2 : A1816 GOL C2 :(short bond) USER MOD Set 1.1: A 43 LYS NZ :NH3+ -151:sc= -1.31! (180deg=0) USER MOD Set 1.2: A 47 GLN : amide:sc= -8.67! C(o=-21!,f=-25!) USER MOD Set 1.3: A 50 LYS NZ :NH3+ -158:sc= -11.4! (180deg=-8.26!) USER MOD Set 2.1: A 15 LYS NZ :NH3+ 177:sc=-0.00327 (180deg=-0.01) USER MOD Set 2.2: A 28 TYR OH : rot 130:sc= -0.0189 USER MOD Single : A 1 MET CE :methyl 178:sc= -0.0132 (180deg=-0.0162) USER MOD Single : A 1 MET N :NH3+ 170:sc= 0.937 (180deg=0.871) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1A: rot -104:sc= 0.932 USER MOD Single : A 5 THR OG1B: rot 111:sc= 0.81 USER MOD Single : A 7 THR OG1 : rot 170:sc= 0.858 USER MOD Single : A 9 TYR OH : rot 155:sc= 1.16 USER MOD Single : A 17 ASN : amide:sc= 1.17 K(o=1.2,f=-2.9!) USER MOD Single : A 18 LYS NZ :NH3+ -175:sc= 0.663 (180deg=0.559) USER MOD Single : A 29 LYS NZ :NH3+ -113:sc= 0.436 (180deg=0.104) USER MOD Single : A 30 LYS NZ :NH3+ 158:sc= 0.487 (180deg=0.311) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 41 MET CE :methyl -130:sc= -0.0191 (180deg=-2.14!) USER MOD Single : A 45 LYS NZ :NH3+ -141:sc= -0.0898 (180deg=-0.574) USER MOD Single : A 46 THR OG1 : rot -73:sc= 0.992 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 56 LYS NZ :NH3+ 166:sc= 0.631 (180deg=0.527) USER MOD Single : A 64 LYS NZ :NH3+ 159:sc= 1.38 (180deg=0.939) USER MOD Single : A 67 THR OG1 : rot -105:sc= 0.0142 USER MOD Single : A 69 SER OG : rot -145:sc= 2.06 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0166 USER MOD Single : A 74 ASN : amide:sc= 0.429 K(o=0.43,f=-0.34) USER MOD Single : A 81 ASN : amide:sc= -0.532! C(o=-0.53!,f=-6.5!) USER MOD Single : A 82 ASN : amide:sc= 1.05 K(o=1,f=-0.42) USER MOD Single : A 85 LYS NZ :NH3+ -117:sc= 0.903 (180deg=-0.382) USER MOD Single : A 88 LYS NZ :NH3+ 177:sc= -0.015 (180deg=-0.0229) USER MOD Single : A 92 TYR OH : rot -166:sc= 1.34 USER MOD Single : A 94 ASN : amide:sc= -0.251 K(o=-0.25,f=-2.5!) USER MOD Single : A 95 ASN : amide:sc= -0.0265 K(o=-0.026,f=-3.4!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -171:sc= 2.29 (180deg=2.19) USER MOD Single : A 103 MET CE :methyl -163:sc= -0.112 (180deg=-0.461) USER MOD Single : A 104 HIS : no HD1:sc= -9.4! C(o=-9.4!,f=-16!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 84:sc= 0.00405 USER MOD Single : A 108 THR OG1 : rot 82:sc= 0.345 USER MOD Single : A 111 THR OG1 : rot 89:sc= 0.592 USER MOD Single : A 112 LYS NZ :NH3+ -173:sc= 1.21 (180deg=1.15) USER MOD Single : A 113 LYS NZ :NH3+ -139:sc= -0.0962 (180deg=-0.917) USER MOD Single : A 117 SER OG : rot -54:sc= 1.05 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A1816 GOL O1 : rot 100:sc= -12.7! USER MOD Single : A1816 GOL O3 : rot 170:sc=-0.00177 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.764 -3.907 -11.802 1.00 33.48 N ANISOU 1 N MET A 1 4349 4540 3831 466 -410 -213 N ATOM 2 CA MET A 1 -3.873 -2.452 -11.748 1.00 28.06 C ANISOU 2 CA MET A 1 3663 3895 3104 387 -332 -193 C ATOM 3 C MET A 1 -4.824 -2.021 -12.915 1.00 23.41 C ANISOU 3 C MET A 1 3044 3328 2525 370 -229 -189 C ATOM 4 O MET A 1 -4.536 -2.330 -14.068 1.00 21.81 O ANISOU 4 O MET A 1 2752 3185 2351 409 -220 -232 O ATOM 5 CB MET A 1 -2.491 -1.798 -11.970 1.00 31.04 C ANISOU 5 CB MET A 1 3937 4367 3489 380 -357 -235 C ATOM 6 CG MET A 1 -2.642 -0.287 -12.032 1.00 28.82 C ANISOU 6 CG MET A 1 3656 4121 3173 294 -274 -213 C ATOM 7 SD MET A 1 -3.121 0.491 -10.416 1.00 41.64 S ANISOU 7 SD MET A 1 5422 5666 4735 217 -271 -158 S ATOM 8 CE MET A 1 -1.447 0.538 -9.776 1.00 44.46 C ANISOU 8 CE MET A 1 5724 6076 5093 222 -382 -193 C ATOM 0 H1 MET A 1 -3.121 -4.178 -11.249 1.00 33.48 H new ATOM 0 H2 MET A 1 -4.538 -4.272 -11.558 1.00 33.48 H new ATOM 0 H3 MET A 1 -3.566 -4.159 -12.632 1.00 33.48 H new ATOM 0 HA MET A 1 -4.211 -2.174 -10.883 1.00 28.06 H new ATOM 0 HB2 MET A 1 -1.889 -2.042 -11.250 1.00 31.04 H new ATOM 0 HB3 MET A 1 -2.097 -2.126 -12.793 1.00 31.04 H new ATOM 0 HG2 MET A 1 -1.805 0.100 -12.331 1.00 28.82 H new ATOM 0 HG3 MET A 1 -3.311 -0.065 -12.698 1.00 28.82 H new ATOM 0 HE1 MET A 1 -1.446 0.958 -8.902 1.00 44.46 H new ATOM 0 HE2 MET A 1 -1.104 -0.366 -9.701 1.00 44.46 H new ATOM 0 HE3 MET A 1 -0.884 1.048 -10.379 1.00 44.46 H new ATOM 9 N ILE A 2 -5.927 -1.348 -12.614 1.00 22.65 N ANISOU 9 N ILE A 2 3020 3182 2405 314 -158 -143 N ATOM 10 CA ILE A 2 -6.876 -0.935 -13.619 1.00 18.73 C ANISOU 10 CA ILE A 2 2501 2693 1923 299 -78 -133 C ATOM 11 C ILE A 2 -6.708 0.539 -13.914 1.00 18.35 C ANISOU 11 C ILE A 2 2422 2693 1857 237 -18 -122 C ATOM 12 O ILE A 2 -6.728 1.317 -13.018 1.00 19.86 O ANISOU 12 O ILE A 2 2666 2856 2024 187 -3 -100 O ATOM 13 CB ILE A 2 -8.303 -1.182 -13.166 1.00 17.68 C ANISOU 13 CB ILE A 2 2456 2468 1795 283 -38 -93 C ATOM 14 CG1 ILE A 2 -8.507 -2.652 -12.910 1.00 21.46 C ANISOU 14 CG1 ILE A 2 2970 2892 2292 336 -97 -99 C ATOM 15 CG2 ILE A 2 -9.265 -0.727 -14.179 1.00 18.73 C ANISOU 15 CG2 ILE A 2 2559 2606 1952 270 30 -83 C ATOM 16 CD1 ILE A 2 -9.813 -3.023 -12.303 1.00 18.88 C ANISOU 16 CD1 ILE A 2 2733 2472 1968 313 -61 -60 C ATOM 0 H ILE A 2 -6.142 -1.119 -11.813 1.00 22.65 H new ATOM 0 HA ILE A 2 -6.705 -1.459 -14.417 1.00 18.73 H new ATOM 0 HB ILE A 2 -8.453 -0.680 -12.350 1.00 17.68 H new ATOM 0 HG12 ILE A 2 -8.413 -3.127 -13.751 1.00 21.46 H new ATOM 0 HG13 ILE A 2 -7.797 -2.964 -12.327 1.00 21.46 H new ATOM 0 HG21 ILE A 2 -10.168 -0.895 -13.867 1.00 18.73 H new ATOM 0 HG22 ILE A 2 -9.148 0.224 -14.332 1.00 18.73 H new ATOM 0 HG23 ILE A 2 -9.115 -1.209 -15.008 1.00 18.73 H new ATOM 0 HD11 ILE A 2 -9.850 -3.984 -12.177 1.00 18.88 H new ATOM 0 HD12 ILE A 2 -9.908 -2.581 -11.445 1.00 18.88 H new ATOM 0 HD13 ILE A 2 -10.533 -2.746 -12.891 1.00 18.88 H new ATOM 17 N TYR A 3 -6.551 0.904 -15.183 1.00 16.03 N ANISOU 17 N TYR A 3 2050 2469 1573 236 14 -137 N ATOM 18 CA TYR A 3 -6.396 2.317 -15.589 1.00 15.17 C ANISOU 18 CA TYR A 3 1914 2401 1448 171 67 -119 C ATOM 19 C TYR A 3 -7.756 2.779 -16.057 1.00 15.92 C ANISOU 19 C TYR A 3 2044 2447 1560 150 125 -79 C ATOM 20 O TYR A 3 -8.331 2.162 -16.921 1.00 15.85 O ANISOU 20 O TYR A 3 2015 2441 1567 183 129 -83 O ATOM 21 CB TYR A 3 -5.385 2.384 -16.793 1.00 13.18 C ANISOU 21 CB TYR A 3 1556 2262 1190 177 67 -157 C ATOM 22 CG TYR A 3 -3.951 2.264 -16.282 1.00 17.44 C ANISOU 22 CG TYR A 3 2044 2857 1727 184 15 -198 C ATOM 23 CD1 TYR A 3 -3.499 1.085 -15.767 1.00 19.48 C ANISOU 23 CD1 TYR A 3 2297 3100 2004 250 -56 -234 C ATOM 24 CD2 TYR A 3 -3.043 3.365 -16.367 1.00 17.61 C ANISOU 24 CD2 TYR A 3 2015 2943 1732 121 34 -201 C ATOM 25 CE1 TYR A 3 -2.088 0.930 -15.293 1.00 21.35 C ANISOU 25 CE1 TYR A 3 2472 3388 2252 265 -120 -277 C ATOM 26 CE2 TYR A 3 -1.695 3.217 -15.860 1.00 19.08 C ANISOU 26 CE2 TYR A 3 2141 3180 1926 129 -22 -245 C ATOM 27 CZ TYR A 3 -1.307 1.989 -15.325 1.00 22.61 C ANISOU 27 CZ TYR A 3 2583 3609 2398 204 -100 -280 C ATOM 28 OH TYR A 3 -0.001 1.876 -14.888 1.00 27.05 O ANISOU 28 OH TYR A 3 3078 4222 2980 215 -163 -323 O ATOM 0 H TYR A 3 -6.530 0.347 -15.838 1.00 16.03 H new ATOM 0 HA TYR A 3 -6.067 2.869 -14.862 1.00 15.17 H new ATOM 0 HB2 TYR A 3 -5.572 1.670 -17.422 1.00 13.18 H new ATOM 0 HB3 TYR A 3 -5.496 3.220 -17.272 1.00 13.18 H new ATOM 0 HD1 TYR A 3 -4.080 0.361 -15.709 1.00 19.48 H new ATOM 0 HD2 TYR A 3 -3.316 4.170 -16.745 1.00 17.61 H new ATOM 0 HE1 TYR A 3 -1.773 0.111 -14.985 1.00 21.35 H new ATOM 0 HE2 TYR A 3 -1.098 3.929 -15.891 1.00 19.08 H new ATOM 0 HH TYR A 3 0.385 2.619 -14.962 1.00 27.05 H new ATOM 29 N VAL A 4 -8.202 3.873 -15.482 1.00 16.50 N ANISOU 29 N VAL A 4 2164 2474 1633 96 165 -46 N ATOM 30 CA VAL A 4 -9.635 4.331 -15.597 1.00 16.87 C ANISOU 30 CA VAL A 4 2251 2447 1713 80 216 -9 C ATOM 31 C VAL A 4 -9.697 5.696 -16.084 1.00 18.97 C ANISOU 31 C VAL A 4 2502 2721 1985 27 253 18 C ATOM 32 O VAL A 4 -8.922 6.572 -15.598 1.00 22.69 O ANISOU 32 O VAL A 4 2976 3208 2436 -18 256 16 O ATOM 33 CB VAL A 4 -10.290 4.281 -14.230 1.00 18.71 C ANISOU 33 CB VAL A 4 2567 2591 1949 68 235 -2 C ATOM 34 CG1 VAL A 4 -11.776 4.703 -14.318 1.00 18.10 C ANISOU 34 CG1 VAL A 4 2517 2439 1922 56 293 24 C ATOM 35 CG2 VAL A 4 -10.090 2.914 -13.607 1.00 20.71 C ANISOU 35 CG2 VAL A 4 2851 2832 2187 111 187 -20 C ATOM 0 H VAL A 4 -7.708 4.393 -15.007 1.00 16.50 H new ATOM 0 HA VAL A 4 -10.095 3.746 -16.219 1.00 16.87 H new ATOM 0 HB VAL A 4 -9.863 4.923 -13.641 1.00 18.71 H new ATOM 0 HG11 VAL A 4 -12.176 4.664 -13.435 1.00 18.10 H new ATOM 0 HG12 VAL A 4 -11.836 5.609 -14.660 1.00 18.10 H new ATOM 0 HG13 VAL A 4 -12.249 4.101 -14.914 1.00 18.10 H new ATOM 0 HG21 VAL A 4 -10.512 2.891 -12.734 1.00 20.71 H new ATOM 0 HG22 VAL A 4 -10.489 2.237 -14.176 1.00 20.71 H new ATOM 0 HG23 VAL A 4 -9.141 2.737 -13.512 1.00 20.71 H new ATOM 36 N ATHR A 5 -10.602 5.943 -17.058 0.61 16.21 N ANISOU 36 N ATHR A 5 2136 2356 1666 29 274 45 N ATOM 37 N BTHR A 5 -10.621 5.955 -17.029 0.39 16.37 N ANISOU 37 N BTHR A 5 2158 2374 1687 29 275 45 N ATOM 38 CA ATHR A 5 -10.999 7.291 -17.484 0.61 17.78 C ANISOU 38 CA ATHR A 5 2336 2531 1887 -19 304 84 C ATOM 39 CA BTHR A 5 -10.968 7.311 -17.458 0.39 17.70 C ANISOU 39 CA BTHR A 5 2328 2522 1877 -20 304 84 C ATOM 40 C ATHR A 5 -12.497 7.415 -17.283 0.61 18.80 C ANISOU 40 C ATHR A 5 2499 2563 2080 -7 332 105 C ATOM 41 C BTHR A 5 -12.473 7.459 -17.485 0.39 19.30 C ANISOU 41 C BTHR A 5 2555 2635 2143 -8 330 109 C ATOM 42 O ATHR A 5 -13.184 6.420 -17.380 0.61 20.07 O ANISOU 42 O ATHR A 5 2660 2705 2260 35 325 96 O ATOM 43 O BTHR A 5 -13.149 6.537 -17.949 0.39 19.00 O ANISOU 43 O BTHR A 5 2506 2592 2123 34 317 105 O ATOM 44 CB ATHR A 5 -10.630 7.554 -18.954 0.61 19.20 C ANISOU 44 CB ATHR A 5 2463 2787 2044 -35 292 103 C ATOM 45 CB BTHR A 5 -10.469 7.619 -18.872 0.39 18.87 C ANISOU 45 CB BTHR A 5 2422 2751 1998 -39 292 101 C ATOM 46 OG1ATHR A 5 -9.189 7.581 -19.038 0.61 17.09 O ANISOU 46 OG1ATHR A 5 2157 2611 1725 -56 279 77 O ATOM 47 OG1BTHR A 5 -10.658 9.015 -19.155 0.39 23.24 O ANISOU 47 OG1BTHR A 5 2986 3275 2569 -96 311 146 O ATOM 48 CG2ATHR A 5 -11.152 8.901 -19.445 0.61 24.88 C ANISOU 48 CG2ATHR A 5 3195 3466 2792 -84 310 156 C ATOM 49 CG2BTHR A 5 -11.161 6.765 -19.882 0.39 18.39 C ANISOU 49 CG2BTHR A 5 2340 2705 1944 2 276 103 C ATOM 0 H ATHR A 5 -11.003 5.317 -17.490 0.61 16.37 H new ATOM 0 H BTHR A 5 -11.062 5.340 -17.437 0.39 16.37 H new ATOM 0 HA ATHR A 5 -10.525 7.951 -16.955 0.61 17.70 H new ATOM 0 HA BTHR A 5 -10.549 7.919 -16.829 0.39 17.70 H new ATOM 0 HB ATHR A 5 -11.026 6.859 -19.502 0.61 18.87 H new ATOM 0 HB BTHR A 5 -9.522 7.415 -18.924 0.39 18.87 H new ATOM 0 HG1ATHR A 5 -8.928 8.375 -19.116 0.61 23.24 H new ATOM 0 HG1BTHR A 5 -9.911 9.397 -19.195 0.39 23.24 H new ATOM 0 HG21ATHR A 5 -10.899 9.028 -20.373 0.61 18.39 H new ATOM 0 HG21BTHR A 5 -10.829 6.978 -20.768 0.39 18.39 H new ATOM 0 HG22ATHR A 5 -12.119 8.921 -19.368 0.61 18.39 H new ATOM 0 HG22BTHR A 5 -10.988 5.830 -19.688 0.39 18.39 H new ATOM 0 HG23ATHR A 5 -10.771 9.612 -18.906 0.61 18.39 H new ATOM 0 HG23BTHR A 5 -12.116 6.931 -19.847 0.39 18.39 H new ATOM 50 N PHE A 6 -12.942 8.632 -17.068 1.00 19.42 N ANISOU 50 N PHE A 6 2598 2584 2197 -44 362 129 N ATOM 51 CA PHE A 6 -14.358 8.916 -16.926 1.00 22.13 C ANISOU 51 CA PHE A 6 2956 2833 2617 -32 392 144 C ATOM 52 C PHE A 6 -14.694 9.786 -18.063 1.00 24.75 C ANISOU 52 C PHE A 6 3261 3160 2982 -49 375 189 C ATOM 53 O PHE A 6 -13.914 10.662 -18.475 1.00 26.84 O ANISOU 53 O PHE A 6 3521 3459 3219 -92 364 212 O ATOM 54 CB PHE A 6 -14.498 9.726 -15.631 1.00 23.55 C ANISOU 54 CB PHE A 6 3186 2943 2819 -63 438 126 C ATOM 55 CG PHE A 6 -14.772 8.914 -14.404 1.00 20.74 C ANISOU 55 CG PHE A 6 2875 2556 2449 -49 467 89 C ATOM 56 CD1 PHE A 6 -13.849 8.129 -13.818 1.00 21.67 C ANISOU 56 CD1 PHE A 6 3015 2724 2495 -46 441 67 C ATOM 57 CD2 PHE A 6 -16.036 9.015 -13.771 1.00 22.59 C ANISOU 57 CD2 PHE A 6 3132 2703 2747 -44 523 76 C ATOM 58 CE1 PHE A 6 -14.090 7.487 -12.691 1.00 23.77 C ANISOU 58 CE1 PHE A 6 3336 2956 2741 -44 462 44 C ATOM 59 CE2 PHE A 6 -16.266 8.405 -12.609 1.00 25.43 C ANISOU 59 CE2 PHE A 6 3543 3035 3083 -48 558 46 C ATOM 60 CZ PHE A 6 -15.330 7.597 -12.068 1.00 27.12 C ANISOU 60 CZ PHE A 6 3792 3299 3215 -49 525 34 C ATOM 0 H APHE A 6 -12.434 9.322 -16.999 0.61 19.42 H new ATOM 0 H BPHE A 6 -12.434 9.293 -16.857 0.39 19.42 H new ATOM 0 HA PHE A 6 -14.919 8.125 -16.903 1.00 22.13 H new ATOM 0 HB2 PHE A 6 -13.682 10.232 -15.492 1.00 23.55 H new ATOM 0 HB3 PHE A 6 -15.215 10.369 -15.744 1.00 23.55 H new ATOM 0 HD1 PHE A 6 -13.016 8.036 -14.220 1.00 21.67 H new ATOM 0 HD2 PHE A 6 -16.712 9.512 -14.171 1.00 22.59 H new ATOM 0 HE1 PHE A 6 -13.427 6.957 -12.310 1.00 23.77 H new ATOM 0 HE2 PHE A 6 -17.075 8.536 -12.169 1.00 25.43 H new ATOM 0 HZ PHE A 6 -15.511 7.121 -11.290 1.00 27.12 H new ATOM 61 N THR A 7 -15.879 9.554 -18.620 1.00 21.00 N ANISOU 61 N THR A 7 2770 2641 2570 -19 368 207 N ATOM 62 CA THR A 7 -16.521 10.525 -19.516 1.00 21.29 C ANISOU 62 CA THR A 7 2790 2636 2661 -33 346 256 C ATOM 63 C THR A 7 -17.741 11.017 -18.650 1.00 23.15 C ANISOU 63 C THR A 7 3036 2753 3004 -18 389 243 C ATOM 64 O THR A 7 -17.998 10.480 -17.547 1.00 18.71 O ANISOU 64 O THR A 7 2495 2164 2451 -5 436 198 O ATOM 65 CB THR A 7 -17.056 9.847 -20.818 1.00 28.06 C ANISOU 65 CB THR A 7 3615 3528 3518 -6 296 281 C ATOM 66 OG1 THR A 7 -18.152 8.941 -20.546 1.00 24.49 O ANISOU 66 OG1 THR A 7 3150 3030 3127 40 303 257 O ATOM 67 CG2 THR A 7 -16.021 8.985 -21.529 1.00 26.34 C ANISOU 67 CG2 THR A 7 3382 3426 3199 -5 270 268 C ATOM 0 H THR A 7 -16.334 8.836 -18.493 1.00 21.00 H new ATOM 0 HA THR A 7 -15.914 11.223 -19.807 1.00 21.29 H new ATOM 0 HB THR A 7 -17.319 10.600 -21.369 1.00 28.06 H new ATOM 0 HG1 THR A 7 -18.507 8.705 -21.270 1.00 24.49 H new ATOM 0 HG21 THR A 7 -16.416 8.596 -22.325 1.00 26.34 H new ATOM 0 HG22 THR A 7 -15.261 9.533 -21.780 1.00 26.34 H new ATOM 0 HG23 THR A 7 -15.726 8.277 -20.935 1.00 26.34 H new ATOM 68 N PRO A 8 -18.520 11.949 -19.205 1.00 25.28 N ANISOU 68 N PRO A 8 3291 2956 3357 -20 369 281 N ATOM 69 CA PRO A 8 -19.743 12.318 -18.435 1.00 22.65 C ANISOU 69 CA PRO A 8 2952 2514 3141 2 414 255 C ATOM 70 C PRO A 8 -20.690 11.147 -18.264 1.00 22.37 C ANISOU 70 C PRO A 8 2889 2467 3143 44 431 226 C ATOM 71 O PRO A 8 -21.401 11.094 -17.232 1.00 24.06 O ANISOU 71 O PRO A 8 3106 2618 3417 52 497 181 O ATOM 72 CB PRO A 8 -20.345 13.395 -19.287 1.00 24.37 C ANISOU 72 CB PRO A 8 3148 2667 3443 1 367 307 C ATOM 73 CG PRO A 8 -19.142 13.980 -20.060 1.00 28.90 C ANISOU 73 CG PRO A 8 3747 3307 3926 -47 322 357 C ATOM 74 CD PRO A 8 -18.331 12.820 -20.392 1.00 28.19 C ANISOU 74 CD PRO A 8 3653 3333 3723 -47 312 345 C ATOM 0 HA PRO A 8 -19.550 12.600 -17.527 1.00 22.65 H new ATOM 0 HB2 PRO A 8 -21.015 13.037 -19.891 1.00 24.37 H new ATOM 0 HB3 PRO A 8 -20.783 14.072 -18.747 1.00 24.37 H new ATOM 0 HG2 PRO A 8 -19.429 14.451 -20.858 1.00 28.90 H new ATOM 0 HG3 PRO A 8 -18.647 14.614 -19.518 1.00 28.90 H new ATOM 0 HD2 PRO A 8 -18.632 12.390 -21.208 1.00 28.19 H new ATOM 0 HD3 PRO A 8 -17.399 13.056 -20.523 1.00 28.19 H new ATOM 75 N TYR A 9 -20.673 10.155 -19.129 1.00 19.81 N ANISOU 75 N TYR A 9 2544 2205 2779 63 382 241 N ATOM 76 CA TYR A 9 -21.664 9.130 -19.058 1.00 17.08 C ANISOU 76 CA TYR A 9 2169 1837 2484 97 391 218 C ATOM 77 C TYR A 9 -21.177 7.789 -18.519 1.00 16.88 C ANISOU 77 C TYR A 9 2168 1866 2381 104 410 182 C ATOM 78 O TYR A 9 -21.929 6.813 -18.431 1.00 19.25 O ANISOU 78 O TYR A 9 2451 2149 2716 126 417 163 O ATOM 79 CB TYR A 9 -22.320 8.935 -20.466 1.00 22.44 C ANISOU 79 CB TYR A 9 2802 2523 3199 119 311 258 C ATOM 80 CG TYR A 9 -21.332 8.738 -21.632 1.00 23.46 C ANISOU 80 CG TYR A 9 2944 2751 3220 104 246 292 C ATOM 81 CD1 TYR A 9 -20.698 7.573 -21.788 1.00 21.69 C ANISOU 81 CD1 TYR A 9 2727 2606 2910 114 238 266 C ATOM 82 CD2 TYR A 9 -21.089 9.787 -22.561 1.00 24.83 C ANISOU 82 CD2 TYR A 9 3121 2931 3383 78 195 350 C ATOM 83 CE1 TYR A 9 -19.702 7.373 -22.853 1.00 28.29 C ANISOU 83 CE1 TYR A 9 3568 3542 3639 99 192 283 C ATOM 84 CE2 TYR A 9 -20.136 9.608 -23.609 1.00 28.47 C ANISOU 84 CE2 TYR A 9 3595 3492 3730 54 150 376 C ATOM 85 CZ TYR A 9 -19.477 8.398 -23.751 1.00 29.33 C ANISOU 85 CZ TYR A 9 3703 3688 3751 66 154 337 C ATOM 86 OH TYR A 9 -18.577 8.281 -24.846 1.00 28.88 O ANISOU 86 OH TYR A 9 3652 3733 3587 39 118 355 O ATOM 0 H TYR A 9 -20.096 10.063 -19.760 1.00 19.81 H new ATOM 0 HA TYR A 9 -22.313 9.442 -18.408 1.00 17.08 H new ATOM 0 HB2 TYR A 9 -22.910 8.166 -20.428 1.00 22.44 H new ATOM 0 HB3 TYR A 9 -22.874 9.708 -20.658 1.00 22.44 H new ATOM 0 HD1 TYR A 9 -20.891 6.871 -21.209 1.00 21.69 H new ATOM 0 HD2 TYR A 9 -21.551 10.590 -22.486 1.00 24.83 H new ATOM 0 HE1 TYR A 9 -19.234 6.572 -22.920 1.00 28.29 H new ATOM 0 HE2 TYR A 9 -19.957 10.305 -24.198 1.00 28.47 H new ATOM 0 HH TYR A 9 -18.802 8.817 -25.452 1.00 28.88 H new ATOM 87 N GLY A 10 -19.870 7.681 -18.196 1.00 17.09 N ANISOU 87 N GLY A 10 2232 1958 2305 85 411 173 N ATOM 88 CA GLY A 10 -19.442 6.414 -17.689 1.00 15.10 C ANISOU 88 CA GLY A 10 2002 1744 1992 98 416 142 C ATOM 89 C GLY A 10 -18.005 6.467 -17.181 1.00 18.54 C ANISOU 89 C GLY A 10 2473 2239 2330 78 413 130 C ATOM 90 O GLY A 10 -17.296 7.390 -17.528 1.00 20.03 O ANISOU 90 O GLY A 10 2659 2458 2493 53 401 148 O ATOM 0 H GLY A 10 -19.272 8.295 -18.264 1.00 17.09 H new ATOM 0 HA2 GLY A 10 -20.030 6.138 -16.969 1.00 15.10 H new ATOM 0 HA3 GLY A 10 -19.514 5.744 -18.387 1.00 15.10 H new ATOM 91 N ALA A 11 -17.647 5.447 -16.434 1.00 19.49 N ANISOU 91 N ALA A 11 2625 2374 2407 88 418 102 N ATOM 92 CA ALA A 11 -16.237 5.126 -16.039 1.00 21.45 C ANISOU 92 CA ALA A 11 2897 2686 2566 83 393 86 C ATOM 93 C ALA A 11 -15.808 3.888 -16.738 1.00 18.67 C ANISOU 93 C ALA A 11 2521 2392 2182 122 340 74 C ATOM 94 O ALA A 11 -16.479 2.888 -16.787 1.00 18.43 O ANISOU 94 O ALA A 11 2491 2334 2176 149 332 65 O ATOM 95 CB ALA A 11 -16.079 5.018 -14.463 1.00 20.25 C ANISOU 95 CB ALA A 11 2813 2495 2387 61 431 64 C ATOM 0 H ALA A 11 -18.218 4.887 -16.118 1.00 19.49 H new ATOM 0 HA ALA A 11 -15.654 5.852 -16.312 1.00 21.45 H new ATOM 0 HB1 ALA A 11 -15.157 4.810 -14.243 1.00 20.25 H new ATOM 0 HB2 ALA A 11 -16.326 5.862 -14.054 1.00 20.25 H new ATOM 0 HB3 ALA A 11 -16.657 4.316 -14.127 1.00 20.25 H new ATOM 96 N PHE A 12 -14.592 3.909 -17.325 1.00 15.35 N ANISOU 96 N PHE A 12 2073 2056 1705 124 303 66 N ATOM 97 CA PHE A 12 -14.181 2.847 -18.189 1.00 12.87 C ANISOU 97 CA PHE A 12 1724 1801 1365 163 257 45 C ATOM 98 C PHE A 12 -12.725 2.459 -17.817 1.00 16.42 C ANISOU 98 C PHE A 12 2168 2314 1757 173 227 12 C ATOM 99 O PHE A 12 -11.887 3.356 -17.663 1.00 17.24 O ANISOU 99 O PHE A 12 2263 2457 1832 139 235 16 O ATOM 100 CB PHE A 12 -14.162 3.282 -19.616 1.00 16.57 C ANISOU 100 CB PHE A 12 2145 2324 1825 157 242 60 C ATOM 101 CG PHE A 12 -15.608 3.670 -20.064 1.00 17.19 C ANISOU 101 CG PHE A 12 2222 2337 1970 152 253 94 C ATOM 102 CD1 PHE A 12 -16.395 2.749 -20.661 1.00 22.17 C ANISOU 102 CD1 PHE A 12 2840 2955 2630 184 228 85 C ATOM 103 CD2 PHE A 12 -16.000 5.003 -19.980 1.00 20.40 C ANISOU 103 CD2 PHE A 12 2635 2704 2410 115 278 131 C ATOM 104 CE1 PHE A 12 -17.743 3.118 -21.088 1.00 26.58 C ANISOU 104 CE1 PHE A 12 3386 3452 3261 180 228 116 C ATOM 105 CE2 PHE A 12 -17.335 5.363 -20.355 1.00 24.17 C ANISOU 105 CE2 PHE A 12 3102 3114 2966 118 280 160 C ATOM 106 CZ PHE A 12 -18.139 4.414 -20.914 1.00 24.97 C ANISOU 106 CZ PHE A 12 3185 3206 3098 150 253 152 C ATOM 0 H PHE A 12 -14.012 4.536 -17.221 1.00 15.35 H new ATOM 0 HA PHE A 12 -14.804 2.111 -18.084 1.00 12.87 H new ATOM 0 HB2 PHE A 12 -13.565 4.039 -19.725 1.00 16.57 H new ATOM 0 HB3 PHE A 12 -13.820 2.568 -20.177 1.00 16.57 H new ATOM 0 HD1 PHE A 12 -16.081 1.885 -20.800 1.00 22.17 H new ATOM 0 HD2 PHE A 12 -15.403 5.652 -19.684 1.00 20.40 H new ATOM 0 HE1 PHE A 12 -18.314 2.489 -21.467 1.00 26.58 H new ATOM 0 HE2 PHE A 12 -17.648 6.228 -20.220 1.00 24.17 H new ATOM 0 HZ PHE A 12 -18.993 4.659 -21.188 1.00 24.97 H new ATOM 107 N GLY A 13 -12.497 1.178 -17.711 1.00 16.33 N ANISOU 107 N GLY A 13 2158 2308 1740 218 190 -18 N ATOM 108 CA GLY A 13 -11.166 0.701 -17.213 1.00 14.49 C ANISOU 108 CA GLY A 13 1917 2119 1468 237 149 -52 C ATOM 109 C GLY A 13 -10.633 -0.421 -18.026 1.00 19.38 C ANISOU 109 C GLY A 13 2489 2790 2084 292 104 -96 C ATOM 110 O GLY A 13 -11.336 -1.231 -18.634 1.00 17.70 O ANISOU 110 O GLY A 13 2273 2557 1895 324 93 -106 O ATOM 0 H GLY A 13 -13.060 0.559 -17.908 1.00 16.33 H new ATOM 0 HA2 GLY A 13 -10.534 1.437 -17.227 1.00 14.49 H new ATOM 0 HA3 GLY A 13 -11.251 0.417 -16.289 1.00 14.49 H new ATOM 111 N AVAL A 14 -9.298 -0.492 -18.056 0.68 16.92 N ANISOU 111 N AVAL A 14 2133 2550 1746 305 75 -132 N ATOM 112 N BVAL A 14 -9.304 -0.516 -18.013 0.32 16.90 N ANISOU 112 N BVAL A 14 2133 2545 1744 306 74 -132 N ATOM 113 CA AVAL A 14 -8.609 -1.574 -18.677 0.68 17.39 C ANISOU 113 CA AVAL A 14 2141 2658 1809 364 31 -190 C ATOM 114 CA BVAL A 14 -8.569 -1.519 -18.741 0.32 17.45 C ANISOU 114 CA BVAL A 14 2144 2672 1815 362 33 -191 C ATOM 115 C AVAL A 14 -7.366 -1.890 -17.848 0.68 18.34 C ANISOU 115 C AVAL A 14 2246 2797 1926 387 -19 -221 C ATOM 116 C BVAL A 14 -7.351 -1.882 -17.878 0.32 18.32 C ANISOU 116 C BVAL A 14 2241 2796 1922 387 -19 -222 C ATOM 117 O AVAL A 14 -6.732 -0.962 -17.279 0.68 17.17 O ANISOU 117 O AVAL A 14 2095 2673 1756 344 -10 -206 O ATOM 118 O BVAL A 14 -6.693 -0.977 -17.339 0.32 17.62 O ANISOU 118 O BVAL A 14 2148 2735 1813 346 -10 -208 O ATOM 119 CB AVAL A 14 -8.230 -1.281 -20.145 0.68 17.66 C ANISOU 119 CB AVAL A 14 2101 2792 1819 357 56 -220 C ATOM 120 CB BVAL A 14 -8.071 -0.938 -20.079 0.32 17.32 C ANISOU 120 CB BVAL A 14 2054 2760 1768 342 64 -212 C ATOM 121 CG1AVAL A 14 -7.213 -0.153 -20.273 0.68 17.94 C ANISOU 121 CG1AVAL A 14 2090 2909 1819 307 83 -218 C ATOM 122 CG1BVAL A 14 -6.907 -1.693 -20.552 0.32 19.89 C ANISOU 122 CG1BVAL A 14 2306 3162 2089 389 34 -286 C ATOM 123 CG2AVAL A 14 -7.690 -2.512 -20.732 0.68 18.95 C ANISOU 123 CG2AVAL A 14 2216 2992 1992 424 17 -291 C ATOM 124 CG2BVAL A 14 -9.138 -0.974 -21.156 0.32 14.78 C ANISOU 124 CG2BVAL A 14 1738 2433 1447 336 87 -197 C ATOM 0 H AVAL A 14 -8.781 0.101 -17.708 0.68 16.90 H new ATOM 0 H BVAL A 14 -8.801 0.020 -17.566 0.32 16.90 H new ATOM 0 HA AVAL A 14 -9.203 -2.340 -18.706 0.68 17.45 H new ATOM 0 HA BVAL A 14 -9.128 -2.291 -18.924 0.32 17.45 H new ATOM 0 HB AVAL A 14 -9.027 -0.990 -20.615 0.68 17.32 H new ATOM 0 HB BVAL A 14 -7.836 -0.012 -19.912 0.32 17.32 H new ATOM 0 HG11AVAL A 14 -7.008 -0.007 -21.210 0.68 19.89 H new ATOM 0 HG11BVAL A 14 -6.600 -1.321 -21.394 0.32 19.89 H new ATOM 0 HG12AVAL A 14 -7.581 0.660 -19.893 0.68 19.89 H new ATOM 0 HG12BVAL A 14 -6.195 -1.636 -19.895 0.32 19.89 H new ATOM 0 HG13AVAL A 14 -6.402 -0.393 -19.798 0.68 19.89 H new ATOM 0 HG13BVAL A 14 -7.154 -2.622 -20.680 0.32 19.89 H new ATOM 0 HG21AVAL A 14 -7.445 -2.350 -21.656 0.68 14.78 H new ATOM 0 HG21BVAL A 14 -8.782 -0.600 -21.977 0.32 14.78 H new ATOM 0 HG22AVAL A 14 -6.906 -2.791 -20.234 0.68 14.78 H new ATOM 0 HG22BVAL A 14 -9.411 -1.892 -21.311 0.32 14.78 H new ATOM 0 HG23AVAL A 14 -8.362 -3.211 -20.694 0.68 14.78 H new ATOM 0 HG23BVAL A 14 -9.905 -0.453 -20.870 0.32 14.78 H new ATOM 125 N LYS A 15 -7.069 -3.170 -17.709 1.00 16.31 N ANISOU 125 N LYS A 15 1984 2518 1695 453 -79 -260 N ATOM 126 CA LYS A 15 -5.883 -3.583 -16.938 1.00 18.57 C ANISOU 126 CA LYS A 15 2252 2815 1990 486 -147 -290 C ATOM 127 C LYS A 15 -4.669 -3.113 -17.677 1.00 18.76 C ANISOU 127 C LYS A 15 2168 2953 2005 485 -136 -342 C ATOM 128 O LYS A 15 -4.606 -3.245 -18.903 1.00 19.29 O ANISOU 128 O LYS A 15 2172 3087 2070 499 -103 -384 O ATOM 129 CB LYS A 15 -5.876 -5.082 -16.929 1.00 29.23 C ANISOU 129 CB LYS A 15 3608 4115 3382 564 -215 -327 C ATOM 130 CG LYS A 15 -6.846 -5.730 -15.916 1.00 33.58 C ANISOU 130 CG LYS A 15 4272 4544 3942 563 -243 -275 C ATOM 131 CD LYS A 15 -6.318 -5.857 -14.459 1.00 43.30 C ANISOU 131 CD LYS A 15 5568 5722 5161 558 -309 -245 C ATOM 132 CE LYS A 15 -7.372 -6.518 -13.465 1.00 56.31 C ANISOU 132 CE LYS A 15 7342 7249 6804 541 -324 -187 C ATOM 133 NZ LYS A 15 -7.753 -7.910 -13.896 1.00 59.91 N ANISOU 133 NZ LYS A 15 7805 7648 7310 602 -371 -209 N ATOM 0 H ALYS A 15 -7.527 -3.816 -18.044 0.68 16.31 H new ATOM 0 H BLYS A 15 -7.539 -3.817 -18.025 0.32 16.31 H new ATOM 0 HA LYS A 15 -5.893 -3.222 -16.038 1.00 18.57 H new ATOM 0 HB2 LYS A 15 -6.098 -5.399 -17.818 1.00 29.23 H new ATOM 0 HB3 LYS A 15 -4.976 -5.387 -16.736 1.00 29.23 H new ATOM 0 HG2 LYS A 15 -7.665 -5.211 -15.901 1.00 33.58 H new ATOM 0 HG3 LYS A 15 -7.077 -6.616 -16.237 1.00 33.58 H new ATOM 0 HD2 LYS A 15 -5.506 -6.388 -14.461 1.00 43.30 H new ATOM 0 HD3 LYS A 15 -6.080 -4.976 -14.130 1.00 43.30 H new ATOM 0 HE2 LYS A 15 -6.998 -6.548 -12.570 1.00 56.31 H new ATOM 0 HE3 LYS A 15 -8.167 -5.964 -13.422 1.00 56.31 H new ATOM 0 HZ1 LYS A 15 -8.308 -8.265 -13.297 1.00 59.91 H new ATOM 0 HZ2 LYS A 15 -8.155 -7.876 -14.689 1.00 59.91 H new ATOM 0 HZ3 LYS A 15 -7.021 -8.413 -13.957 1.00 59.91 H new ATOM 134 N ASP A 16 -3.691 -2.602 -16.919 1.00 13.74 N ANISOU 134 N ASP A 16 1513 2343 1363 466 -164 -344 N ATOM 135 CA ASP A 16 -2.347 -2.389 -17.400 1.00 16.94 C ANISOU 135 CA ASP A 16 1805 2853 1777 474 -171 -404 C ATOM 136 C ASP A 16 -2.256 -1.442 -18.611 1.00 17.66 C ANISOU 136 C ASP A 16 1833 3042 1834 418 -84 -412 C ATOM 137 O ASP A 16 -1.417 -1.597 -19.485 1.00 19.25 O ANISOU 137 O ASP A 16 1935 3339 2041 433 -68 -477 O ATOM 138 CB ASP A 16 -1.705 -3.770 -17.722 1.00 24.53 C ANISOU 138 CB ASP A 16 2703 3825 2793 570 -236 -483 C ATOM 139 CG ASP A 16 -1.537 -4.621 -16.461 1.00 30.89 C ANISOU 139 CG ASP A 16 3567 4537 3633 620 -341 -470 C ATOM 140 OD1 ASP A 16 -1.401 -4.086 -15.344 1.00 26.69 O ANISOU 140 OD1 ASP A 16 3092 3969 3079 580 -371 -422 O ATOM 141 OD2 ASP A 16 -1.597 -5.831 -16.581 1.00 35.52 O ANISOU 141 OD2 ASP A 16 4154 5079 4264 696 -395 -505 O ATOM 0 H ASP A 16 -3.805 -2.370 -16.099 1.00 13.74 H new ATOM 0 HA ASP A 16 -1.856 -1.940 -16.694 1.00 16.94 H new ATOM 0 HB2 ASP A 16 -2.259 -4.244 -18.362 1.00 24.53 H new ATOM 0 HB3 ASP A 16 -0.840 -3.636 -18.140 1.00 24.53 H new ATOM 142 N ASN A 17 -3.156 -0.467 -18.651 1.00 18.28 N ANISOU 142 N ASN A 17 1975 3093 1879 350 -28 -345 N ATOM 143 CA ASN A 17 -3.054 0.576 -19.671 1.00 18.98 C ANISOU 143 CA ASN A 17 2021 3262 1930 284 44 -334 C ATOM 144 C ASN A 17 -2.961 -0.024 -21.062 1.00 18.15 C ANISOU 144 C ASN A 17 1851 3232 1814 313 70 -388 C ATOM 145 O ASN A 17 -2.298 0.515 -21.975 1.00 21.97 O ANISOU 145 O ASN A 17 2265 3819 2265 271 118 -413 O ATOM 146 CB ASN A 17 -1.856 1.495 -19.394 1.00 17.50 C ANISOU 146 CB ASN A 17 1774 3143 1733 230 51 -344 C ATOM 147 CG ASN A 17 -1.908 2.770 -20.217 1.00 19.00 C ANISOU 147 CG ASN A 17 1950 3389 1880 141 124 -307 C ATOM 148 OD1 ASN A 17 -2.991 3.244 -20.680 1.00 18.26 O ANISOU 148 OD1 ASN A 17 1916 3255 1766 110 161 -252 O ATOM 149 ND2 ASN A 17 -0.757 3.321 -20.490 1.00 19.56 N ANISOU 149 ND2 ASN A 17 1938 3552 1941 97 143 -337 N ATOM 0 H ASN A 17 -3.821 -0.389 -18.111 1.00 18.28 H new ATOM 0 HA ASN A 17 -3.863 1.110 -19.631 1.00 18.98 H new ATOM 0 HB2 ASN A 17 -1.835 1.721 -18.451 1.00 17.50 H new ATOM 0 HB3 ASN A 17 -1.034 1.019 -19.589 1.00 17.50 H new ATOM 0 HD21 ASN A 17 -0.722 4.018 -20.992 1.00 19.56 H new ATOM 0 HD22 ASN A 17 -0.033 2.987 -20.168 1.00 19.56 H new ATOM 150 N LYS A 18 -3.664 -1.158 -21.309 1.00 20.26 N ANISOU 150 N LYS A 18 2146 3450 2102 378 44 -410 N ATOM 151 CA LYS A 18 -3.570 -1.735 -22.642 1.00 24.40 C ANISOU 151 CA LYS A 18 2614 4048 2610 404 69 -471 C ATOM 152 C LYS A 18 -4.196 -0.808 -23.757 1.00 20.58 C ANISOU 152 C LYS A 18 2145 3610 2063 329 136 -426 C ATOM 153 O LYS A 18 -5.002 0.116 -23.446 1.00 18.70 O ANISOU 153 O LYS A 18 1974 3316 1814 275 152 -343 O ATOM 154 CB LYS A 18 -4.251 -3.138 -22.599 1.00 33.28 C ANISOU 154 CB LYS A 18 3773 5095 3775 486 20 -501 C ATOM 155 CG LYS A 18 -3.396 -4.088 -21.697 1.00 42.51 C ANISOU 155 CG LYS A 18 4914 6233 5004 561 -55 -552 C ATOM 156 CD LYS A 18 -3.689 -5.549 -21.892 1.00 44.23 C ANISOU 156 CD LYS A 18 5140 6397 5268 647 -106 -607 C ATOM 157 CE LYS A 18 -5.124 -5.905 -21.676 1.00 43.96 C ANISOU 157 CE LYS A 18 5206 6257 5239 644 -115 -547 C ATOM 158 NZ LYS A 18 -5.481 -5.597 -20.321 1.00 42.83 N ANISOU 158 NZ LYS A 18 5141 6026 5105 620 -142 -472 N ATOM 0 H LYS A 18 -4.166 -1.574 -20.748 1.00 20.26 H new ATOM 0 HA LYS A 18 -2.636 -1.822 -22.889 1.00 24.40 H new ATOM 0 HB2 LYS A 18 -5.152 -3.063 -22.248 1.00 33.28 H new ATOM 0 HB3 LYS A 18 -4.325 -3.503 -23.495 1.00 33.28 H new ATOM 0 HG2 LYS A 18 -2.456 -3.930 -21.877 1.00 42.51 H new ATOM 0 HG3 LYS A 18 -3.549 -3.859 -20.767 1.00 42.51 H new ATOM 0 HD2 LYS A 18 -3.432 -5.806 -22.791 1.00 44.23 H new ATOM 0 HD3 LYS A 18 -3.140 -6.066 -21.282 1.00 44.23 H new ATOM 0 HE2 LYS A 18 -5.688 -5.412 -22.292 1.00 43.96 H new ATOM 0 HE3 LYS A 18 -5.266 -6.848 -21.854 1.00 43.96 H new ATOM 0 HZ1 LYS A 18 -6.312 -5.873 -20.163 1.00 42.83 H new ATOM 0 HZ2 LYS A 18 -4.921 -6.009 -19.765 1.00 42.83 H new ATOM 0 HZ3 LYS A 18 -5.431 -4.718 -20.193 1.00 42.83 H new ATOM 159 N GLU A 19 -3.822 -1.045 -25.002 1.00 33.55 N ANISOU 159 N GLU A 19 3731 5349 3666 327 171 -483 N ATOM 160 CA GLU A 19 -4.364 -0.249 -26.058 1.00 31.55 C ANISOU 160 CA GLU A 19 3502 5139 3346 255 220 -438 C ATOM 161 C GLU A 19 -5.819 -0.517 -26.195 1.00 30.02 C ANISOU 161 C GLU A 19 3389 4855 3162 270 196 -389 C ATOM 162 O GLU A 19 -6.256 -1.540 -25.871 1.00 32.69 O ANISOU 162 O GLU A 19 3745 5130 3544 336 156 -417 O ATOM 163 CB GLU A 19 -3.678 -0.511 -27.396 1.00 35.87 C ANISOU 163 CB GLU A 19 3981 5815 3834 243 267 -513 C ATOM 164 CG GLU A 19 -3.544 0.769 -28.234 1.00 35.94 C ANISOU 164 CG GLU A 19 3993 5903 3761 134 328 -459 C ATOM 165 CD GLU A 19 -2.204 1.518 -28.107 1.00 36.78 C ANISOU 165 CD GLU A 19 4022 6101 3852 77 373 -478 C ATOM 166 OE1 GLU A 19 -1.135 0.921 -27.984 1.00 37.87 O ANISOU 166 OE1 GLU A 19 4069 6302 4018 118 379 -570 O ATOM 167 OE2 GLU A 19 -2.202 2.744 -28.173 1.00 36.56 O ANISOU 167 OE2 GLU A 19 4019 6082 3788 -13 401 -402 O ATOM 0 H GLU A 19 -3.265 -1.653 -25.245 1.00 33.55 H new ATOM 0 HA GLU A 19 -4.210 0.679 -25.823 1.00 31.55 H new ATOM 0 HB2 GLU A 19 -2.798 -0.888 -27.239 1.00 35.87 H new ATOM 0 HB3 GLU A 19 -4.184 -1.171 -27.894 1.00 35.87 H new ATOM 0 HG2 GLU A 19 -3.680 0.540 -29.167 1.00 35.94 H new ATOM 0 HG3 GLU A 19 -4.259 1.375 -27.984 1.00 35.94 H new ATOM 168 N VAL A 20 -6.516 0.465 -26.685 1.00 22.58 N ANISOU 168 N VAL A 20 2490 3907 2183 202 219 -314 N ATOM 169 CA VAL A 20 -8.008 0.409 -26.793 1.00 19.24 C ANISOU 169 CA VAL A 20 2139 3392 1781 208 193 -256 C ATOM 170 C VAL A 20 -8.384 0.945 -28.185 1.00 24.85 C ANISOU 170 C VAL A 20 2861 4162 2419 150 213 -228 C ATOM 171 O VAL A 20 -8.089 2.140 -28.446 1.00 24.73 O ANISOU 171 O VAL A 20 2849 4184 2362 74 243 -173 O ATOM 172 CB VAL A 20 -8.702 1.235 -25.663 1.00 20.03 C ANISOU 172 CB VAL A 20 2294 3386 1932 185 187 -175 C ATOM 173 CG1 VAL A 20 -10.199 1.379 -25.884 1.00 19.92 C ANISOU 173 CG1 VAL A 20 2334 3287 1946 181 170 -117 C ATOM 174 CG2 VAL A 20 -8.496 0.587 -24.266 1.00 20.50 C ANISOU 174 CG2 VAL A 20 2362 3377 2051 239 161 -198 C ATOM 0 H VAL A 20 -6.170 1.197 -26.974 1.00 22.58 H new ATOM 0 HA VAL A 20 -8.316 -0.504 -26.684 1.00 19.24 H new ATOM 0 HB VAL A 20 -8.283 2.109 -25.694 1.00 20.03 H new ATOM 0 HG11 VAL A 20 -10.585 1.897 -25.160 1.00 19.92 H new ATOM 0 HG12 VAL A 20 -10.360 1.832 -26.727 1.00 19.92 H new ATOM 0 HG13 VAL A 20 -10.609 0.500 -25.906 1.00 19.92 H new ATOM 0 HG21 VAL A 20 -8.939 1.125 -23.591 1.00 20.50 H new ATOM 0 HG22 VAL A 20 -8.873 -0.307 -24.265 1.00 20.50 H new ATOM 0 HG23 VAL A 20 -7.548 0.538 -24.069 1.00 20.50 H new ATOM 175 N SER A 21 -9.112 0.114 -29.001 1.00 24.02 N ANISOU 175 N SER A 21 2772 4054 2301 181 187 -255 N ATOM 176 CA SER A 21 -9.515 0.366 -30.401 1.00 25.53 C ANISOU 176 CA SER A 21 2983 4304 2413 133 190 -239 C ATOM 177 C SER A 21 -11.089 0.585 -30.343 1.00 33.85 C ANISOU 177 C SER A 21 4099 5247 3515 133 141 -161 C ATOM 178 O SER A 21 -11.728 1.344 -31.134 1.00 32.11 O ANISOU 178 O SER A 21 3915 5028 3256 79 125 -94 O ATOM 179 CB SER A 21 -8.995 -0.787 -31.368 1.00 34.17 C ANISOU 179 CB SER A 21 4040 5490 3454 168 198 -349 C ATOM 180 OG SER A 21 -8.674 -2.236 -30.938 1.00 17.84 O ANISOU 180 OG SER A 21 1935 3401 1442 263 178 -452 O ATOM 0 H SER A 21 -9.391 -0.650 -28.721 1.00 24.02 H new ATOM 0 HA SER A 21 -9.108 1.155 -30.793 1.00 25.53 H new ATOM 0 HB2 SER A 21 -9.657 -0.860 -32.073 1.00 34.17 H new ATOM 0 HB3 SER A 21 -8.184 -0.445 -31.775 1.00 34.17 H new ATOM 181 N GLY A 22 -11.681 0.029 -29.296 1.00 29.05 N ANISOU 181 N GLY A 22 3502 4536 2999 190 116 -163 N ATOM 182 CA GLY A 22 -13.151 -0.203 -29.350 1.00 29.78 C ANISOU 182 CA GLY A 22 3633 4534 3148 205 71 -124 C ATOM 183 C GLY A 22 -13.637 -0.634 -27.991 1.00 27.48 C ANISOU 183 C GLY A 22 3353 4135 2953 250 64 -120 C ATOM 184 O GLY A 22 -12.836 -0.897 -27.092 1.00 26.38 O ANISOU 184 O GLY A 22 3199 3996 2829 275 82 -151 O ATOM 0 H GLY A 22 -11.288 -0.216 -28.571 1.00 29.05 H new ATOM 0 HA2 GLY A 22 -13.607 0.607 -29.626 1.00 29.78 H new ATOM 0 HA3 GLY A 22 -13.358 -0.883 -30.010 1.00 29.78 H new ATOM 185 N LEU A 23 -14.934 -0.894 -27.856 1.00 24.23 N ANISOU 185 N LEU A 23 2964 3633 2607 264 34 -92 N ATOM 186 CA LEU A 23 -15.481 -1.065 -26.503 1.00 20.09 C ANISOU 186 CA LEU A 23 2458 3006 2169 287 42 -75 C ATOM 187 C LEU A 23 -15.129 -2.491 -26.171 1.00 21.06 C ANISOU 187 C LEU A 23 2576 3120 2305 343 25 -145 C ATOM 188 O LEU A 23 -15.087 -2.887 -25.004 1.00 23.29 O ANISOU 188 O LEU A 23 2876 3341 2632 365 32 -148 O ATOM 189 CB LEU A 23 -17.025 -0.842 -26.513 1.00 21.84 C ANISOU 189 CB LEU A 23 2695 3138 2466 278 22 -25 C ATOM 190 CG LEU A 23 -17.550 0.554 -26.260 1.00 25.06 C ANISOU 190 CG LEU A 23 3110 3502 2907 236 40 48 C ATOM 191 CD1 LEU A 23 -19.063 0.650 -26.556 1.00 29.10 C ANISOU 191 CD1 LEU A 23 3619 3938 3500 235 7 83 C ATOM 192 CD2 LEU A 23 -17.467 0.855 -24.748 1.00 30.14 C ANISOU 192 CD2 LEU A 23 3771 4083 3600 238 87 57 C ATOM 0 H LEU A 23 -15.497 -0.974 -28.501 1.00 24.23 H new ATOM 0 HA LEU A 23 -15.129 -0.435 -25.855 1.00 20.09 H new ATOM 0 HB2 LEU A 23 -17.360 -1.132 -27.376 1.00 21.84 H new ATOM 0 HB3 LEU A 23 -17.413 -1.429 -25.846 1.00 21.84 H new ATOM 0 HG LEU A 23 -17.029 1.153 -26.818 1.00 25.06 H new ATOM 0 HD11 LEU A 23 -19.370 1.554 -26.385 1.00 29.10 H new ATOM 0 HD12 LEU A 23 -19.226 0.424 -27.485 1.00 29.10 H new ATOM 0 HD13 LEU A 23 -19.545 0.032 -25.984 1.00 29.10 H new ATOM 0 HD21 LEU A 23 -17.802 1.749 -24.577 1.00 30.14 H new ATOM 0 HD22 LEU A 23 -18.003 0.211 -24.260 1.00 30.14 H new ATOM 0 HD23 LEU A 23 -16.544 0.795 -24.456 1.00 30.14 H new ATOM 193 N GLU A 24 -14.805 -3.317 -27.203 1.00 20.70 N ANISOU 193 N GLU A 24 2511 3137 2216 367 0 -208 N ATOM 194 CA GLU A 24 -14.440 -4.701 -26.959 1.00 22.45 C ANISOU 194 CA GLU A 24 2727 3343 2459 426 -24 -281 C ATOM 195 C GLU A 24 -13.103 -4.809 -26.197 1.00 22.16 C ANISOU 195 C GLU A 24 2670 3339 2410 451 -7 -316 C ATOM 196 O GLU A 24 -12.764 -5.836 -25.613 1.00 26.88 O ANISOU 196 O GLU A 24 3271 3899 3044 503 -33 -361 O ATOM 197 CB GLU A 24 -14.261 -5.522 -28.263 1.00 44.97 C ANISOU 197 CB GLU A 24 5561 6261 5266 448 -49 -356 C ATOM 198 CG GLU A 24 -13.147 -5.063 -29.207 1.00 45.79 C ANISOU 198 CG GLU A 24 5628 6496 5274 426 -19 -395 C ATOM 199 CD GLU A 24 -13.617 -4.055 -30.271 1.00 50.79 C ANISOU 199 CD GLU A 24 6274 7182 5840 359 -13 -341 C ATOM 200 OE1 GLU A 24 -14.773 -3.595 -30.171 1.00 53.42 O ANISOU 200 OE1 GLU A 24 6638 7445 6216 336 -36 -270 O ATOM 201 OE2 GLU A 24 -12.839 -3.697 -31.209 1.00 54.27 O ANISOU 201 OE2 GLU A 24 6697 7736 6190 327 15 -368 O ATOM 0 H GLU A 24 -14.796 -3.081 -28.030 1.00 20.70 H new ATOM 0 HA GLU A 24 -15.177 -5.058 -26.440 1.00 22.45 H new ATOM 0 HB2 GLU A 24 -14.093 -6.446 -28.020 1.00 44.97 H new ATOM 0 HB3 GLU A 24 -15.099 -5.505 -28.751 1.00 44.97 H new ATOM 0 HG2 GLU A 24 -12.435 -4.662 -28.684 1.00 45.79 H new ATOM 0 HG3 GLU A 24 -12.770 -5.838 -29.651 1.00 45.79 H new ATOM 202 N ASP A 25 -12.326 -3.738 -26.289 1.00 25.45 N ANISOU 202 N ASP A 25 3065 3828 2777 411 30 -294 N ATOM 203 CA ASP A 25 -11.004 -3.734 -25.556 1.00 25.86 C ANISOU 203 CA ASP A 25 3087 3917 2822 429 41 -327 C ATOM 204 C ASP A 25 -11.079 -3.169 -24.119 1.00 23.77 C ANISOU 204 C ASP A 25 2857 3579 2595 413 49 -269 C ATOM 205 O ASP A 25 -10.104 -3.111 -23.380 1.00 24.36 O ANISOU 205 O ASP A 25 2915 3671 2668 423 47 -286 O ATOM 206 CB ASP A 25 -10.046 -2.814 -26.299 1.00 26.65 C ANISOU 206 CB ASP A 25 3141 4133 2850 383 81 -334 C ATOM 207 CG ASP A 25 -9.637 -3.371 -27.665 1.00 32.48 C ANISOU 207 CG ASP A 25 3841 4968 3533 394 87 -408 C ATOM 208 OD1 ASP A 25 -9.625 -4.606 -27.804 1.00 34.56 O ANISOU 208 OD1 ASP A 25 4094 5215 3823 457 56 -480 O ATOM 209 OD2 ASP A 25 -9.382 -2.552 -28.580 1.00 34.33 O ANISOU 209 OD2 ASP A 25 4061 5288 3694 335 122 -393 O ATOM 0 H ASP A 25 -12.507 -3.027 -26.738 1.00 25.45 H new ATOM 0 HA ASP A 25 -10.723 -4.661 -25.514 1.00 25.86 H new ATOM 0 HB2 ASP A 25 -10.463 -1.947 -26.419 1.00 26.65 H new ATOM 0 HB3 ASP A 25 -9.252 -2.675 -25.759 1.00 26.65 H new ATOM 210 N ILE A 26 -12.262 -2.725 -23.750 1.00 21.19 N ANISOU 210 N ILE A 26 2575 3173 2302 386 57 -206 N ATOM 211 CA ILE A 26 -12.524 -2.119 -22.435 1.00 20.23 C ANISOU 211 CA ILE A 26 2495 2981 2212 362 76 -155 C ATOM 212 C ILE A 26 -13.065 -3.207 -21.518 1.00 23.43 C ANISOU 212 C ILE A 26 2943 3294 2667 398 51 -162 C ATOM 213 O ILE A 26 -14.154 -3.777 -21.753 1.00 26.41 O ANISOU 213 O ILE A 26 3338 3614 3083 407 41 -155 O ATOM 214 CB ILE A 26 -13.454 -0.864 -22.512 1.00 19.54 C ANISOU 214 CB ILE A 26 2426 2860 2138 307 110 -87 C ATOM 215 CG1 ILE A 26 -12.771 0.191 -23.485 1.00 24.35 C ANISOU 215 CG1 ILE A 26 3000 3562 2688 264 128 -74 C ATOM 216 CG2 ILE A 26 -13.781 -0.349 -21.125 1.00 18.33 C ANISOU 216 CG2 ILE A 26 2317 2629 2020 286 137 -50 C ATOM 217 CD1 ILE A 26 -13.564 1.492 -23.554 1.00 24.39 C ANISOU 217 CD1 ILE A 26 3025 3527 2714 213 149 -4 C ATOM 0 H ILE A 26 -12.956 -2.762 -24.256 1.00 21.19 H new ATOM 0 HA ILE A 26 -11.696 -1.771 -22.070 1.00 20.23 H new ATOM 0 HB ILE A 26 -14.321 -1.080 -22.890 1.00 19.54 H new ATOM 0 HG12 ILE A 26 -11.870 0.377 -23.179 1.00 24.35 H new ATOM 0 HG13 ILE A 26 -12.696 -0.190 -24.374 1.00 24.35 H new ATOM 0 HG21 ILE A 26 -14.358 0.428 -21.196 1.00 18.33 H new ATOM 0 HG22 ILE A 26 -14.234 -1.043 -20.621 1.00 18.33 H new ATOM 0 HG23 ILE A 26 -12.961 -0.102 -20.670 1.00 18.33 H new ATOM 0 HD11 ILE A 26 -13.120 2.111 -24.155 1.00 24.39 H new ATOM 0 HD12 ILE A 26 -14.458 1.309 -23.882 1.00 24.39 H new ATOM 0 HD13 ILE A 26 -13.619 1.885 -22.669 1.00 24.39 H new ATOM 218 N GLU A 27 -12.332 -3.526 -20.479 1.00 19.33 N ANISOU 218 N GLU A 27 2442 2756 2146 415 35 -173 N ATOM 219 CA GLU A 27 -12.684 -4.594 -19.579 1.00 22.16 C ANISOU 219 CA GLU A 27 2851 3029 2540 443 4 -175 C ATOM 220 C GLU A 27 -13.670 -4.232 -18.459 1.00 25.63 C ANISOU 220 C GLU A 27 3356 3378 3002 402 39 -118 C ATOM 221 O GLU A 27 -14.390 -5.055 -17.991 1.00 29.16 O ANISOU 221 O GLU A 27 3847 3751 3483 409 29 -110 O ATOM 222 CB GLU A 27 -11.428 -5.176 -18.957 1.00 27.93 C ANISOU 222 CB GLU A 27 3578 3776 3258 482 -44 -210 C ATOM 223 CG GLU A 27 -10.485 -5.665 -19.964 1.00 32.49 C ANISOU 223 CG GLU A 27 4085 4435 3826 529 -72 -279 C ATOM 224 CD GLU A 27 -9.047 -5.781 -19.491 1.00 48.41 C ANISOU 224 CD GLU A 27 6066 6496 5832 558 -109 -316 C ATOM 225 OE1 GLU A 27 -8.702 -5.339 -18.416 1.00 41.97 O ANISOU 225 OE1 GLU A 27 5283 5657 5007 535 -117 -283 O ATOM 226 OE2 GLU A 27 -8.250 -6.318 -20.254 1.00 52.42 O ANISOU 226 OE2 GLU A 27 6508 7066 6344 604 -131 -385 O ATOM 0 H GLU A 27 -11.602 -3.121 -20.272 1.00 19.33 H new ATOM 0 HA GLU A 27 -13.150 -5.237 -20.136 1.00 22.16 H new ATOM 0 HB2 GLU A 27 -10.995 -4.499 -18.413 1.00 27.93 H new ATOM 0 HB3 GLU A 27 -11.671 -5.904 -18.364 1.00 27.93 H new ATOM 0 HG2 GLU A 27 -10.782 -6.536 -20.270 1.00 32.49 H new ATOM 0 HG3 GLU A 27 -10.513 -5.070 -20.730 1.00 32.49 H new ATOM 227 N TYR A 28 -13.688 -2.992 -18.050 1.00 19.26 N ANISOU 227 N TYR A 28 2557 2580 2179 355 85 -84 N ATOM 228 CA TYR A 28 -14.568 -2.567 -16.937 1.00 19.00 C ANISOU 228 CA TYR A 28 2585 2468 2167 313 131 -43 C ATOM 229 C TYR A 28 -15.353 -1.433 -17.373 1.00 19.70 C ANISOU 229 C TYR A 28 2651 2553 2280 277 181 -16 C ATOM 230 O TYR A 28 -14.794 -0.401 -17.828 1.00 18.42 O ANISOU 230 O TYR A 28 2458 2448 2093 259 192 -10 O ATOM 231 CB TYR A 28 -13.669 -2.059 -15.792 1.00 21.08 C ANISOU 231 CB TYR A 28 2886 2736 2386 290 133 -36 C ATOM 232 CG TYR A 28 -12.894 -3.210 -15.249 1.00 21.51 C ANISOU 232 CG TYR A 28 2968 2782 2423 329 67 -57 C ATOM 233 CD1 TYR A 28 -13.426 -4.078 -14.326 1.00 25.36 C ANISOU 233 CD1 TYR A 28 3529 3188 2919 326 56 -40 C ATOM 234 CD2 TYR A 28 -11.599 -3.456 -15.747 1.00 21.57 C ANISOU 234 CD2 TYR A 28 2921 2863 2411 369 14 -97 C ATOM 235 CE1 TYR A 28 -12.649 -5.175 -13.827 1.00 28.32 C ANISOU 235 CE1 TYR A 28 3935 3544 3281 365 -23 -54 C ATOM 236 CE2 TYR A 28 -10.854 -4.564 -15.316 1.00 26.13 C ANISOU 236 CE2 TYR A 28 3513 3426 2989 416 -60 -121 C ATOM 237 CZ TYR A 28 -11.390 -5.398 -14.315 1.00 30.82 C ANISOU 237 CZ TYR A 28 4193 3928 3590 414 -83 -95 C ATOM 238 OH TYR A 28 -10.649 -6.494 -13.859 1.00 39.53 O ANISOU 238 OH TYR A 28 5319 5004 4698 461 -170 -111 O ATOM 0 H TYR A 28 -13.207 -2.364 -18.388 1.00 19.26 H new ATOM 0 HA TYR A 28 -15.134 -3.304 -16.660 1.00 19.00 H new ATOM 0 HB2 TYR A 28 -13.067 -1.371 -16.117 1.00 21.08 H new ATOM 0 HB3 TYR A 28 -14.209 -1.657 -15.093 1.00 21.08 H new ATOM 0 HD1 TYR A 28 -14.296 -3.953 -14.023 1.00 25.36 H new ATOM 0 HD2 TYR A 28 -11.232 -2.874 -16.372 1.00 21.57 H new ATOM 0 HE1 TYR A 28 -13.000 -5.734 -13.172 1.00 28.32 H new ATOM 0 HE2 TYR A 28 -10.020 -4.745 -15.685 1.00 26.13 H new ATOM 0 HH TYR A 28 -10.349 -6.922 -14.516 1.00 39.53 H new ATOM 239 N LYS A 29 -16.720 -1.515 -17.277 1.00 15.76 N ANISOU 239 N LYS A 29 2164 1984 1838 263 214 3 N ATOM 240 CA LYS A 29 -17.550 -0.386 -17.714 1.00 16.63 C ANISOU 240 CA LYS A 29 2246 2082 1990 236 253 28 C ATOM 241 C LYS A 29 -18.607 -0.099 -16.657 1.00 21.49 C ANISOU 241 C LYS A 29 2897 2613 2656 204 316 43 C ATOM 242 O LYS A 29 -19.396 -0.970 -16.355 1.00 23.07 O ANISOU 242 O LYS A 29 3113 2761 2893 207 324 39 O ATOM 243 CB LYS A 29 -18.370 -0.842 -18.972 1.00 22.03 C ANISOU 243 CB LYS A 29 2884 2768 2717 257 223 26 C ATOM 244 CG LYS A 29 -17.392 -1.207 -20.121 1.00 27.59 C ANISOU 244 CG LYS A 29 3555 3562 3365 286 169 1 C ATOM 245 CD LYS A 29 -18.179 -1.534 -21.371 1.00 31.93 C ANISOU 245 CD LYS A 29 4069 4120 3944 298 136 -2 C ATOM 246 CE LYS A 29 -17.198 -1.915 -22.457 1.00 33.07 C ANISOU 246 CE LYS A 29 4187 4358 4022 321 95 -37 C ATOM 247 NZ LYS A 29 -16.982 -3.414 -22.613 1.00 34.72 N ANISOU 247 NZ LYS A 29 4399 4566 4229 366 55 -90 N ATOM 0 H LYS A 29 -17.152 -2.193 -16.973 1.00 15.76 H new ATOM 0 HA LYS A 29 -16.978 0.379 -17.881 1.00 16.63 H new ATOM 0 HB2 LYS A 29 -18.923 -1.607 -18.750 1.00 22.03 H new ATOM 0 HB3 LYS A 29 -18.967 -0.132 -19.256 1.00 22.03 H new ATOM 0 HG2 LYS A 29 -16.788 -0.467 -20.292 1.00 27.59 H new ATOM 0 HG3 LYS A 29 -16.845 -1.966 -19.864 1.00 27.59 H new ATOM 0 HD2 LYS A 29 -18.797 -2.263 -21.202 1.00 31.93 H new ATOM 0 HD3 LYS A 29 -18.710 -0.770 -21.647 1.00 31.93 H new ATOM 0 HE2 LYS A 29 -17.511 -1.555 -23.301 1.00 33.07 H new ATOM 0 HE3 LYS A 29 -16.345 -1.494 -22.269 1.00 33.07 H new ATOM 0 HZ1 LYS A 29 -16.150 -3.621 -22.375 1.00 34.72 H new ATOM 0 HZ2 LYS A 29 -17.556 -3.853 -22.093 1.00 34.72 H new ATOM 0 HZ3 LYS A 29 -17.114 -3.646 -23.462 1.00 34.72 H new ATOM 248 N LYS A 30 -18.636 1.120 -16.190 1.00 17.87 N ANISOU 248 N LYS A 30 2446 2142 2203 172 363 56 N ATOM 249 CA LYS A 30 -19.742 1.535 -15.310 1.00 20.93 C ANISOU 249 CA LYS A 30 2854 2452 2648 142 435 59 C ATOM 250 C LYS A 30 -20.439 2.669 -16.010 1.00 22.48 C ANISOU 250 C LYS A 30 2997 2631 2914 137 451 74 C ATOM 251 O LYS A 30 -19.891 3.736 -16.173 1.00 24.22 O ANISOU 251 O LYS A 30 3213 2874 3117 125 450 85 O ATOM 252 CB LYS A 30 -19.145 1.961 -13.998 1.00 23.00 C ANISOU 252 CB LYS A 30 3181 2703 2855 108 475 51 C ATOM 253 CG LYS A 30 -20.287 2.173 -12.958 1.00 34.11 C ANISOU 253 CG LYS A 30 4618 4032 4309 72 564 42 C ATOM 254 CD LYS A 30 -19.670 2.496 -11.636 1.00 37.82 C ANISOU 254 CD LYS A 30 5168 4496 4707 33 599 31 C ATOM 255 CE LYS A 30 -20.743 2.452 -10.551 1.00 42.03 C ANISOU 255 CE LYS A 30 5741 4961 5266 -8 694 14 C ATOM 256 NZ LYS A 30 -20.104 2.993 -9.305 1.00 44.64 N ANISOU 256 NZ LYS A 30 6155 5291 5516 -53 729 -1 N ATOM 0 H LYS A 30 -18.048 1.726 -16.354 1.00 17.87 H new ATOM 0 HA LYS A 30 -20.382 0.828 -15.132 1.00 20.93 H new ATOM 0 HB2 LYS A 30 -18.524 1.287 -13.679 1.00 23.00 H new ATOM 0 HB3 LYS A 30 -18.640 2.781 -14.112 1.00 23.00 H new ATOM 0 HG2 LYS A 30 -20.872 2.893 -13.242 1.00 34.11 H new ATOM 0 HG3 LYS A 30 -20.833 1.374 -12.889 1.00 34.11 H new ATOM 0 HD2 LYS A 30 -18.965 1.862 -11.433 1.00 37.82 H new ATOM 0 HD3 LYS A 30 -19.261 3.375 -11.665 1.00 37.82 H new ATOM 0 HE2 LYS A 30 -21.513 2.985 -10.804 1.00 42.03 H new ATOM 0 HE3 LYS A 30 -21.058 1.545 -10.413 1.00 42.03 H new ATOM 0 HZ1 LYS A 30 -20.736 3.285 -8.750 1.00 44.64 H new ATOM 0 HZ2 LYS A 30 -19.635 2.349 -8.908 1.00 44.64 H new ATOM 0 HZ3 LYS A 30 -19.562 3.666 -9.517 1.00 44.64 H new ATOM 257 N LEU A 31 -21.712 2.506 -16.377 1.00 23.13 N ANISOU 257 N LEU A 31 3038 2664 3085 145 463 77 N ATOM 258 CA LEU A 31 -22.390 3.512 -17.070 1.00 20.97 C ANISOU 258 CA LEU A 31 2713 2368 2888 147 460 94 C ATOM 259 C LEU A 31 -23.221 4.347 -16.036 1.00 27.92 C ANISOU 259 C LEU A 31 3595 3170 3841 123 548 78 C ATOM 260 O LEU A 31 -23.555 3.842 -14.908 1.00 30.39 O ANISOU 260 O LEU A 31 3946 3450 4151 101 614 52 O ATOM 261 CB LEU A 31 -23.286 2.784 -18.090 1.00 22.42 C ANISOU 261 CB LEU A 31 2844 2544 3132 172 412 100 C ATOM 262 CG LEU A 31 -22.567 1.986 -19.171 1.00 28.16 C ANISOU 262 CG LEU A 31 3565 3344 3789 196 332 104 C ATOM 263 CD1 LEU A 31 -23.714 1.727 -20.206 1.00 30.97 C ANISOU 263 CD1 LEU A 31 3864 3677 4227 212 286 113 C ATOM 264 CD2 LEU A 31 -21.471 2.782 -19.823 1.00 27.17 C ANISOU 264 CD2 LEU A 31 3444 3287 3593 192 299 123 C ATOM 0 H LEU A 31 -22.177 1.801 -16.217 1.00 23.13 H new ATOM 0 HA LEU A 31 -21.803 4.130 -17.532 1.00 20.97 H new ATOM 0 HB2 LEU A 31 -23.872 2.181 -17.605 1.00 22.42 H new ATOM 0 HB3 LEU A 31 -23.852 3.442 -18.523 1.00 22.42 H new ATOM 0 HG LEU A 31 -22.140 1.187 -18.825 1.00 28.16 H new ATOM 0 HD11 LEU A 31 -23.366 1.216 -20.954 1.00 30.97 H new ATOM 0 HD12 LEU A 31 -24.429 1.229 -19.779 1.00 30.97 H new ATOM 0 HD13 LEU A 31 -24.058 2.575 -20.527 1.00 30.97 H new ATOM 0 HD21 LEU A 31 -21.039 2.242 -20.503 1.00 27.17 H new ATOM 0 HD22 LEU A 31 -21.848 3.576 -20.233 1.00 27.17 H new ATOM 0 HD23 LEU A 31 -20.818 3.042 -19.154 1.00 27.17 H new ATOM 265 N PHE A 32 -23.500 5.621 -16.310 1.00 23.11 N ANISOU 265 N PHE A 32 2957 2532 3292 121 554 89 N ATOM 266 CA PHE A 32 -24.196 6.385 -15.323 1.00 26.23 C ANISOU 266 CA PHE A 32 3353 2856 3757 102 640 61 C ATOM 267 C PHE A 32 -25.569 6.726 -15.868 1.00 27.61 C ANISOU 267 C PHE A 32 3448 2968 4075 124 639 61 C ATOM 268 O PHE A 32 -25.772 6.872 -17.071 1.00 27.36 O ANISOU 268 O PHE A 32 3370 2946 4081 149 559 96 O ATOM 269 CB PHE A 32 -23.442 7.697 -15.060 1.00 25.28 C ANISOU 269 CB PHE A 32 3262 2733 3610 84 650 64 C ATOM 270 CG PHE A 32 -21.989 7.527 -14.699 1.00 27.14 C ANISOU 270 CG PHE A 32 3562 3036 3712 63 631 68 C ATOM 271 CD1 PHE A 32 -21.577 6.526 -13.792 1.00 26.89 C ANISOU 271 CD1 PHE A 32 3586 3028 3601 49 656 46 C ATOM 272 CD2 PHE A 32 -21.056 8.451 -15.175 1.00 29.96 C ANISOU 272 CD2 PHE A 32 3926 3427 4031 52 591 93 C ATOM 273 CE1 PHE A 32 -20.186 6.370 -13.456 1.00 27.28 C ANISOU 273 CE1 PHE A 32 3688 3140 3537 35 625 48 C ATOM 274 CE2 PHE A 32 -19.657 8.358 -14.815 1.00 26.75 C ANISOU 274 CE2 PHE A 32 3567 3085 3511 30 573 90 C ATOM 275 CZ PHE A 32 -19.270 7.290 -13.950 1.00 25.69 C ANISOU 275 CZ PHE A 32 3480 2976 3306 26 587 66 C ATOM 0 H PHE A 32 -23.298 6.035 -17.036 1.00 23.11 H new ATOM 0 HA PHE A 32 -24.264 5.875 -14.500 1.00 26.23 H new ATOM 0 HB2 PHE A 32 -23.503 8.255 -15.851 1.00 25.28 H new ATOM 0 HB3 PHE A 32 -23.887 8.173 -14.342 1.00 25.28 H new ATOM 0 HD1 PHE A 32 -22.210 5.963 -13.408 1.00 26.89 H new ATOM 0 HD2 PHE A 32 -21.339 9.139 -15.734 1.00 29.96 H new ATOM 0 HE1 PHE A 32 -19.905 5.666 -12.918 1.00 27.28 H new ATOM 0 HE2 PHE A 32 -19.034 8.970 -15.135 1.00 26.75 H new ATOM 0 HZ PHE A 32 -18.375 7.208 -13.709 1.00 25.69 H new ATOM 276 N ASN A 33 -26.579 6.684 -15.008 1.00 27.56 N ANISOU 276 N ASN A 33 3421 2899 4150 113 726 19 N ATOM 277 CA ASN A 33 -27.833 7.143 -15.530 1.00 23.60 C ANISOU 277 CA ASN A 33 2830 2336 3802 138 720 15 C ATOM 278 C ASN A 33 -27.853 8.616 -15.603 1.00 23.99 C ANISOU 278 C ASN A 33 2861 2337 3915 148 720 17 C ATOM 279 O ASN A 33 -27.259 9.281 -14.774 1.00 26.81 O ANISOU 279 O ASN A 33 3273 2687 4226 125 775 -5 O ATOM 280 CB ASN A 33 -28.972 6.540 -14.663 1.00 29.17 C ANISOU 280 CB ASN A 33 3502 2994 4586 122 818 -36 C ATOM 281 CG ASN A 33 -28.798 4.989 -14.600 1.00 44.37 C ANISOU 281 CG ASN A 33 5463 4964 6431 105 806 -28 C ATOM 282 OD1 ASN A 33 -28.466 4.315 -15.628 1.00 47.76 O ANISOU 282 OD1 ASN A 33 5885 5438 6823 127 707 8 O ATOM 283 ND2 ASN A 33 -28.797 4.475 -13.405 1.00 45.89 N ANISOU 283 ND2 ASN A 33 5711 5151 6573 64 897 -60 N ATOM 0 H ASN A 33 -26.560 6.417 -14.191 1.00 27.56 H new ATOM 0 HA ASN A 33 -27.966 6.840 -16.442 1.00 23.60 H new ATOM 0 HB2 ASN A 33 -28.948 6.916 -13.769 1.00 29.17 H new ATOM 0 HB3 ASN A 33 -29.836 6.765 -15.042 1.00 29.17 H new ATOM 0 HD21 ASN A 33 -28.567 3.654 -13.290 1.00 45.89 H new ATOM 0 HD22 ASN A 33 -29.026 4.956 -12.730 1.00 45.89 H new ATOM 284 N GLU A 34 -28.570 9.161 -16.548 1.00 29.15 N ANISOU 284 N GLU A 34 3442 2950 4683 181 655 42 N ATOM 285 CA GLU A 34 -28.404 10.544 -16.874 1.00 35.38 C ANISOU 285 CA GLU A 34 4226 3695 5523 192 621 63 C ATOM 286 C GLU A 34 -28.705 11.501 -15.744 1.00 36.93 C ANISOU 286 C GLU A 34 4425 3818 5790 184 723 4 C ATOM 287 O GLU A 34 -28.097 12.517 -15.673 1.00 38.34 O ANISOU 287 O GLU A 34 4640 3977 5951 176 713 14 O ATOM 288 CB GLU A 34 -29.141 10.936 -18.136 1.00 41.61 C ANISOU 288 CB GLU A 34 4941 4447 6421 229 516 110 C ATOM 289 CG GLU A 34 -29.135 9.965 -19.233 1.00 46.19 C ANISOU 289 CG GLU A 34 5509 5089 6953 238 423 153 C ATOM 290 CD GLU A 34 -28.639 10.526 -20.534 1.00 52.23 C ANISOU 290 CD GLU A 34 6288 5879 7678 242 302 228 C ATOM 291 OE1 GLU A 34 -27.502 10.995 -20.514 1.00 53.16 O ANISOU 291 OE1 GLU A 34 6472 6037 7688 216 300 252 O ATOM 292 OE2 GLU A 34 -29.319 10.492 -21.570 1.00 53.73 O ANISOU 292 OE2 GLU A 34 6430 6053 7934 265 207 265 O ATOM 0 H GLU A 34 -29.161 8.745 -17.015 1.00 29.15 H new ATOM 0 HA GLU A 34 -27.453 10.632 -17.042 1.00 35.38 H new ATOM 0 HB2 GLU A 34 -30.064 11.122 -17.902 1.00 41.61 H new ATOM 0 HB3 GLU A 34 -28.759 11.765 -18.464 1.00 41.61 H new ATOM 0 HG2 GLU A 34 -28.580 9.210 -18.983 1.00 46.19 H new ATOM 0 HG3 GLU A 34 -30.035 9.626 -19.359 1.00 46.19 H new ATOM 293 N GLU A 35 -29.615 11.175 -14.858 1.00 34.55 N ANISOU 293 N GLU A 35 4087 3477 5562 181 824 -62 N ATOM 294 CA GLU A 35 -29.973 12.119 -13.797 1.00 35.51 C ANISOU 294 CA GLU A 35 4207 3527 5757 173 930 -132 C ATOM 295 C GLU A 35 -28.837 12.293 -12.762 1.00 33.90 C ANISOU 295 C GLU A 35 4115 3361 5403 125 994 -155 C ATOM 296 O GLU A 35 -28.739 13.326 -12.084 1.00 33.32 O ANISOU 296 O GLU A 35 4065 3236 5359 115 1051 -200 O ATOM 297 CB GLU A 35 -31.274 11.628 -13.125 1.00 39.26 C ANISOU 297 CB GLU A 35 4610 3961 6345 173 1035 -203 C ATOM 0 H GLU A 35 -30.039 10.427 -14.841 1.00 34.55 H new ATOM 0 HA GLU A 35 -30.114 12.995 -14.189 1.00 35.51 H new ATOM 298 N GLU A 36 -27.936 11.307 -12.660 1.00 30.15 N ANISOU 298 N GLU A 36 3712 2973 4772 96 975 -126 N ATOM 299 CA GLU A 36 -26.800 11.424 -11.726 1.00 29.08 C ANISOU 299 CA GLU A 36 3681 2877 4493 51 1015 -143 C ATOM 300 C GLU A 36 -25.552 11.955 -12.364 1.00 26.99 C ANISOU 300 C GLU A 36 3457 2654 4145 48 923 -88 C ATOM 301 O GLU A 36 -24.548 12.110 -11.655 1.00 28.35 O ANISOU 301 O GLU A 36 3707 2860 4205 11 942 -100 O ATOM 302 CB GLU A 36 -26.421 10.058 -11.176 1.00 30.44 C ANISOU 302 CB GLU A 36 3910 3114 4540 21 1038 -141 C ATOM 0 H GLU A 36 -27.960 10.576 -13.112 1.00 30.15 H new ATOM 0 HA GLU A 36 -27.107 12.037 -11.040 1.00 29.08 H new ATOM 303 N ILE A 37 -25.567 12.180 -13.667 1.00 23.69 N ANISOU 303 N ILE A 37 2989 2240 3771 79 823 -28 N ATOM 304 CA ILE A 37 -24.302 12.586 -14.361 1.00 22.31 C ANISOU 304 CA ILE A 37 2853 2121 3501 65 739 29 C ATOM 305 C ILE A 37 -23.595 13.801 -13.749 1.00 24.52 C ANISOU 305 C ILE A 37 3185 2371 3761 34 765 11 C ATOM 306 O ILE A 37 -22.377 13.758 -13.448 1.00 27.87 O ANISOU 306 O ILE A 37 3670 2857 4062 -2 754 18 O ATOM 307 CB ILE A 37 -24.505 12.652 -15.884 1.00 25.19 C ANISOU 307 CB ILE A 37 3166 2497 3909 94 632 97 C ATOM 308 CG1 ILE A 37 -24.550 11.207 -16.474 1.00 24.20 C ANISOU 308 CG1 ILE A 37 3024 2444 3727 109 592 116 C ATOM 309 CG2 ILE A 37 -23.411 13.393 -16.483 1.00 28.08 C ANISOU 309 CG2 ILE A 37 3568 2897 4206 70 569 147 C ATOM 310 CD1 ILE A 37 -24.798 11.147 -18.001 1.00 27.97 C ANISOU 310 CD1 ILE A 37 3456 2940 4231 133 485 178 C ATOM 0 H ILE A 37 -26.260 12.113 -14.172 1.00 23.69 H new ATOM 0 HA ILE A 37 -23.657 11.879 -14.201 1.00 22.31 H new ATOM 0 HB ILE A 37 -25.343 13.099 -16.079 1.00 25.19 H new ATOM 0 HG12 ILE A 37 -23.711 10.762 -16.276 1.00 24.20 H new ATOM 0 HG13 ILE A 37 -25.249 10.707 -16.024 1.00 24.20 H new ATOM 0 HG21 ILE A 37 -23.537 13.436 -17.444 1.00 28.08 H new ATOM 0 HG22 ILE A 37 -23.391 14.292 -16.119 1.00 28.08 H new ATOM 0 HG23 ILE A 37 -22.572 12.947 -16.287 1.00 28.08 H new ATOM 0 HD11 ILE A 37 -24.812 10.221 -18.291 1.00 27.97 H new ATOM 0 HD12 ILE A 37 -25.650 11.563 -18.207 1.00 27.97 H new ATOM 0 HD13 ILE A 37 -24.088 11.619 -18.463 1.00 27.97 H new ATOM 311 N PRO A 38 -24.320 14.905 -13.528 1.00 23.73 N ANISOU 311 N PRO A 38 3058 2172 3787 46 797 -18 N ATOM 312 CA PRO A 38 -23.619 16.072 -12.977 1.00 25.81 C ANISOU 312 CA PRO A 38 3375 2401 4032 13 816 -38 C ATOM 313 C PRO A 38 -23.055 15.835 -11.571 1.00 27.77 C ANISOU 313 C PRO A 38 3698 2676 4177 -30 903 -103 C ATOM 314 O PRO A 38 -21.958 16.305 -11.251 1.00 28.34 O ANISOU 314 O PRO A 38 3831 2776 4162 -71 888 -100 O ATOM 315 CB PRO A 38 -24.748 17.133 -12.905 1.00 28.86 C ANISOU 315 CB PRO A 38 3708 2661 4596 45 845 -75 C ATOM 316 CG PRO A 38 -25.633 16.816 -14.050 1.00 29.81 C ANISOU 316 CG PRO A 38 3747 2765 4816 94 774 -25 C ATOM 317 CD PRO A 38 -25.691 15.265 -13.988 1.00 24.66 C ANISOU 317 CD PRO A 38 3089 2202 4077 93 792 -25 C ATOM 0 HA PRO A 38 -22.851 16.315 -13.517 1.00 25.81 H new ATOM 0 HB2 PRO A 38 -25.228 17.081 -12.064 1.00 28.86 H new ATOM 0 HB3 PRO A 38 -24.392 18.033 -12.973 1.00 28.86 H new ATOM 0 HG2 PRO A 38 -26.511 17.217 -13.953 1.00 29.81 H new ATOM 0 HG3 PRO A 38 -25.268 17.133 -14.891 1.00 29.81 H new ATOM 0 HD2 PRO A 38 -26.372 14.954 -13.371 1.00 24.66 H new ATOM 0 HD3 PRO A 38 -25.894 14.877 -14.853 1.00 24.66 H new ATOM 318 N ASP A 39 -23.822 15.135 -10.729 1.00 25.27 N ANISOU 318 N ASP A 39 3380 2350 3873 -28 991 -161 N ATOM 319 CA ASP A 39 -23.404 14.781 -9.367 1.00 28.73 C ANISOU 319 CA ASP A 39 3899 2815 4202 -75 1073 -218 C ATOM 320 C ASP A 39 -22.110 14.018 -9.439 1.00 29.12 C ANISOU 320 C ASP A 39 4006 2965 4095 -100 1009 -173 C ATOM 321 O ASP A 39 -21.189 14.262 -8.685 1.00 29.81 O ANISOU 321 O ASP A 39 4166 3077 4083 -143 1017 -193 O ATOM 322 CB ASP A 39 -24.424 13.818 -8.755 1.00 32.92 C ANISOU 322 CB ASP A 39 4414 3340 4754 -72 1159 -261 C ATOM 323 CG ASP A 39 -25.621 14.523 -8.125 1.00 40.59 C ANISOU 323 CG ASP A 39 5345 4219 5857 -65 1268 -343 C ATOM 324 OD1 ASP A 39 -25.698 15.775 -8.102 1.00 43.23 O ANISOU 324 OD1 ASP A 39 5667 4483 6273 -55 1276 -373 O ATOM 325 OD2 ASP A 39 -26.473 13.774 -7.635 1.00 40.31 O ANISOU 325 OD2 ASP A 39 5291 4181 5842 -71 1348 -379 O ATOM 0 H ASP A 39 -24.607 14.850 -10.934 1.00 25.27 H new ATOM 0 HA ASP A 39 -23.322 15.594 -8.844 1.00 28.73 H new ATOM 0 HB2 ASP A 39 -24.740 13.212 -9.443 1.00 32.92 H new ATOM 0 HB3 ASP A 39 -23.984 13.277 -8.081 1.00 32.92 H new ATOM 326 N ILE A 40 -22.014 13.086 -10.387 1.00 26.79 N ANISOU 326 N ILE A 40 3672 2726 3779 -73 938 -115 N ATOM 327 CA ILE A 40 -20.767 12.264 -10.461 1.00 25.60 C ANISOU 327 CA ILE A 40 3566 2672 3488 -89 877 -80 C ATOM 328 C ILE A 40 -19.642 13.064 -11.054 1.00 26.42 C ANISOU 328 C ILE A 40 3675 2809 3556 -105 807 -44 C ATOM 329 O ILE A 40 -18.452 12.902 -10.615 1.00 28.68 O ANISOU 329 O ILE A 40 4013 3155 3731 -136 782 -45 O ATOM 330 CB ILE A 40 -21.026 10.943 -11.231 1.00 29.38 C ANISOU 330 CB ILE A 40 4006 3200 3958 -55 831 -43 C ATOM 331 CG1 ILE A 40 -22.089 10.086 -10.560 1.00 28.42 C ANISOU 331 CG1 ILE A 40 3884 3046 3867 -53 903 -77 C ATOM 332 CG2 ILE A 40 -19.670 10.125 -11.544 1.00 33.70 C ANISOU 332 CG2 ILE A 40 4580 3844 4379 -59 753 -9 C ATOM 333 CD1 ILE A 40 -22.497 8.988 -11.550 1.00 29.04 C ANISOU 333 CD1 ILE A 40 3910 3155 3970 -15 848 -39 C ATOM 0 H ILE A 40 -22.616 12.908 -10.975 1.00 26.79 H new ATOM 0 HA ILE A 40 -20.498 12.018 -9.562 1.00 25.60 H new ATOM 0 HB ILE A 40 -21.385 11.197 -12.096 1.00 29.38 H new ATOM 0 HG12 ILE A 40 -21.744 9.695 -9.742 1.00 28.42 H new ATOM 0 HG13 ILE A 40 -22.857 10.626 -10.315 1.00 28.42 H new ATOM 0 HG21 ILE A 40 -19.887 9.311 -12.025 1.00 33.70 H new ATOM 0 HG22 ILE A 40 -19.079 10.672 -12.085 1.00 33.70 H new ATOM 0 HG23 ILE A 40 -19.228 9.900 -10.710 1.00 33.70 H new ATOM 0 HD11 ILE A 40 -23.176 8.425 -11.147 1.00 29.04 H new ATOM 0 HD12 ILE A 40 -22.851 9.394 -12.356 1.00 29.04 H new ATOM 0 HD13 ILE A 40 -21.722 8.449 -11.774 1.00 29.04 H new ATOM 334 N MET A 41 -19.919 13.926 -12.039 1.00 24.28 N ANISOU 334 N MET A 41 3354 2501 3370 -88 768 -10 N ATOM 335 CA MET A 41 -18.865 14.888 -12.508 1.00 25.75 C ANISOU 335 CA MET A 41 3553 2707 3525 -119 713 24 C ATOM 336 C MET A 41 -18.336 15.711 -11.355 1.00 29.25 C ANISOU 336 C MET A 41 4058 3117 3937 -165 759 -27 C ATOM 337 O MET A 41 -17.105 15.933 -11.228 1.00 30.29 O ANISOU 337 O MET A 41 4223 3303 3982 -205 725 -18 O ATOM 338 CB MET A 41 -19.377 15.832 -13.607 1.00 26.87 C ANISOU 338 CB MET A 41 3647 2791 3771 -103 668 71 C ATOM 339 CG MET A 41 -19.702 15.065 -14.942 1.00 29.93 C ANISOU 339 CG MET A 41 3979 3226 4167 -67 601 130 C ATOM 340 SD MET A 41 -20.723 16.148 -15.989 1.00 34.92 S ANISOU 340 SD MET A 41 4561 3760 4947 -41 552 178 S ATOM 341 CE MET A 41 -19.535 17.254 -16.739 1.00 43.98 C ANISOU 341 CE MET A 41 5739 4928 6042 -96 486 243 C ATOM 0 H MET A 41 -20.675 13.983 -12.445 1.00 24.28 H new ATOM 0 HA MET A 41 -18.151 14.348 -12.882 1.00 25.75 H new ATOM 0 HB2 MET A 41 -20.174 16.287 -13.295 1.00 26.87 H new ATOM 0 HB3 MET A 41 -18.710 16.515 -13.782 1.00 26.87 H new ATOM 0 HG2 MET A 41 -18.882 14.825 -15.402 1.00 29.93 H new ATOM 0 HG3 MET A 41 -20.172 14.238 -14.751 1.00 29.93 H new ATOM 0 HE1 MET A 41 -19.831 18.171 -16.627 1.00 43.98 H new ATOM 0 HE2 MET A 41 -18.671 17.139 -16.312 1.00 43.98 H new ATOM 0 HE3 MET A 41 -19.457 17.053 -17.685 1.00 43.98 H new ATOM 342 N PHE A 42 -19.217 16.112 -10.445 1.00 24.40 N ANISOU 342 N PHE A 42 3462 2422 3388 -163 841 -89 N ATOM 343 CA PHE A 42 -18.748 16.997 -9.360 1.00 25.11 C ANISOU 343 CA PHE A 42 3617 2474 3449 -210 885 -145 C ATOM 344 C PHE A 42 -17.928 16.192 -8.328 1.00 25.83 C ANISOU 344 C PHE A 42 3781 2638 3397 -247 900 -173 C ATOM 345 O PHE A 42 -16.929 16.666 -7.805 1.00 29.74 O ANISOU 345 O PHE A 42 4327 3153 3820 -293 881 -189 O ATOM 346 CB PHE A 42 -19.941 17.638 -8.707 1.00 27.31 C ANISOU 346 CB PHE A 42 3891 2647 3838 -197 975 -214 C ATOM 347 CG PHE A 42 -19.606 18.514 -7.556 1.00 29.75 C ANISOU 347 CG PHE A 42 4271 2912 4122 -244 1032 -287 C ATOM 348 CD1 PHE A 42 -19.895 18.072 -6.277 1.00 33.82 C ANISOU 348 CD1 PHE A 42 4844 3429 4577 -268 1122 -360 C ATOM 349 CD2 PHE A 42 -19.090 19.779 -7.730 1.00 30.99 C ANISOU 349 CD2 PHE A 42 4441 3017 4316 -268 999 -285 C ATOM 350 CE1 PHE A 42 -19.611 18.895 -5.172 1.00 37.96 C ANISOU 350 CE1 PHE A 42 5442 3912 5067 -317 1178 -437 C ATOM 351 CE2 PHE A 42 -18.818 20.610 -6.638 1.00 33.40 C ANISOU 351 CE2 PHE A 42 4815 3275 4602 -313 1052 -362 C ATOM 352 CZ PHE A 42 -19.088 20.172 -5.367 1.00 35.45 C ANISOU 352 CZ PHE A 42 5133 3541 4794 -336 1142 -442 C ATOM 0 H PHE A 42 -20.051 15.902 -10.427 1.00 24.40 H new ATOM 0 HA PHE A 42 -18.172 17.687 -9.725 1.00 25.11 H new ATOM 0 HB2 PHE A 42 -20.418 18.161 -9.370 1.00 27.31 H new ATOM 0 HB3 PHE A 42 -20.545 16.942 -8.406 1.00 27.31 H new ATOM 0 HD1 PHE A 42 -20.276 17.233 -6.148 1.00 33.82 H new ATOM 0 HD2 PHE A 42 -18.919 20.087 -8.591 1.00 30.99 H new ATOM 0 HE1 PHE A 42 -19.773 18.586 -4.310 1.00 37.96 H new ATOM 0 HE2 PHE A 42 -18.456 21.456 -6.773 1.00 33.40 H new ATOM 0 HZ PHE A 42 -18.923 20.725 -4.638 1.00 35.45 H new ATOM 353 N LYS A 43 -18.357 14.990 -8.032 1.00 26.72 N ANISOU 353 N LYS A 43 3897 2782 3472 -229 925 -178 N ATOM 354 CA LYS A 43 -17.613 14.107 -7.094 1.00 29.32 C ANISOU 354 CA LYS A 43 4300 3175 3666 -261 922 -193 C ATOM 355 C LYS A 43 -16.205 13.725 -7.654 1.00 33.37 C ANISOU 355 C LYS A 43 4806 3779 4093 -266 820 -143 C ATOM 356 O LYS A 43 -15.248 13.661 -6.914 1.00 35.82 O ANISOU 356 O LYS A 43 5175 4128 4309 -304 796 -159 O ATOM 357 CB LYS A 43 -18.413 12.850 -6.844 1.00 33.38 C ANISOU 357 CB LYS A 43 4815 3697 4169 -240 960 -195 C ATOM 358 CG LYS A 43 -17.821 11.960 -5.753 1.00 38.89 C ANISOU 358 CG LYS A 43 5602 4440 4733 -276 961 -209 C ATOM 359 CD LYS A 43 -18.820 10.868 -5.277 1.00 59.26 C ANISOU 359 CD LYS A 43 8200 7005 7310 -272 1024 -219 C ATOM 360 CE LYS A 43 -18.082 9.581 -4.794 1.00 65.57 C ANISOU 360 CE LYS A 43 9066 7864 7984 -286 969 -190 C ATOM 361 NZ LYS A 43 -18.954 8.488 -4.202 1.00 65.23 N ANISOU 361 NZ LYS A 43 9062 7803 7921 -298 1027 -193 N ATOM 0 H LYS A 43 -19.076 14.644 -8.352 1.00 26.72 H new ATOM 0 HA LYS A 43 -17.483 14.593 -6.265 1.00 29.32 H new ATOM 0 HB2 LYS A 43 -19.318 13.095 -6.596 1.00 33.38 H new ATOM 0 HB3 LYS A 43 -18.472 12.343 -7.669 1.00 33.38 H new ATOM 0 HG2 LYS A 43 -17.015 11.535 -6.087 1.00 38.89 H new ATOM 0 HG3 LYS A 43 -17.560 12.509 -4.997 1.00 38.89 H new ATOM 0 HD2 LYS A 43 -19.364 11.220 -4.555 1.00 59.26 H new ATOM 0 HD3 LYS A 43 -19.423 10.642 -6.003 1.00 59.26 H new ATOM 0 HE2 LYS A 43 -17.596 9.209 -5.546 1.00 65.57 H new ATOM 0 HE3 LYS A 43 -17.424 9.839 -4.130 1.00 65.57 H new ATOM 0 HZ1 LYS A 43 -18.485 8.024 -3.605 1.00 65.23 H new ATOM 0 HZ2 LYS A 43 -19.660 8.855 -3.804 1.00 65.23 H new ATOM 0 HZ3 LYS A 43 -19.229 7.943 -4.850 1.00 65.23 H new ATOM 362 N LEU A 44 -16.085 13.552 -8.961 1.00 26.15 N ANISOU 362 N LEU A 44 3820 2900 3217 -232 760 -88 N ATOM 363 CA LEU A 44 -14.799 13.260 -9.574 1.00 26.84 C ANISOU 363 CA LEU A 44 3887 3076 3236 -238 677 -50 C ATOM 364 C LEU A 44 -13.907 14.439 -9.421 1.00 31.79 C ANISOU 364 C LEU A 44 4530 3700 3848 -287 658 -57 C ATOM 365 O LEU A 44 -12.770 14.315 -9.146 1.00 35.57 O ANISOU 365 O LEU A 44 5026 4239 4251 -315 615 -60 O ATOM 366 CB LEU A 44 -14.971 12.981 -11.043 1.00 24.62 C ANISOU 366 CB LEU A 44 3529 2827 3000 -199 631 3 C ATOM 367 CG LEU A 44 -14.003 12.103 -11.805 1.00 32.38 C ANISOU 367 CG LEU A 44 4475 3910 3917 -183 561 33 C ATOM 368 CD1 LEU A 44 -13.581 12.713 -13.057 1.00 31.80 C ANISOU 368 CD1 LEU A 44 4348 3870 3862 -191 521 76 C ATOM 369 CD2 LEU A 44 -12.911 11.521 -11.069 1.00 31.77 C ANISOU 369 CD2 LEU A 44 4431 3892 3749 -199 531 12 C ATOM 0 H LEU A 44 -16.741 13.600 -9.515 1.00 26.15 H new ATOM 0 HA LEU A 44 -14.416 12.482 -9.140 1.00 26.84 H new ATOM 0 HB2 LEU A 44 -15.852 12.590 -11.153 1.00 24.62 H new ATOM 0 HB3 LEU A 44 -14.984 13.840 -11.492 1.00 24.62 H new ATOM 0 HG LEU A 44 -14.540 11.321 -12.008 1.00 32.38 H new ATOM 0 HD11 LEU A 44 -12.963 12.121 -13.514 1.00 31.80 H new ATOM 0 HD12 LEU A 44 -14.356 12.867 -13.619 1.00 31.80 H new ATOM 0 HD13 LEU A 44 -13.142 13.558 -12.874 1.00 31.80 H new ATOM 0 HD21 LEU A 44 -12.367 10.984 -11.667 1.00 31.77 H new ATOM 0 HD22 LEU A 44 -12.368 12.226 -10.684 1.00 31.77 H new ATOM 0 HD23 LEU A 44 -13.261 10.960 -10.360 1.00 31.77 H new ATOM 370 N LYS A 45 -14.478 15.596 -9.643 1.00 32.33 N ANISOU 370 N LYS A 45 4589 3691 4002 -297 688 -60 N ATOM 371 CA LYS A 45 -13.762 16.857 -9.539 1.00 35.45 C ANISOU 371 CA LYS A 45 5003 4064 4403 -348 674 -66 C ATOM 372 C LYS A 45 -13.310 17.197 -8.120 1.00 35.53 C ANISOU 372 C LYS A 45 5092 4056 4352 -396 704 -130 C ATOM 373 O LYS A 45 -12.245 17.787 -7.961 1.00 35.09 O ANISOU 373 O LYS A 45 5053 4026 4255 -446 665 -132 O ATOM 374 CB LYS A 45 -14.542 18.014 -10.184 1.00 38.68 C ANISOU 374 CB LYS A 45 5385 4380 4932 -342 688 -48 C ATOM 375 CG LYS A 45 -13.840 19.327 -10.190 1.00 42.83 C ANISOU 375 CG LYS A 45 5930 4871 5473 -398 667 -46 C ATOM 376 CD LYS A 45 -14.711 20.413 -10.805 1.00 46.22 C ANISOU 376 CD LYS A 45 6338 5192 6032 -385 672 -25 C ATOM 377 CE LYS A 45 -14.988 20.084 -12.262 1.00 49.04 C ANISOU 377 CE LYS A 45 6632 5580 6420 -352 619 57 C ATOM 378 NZ LYS A 45 -13.724 19.922 -13.041 1.00 53.41 N ANISOU 378 NZ LYS A 45 7168 6238 6887 -393 557 112 N ATOM 0 H LYS A 45 -15.305 15.682 -9.862 1.00 32.33 H new ATOM 0 HA LYS A 45 -12.945 16.732 -10.047 1.00 35.45 H new ATOM 0 HB2 LYS A 45 -14.753 17.772 -11.099 1.00 38.68 H new ATOM 0 HB3 LYS A 45 -15.386 18.117 -9.716 1.00 38.68 H new ATOM 0 HG2 LYS A 45 -13.603 19.574 -9.282 1.00 42.83 H new ATOM 0 HG3 LYS A 45 -13.012 19.252 -10.689 1.00 42.83 H new ATOM 0 HD2 LYS A 45 -15.546 20.486 -10.316 1.00 46.22 H new ATOM 0 HD3 LYS A 45 -14.267 21.273 -10.737 1.00 46.22 H new ATOM 0 HE2 LYS A 45 -15.509 19.268 -12.316 1.00 49.04 H new ATOM 0 HE3 LYS A 45 -15.524 20.789 -12.657 1.00 49.04 H new ATOM 0 HZ1 LYS A 45 -13.825 20.281 -13.849 1.00 53.41 H new ATOM 0 HZ2 LYS A 45 -13.058 20.332 -12.616 1.00 53.41 H new ATOM 0 HZ3 LYS A 45 -13.535 19.056 -13.123 1.00 53.41 H new ATOM 379 N THR A 46 -14.056 16.775 -7.094 1.00 33.19 N ANISOU 379 N THR A 46 4847 3724 4041 -389 770 -181 N ATOM 380 CA THR A 46 -13.720 17.211 -5.724 1.00 36.54 C ANISOU 380 CA THR A 46 5359 4123 4401 -442 804 -247 C ATOM 381 C THR A 46 -13.199 16.143 -4.780 1.00 39.47 C ANISOU 381 C THR A 46 5794 4557 4647 -459 788 -263 C ATOM 382 O THR A 46 -12.393 16.464 -3.902 1.00 43.21 O ANISOU 382 O THR A 46 6332 5044 5042 -511 768 -296 O ATOM 383 CB THR A 46 -14.952 17.940 -5.094 1.00 35.35 C ANISOU 383 CB THR A 46 5236 3865 4329 -441 906 -313 C ATOM 384 OG1 THR A 46 -16.086 17.099 -5.236 1.00 32.73 O ANISOU 384 OG1 THR A 46 4875 3522 4039 -393 957 -309 O ATOM 385 CG2 THR A 46 -15.255 19.127 -5.904 1.00 34.80 C ANISOU 385 CG2 THR A 46 5116 3723 4382 -431 900 -298 C ATOM 0 H THR A 46 -14.738 16.255 -7.160 1.00 33.19 H new ATOM 0 HA THR A 46 -12.965 17.810 -5.833 1.00 36.54 H new ATOM 0 HB THR A 46 -14.761 18.160 -4.169 1.00 35.35 H new ATOM 0 HG1 THR A 46 -16.335 17.097 -6.038 1.00 32.73 H new ATOM 0 HG21 THR A 46 -16.018 19.591 -5.526 1.00 34.80 H new ATOM 0 HG22 THR A 46 -14.487 19.720 -5.910 1.00 34.80 H new ATOM 0 HG23 THR A 46 -15.460 18.855 -6.812 1.00 34.80 H new ATOM 386 N GLN A 47 -13.631 14.881 -4.967 1.00 35.54 N ANISOU 386 N GLN A 47 5280 4093 4130 -417 787 -235 N ATOM 387 CA GLN A 47 -13.117 13.711 -4.214 1.00 35.81 C ANISOU 387 CA GLN A 47 5372 4185 4051 -425 752 -233 C ATOM 388 C GLN A 47 -12.695 12.537 -5.062 1.00 30.36 C ANISOU 388 C GLN A 47 4624 3565 3348 -377 677 -176 C ATOM 389 O GLN A 47 -13.239 11.426 -4.906 1.00 28.70 O ANISOU 389 O GLN A 47 4428 3358 3118 -350 689 -165 O ATOM 390 CB GLN A 47 -14.106 13.183 -3.244 1.00 41.45 C ANISOU 390 CB GLN A 47 6155 4857 4735 -435 835 -268 C ATOM 391 CG GLN A 47 -15.426 13.698 -3.523 1.00 47.41 C ANISOU 391 CG GLN A 47 6872 5540 5602 -414 929 -292 C ATOM 392 CD GLN A 47 -16.313 13.470 -2.333 1.00 55.38 C ANISOU 392 CD GLN A 47 7960 6508 6576 -446 1033 -349 C ATOM 393 OE1 GLN A 47 -17.469 13.052 -2.467 1.00 55.25 O ANISOU 393 OE1 GLN A 47 7912 6459 6623 -421 1104 -355 O ATOM 394 NE2 GLN A 47 -15.751 13.685 -1.140 1.00 60.17 N ANISOU 394 NE2 GLN A 47 8670 7120 7071 -508 1041 -390 N ATOM 0 H GLN A 47 -14.238 14.677 -5.541 1.00 35.54 H new ATOM 0 HA GLN A 47 -12.336 14.079 -3.772 1.00 35.81 H new ATOM 0 HB2 GLN A 47 -14.118 12.214 -3.283 1.00 41.45 H new ATOM 0 HB3 GLN A 47 -13.843 13.427 -2.343 1.00 41.45 H new ATOM 0 HG2 GLN A 47 -15.378 14.645 -3.726 1.00 47.41 H new ATOM 0 HG3 GLN A 47 -15.797 13.259 -4.304 1.00 47.41 H new ATOM 0 HE21 GLN A 47 -14.943 13.977 -1.091 1.00 60.17 H new ATOM 0 HE22 GLN A 47 -16.197 13.532 -0.421 1.00 60.17 H new ATOM 395 N PRO A 48 -11.693 12.760 -5.905 1.00 33.47 N ANISOU 395 N PRO A 48 4955 4015 3747 -371 603 -146 N ATOM 396 CA PRO A 48 -11.314 11.652 -6.780 1.00 27.69 C ANISOU 396 CA PRO A 48 4161 3351 3009 -321 540 -104 C ATOM 397 C PRO A 48 -10.783 10.426 -5.956 1.00 27.72 C ANISOU 397 C PRO A 48 4219 3392 2922 -315 488 -107 C ATOM 398 O PRO A 48 -10.949 9.300 -6.399 1.00 26.20 O ANISOU 398 O PRO A 48 4001 3223 2733 -268 461 -83 O ATOM 399 CB PRO A 48 -10.282 12.275 -7.738 1.00 29.23 C ANISOU 399 CB PRO A 48 4282 3602 3221 -331 484 -83 C ATOM 400 CG PRO A 48 -9.725 13.473 -6.914 1.00 34.00 C ANISOU 400 CG PRO A 48 4936 4180 3802 -398 491 -117 C ATOM 401 CD PRO A 48 -10.840 13.948 -6.058 1.00 35.51 C ANISOU 401 CD PRO A 48 5198 4280 4014 -414 576 -154 C ATOM 0 HA PRO A 48 -12.056 11.274 -7.277 1.00 27.69 H new ATOM 0 HB2 PRO A 48 -9.583 11.645 -7.974 1.00 29.23 H new ATOM 0 HB3 PRO A 48 -10.691 12.568 -8.567 1.00 29.23 H new ATOM 0 HG2 PRO A 48 -8.968 13.198 -6.374 1.00 34.00 H new ATOM 0 HG3 PRO A 48 -9.414 14.180 -7.500 1.00 34.00 H new ATOM 0 HD2 PRO A 48 -10.519 14.269 -5.201 1.00 35.51 H new ATOM 0 HD3 PRO A 48 -11.321 14.681 -6.473 1.00 35.51 H new ATOM 402 N ASN A 49 -10.096 10.630 -4.817 1.00 30.45 N ANISOU 402 N ASN A 49 4641 3740 3188 -363 463 -133 N ATOM 403 CA ASN A 49 -9.563 9.491 -4.102 1.00 31.92 C ANISOU 403 CA ASN A 49 4880 3955 3292 -356 396 -126 C ATOM 404 C ASN A 49 -10.726 8.624 -3.570 1.00 30.69 C ANISOU 404 C ASN A 49 4791 3750 3121 -346 455 -121 C ATOM 405 O ASN A 49 -10.634 7.415 -3.504 1.00 29.91 O ANISOU 405 O ASN A 49 4707 3666 2992 -316 405 -95 O ATOM 406 CB ASN A 49 -8.682 9.991 -2.968 1.00 38.66 C ANISOU 406 CB ASN A 49 5809 4815 4063 -416 354 -154 C ATOM 407 CG ASN A 49 -7.397 10.635 -3.471 1.00 43.94 C ANISOU 407 CG ASN A 49 6406 5544 4747 -429 281 -157 C ATOM 408 OD1 ASN A 49 -6.648 10.043 -4.262 1.00 44.49 O ANISOU 408 OD1 ASN A 49 6390 5676 4837 -386 211 -135 O ATOM 409 ND2 ASN A 49 -7.144 11.859 -3.033 1.00 48.52 N ANISOU 409 ND2 ASN A 49 7013 6102 5320 -489 303 -190 N ATOM 0 H ASN A 49 -9.939 11.398 -4.463 1.00 30.45 H new ATOM 0 HA ASN A 49 -9.026 8.941 -4.693 1.00 31.92 H new ATOM 0 HB2 ASN A 49 -9.177 10.635 -2.437 1.00 38.66 H new ATOM 0 HB3 ASN A 49 -8.462 9.250 -2.382 1.00 38.66 H new ATOM 0 HD21 ASN A 49 -6.438 12.273 -3.297 1.00 48.52 H new ATOM 0 HD22 ASN A 49 -7.686 12.240 -2.484 1.00 48.52 H new ATOM 410 N LYS A 50 -11.825 9.245 -3.186 1.00 32.10 N ANISOU 410 N LYS A 50 5005 3865 3325 -374 561 -147 N ATOM 411 CA LYS A 50 -13.023 8.481 -2.759 1.00 33.32 C ANISOU 411 CA LYS A 50 5208 3974 3477 -372 634 -146 C ATOM 412 C LYS A 50 -13.632 7.626 -3.927 1.00 33.49 C ANISOU 412 C LYS A 50 5142 4002 3580 -305 628 -109 C ATOM 413 O LYS A 50 -13.922 6.412 -3.795 1.00 33.64 O ANISOU 413 O LYS A 50 5187 4019 3576 -287 611 -85 O ATOM 414 CB LYS A 50 -14.034 9.468 -2.208 1.00 34.41 C ANISOU 414 CB LYS A 50 5379 4048 3645 -412 757 -196 C ATOM 415 CG LYS A 50 -15.276 8.762 -1.602 1.00 59.61 C ANISOU 415 CG LYS A 50 8624 7197 6829 -426 850 -206 C ATOM 416 CD LYS A 50 -16.085 9.712 -0.736 1.00 62.75 C ANISOU 416 CD LYS A 50 9074 7538 7230 -479 975 -273 C ATOM 417 CE LYS A 50 -16.769 10.738 -1.587 1.00 65.23 C ANISOU 417 CE LYS A 50 9288 7811 7685 -445 1030 -296 C ATOM 418 NZ LYS A 50 -17.997 10.316 -2.356 1.00 64.65 N ANISOU 418 NZ LYS A 50 9131 7708 7726 -399 1084 -283 N ATOM 0 H LYS A 50 -11.915 10.100 -3.159 1.00 32.10 H new ATOM 0 HA LYS A 50 -12.770 7.843 -2.073 1.00 33.32 H new ATOM 0 HB2 LYS A 50 -13.611 10.015 -1.527 1.00 34.41 H new ATOM 0 HB3 LYS A 50 -14.318 10.066 -2.917 1.00 34.41 H new ATOM 0 HG2 LYS A 50 -15.835 8.417 -2.316 1.00 59.61 H new ATOM 0 HG3 LYS A 50 -14.991 8.001 -1.072 1.00 59.61 H new ATOM 0 HD2 LYS A 50 -16.744 9.214 -0.227 1.00 62.75 H new ATOM 0 HD3 LYS A 50 -15.503 10.150 -0.095 1.00 62.75 H new ATOM 0 HE2 LYS A 50 -17.017 11.481 -1.015 1.00 65.23 H new ATOM 0 HE3 LYS A 50 -16.121 11.075 -2.225 1.00 65.23 H new ATOM 0 HZ1 LYS A 50 -18.124 10.870 -3.041 1.00 64.65 H new ATOM 0 HZ2 LYS A 50 -17.886 9.488 -2.662 1.00 64.65 H new ATOM 0 HZ3 LYS A 50 -18.707 10.341 -1.820 1.00 64.65 H new ATOM 419 N ILE A 51 -13.754 8.269 -5.081 1.00 36.60 N ANISOU 419 N ILE A 51 5438 4403 4064 -273 632 -102 N ATOM 420 CA ILE A 51 -14.091 7.585 -6.356 1.00 35.46 C ANISOU 420 CA ILE A 51 5205 4280 3990 -212 606 -69 C ATOM 421 C ILE A 51 -13.203 6.396 -6.614 1.00 31.87 C ANISOU 421 C ILE A 51 4741 3882 3488 -177 509 -43 C ATOM 422 O ILE A 51 -13.697 5.318 -6.853 1.00 30.58 O ANISOU 422 O ILE A 51 4572 3709 3338 -145 500 -26 O ATOM 423 CB ILE A 51 -14.004 8.496 -7.600 1.00 37.37 C ANISOU 423 CB ILE A 51 5352 4537 4309 -192 597 -57 C ATOM 424 CG1 ILE A 51 -15.081 9.572 -7.570 1.00 40.88 C ANISOU 424 CG1 ILE A 51 5789 4911 4834 -208 685 -78 C ATOM 425 CG2 ILE A 51 -14.091 7.597 -8.929 1.00 32.66 C ANISOU 425 CG2 ILE A 51 4674 3981 3753 -132 548 -23 C ATOM 426 CD1 ILE A 51 -16.360 8.954 -7.802 1.00 43.40 C ANISOU 426 CD1 ILE A 51 6085 5189 5214 -180 734 -74 C ATOM 0 H ILE A 51 -13.646 9.118 -5.161 1.00 36.60 H new ATOM 0 HA ILE A 51 -15.013 7.309 -6.231 1.00 35.46 H new ATOM 0 HB ILE A 51 -13.151 8.958 -7.598 1.00 37.37 H new ATOM 0 HG12 ILE A 51 -15.078 10.026 -6.713 1.00 40.88 H new ATOM 0 HG13 ILE A 51 -14.904 10.243 -8.248 1.00 40.88 H new ATOM 0 HG21 ILE A 51 -14.036 8.169 -9.711 1.00 32.66 H new ATOM 0 HG22 ILE A 51 -13.356 6.964 -8.940 1.00 32.66 H new ATOM 0 HG23 ILE A 51 -14.933 7.115 -8.939 1.00 32.66 H new ATOM 0 HD11 ILE A 51 -17.055 9.631 -7.785 1.00 43.40 H new ATOM 0 HD12 ILE A 51 -16.356 8.517 -8.668 1.00 43.40 H new ATOM 0 HD13 ILE A 51 -16.533 8.297 -7.110 1.00 43.40 H new ATOM 427 N ALA A 52 -11.898 6.584 -6.540 1.00 29.97 N ANISOU 427 N ALA A 52 4494 3694 3199 -184 434 -45 N ATOM 428 CA ALA A 52 -10.970 5.488 -6.697 1.00 28.32 C ANISOU 428 CA ALA A 52 4270 3535 2955 -147 337 -31 C ATOM 429 C ALA A 52 -11.149 4.352 -5.677 1.00 28.20 C ANISOU 429 C ALA A 52 4349 3487 2879 -150 312 -21 C ATOM 430 O ALA A 52 -11.039 3.205 -6.089 1.00 28.02 O ANISOU 430 O ALA A 52 4305 3475 2868 -102 257 -3 O ATOM 431 CB ALA A 52 -9.535 6.013 -6.579 1.00 28.69 C ANISOU 431 CB ALA A 52 4296 3640 2965 -164 265 -44 C ATOM 0 H ALA A 52 -11.528 7.347 -6.398 1.00 29.97 H new ATOM 0 HA ALA A 52 -11.153 5.114 -7.573 1.00 28.32 H new ATOM 0 HB1 ALA A 52 -8.911 5.277 -6.684 1.00 28.69 H new ATOM 0 HB2 ALA A 52 -9.374 6.674 -7.270 1.00 28.69 H new ATOM 0 HB3 ALA A 52 -9.410 6.420 -5.708 1.00 28.69 H new ATOM 432 N ASP A 53 -11.432 4.630 -4.396 1.00 28.04 N ANISOU 432 N ASP A 53 4436 3425 2794 -209 351 -31 N ATOM 433 CA ASP A 53 -11.546 3.548 -3.395 1.00 31.87 C ANISOU 433 CA ASP A 53 5025 3879 3205 -225 321 -11 C ATOM 434 C ASP A 53 -12.826 2.780 -3.711 1.00 30.99 C ANISOU 434 C ASP A 53 4912 3722 3142 -208 386 5 C ATOM 435 O ASP A 53 -12.893 1.561 -3.558 1.00 33.81 O ANISOU 435 O ASP A 53 5305 4061 3480 -189 339 34 O ATOM 436 CB ASP A 53 -11.691 4.089 -1.950 1.00 36.83 C ANISOU 436 CB ASP A 53 5780 4474 3740 -306 367 -29 C ATOM 437 CG ASP A 53 -10.434 4.664 -1.379 1.00 42.13 C ANISOU 437 CG ASP A 53 6479 5182 4345 -334 288 -43 C ATOM 438 OD1 ASP A 53 -9.357 4.544 -1.981 1.00 41.26 O ANISOU 438 OD1 ASP A 53 6294 5124 4258 -292 190 -37 O ATOM 439 OD2 ASP A 53 -10.517 5.198 -0.241 1.00 50.44 O ANISOU 439 OD2 ASP A 53 7637 6212 5316 -404 323 -65 O ATOM 0 H ASP A 53 -11.560 5.422 -4.087 1.00 28.04 H new ATOM 0 HA ASP A 53 -10.743 3.006 -3.440 1.00 31.87 H new ATOM 0 HB2 ASP A 53 -12.380 4.771 -1.939 1.00 36.83 H new ATOM 0 HB3 ASP A 53 -11.995 3.369 -1.375 1.00 36.83 H new ATOM 440 N GLU A 54 -13.863 3.506 -4.120 1.00 32.36 N ANISOU 440 N GLU A 54 5042 3871 3384 -217 491 -14 N ATOM 441 CA GLU A 54 -15.137 2.862 -4.508 1.00 32.75 C ANISOU 441 CA GLU A 54 5069 3878 3496 -201 554 -3 C ATOM 442 C GLU A 54 -14.991 1.912 -5.687 1.00 31.94 C ANISOU 442 C GLU A 54 4886 3799 3450 -131 482 21 C ATOM 443 O GLU A 54 -15.617 0.824 -5.743 1.00 32.96 O ANISOU 443 O GLU A 54 5031 3896 3595 -119 481 40 O ATOM 444 CB GLU A 54 -16.133 3.933 -4.934 1.00 37.51 C ANISOU 444 CB GLU A 54 5613 4455 4185 -209 658 -31 C ATOM 0 H GLU A 54 -13.860 4.364 -4.183 1.00 32.36 H new ATOM 0 HA GLU A 54 -15.434 2.360 -3.733 1.00 32.75 H new ATOM 445 N LEU A 55 -14.189 2.323 -6.685 1.00 27.19 N ANISOU 445 N LEU A 55 4196 3253 2880 -89 427 16 N ATOM 446 CA LEU A 55 -13.999 1.463 -7.845 1.00 23.47 C ANISOU 446 CA LEU A 55 3650 2813 2456 -24 364 27 C ATOM 447 C LEU A 55 -13.132 0.331 -7.450 1.00 22.96 C ANISOU 447 C LEU A 55 3626 2758 2340 0 267 39 C ATOM 448 O LEU A 55 -13.225 -0.740 -8.000 1.00 24.63 O ANISOU 448 O LEU A 55 3814 2965 2581 45 223 47 O ATOM 449 CB LEU A 55 -13.427 2.258 -9.042 1.00 19.92 C ANISOU 449 CB LEU A 55 3098 2425 2046 3 344 17 C ATOM 450 CG LEU A 55 -14.351 3.274 -9.690 1.00 23.17 C ANISOU 450 CG LEU A 55 3460 2818 2526 -8 420 16 C ATOM 451 CD1 LEU A 55 -13.666 4.148 -10.804 1.00 25.54 C ANISOU 451 CD1 LEU A 55 3677 3179 2848 4 394 16 C ATOM 452 CD2 LEU A 55 -15.626 2.585 -10.130 1.00 26.71 C ANISOU 452 CD2 LEU A 55 3889 3222 3037 12 454 25 C ATOM 0 H LEU A 55 -13.764 3.070 -6.703 1.00 27.19 H new ATOM 0 HA LEU A 55 -14.852 1.112 -8.144 1.00 23.47 H new ATOM 0 HB2 LEU A 55 -12.629 2.722 -8.744 1.00 19.92 H new ATOM 0 HB3 LEU A 55 -13.150 1.624 -9.722 1.00 19.92 H new ATOM 0 HG LEU A 55 -14.587 3.937 -9.023 1.00 23.17 H new ATOM 0 HD11 LEU A 55 -14.313 4.771 -11.171 1.00 25.54 H new ATOM 0 HD12 LEU A 55 -12.925 4.642 -10.418 1.00 25.54 H new ATOM 0 HD13 LEU A 55 -13.336 3.571 -11.511 1.00 25.54 H new ATOM 0 HD21 LEU A 55 -16.218 3.233 -10.544 1.00 26.71 H new ATOM 0 HD22 LEU A 55 -15.413 1.887 -10.769 1.00 26.71 H new ATOM 0 HD23 LEU A 55 -16.065 2.193 -9.359 1.00 26.71 H new ATOM 453 N LYS A 56 -12.207 0.540 -6.512 1.00 23.81 N ANISOU 453 N LYS A 56 3794 2879 2375 -27 221 38 N ATOM 454 CA LYS A 56 -11.300 -0.547 -6.116 1.00 24.50 C ANISOU 454 CA LYS A 56 3918 2970 2421 2 109 51 C ATOM 455 C LYS A 56 -12.175 -1.654 -5.552 1.00 29.58 C ANISOU 455 C LYS A 56 4646 3542 3051 -10 120 81 C ATOM 456 O LYS A 56 -11.991 -2.832 -5.866 1.00 30.93 O ANISOU 456 O LYS A 56 4811 3697 3243 38 46 94 O ATOM 457 CB LYS A 56 -10.266 -0.051 -5.062 1.00 29.79 C ANISOU 457 CB LYS A 56 4649 3658 3011 -36 55 48 C ATOM 458 CG LYS A 56 -9.273 -1.116 -4.715 1.00 33.42 C ANISOU 458 CG LYS A 56 5135 4121 3443 2 -77 62 C ATOM 459 CD LYS A 56 -8.308 -0.768 -3.556 1.00 35.39 C ANISOU 459 CD LYS A 56 5459 4379 3609 -39 -149 65 C ATOM 460 CE LYS A 56 -7.828 -2.091 -2.887 1.00 57.96 C ANISOU 460 CE LYS A 56 8394 7198 6431 -14 -274 99 C ATOM 461 NZ LYS A 56 -6.853 -1.877 -1.779 1.00 59.75 N ANISOU 461 NZ LYS A 56 8695 7430 6575 -50 -369 107 N ATOM 0 H LYS A 56 -12.087 1.285 -6.099 1.00 23.81 H new ATOM 0 HA LYS A 56 -10.785 -0.867 -6.873 1.00 24.50 H new ATOM 0 HB2 LYS A 56 -9.800 0.726 -5.407 1.00 29.79 H new ATOM 0 HB3 LYS A 56 -10.732 0.231 -4.259 1.00 29.79 H new ATOM 0 HG2 LYS A 56 -9.756 -1.924 -4.482 1.00 33.42 H new ATOM 0 HG3 LYS A 56 -8.747 -1.317 -5.505 1.00 33.42 H new ATOM 0 HD2 LYS A 56 -7.548 -0.266 -3.891 1.00 35.39 H new ATOM 0 HD3 LYS A 56 -8.755 -0.205 -2.905 1.00 35.39 H new ATOM 0 HE2 LYS A 56 -8.599 -2.569 -2.542 1.00 57.96 H new ATOM 0 HE3 LYS A 56 -7.421 -2.657 -3.561 1.00 57.96 H new ATOM 0 HZ1 LYS A 56 -6.770 -2.627 -1.307 1.00 59.75 H new ATOM 0 HZ2 LYS A 56 -6.062 -1.651 -2.119 1.00 59.75 H new ATOM 0 HZ3 LYS A 56 -7.145 -1.224 -1.249 1.00 59.75 H new ATOM 462 N GLU A 57 -13.173 -1.266 -4.755 1.00 32.32 N ANISOU 462 N GLU A 57 5069 3842 3368 -77 218 87 N ATOM 463 CA GLU A 57 -14.115 -2.268 -4.179 1.00 34.49 C ANISOU 463 CA GLU A 57 5427 4048 3627 -107 247 117 C ATOM 464 C GLU A 57 -14.965 -2.916 -5.215 1.00 36.09 C ANISOU 464 C GLU A 57 5557 4233 3924 -65 271 119 C ATOM 465 O GLU A 57 -15.168 -4.122 -5.169 1.00 40.61 O ANISOU 465 O GLU A 57 6165 4763 4501 -52 226 144 O ATOM 466 CB GLU A 57 -15.015 -1.696 -3.056 1.00 34.86 C ANISOU 466 CB GLU A 57 5569 4057 3619 -197 364 115 C ATOM 0 H GLU A 57 -13.330 -0.450 -4.532 1.00 32.32 H new ATOM 0 HA GLU A 57 -13.538 -2.940 -3.783 1.00 34.49 H new ATOM 467 N GLU A 58 -15.500 -2.149 -6.133 1.00 34.65 N ANISOU 467 N GLU A 58 5277 4074 3814 -49 335 93 N ATOM 468 CA GLU A 58 -16.441 -2.676 -7.069 1.00 36.48 C ANISOU 468 CA GLU A 58 5444 4286 4133 -19 362 93 C ATOM 469 C GLU A 58 -15.824 -3.527 -8.162 1.00 35.86 C ANISOU 469 C GLU A 58 5297 4235 4093 57 263 89 C ATOM 470 O GLU A 58 -16.397 -4.471 -8.590 1.00 36.76 O ANISOU 470 O GLU A 58 5400 4316 4251 77 250 96 O ATOM 471 CB GLU A 58 -17.221 -1.519 -7.642 1.00 42.33 C ANISOU 471 CB GLU A 58 6109 5037 4939 -29 453 70 C ATOM 472 CG GLU A 58 -18.240 -1.829 -8.639 1.00 48.68 C ANISOU 472 CG GLU A 58 6837 5824 5836 -3 479 67 C ATOM 473 CD GLU A 58 -19.099 -0.612 -8.967 1.00 54.27 C ANISOU 473 CD GLU A 58 7484 6526 6610 -19 568 49 C ATOM 474 OE1 GLU A 58 -18.759 0.501 -8.565 1.00 53.88 O ANISOU 474 OE1 GLU A 58 7446 6492 6536 -42 601 35 O ATOM 475 OE2 GLU A 58 -20.113 -0.784 -9.665 1.00 57.32 O ANISOU 475 OE2 GLU A 58 7809 6889 7080 -6 596 46 O ATOM 0 H GLU A 58 -15.327 -1.312 -6.228 1.00 34.65 H new ATOM 0 HA GLU A 58 -17.025 -3.288 -6.595 1.00 36.48 H new ATOM 0 HB2 GLU A 58 -17.651 -1.054 -6.908 1.00 42.33 H new ATOM 0 HB3 GLU A 58 -16.590 -0.899 -8.040 1.00 42.33 H new ATOM 0 HG2 GLU A 58 -17.813 -2.152 -9.448 1.00 48.68 H new ATOM 0 HG3 GLU A 58 -18.806 -2.546 -8.312 1.00 48.68 H new ATOM 476 N TRP A 59 -14.658 -3.158 -8.632 1.00 29.18 N ANISOU 476 N TRP A 59 4401 3454 3234 97 200 72 N ATOM 477 CA TRP A 59 -13.987 -3.912 -9.666 1.00 28.31 C ANISOU 477 CA TRP A 59 4220 3379 3158 169 115 55 C ATOM 478 C TRP A 59 -12.951 -4.881 -9.237 1.00 30.72 C ANISOU 478 C TRP A 59 4562 3678 3430 204 7 58 C ATOM 479 O TRP A 59 -12.552 -5.728 -10.035 1.00 35.26 O ANISOU 479 O TRP A 59 5086 4266 4045 268 -59 37 O ATOM 480 CB TRP A 59 -13.350 -2.928 -10.672 1.00 22.93 C ANISOU 480 CB TRP A 59 3438 2780 2493 192 118 27 C ATOM 481 CG TRP A 59 -14.432 -2.109 -11.503 1.00 23.86 C ANISOU 481 CG TRP A 59 3499 2900 2665 176 201 27 C ATOM 482 CD1 TRP A 59 -15.797 -2.314 -11.522 1.00 27.11 C ANISOU 482 CD1 TRP A 59 3922 3254 3125 157 261 39 C ATOM 483 CD2 TRP A 59 -14.198 -0.949 -12.330 1.00 22.11 C ANISOU 483 CD2 TRP A 59 3206 2736 2458 174 226 17 C ATOM 484 NE1 TRP A 59 -16.404 -1.365 -12.347 1.00 25.62 N ANISOU 484 NE1 TRP A 59 3666 3082 2985 152 310 35 N ATOM 485 CE2 TRP A 59 -15.449 -0.561 -12.884 1.00 21.80 C ANISOU 485 CE2 TRP A 59 3138 2667 2479 162 287 26 C ATOM 486 CE3 TRP A 59 -13.055 -0.263 -12.730 1.00 21.37 C ANISOU 486 CE3 TRP A 59 3066 2716 2338 179 197 3 C ATOM 487 CZ2 TRP A 59 -15.567 0.481 -13.794 1.00 24.47 C ANISOU 487 CZ2 TRP A 59 3413 3039 2845 158 309 28 C ATOM 488 CZ3 TRP A 59 -13.192 0.785 -13.621 1.00 17.31 C ANISOU 488 CZ3 TRP A 59 2492 2238 1846 167 232 5 C ATOM 489 CH2 TRP A 59 -14.440 1.171 -14.140 1.00 20.44 C ANISOU 489 CH2 TRP A 59 2871 2597 2298 156 283 21 C ATOM 0 H TRP A 59 -14.229 -2.463 -8.363 1.00 29.18 H new ATOM 0 HA TRP A 59 -14.689 -4.460 -10.050 1.00 28.31 H new ATOM 0 HB2 TRP A 59 -12.778 -2.307 -10.193 1.00 22.93 H new ATOM 0 HB3 TRP A 59 -12.783 -3.421 -11.285 1.00 22.93 H new ATOM 0 HD1 TRP A 59 -16.245 -2.983 -11.056 1.00 27.11 H new ATOM 0 HE1 TRP A 59 -17.249 -1.300 -12.492 1.00 25.62 H new ATOM 0 HE3 TRP A 59 -12.218 -0.504 -12.405 1.00 21.37 H new ATOM 0 HZ2 TRP A 59 -16.393 0.704 -14.159 1.00 24.47 H new ATOM 0 HZ3 TRP A 59 -12.432 1.251 -13.886 1.00 17.31 H new ATOM 0 HH2 TRP A 59 -14.498 1.896 -14.719 1.00 20.44 H new ATOM 490 N GLY A 60 -12.445 -4.733 -8.010 1.00 31.98 N ANISOU 490 N GLY A 60 4809 3821 3521 167 -18 79 N ATOM 491 CA GLY A 60 -11.651 -5.784 -7.388 1.00 33.22 C ANISOU 491 CA GLY A 60 5026 3947 3649 193 -131 95 C ATOM 492 C GLY A 60 -10.155 -5.691 -7.673 1.00 35.78 C ANISOU 492 C GLY A 60 5284 4336 3973 248 -228 64 C ATOM 493 O GLY A 60 -9.462 -6.685 -7.739 1.00 41.63 O ANISOU 493 O GLY A 60 6019 5062 4735 306 -332 58 O ATOM 0 H GLY A 60 -12.552 -4.031 -7.525 1.00 31.98 H new ATOM 0 HA2 GLY A 60 -11.789 -5.755 -6.428 1.00 33.22 H new ATOM 0 HA3 GLY A 60 -11.975 -6.645 -7.695 1.00 33.22 H new ATOM 494 N ASP A 61 -9.665 -4.470 -7.803 1.00 32.31 N ANISOU 494 N ASP A 61 4794 3965 3518 227 -193 43 N ATOM 495 CA ASP A 61 -8.265 -4.231 -8.100 1.00 30.54 C ANISOU 495 CA ASP A 61 4493 3812 3299 267 -269 9 C ATOM 496 C ASP A 61 -7.870 -2.823 -7.788 1.00 29.03 C ANISOU 496 C ASP A 61 4290 3671 3069 212 -225 2 C ATOM 497 O ASP A 61 -8.715 -1.964 -7.609 1.00 28.89 O ANISOU 497 O ASP A 61 4304 3639 3035 155 -127 14 O ATOM 498 CB ASP A 61 -7.978 -4.610 -9.569 1.00 29.94 C ANISOU 498 CB ASP A 61 4291 3790 3295 338 -279 -36 C ATOM 499 CG ASP A 61 -6.467 -4.896 -9.857 1.00 46.45 C ANISOU 499 CG ASP A 61 6298 5943 5409 399 -378 -80 C ATOM 500 OD1 ASP A 61 -5.621 -4.715 -8.917 1.00 47.23 O ANISOU 500 OD1 ASP A 61 6429 6043 5472 384 -447 -72 O ATOM 501 OD2 ASP A 61 -6.142 -5.218 -11.062 1.00 43.87 O ANISOU 501 OD2 ASP A 61 5865 5669 5135 456 -381 -129 O ATOM 0 H ASP A 61 -10.136 -3.755 -7.721 1.00 32.31 H new ATOM 0 HA ASP A 61 -7.719 -4.794 -7.530 1.00 30.54 H new ATOM 0 HB2 ASP A 61 -8.498 -5.395 -9.800 1.00 29.94 H new ATOM 0 HB3 ASP A 61 -8.279 -3.891 -10.146 1.00 29.94 H new ATOM 502 N GLU A 62 -6.558 -2.570 -7.589 1.00 27.87 N ANISOU 502 N GLU A 62 4103 3576 2910 225 -303 -19 N ATOM 503 CA GLU A 62 -6.053 -1.213 -7.431 1.00 26.42 C ANISOU 503 CA GLU A 62 3893 3446 2699 173 -268 -33 C ATOM 504 C GLU A 62 -6.442 -0.427 -8.679 1.00 26.54 C ANISOU 504 C GLU A 62 3814 3511 2758 171 -177 -52 C ATOM 505 O GLU A 62 -6.561 -1.026 -9.771 1.00 28.29 O ANISOU 505 O GLU A 62 3963 3756 3031 225 -176 -69 O ATOM 506 CB GLU A 62 -4.505 -1.259 -7.315 1.00 51.42 C ANISOU 506 CB GLU A 62 6996 6671 5870 202 -377 -62 C ATOM 507 CG GLU A 62 -4.013 -1.712 -5.927 1.00 57.51 C ANISOU 507 CG GLU A 62 7871 7396 6585 187 -480 -37 C ATOM 508 CD GLU A 62 -4.450 -0.769 -4.807 1.00 60.30 C ANISOU 508 CD GLU A 62 8339 7719 6854 94 -429 -12 C ATOM 509 OE1 GLU A 62 -4.144 0.461 -4.849 1.00 60.05 O ANISOU 509 OE1 GLU A 62 8273 7732 6812 46 -383 -33 O ATOM 510 OE2 GLU A 62 -5.091 -1.284 -3.858 1.00 63.93 O ANISOU 510 OE2 GLU A 62 8929 8106 7257 64 -435 26 O ATOM 0 H GLU A 62 -5.954 -3.180 -7.544 1.00 27.87 H new ATOM 0 HA GLU A 62 -6.422 -0.797 -6.636 1.00 26.42 H new ATOM 0 HB2 GLU A 62 -4.154 -1.862 -7.989 1.00 51.42 H new ATOM 0 HB3 GLU A 62 -4.146 -0.379 -7.507 1.00 51.42 H new ATOM 0 HG2 GLU A 62 -4.350 -2.603 -5.744 1.00 57.51 H new ATOM 0 HG3 GLU A 62 -3.045 -1.771 -5.935 1.00 57.51 H new ATOM 511 N ILE A 63 -6.559 0.894 -8.542 1.00 27.87 N ANISOU 511 N ILE A 63 3987 3696 2907 109 -110 -50 N ATOM 512 CA ILE A 63 -7.138 1.743 -9.553 1.00 26.27 C ANISOU 512 CA ILE A 63 3724 3517 2741 94 -22 -52 C ATOM 513 C ILE A 63 -6.206 2.927 -9.778 1.00 27.10 C ANISOU 513 C ILE A 63 3770 3687 2840 56 -19 -69 C ATOM 514 O ILE A 63 -5.692 3.504 -8.808 1.00 28.88 O ANISOU 514 O ILE A 63 4042 3905 3024 10 -41 -71 O ATOM 515 CB ILE A 63 -8.464 2.354 -9.007 1.00 26.20 C ANISOU 515 CB ILE A 63 3796 3435 2723 43 70 -28 C ATOM 516 CG1 ILE A 63 -9.473 1.260 -8.744 1.00 25.52 C ANISOU 516 CG1 ILE A 63 3769 3283 2644 65 80 -9 C ATOM 517 CG2 ILE A 63 -9.020 3.475 -9.902 1.00 26.78 C ANISOU 517 CG2 ILE A 63 3816 3522 2837 20 149 -26 C ATOM 518 CD1 ILE A 63 -10.076 0.700 -9.969 1.00 25.44 C ANISOU 518 CD1 ILE A 63 3691 3281 2694 113 96 -10 C ATOM 0 H ILE A 63 -6.296 1.320 -7.842 1.00 27.87 H new ATOM 0 HA ILE A 63 -7.283 1.225 -10.360 1.00 26.27 H new ATOM 0 HB ILE A 63 -8.265 2.786 -8.162 1.00 26.20 H new ATOM 0 HG12 ILE A 63 -9.042 0.545 -8.250 1.00 25.52 H new ATOM 0 HG13 ILE A 63 -10.178 1.611 -8.178 1.00 25.52 H new ATOM 0 HG21 ILE A 63 -9.842 3.818 -9.518 1.00 26.78 H new ATOM 0 HG22 ILE A 63 -8.369 4.191 -9.966 1.00 26.78 H new ATOM 0 HG23 ILE A 63 -9.200 3.123 -10.788 1.00 26.78 H new ATOM 0 HD11 ILE A 63 -10.711 0.007 -9.730 1.00 25.44 H new ATOM 0 HD12 ILE A 63 -10.534 1.403 -10.455 1.00 25.44 H new ATOM 0 HD13 ILE A 63 -9.380 0.321 -10.529 1.00 25.44 H new ATOM 519 N LYS A 64 -5.876 3.217 -11.032 1.00 22.63 N ANISOU 519 N LYS A 64 3103 3188 2308 70 -1 -83 N ATOM 520 CA LYS A 64 -5.232 4.463 -11.374 1.00 21.81 C ANISOU 520 CA LYS A 64 2948 3137 2202 19 23 -90 C ATOM 521 C LYS A 64 -6.244 5.371 -12.120 1.00 26.04 C ANISOU 521 C LYS A 64 3483 3650 2762 -13 110 -63 C ATOM 522 O LYS A 64 -6.640 5.005 -13.210 1.00 23.71 O ANISOU 522 O LYS A 64 3140 3378 2492 19 127 -59 O ATOM 523 CB LYS A 64 -3.999 4.199 -12.214 1.00 26.39 C ANISOU 523 CB LYS A 64 3414 3814 2797 45 -20 -124 C ATOM 524 CG LYS A 64 -2.670 4.388 -11.409 1.00 41.82 C ANISOU 524 CG LYS A 64 5349 5806 4735 26 -92 -150 C ATOM 525 CD LYS A 64 -1.398 4.184 -12.269 1.00 44.03 C ANISOU 525 CD LYS A 64 5496 6191 5042 49 -125 -195 C ATOM 526 CE LYS A 64 -1.058 5.402 -13.114 1.00 45.01 C ANISOU 526 CE LYS A 64 5555 6380 5168 -17 -61 -193 C ATOM 527 NZ LYS A 64 -0.802 6.714 -12.418 1.00 46.00 N ANISOU 527 NZ LYS A 64 5716 6487 5273 -102 -48 -176 N ATOM 0 H LYS A 64 -6.021 2.696 -11.700 1.00 22.63 H new ATOM 0 HA LYS A 64 -4.944 4.919 -10.568 1.00 21.81 H new ATOM 0 HB2 LYS A 64 -4.036 3.294 -12.562 1.00 26.39 H new ATOM 0 HB3 LYS A 64 -3.998 4.797 -12.978 1.00 26.39 H new ATOM 0 HG2 LYS A 64 -2.655 5.279 -11.027 1.00 41.82 H new ATOM 0 HG3 LYS A 64 -2.656 3.762 -10.668 1.00 41.82 H new ATOM 0 HD2 LYS A 64 -0.649 3.979 -11.688 1.00 44.03 H new ATOM 0 HD3 LYS A 64 -1.524 3.417 -12.850 1.00 44.03 H new ATOM 0 HE2 LYS A 64 -0.270 5.187 -13.637 1.00 45.01 H new ATOM 0 HE3 LYS A 64 -1.786 5.538 -13.741 1.00 45.01 H new ATOM 0 HZ1 LYS A 64 -0.332 7.248 -12.953 1.00 46.00 H new ATOM 0 HZ2 LYS A 64 -1.578 7.102 -12.220 1.00 46.00 H new ATOM 0 HZ3 LYS A 64 -0.344 6.569 -11.669 1.00 46.00 H new ATOM 528 N LEU A 65 -6.661 6.521 -11.579 1.00 21.44 N ANISOU 528 N LEU A 65 2951 3020 2174 -72 157 -47 N ATOM 529 CA LEU A 65 -7.475 7.450 -12.391 1.00 23.19 C ANISOU 529 CA LEU A 65 3158 3221 2432 -97 223 -22 C ATOM 530 C LEU A 65 -6.661 8.358 -13.236 1.00 22.67 C ANISOU 530 C LEU A 65 3024 3220 2369 -137 225 -17 C ATOM 531 O LEU A 65 -5.648 8.913 -12.795 1.00 24.68 O ANISOU 531 O LEU A 65 3267 3508 2603 -178 201 -33 O ATOM 532 CB LEU A 65 -8.358 8.405 -11.490 1.00 30.08 C ANISOU 532 CB LEU A 65 4112 4003 3316 -143 280 -13 C ATOM 533 CG LEU A 65 -9.578 7.832 -10.844 1.00 33.12 C ANISOU 533 CG LEU A 65 4563 4309 3710 -121 316 -10 C ATOM 534 CD1 LEU A 65 -8.997 6.670 -10.258 1.00 35.93 C ANISOU 534 CD1 LEU A 65 4941 4689 4023 -92 257 -24 C ATOM 535 CD2 LEU A 65 -10.010 8.839 -9.769 1.00 30.69 C ANISOU 535 CD2 LEU A 65 4330 3933 3399 -175 368 -22 C ATOM 0 H LEU A 65 -6.494 6.779 -10.776 1.00 21.44 H new ATOM 0 HA LEU A 65 -8.017 6.862 -12.941 1.00 23.19 H new ATOM 0 HB2 LEU A 65 -7.790 8.761 -10.789 1.00 30.08 H new ATOM 0 HB3 LEU A 65 -8.637 9.156 -12.037 1.00 30.08 H new ATOM 0 HG LEU A 65 -10.351 7.648 -11.401 1.00 33.12 H new ATOM 0 HD11 LEU A 65 -9.680 6.170 -9.785 1.00 35.93 H new ATOM 0 HD12 LEU A 65 -8.614 6.114 -10.954 1.00 35.93 H new ATOM 0 HD13 LEU A 65 -8.301 6.934 -9.636 1.00 35.93 H new ATOM 0 HD21 LEU A 65 -10.803 8.511 -9.318 1.00 30.69 H new ATOM 0 HD22 LEU A 65 -9.294 8.951 -9.124 1.00 30.69 H new ATOM 0 HD23 LEU A 65 -10.205 9.693 -10.185 1.00 30.69 H new ATOM 536 N GLU A 66 -7.103 8.530 -14.475 1.00 20.22 N ANISOU 536 N GLU A 66 2670 2930 2082 -131 251 6 N ATOM 537 CA GLU A 66 -6.474 9.428 -15.377 1.00 22.11 C ANISOU 537 CA GLU A 66 2856 3227 2319 -179 262 21 C ATOM 538 C GLU A 66 -6.423 10.859 -14.949 1.00 26.87 C ANISOU 538 C GLU A 66 3493 3785 2933 -251 286 40 C ATOM 539 O GLU A 66 -5.395 11.558 -15.273 1.00 29.24 O ANISOU 539 O GLU A 66 3749 4144 3217 -306 279 40 O ATOM 540 CB GLU A 66 -7.061 9.340 -16.774 1.00 21.35 C ANISOU 540 CB GLU A 66 2724 3154 2234 -165 280 50 C ATOM 541 CG GLU A 66 -6.119 9.906 -17.846 1.00 26.43 C ANISOU 541 CG GLU A 66 3302 3890 2851 -214 284 59 C ATOM 542 CD GLU A 66 -6.802 9.922 -19.203 1.00 28.33 C ANISOU 542 CD GLU A 66 3528 4147 3091 -212 300 95 C ATOM 543 OE1 GLU A 66 -8.077 10.100 -19.253 1.00 27.28 O ANISOU 543 OE1 GLU A 66 3441 3928 2996 -195 309 130 O ATOM 544 OE2 GLU A 66 -6.090 9.721 -20.199 1.00 25.38 O ANISOU 544 OE2 GLU A 66 3095 3870 2677 -226 301 85 O ATOM 0 H GLU A 66 -7.783 8.118 -14.802 1.00 20.22 H new ATOM 0 HA GLU A 66 -5.554 9.119 -15.379 1.00 22.11 H new ATOM 0 HB2 GLU A 66 -7.260 8.413 -16.980 1.00 21.35 H new ATOM 0 HB3 GLU A 66 -7.902 9.823 -16.799 1.00 21.35 H new ATOM 0 HG2 GLU A 66 -5.849 10.805 -17.604 1.00 26.43 H new ATOM 0 HG3 GLU A 66 -5.312 9.369 -17.891 1.00 26.43 H new ATOM 545 N THR A 67 -7.413 11.316 -14.192 1.00 27.85 N ANISOU 545 N THR A 67 3689 3809 3085 -256 316 49 N ATOM 546 CA THR A 67 -7.377 12.656 -13.626 1.00 32.15 C ANISOU 546 CA THR A 67 4273 4297 3646 -319 338 54 C ATOM 547 C THR A 67 -6.310 12.777 -12.573 1.00 35.92 C ANISOU 547 C THR A 67 4767 4798 4083 -353 308 17 C ATOM 548 O THR A 67 -5.926 13.877 -12.286 1.00 38.42 O ANISOU 548 O THR A 67 5099 5093 4404 -415 314 16 O ATOM 549 CB THR A 67 -8.690 13.120 -12.981 1.00 38.69 C ANISOU 549 CB THR A 67 5171 5011 4521 -314 385 56 C ATOM 550 OG1 THR A 67 -9.203 12.095 -12.179 1.00 36.41 O ANISOU 550 OG1 THR A 67 4920 4698 4216 -269 390 30 O ATOM 551 CG2 THR A 67 -9.699 13.463 -13.993 1.00 41.51 C ANISOU 551 CG2 THR A 67 5510 5328 4936 -298 407 97 C ATOM 0 H THR A 67 -8.117 10.863 -13.994 1.00 27.85 H new ATOM 0 HA THR A 67 -7.198 13.221 -14.394 1.00 32.15 H new ATOM 0 HB THR A 67 -8.495 13.910 -12.453 1.00 38.69 H new ATOM 0 HG1 THR A 67 -9.856 11.736 -12.566 1.00 36.41 H new ATOM 0 HG21 THR A 67 -10.514 13.751 -13.553 1.00 41.51 H new ATOM 0 HG22 THR A 67 -9.364 14.180 -14.554 1.00 41.51 H new ATOM 0 HG23 THR A 67 -9.886 12.685 -14.541 1.00 41.51 H new ATOM 552 N LEU A 68 -5.845 11.677 -12.000 1.00 29.76 N ANISOU 552 N LEU A 68 3987 4055 3265 -315 267 -12 N ATOM 553 CA LEU A 68 -4.746 11.833 -11.074 1.00 30.70 C ANISOU 553 CA LEU A 68 4115 4202 3347 -350 221 -44 C ATOM 554 C LEU A 68 -3.412 11.415 -11.702 1.00 28.17 C ANISOU 554 C LEU A 68 3697 3993 3015 -346 171 -59 C ATOM 555 O LEU A 68 -2.491 11.025 -10.976 1.00 30.32 O ANISOU 555 O LEU A 68 3960 4299 3262 -345 111 -90 O ATOM 556 CB LEU A 68 -5.004 11.022 -9.824 1.00 27.16 C ANISOU 556 CB LEU A 68 3743 3713 2863 -321 197 -67 C ATOM 557 CG LEU A 68 -6.247 11.495 -9.090 1.00 32.99 C ANISOU 557 CG LEU A 68 4576 4350 3610 -335 260 -65 C ATOM 558 CD1 LEU A 68 -6.592 10.555 -7.943 1.00 30.97 C ANISOU 558 CD1 LEU A 68 4402 4060 3307 -312 245 -81 C ATOM 559 CD2 LEU A 68 -6.098 12.889 -8.599 1.00 36.57 C ANISOU 559 CD2 LEU A 68 5065 4760 4068 -407 285 -78 C ATOM 0 H LEU A 68 -6.133 10.876 -12.125 1.00 29.76 H new ATOM 0 HA LEU A 68 -4.684 12.773 -10.845 1.00 30.70 H new ATOM 0 HB2 LEU A 68 -5.105 10.087 -10.061 1.00 27.16 H new ATOM 0 HB3 LEU A 68 -4.237 11.085 -9.234 1.00 27.16 H new ATOM 0 HG LEU A 68 -6.979 11.485 -9.726 1.00 32.99 H new ATOM 0 HD11 LEU A 68 -7.387 10.876 -7.489 1.00 30.97 H new ATOM 0 HD12 LEU A 68 -6.756 9.665 -8.292 1.00 30.97 H new ATOM 0 HD13 LEU A 68 -5.853 10.525 -7.316 1.00 30.97 H new ATOM 0 HD21 LEU A 68 -6.907 13.158 -8.137 1.00 36.57 H new ATOM 0 HD22 LEU A 68 -5.346 12.939 -7.989 1.00 36.57 H new ATOM 0 HD23 LEU A 68 -5.943 13.482 -9.351 1.00 36.57 H new ATOM 560 N SER A 69 -3.316 11.479 -13.011 1.00 27.14 N ANISOU 560 N SER A 69 3493 3918 2902 -344 193 -40 N ATOM 561 CA SER A 69 -2.039 11.090 -13.727 1.00 32.20 C ANISOU 561 CA SER A 69 4025 4675 3534 -344 161 -64 C ATOM 562 C SER A 69 -1.540 12.244 -14.536 1.00 34.13 C ANISOU 562 C SER A 69 4224 4960 3784 -424 195 -42 C ATOM 563 O SER A 69 -2.371 12.948 -15.165 1.00 34.88 O ANISOU 563 O SER A 69 4351 5010 3893 -450 241 4 O ATOM 564 CB SER A 69 -2.368 10.002 -14.788 1.00 31.72 C ANISOU 564 CB SER A 69 3916 4661 3477 -275 169 -66 C ATOM 565 OG SER A 69 -1.247 9.710 -15.617 1.00 33.56 O ANISOU 565 OG SER A 69 4041 5007 3704 -277 159 -96 O ATOM 0 H SER A 69 -3.952 11.738 -13.529 1.00 27.14 H new ATOM 0 HA SER A 69 -1.398 10.798 -13.060 1.00 32.20 H new ATOM 0 HB2 SER A 69 -2.658 9.192 -14.340 1.00 31.72 H new ATOM 0 HB3 SER A 69 -3.108 10.302 -15.339 1.00 31.72 H new ATOM 0 HG SER A 69 -1.511 9.536 -16.395 1.00 33.56 H new ATOM 566 N THR A 70 -0.230 12.418 -14.683 1.00 37.38 N ANISOU 566 N THR A 70 4553 5459 4190 -465 172 -70 N ATOM 567 CA THR A 70 0.271 13.460 -15.568 1.00 38.91 C ANISOU 567 CA THR A 70 4699 5700 4384 -551 211 -45 C ATOM 568 C THR A 70 0.361 13.090 -17.008 1.00 41.50 C ANISOU 568 C THR A 70 4957 6113 4698 -544 248 -35 C ATOM 569 O THR A 70 0.600 13.939 -17.819 1.00 47.72 O ANISOU 569 O THR A 70 5723 6933 5477 -620 286 -2 O ATOM 570 CB THR A 70 1.669 13.903 -15.232 1.00 45.63 C ANISOU 570 CB THR A 70 5481 6618 5239 -614 183 -80 C ATOM 571 OG1 THR A 70 2.415 12.786 -14.792 1.00 49.50 O ANISOU 571 OG1 THR A 70 5909 7166 5731 -550 126 -138 O ATOM 572 CG2 THR A 70 1.639 14.923 -14.160 1.00 45.65 C ANISOU 572 CG2 THR A 70 5557 6537 5249 -675 166 -73 C ATOM 0 H THR A 70 0.375 11.952 -14.287 1.00 37.38 H new ATOM 0 HA THR A 70 -0.395 14.151 -15.428 1.00 38.91 H new ATOM 0 HB THR A 70 2.079 14.288 -16.022 1.00 45.63 H new ATOM 0 HG1 THR A 70 3.197 13.028 -14.604 1.00 49.50 H new ATOM 0 HG21 THR A 70 2.545 15.201 -13.952 1.00 45.65 H new ATOM 0 HG22 THR A 70 1.126 15.691 -14.458 1.00 45.65 H new ATOM 0 HG23 THR A 70 1.226 14.547 -13.367 1.00 45.65 H new ATOM 573 N GLU A 71 0.199 11.825 -17.323 1.00 34.41 N ANISOU 573 N GLU A 71 4028 5252 3794 -458 236 -65 N ATOM 574 CA GLU A 71 0.314 11.374 -18.696 1.00 33.22 C ANISOU 574 CA GLU A 71 3812 5190 3622 -448 271 -69 C ATOM 575 C GLU A 71 -1.026 10.700 -18.996 1.00 30.12 C ANISOU 575 C GLU A 71 3482 4733 3228 -376 276 -44 C ATOM 576 O GLU A 71 -1.579 10.073 -18.101 1.00 29.14 O ANISOU 576 O GLU A 71 3409 4540 3124 -313 243 -56 O ATOM 577 CB GLU A 71 1.426 10.335 -18.855 1.00 35.52 C ANISOU 577 CB GLU A 71 3992 5587 3916 -401 249 -146 C ATOM 0 H GLU A 71 0.021 11.204 -16.755 1.00 34.41 H new ATOM 0 HA GLU A 71 0.523 12.114 -19.288 1.00 33.22 H new ATOM 578 N PRO A 72 -1.507 10.891 -20.202 1.00 32.75 N ANISOU 578 N PRO A 72 3815 5091 3538 -397 315 -9 N ATOM 579 CA PRO A 72 -2.829 10.368 -20.582 1.00 32.34 C ANISOU 579 CA PRO A 72 3820 4979 3491 -339 315 19 C ATOM 580 C PRO A 72 -2.674 8.837 -20.766 1.00 25.29 C ANISOU 580 C PRO A 72 2880 4136 2594 -248 294 -45 C ATOM 581 O PRO A 72 -1.568 8.337 -21.067 1.00 26.99 O ANISOU 581 O PRO A 72 3009 4452 2796 -241 293 -103 O ATOM 582 CB PRO A 72 -3.089 11.047 -21.933 1.00 32.75 C ANISOU 582 CB PRO A 72 3872 5065 3506 -401 352 72 C ATOM 583 CG PRO A 72 -1.667 11.442 -22.406 1.00 40.78 C ANISOU 583 CG PRO A 72 4808 6201 4488 -475 379 47 C ATOM 584 CD PRO A 72 -0.959 11.813 -21.204 1.00 39.63 C ANISOU 584 CD PRO A 72 4651 6032 4375 -492 357 22 C ATOM 0 HA PRO A 72 -3.542 10.531 -19.945 1.00 32.34 H new ATOM 0 HB2 PRO A 72 -3.522 10.446 -22.559 1.00 32.75 H new ATOM 0 HB3 PRO A 72 -3.665 11.822 -21.840 1.00 32.75 H new ATOM 0 HG2 PRO A 72 -1.229 10.703 -22.857 1.00 40.78 H new ATOM 0 HG3 PRO A 72 -1.699 12.179 -23.036 1.00 40.78 H new ATOM 0 HD2 PRO A 72 -0.000 11.706 -21.304 1.00 39.63 H new ATOM 0 HD3 PRO A 72 -1.118 12.740 -20.965 1.00 39.63 H new ATOM 585 N PHE A 73 -3.779 8.118 -20.585 1.00 25.02 N ANISOU 585 N PHE A 73 2899 4029 2579 -181 277 -37 N ATOM 586 CA PHE A 73 -3.802 6.672 -20.768 1.00 21.49 C ANISOU 586 CA PHE A 73 2422 3607 2136 -96 252 -90 C ATOM 587 C PHE A 73 -4.287 6.371 -22.192 1.00 21.67 C ANISOU 587 C PHE A 73 2429 3676 2127 -91 276 -84 C ATOM 588 O PHE A 73 -5.055 7.157 -22.798 1.00 21.42 O ANISOU 588 O PHE A 73 2440 3616 2083 -137 298 -22 O ATOM 589 CB PHE A 73 -4.841 6.064 -19.771 1.00 19.63 C ANISOU 589 CB PHE A 73 2263 3259 1938 -37 222 -79 C ATOM 590 CG PHE A 73 -4.515 6.261 -18.309 1.00 20.96 C ANISOU 590 CG PHE A 73 2468 3374 2123 -41 195 -84 C ATOM 591 CD1 PHE A 73 -3.246 6.641 -17.916 1.00 25.62 C ANISOU 591 CD1 PHE A 73 3009 4021 2704 -74 179 -112 C ATOM 592 CD2 PHE A 73 -5.496 6.062 -17.322 1.00 19.04 C ANISOU 592 CD2 PHE A 73 2309 3025 1902 -18 187 -63 C ATOM 593 CE1 PHE A 73 -2.883 6.802 -16.523 1.00 26.16 C ANISOU 593 CE1 PHE A 73 3117 4043 2780 -82 141 -119 C ATOM 594 CE2 PHE A 73 -5.166 6.190 -15.973 1.00 20.55 C ANISOU 594 CE2 PHE A 73 2543 3173 2092 -28 161 -71 C ATOM 595 CZ PHE A 73 -3.854 6.624 -15.588 1.00 24.32 C ANISOU 595 CZ PHE A 73 2978 3709 2555 -63 135 -96 C ATOM 0 H PHE A 73 -4.535 8.456 -20.353 1.00 25.02 H new ATOM 0 HA PHE A 73 -2.919 6.300 -20.617 1.00 21.49 H new ATOM 0 HB2 PHE A 73 -5.709 6.457 -19.951 1.00 19.63 H new ATOM 0 HB3 PHE A 73 -4.918 5.113 -19.946 1.00 19.63 H new ATOM 0 HD1 PHE A 73 -2.603 6.799 -18.569 1.00 25.62 H new ATOM 0 HD2 PHE A 73 -6.366 5.845 -17.569 1.00 19.04 H new ATOM 0 HE1 PHE A 73 -2.013 7.020 -16.276 1.00 26.16 H new ATOM 0 HE2 PHE A 73 -5.799 5.993 -15.321 1.00 20.55 H new ATOM 0 HZ PHE A 73 -3.666 6.785 -14.692 1.00 24.32 H new ATOM 596 N ASN A 74 -3.993 5.186 -22.722 1.00 18.86 N ANISOU 596 N ASN A 74 2024 3378 1763 -30 265 -147 N ATOM 597 CA ASN A 74 -4.548 4.768 -24.042 1.00 20.33 C ANISOU 597 CA ASN A 74 2208 3604 1914 -21 283 -150 C ATOM 598 C ASN A 74 -6.076 4.823 -24.051 1.00 20.43 C ANISOU 598 C ASN A 74 2301 3513 1948 -7 268 -90 C ATOM 599 O ASN A 74 -6.706 5.281 -25.028 1.00 19.53 O ANISOU 599 O ASN A 74 2210 3407 1804 -44 282 -46 O ATOM 600 CB ASN A 74 -4.076 3.410 -24.365 1.00 21.06 C ANISOU 600 CB ASN A 74 2243 3751 2009 53 267 -237 C ATOM 601 CG ASN A 74 -2.547 3.444 -24.633 1.00 31.13 C ANISOU 601 CG ASN A 74 3418 5146 3265 33 292 -303 C ATOM 602 OD1 ASN A 74 -2.054 4.369 -25.327 1.00 28.71 O ANISOU 602 OD1 ASN A 74 3084 4916 2909 -52 342 -283 O ATOM 603 ND2 ASN A 74 -1.786 2.576 -23.938 1.00 29.80 N ANISOU 603 ND2 ASN A 74 3196 4984 3144 101 253 -373 N ATOM 0 H ASN A 74 -3.481 4.604 -22.349 1.00 18.86 H new ATOM 0 HA ASN A 74 -4.233 5.388 -24.718 1.00 20.33 H new ATOM 0 HB2 ASN A 74 -4.272 2.806 -23.632 1.00 21.06 H new ATOM 0 HB3 ASN A 74 -4.543 3.071 -25.145 1.00 21.06 H new ATOM 0 HD21 ASN A 74 -0.929 2.643 -23.959 1.00 29.80 H new ATOM 0 HD22 ASN A 74 -2.157 1.955 -23.473 1.00 29.80 H new ATOM 604 N ILE A 75 -6.678 4.351 -22.982 1.00 17.16 N ANISOU 604 N ILE A 75 1929 3004 1587 43 239 -88 N ATOM 605 CA ILE A 75 -8.124 4.414 -22.836 1.00 17.79 C ANISOU 605 CA ILE A 75 2075 2983 1703 55 232 -39 C ATOM 606 C ILE A 75 -8.721 5.815 -22.845 1.00 18.72 C ANISOU 606 C ILE A 75 2232 3049 1830 -10 253 36 C ATOM 607 O ILE A 75 -9.752 5.992 -23.331 1.00 21.94 O ANISOU 607 O ILE A 75 2668 3411 2255 -11 248 75 O ATOM 608 CB ILE A 75 -8.622 3.630 -21.609 1.00 17.72 C ANISOU 608 CB ILE A 75 2104 2884 1744 111 207 -53 C ATOM 609 CG1 ILE A 75 -10.123 3.445 -21.632 1.00 17.67 C ANISOU 609 CG1 ILE A 75 2146 2787 1779 128 205 -18 C ATOM 610 CG2 ILE A 75 -8.141 4.254 -20.303 1.00 18.59 C ANISOU 610 CG2 ILE A 75 2239 2957 1866 85 210 -43 C ATOM 611 CD1 ILE A 75 -10.502 2.364 -20.884 1.00 20.97 C ANISOU 611 CD1 ILE A 75 2589 3149 2230 182 183 -43 C ATOM 0 H ILE A 75 -6.268 3.986 -22.320 1.00 17.16 H new ATOM 0 HA ILE A 75 -8.449 3.985 -23.643 1.00 17.79 H new ATOM 0 HB ILE A 75 -8.229 2.745 -21.658 1.00 17.72 H new ATOM 0 HG12 ILE A 75 -10.555 4.244 -21.291 1.00 17.67 H new ATOM 0 HG13 ILE A 75 -10.423 3.329 -22.547 1.00 17.67 H new ATOM 0 HG21 ILE A 75 -8.473 3.735 -19.554 1.00 18.59 H new ATOM 0 HG22 ILE A 75 -7.171 4.262 -20.286 1.00 18.59 H new ATOM 0 HG23 ILE A 75 -8.472 5.163 -20.237 1.00 18.59 H new ATOM 0 HD11 ILE A 75 -11.467 2.270 -20.917 1.00 20.97 H new ATOM 0 HD12 ILE A 75 -10.087 1.563 -21.240 1.00 20.97 H new ATOM 0 HD13 ILE A 75 -10.221 2.492 -19.964 1.00 20.97 H new ATOM 612 N GLY A 76 -8.043 6.763 -22.265 1.00 18.28 N ANISOU 612 N GLY A 76 2178 2997 1772 -60 269 51 N ATOM 613 CA GLY A 76 -8.456 8.141 -22.183 1.00 21.13 C ANISOU 613 CA GLY A 76 2577 3302 2150 -122 285 115 C ATOM 614 C GLY A 76 -8.375 8.740 -23.559 1.00 22.88 C ANISOU 614 C GLY A 76 2785 3583 2326 -176 293 155 C ATOM 615 O GLY A 76 -9.296 9.421 -23.940 1.00 25.50 O ANISOU 615 O GLY A 76 3155 3853 2681 -197 286 214 O ATOM 0 H GLY A 76 -7.285 6.619 -21.885 1.00 18.28 H new ATOM 0 HA2 GLY A 76 -9.361 8.203 -21.840 1.00 21.13 H new ATOM 0 HA3 GLY A 76 -7.886 8.629 -21.568 1.00 21.13 H new ATOM 616 N GLU A 77 -7.298 8.504 -24.300 1.00 22.47 N ANISOU 616 N GLU A 77 2679 3649 2211 -200 308 122 N ATOM 617 CA GLU A 77 -7.229 9.050 -25.647 1.00 24.29 C ANISOU 617 CA GLU A 77 2907 3942 2380 -263 320 163 C ATOM 618 C GLU A 77 -8.297 8.483 -26.528 1.00 26.21 C ANISOU 618 C GLU A 77 3176 4169 2615 -228 295 179 C ATOM 619 O GLU A 77 -8.836 9.168 -27.394 1.00 32.34 O ANISOU 619 O GLU A 77 3988 4935 3367 -276 283 245 O ATOM 620 CB GLU A 77 -5.859 8.642 -26.286 1.00 28.72 C ANISOU 620 CB GLU A 77 3394 4647 2870 -288 353 103 C ATOM 0 H GLU A 77 -6.616 8.044 -24.050 1.00 22.47 H new ATOM 0 HA GLU A 77 -7.337 10.012 -25.579 1.00 24.29 H new ATOM 621 N PHE A 78 -8.553 7.194 -26.447 1.00 25.71 N ANISOU 621 N PHE A 78 3094 4110 2563 -151 280 120 N ATOM 622 CA PHE A 78 -9.621 6.634 -27.211 1.00 22.55 C ANISOU 622 CA PHE A 78 2719 3687 2164 -119 249 132 C ATOM 623 C PHE A 78 -10.984 7.301 -26.903 1.00 26.48 C ANISOU 623 C PHE A 78 3270 4058 2733 -118 221 204 C ATOM 624 O PHE A 78 -11.731 7.603 -27.848 1.00 28.16 O ANISOU 624 O PHE A 78 3509 4260 2932 -139 192 254 O ATOM 625 CB PHE A 78 -9.829 5.131 -26.913 1.00 20.76 C ANISOU 625 CB PHE A 78 2472 3453 1963 -31 231 57 C ATOM 626 CG PHE A 78 -11.028 4.560 -27.576 1.00 26.83 C ANISOU 626 CG PHE A 78 3267 4183 2746 1 195 69 C ATOM 627 CD1 PHE A 78 -11.123 4.502 -28.950 1.00 33.51 C ANISOU 627 CD1 PHE A 78 4115 5097 3520 -28 184 75 C ATOM 628 CD2 PHE A 78 -12.116 4.120 -26.840 1.00 27.00 C ANISOU 628 CD2 PHE A 78 3313 4097 2850 51 171 76 C ATOM 629 CE1 PHE A 78 -12.298 4.024 -29.545 1.00 34.40 C ANISOU 629 CE1 PHE A 78 4255 5167 3650 -2 139 88 C ATOM 630 CE2 PHE A 78 -13.271 3.550 -27.477 1.00 31.12 C ANISOU 630 CE2 PHE A 78 3850 4581 3394 78 132 84 C ATOM 631 CZ PHE A 78 -13.312 3.535 -28.840 1.00 33.03 C ANISOU 631 CZ PHE A 78 4093 4891 3566 51 112 90 C ATOM 0 H PHE A 78 -8.119 6.636 -25.957 1.00 25.71 H new ATOM 0 HA PHE A 78 -9.356 6.782 -28.132 1.00 22.55 H new ATOM 0 HB2 PHE A 78 -9.044 4.639 -27.200 1.00 20.76 H new ATOM 0 HB3 PHE A 78 -9.907 5.006 -25.954 1.00 20.76 H new ATOM 0 HD1 PHE A 78 -10.410 4.779 -29.480 1.00 33.51 H new ATOM 0 HD2 PHE A 78 -12.098 4.195 -25.913 1.00 27.00 H new ATOM 0 HE1 PHE A 78 -12.371 4.050 -30.472 1.00 34.40 H new ATOM 0 HE2 PHE A 78 -13.971 3.201 -26.974 1.00 31.12 H new ATOM 0 HZ PHE A 78 -14.052 3.181 -29.277 1.00 33.03 H new ATOM 632 N LEU A 79 -11.321 7.380 -25.625 1.00 18.25 N ANISOU 632 N LEU A 79 2242 2927 1766 -88 226 200 N ATOM 633 CA LEU A 79 -12.653 7.945 -25.215 1.00 19.80 C ANISOU 633 CA LEU A 79 2476 2999 2047 -78 210 252 C ATOM 634 C LEU A 79 -12.704 9.440 -25.589 1.00 25.65 C ANISOU 634 C LEU A 79 3244 3713 2791 -148 207 327 C ATOM 635 O LEU A 79 -13.752 9.934 -25.996 1.00 29.04 O ANISOU 635 O LEU A 79 3695 4071 3267 -149 175 380 O ATOM 636 CB LEU A 79 -12.897 7.735 -23.715 1.00 20.76 C ANISOU 636 CB LEU A 79 2610 3041 2235 -42 231 223 C ATOM 637 CG LEU A 79 -13.290 6.292 -23.484 1.00 22.49 C ANISOU 637 CG LEU A 79 2820 3255 2469 25 219 172 C ATOM 638 CD1 LEU A 79 -13.170 5.940 -21.960 1.00 24.96 C ANISOU 638 CD1 LEU A 79 3153 3515 2817 50 241 139 C ATOM 639 CD2 LEU A 79 -14.708 6.009 -23.978 1.00 23.25 C ANISOU 639 CD2 LEU A 79 2924 3288 2621 51 192 195 C ATOM 0 H LEU A 79 -10.821 7.124 -24.974 1.00 18.25 H new ATOM 0 HA LEU A 79 -13.361 7.479 -25.687 1.00 19.80 H new ATOM 0 HB2 LEU A 79 -12.097 7.950 -23.211 1.00 20.76 H new ATOM 0 HB3 LEU A 79 -13.598 8.328 -23.402 1.00 20.76 H new ATOM 0 HG LEU A 79 -12.682 5.733 -23.993 1.00 22.49 H new ATOM 0 HD11 LEU A 79 -13.423 5.014 -21.821 1.00 24.96 H new ATOM 0 HD12 LEU A 79 -12.254 6.072 -21.668 1.00 24.96 H new ATOM 0 HD13 LEU A 79 -13.758 6.516 -21.447 1.00 24.96 H new ATOM 0 HD21 LEU A 79 -14.928 5.078 -23.815 1.00 23.25 H new ATOM 0 HD22 LEU A 79 -15.335 6.577 -23.504 1.00 23.25 H new ATOM 0 HD23 LEU A 79 -14.762 6.192 -24.929 1.00 23.25 H new ATOM 640 N ARG A 80 -11.634 10.184 -25.461 1.00 23.95 N ANISOU 640 N ARG A 80 3023 3542 2534 -205 233 334 N ATOM 641 CA ARG A 80 -11.749 11.604 -25.807 1.00 31.64 C ANISOU 641 CA ARG A 80 4030 4473 3518 -274 224 411 C ATOM 642 C ARG A 80 -11.925 11.810 -27.278 1.00 31.53 C ANISOU 642 C ARG A 80 4029 4507 3442 -315 191 465 C ATOM 643 O ARG A 80 -12.681 12.679 -27.706 1.00 36.28 O ANISOU 643 O ARG A 80 4669 5036 4080 -341 153 539 O ATOM 644 CB ARG A 80 -10.526 12.404 -25.362 1.00 32.40 C ANISOU 644 CB ARG A 80 4119 4606 3584 -339 258 409 C ATOM 645 CG ARG A 80 -10.571 12.697 -23.862 1.00 33.30 C ANISOU 645 CG ARG A 80 4246 4637 3770 -318 278 380 C ATOM 646 CD ARG A 80 -9.380 13.564 -23.363 1.00 38.57 C ANISOU 646 CD ARG A 80 4910 5333 4414 -388 303 377 C ATOM 647 NE ARG A 80 -8.138 12.770 -23.397 1.00 34.20 N ANISOU 647 NE ARG A 80 4300 4902 3793 -388 321 317 N ATOM 648 CZ ARG A 80 -7.779 11.931 -22.410 1.00 30.44 C ANISOU 648 CZ ARG A 80 3803 4436 3327 -336 325 250 C ATOM 649 NH1 ARG A 80 -8.514 11.848 -21.285 1.00 29.36 N ANISOU 649 NH1 ARG A 80 3705 4199 3251 -293 322 237 N ATOM 650 NH2 ARG A 80 -6.631 11.208 -22.539 1.00 27.88 N ANISOU 650 NH2 ARG A 80 3418 4222 2952 -331 331 194 N ATOM 0 H ARG A 80 -10.862 9.918 -25.191 1.00 23.95 H new ATOM 0 HA ARG A 80 -12.535 11.921 -25.336 1.00 31.64 H new ATOM 0 HB2 ARG A 80 -9.719 11.909 -25.573 1.00 32.40 H new ATOM 0 HB3 ARG A 80 -10.485 13.238 -25.856 1.00 32.40 H new ATOM 0 HG2 ARG A 80 -11.402 13.151 -23.653 1.00 33.30 H new ATOM 0 HG3 ARG A 80 -10.577 11.858 -23.376 1.00 33.30 H new ATOM 0 HD2 ARG A 80 -9.286 14.352 -23.921 1.00 38.57 H new ATOM 0 HD3 ARG A 80 -9.551 13.875 -22.460 1.00 38.57 H new ATOM 0 HE ARG A 80 -7.620 12.847 -24.079 1.00 34.20 H new ATOM 0 HH11 ARG A 80 -9.218 12.334 -21.195 1.00 29.36 H new ATOM 0 HH12 ARG A 80 -8.279 11.309 -20.657 1.00 29.36 H new ATOM 0 HH21 ARG A 80 -6.147 11.292 -23.245 1.00 27.88 H new ATOM 0 HH22 ARG A 80 -6.391 10.668 -21.914 1.00 27.88 H new ATOM 651 N ASN A 81 -11.209 11.060 -28.086 1.00 23.55 N ANISOU 651 N ASN A 81 2992 3619 2337 -325 204 430 N ATOM 652 CA ASN A 81 -11.377 11.183 -29.522 1.00 24.81 C ANISOU 652 CA ASN A 81 3174 3834 2418 -371 175 477 C ATOM 653 C ASN A 81 -12.676 10.589 -30.112 1.00 23.05 C ANISOU 653 C ASN A 81 2971 3566 2223 -320 116 492 C ATOM 654 O ASN A 81 -13.035 10.915 -31.276 1.00 23.54 O ANISOU 654 O ASN A 81 3069 3648 2229 -364 72 551 O ATOM 655 CB ASN A 81 -10.177 10.564 -30.216 1.00 25.05 C ANISOU 655 CB ASN A 81 3166 4017 2334 -402 218 421 C ATOM 656 CG ASN A 81 -8.860 11.294 -29.813 1.00 30.07 C ANISOU 656 CG ASN A 81 3775 4707 2942 -471 273 415 C ATOM 657 OD1 ASN A 81 -8.890 12.457 -29.411 1.00 35.38 O ANISOU 657 OD1 ASN A 81 4480 5310 3654 -520 268 478 O ATOM 658 ND2 ASN A 81 -7.788 10.693 -30.077 1.00 33.47 N ANISOU 658 ND2 ASN A 81 4153 5259 3307 -481 318 347 N ATOM 0 H ASN A 81 -10.627 10.480 -27.832 1.00 23.55 H new ATOM 0 HA ASN A 81 -11.448 12.136 -29.686 1.00 24.81 H new ATOM 0 HB2 ASN A 81 -10.114 9.624 -29.984 1.00 25.05 H new ATOM 0 HB3 ASN A 81 -10.296 10.611 -31.178 1.00 25.05 H new ATOM 0 HD21 ASN A 81 -7.034 11.095 -29.979 1.00 33.47 H new ATOM 0 HD22 ASN A 81 -7.808 9.880 -30.356 1.00 33.47 H new ATOM 659 N ASN A 82 -13.297 9.666 -29.354 1.00 24.36 N ANISOU 659 N ASN A 82 3114 3680 2463 -235 112 436 N ATOM 660 CA ASN A 82 -14.543 9.028 -29.796 1.00 26.22 C ANISOU 660 CA ASN A 82 3356 3867 2739 -185 58 441 C ATOM 661 C ASN A 82 -15.692 9.258 -28.841 1.00 28.06 C ANISOU 661 C ASN A 82 3591 3964 3108 -136 42 456 C ATOM 662 O ASN A 82 -16.563 8.372 -28.724 1.00 29.07 O ANISOU 662 O ASN A 82 3703 4054 3289 -78 20 424 O ATOM 663 CB ASN A 82 -14.289 7.555 -29.942 1.00 20.30 C ANISOU 663 CB ASN A 82 2574 3188 1949 -134 69 354 C ATOM 664 CG ASN A 82 -13.154 7.321 -30.971 1.00 22.22 C ANISOU 664 CG ASN A 82 2809 3576 2058 -182 94 326 C ATOM 665 OD1 ASN A 82 -13.349 7.338 -32.239 1.00 23.25 O ANISOU 665 OD1 ASN A 82 2966 3760 2108 -220 62 353 O ATOM 666 ND2 ASN A 82 -11.923 7.268 -30.416 1.00 21.13 N ANISOU 666 ND2 ASN A 82 2635 3499 1893 -191 153 277 N ATOM 0 H ASN A 82 -13.012 9.400 -28.587 1.00 24.36 H new ATOM 0 HA ASN A 82 -14.804 9.426 -30.641 1.00 26.22 H new ATOM 0 HB2 ASN A 82 -14.044 7.173 -29.085 1.00 20.30 H new ATOM 0 HB3 ASN A 82 -15.098 7.105 -30.232 1.00 20.30 H new ATOM 0 HD21 ASN A 82 -11.225 7.244 -30.918 1.00 21.13 H new ATOM 0 HD22 ASN A 82 -11.837 7.258 -29.560 1.00 21.13 H new ATOM 667 N LEU A 83 -15.689 10.434 -28.206 1.00 18.68 N ANISOU 667 N LEU A 83 2419 2702 1975 -165 55 499 N ATOM 668 CA LEU A 83 -16.642 10.620 -27.061 1.00 23.43 C ANISOU 668 CA LEU A 83 3014 3179 2709 -117 65 490 C ATOM 669 C LEU A 83 -18.088 10.501 -27.603 1.00 24.92 C ANISOU 669 C LEU A 83 3197 3293 2976 -82 1 522 C ATOM 670 O LEU A 83 -18.976 9.815 -27.029 1.00 24.29 O ANISOU 670 O LEU A 83 3093 3158 2980 -25 6 483 O ATOM 671 CB LEU A 83 -16.435 11.996 -26.579 1.00 30.35 C ANISOU 671 CB LEU A 83 3915 3992 3626 -160 79 534 C ATOM 672 CG LEU A 83 -17.266 12.389 -25.345 1.00 36.44 C ANISOU 672 CG LEU A 83 4682 4638 4525 -121 105 516 C ATOM 673 CD1 LEU A 83 -16.802 11.565 -24.232 1.00 34.17 C ANISOU 673 CD1 LEU A 83 4383 4377 4225 -92 165 440 C ATOM 674 CD2 LEU A 83 -16.948 13.852 -24.985 1.00 40.96 C ANISOU 674 CD2 LEU A 83 5283 5148 5131 -171 114 557 C ATOM 0 H LEU A 83 -15.186 11.106 -28.393 1.00 18.68 H new ATOM 0 HA LEU A 83 -16.501 9.965 -26.360 1.00 23.43 H new ATOM 0 HB2 LEU A 83 -15.495 12.112 -26.369 1.00 30.35 H new ATOM 0 HB3 LEU A 83 -16.642 12.611 -27.300 1.00 30.35 H new ATOM 0 HG LEU A 83 -18.213 12.273 -25.518 1.00 36.44 H new ATOM 0 HD11 LEU A 83 -17.306 11.786 -23.433 1.00 34.17 H new ATOM 0 HD12 LEU A 83 -16.932 10.628 -24.447 1.00 34.17 H new ATOM 0 HD13 LEU A 83 -15.859 11.733 -24.076 1.00 34.17 H new ATOM 0 HD21 LEU A 83 -17.466 14.114 -24.208 1.00 40.96 H new ATOM 0 HD22 LEU A 83 -16.002 13.939 -24.787 1.00 40.96 H new ATOM 0 HD23 LEU A 83 -17.176 14.426 -25.733 1.00 40.96 H new ATOM 675 N PHE A 84 -18.339 11.196 -28.702 1.00 20.48 N ANISOU 675 N PHE A 84 2660 2730 2392 -121 -63 595 N ATOM 676 CA PHE A 84 -19.725 11.108 -29.314 1.00 25.71 C ANISOU 676 CA PHE A 84 3314 3323 3133 -89 -143 630 C ATOM 677 C PHE A 84 -20.073 9.706 -29.807 1.00 24.13 C ANISOU 677 C PHE A 84 3092 3179 2898 -51 -164 580 C ATOM 678 O PHE A 84 -21.144 9.121 -29.457 1.00 22.83 O ANISOU 678 O PHE A 84 2892 2948 2833 3 -180 552 O ATOM 679 CB PHE A 84 -19.857 12.068 -30.485 1.00 28.04 C ANISOU 679 CB PHE A 84 3650 3610 3393 -143 -224 726 C ATOM 680 CG PHE A 84 -21.078 11.757 -31.376 1.00 31.28 C ANISOU 680 CG PHE A 84 4054 3983 3847 -117 -324 758 C ATOM 681 CD1 PHE A 84 -22.355 11.872 -30.856 1.00 32.21 C ANISOU 681 CD1 PHE A 84 4131 3981 4128 -59 -354 756 C ATOM 682 CD2 PHE A 84 -20.952 11.357 -32.675 1.00 33.01 C ANISOU 682 CD2 PHE A 84 4305 4288 3950 -151 -384 785 C ATOM 683 CE1 PHE A 84 -23.504 11.604 -31.692 1.00 36.17 C ANISOU 683 CE1 PHE A 84 4617 4446 4682 -35 -458 786 C ATOM 684 CE2 PHE A 84 -22.122 11.007 -33.493 1.00 36.68 C ANISOU 684 CE2 PHE A 84 4763 4717 4455 -126 -489 811 C ATOM 685 CZ PHE A 84 -23.359 11.165 -33.000 1.00 38.90 C ANISOU 685 CZ PHE A 84 4998 4877 4904 -69 -530 815 C ATOM 0 H PHE A 84 -17.779 11.704 -29.112 1.00 20.48 H new ATOM 0 HA PHE A 84 -20.341 11.344 -28.603 1.00 25.71 H new ATOM 0 HB2 PHE A 84 -19.930 12.975 -30.148 1.00 28.04 H new ATOM 0 HB3 PHE A 84 -19.051 12.029 -31.023 1.00 28.04 H new ATOM 0 HD1 PHE A 84 -22.474 12.122 -29.968 1.00 32.21 H new ATOM 0 HD2 PHE A 84 -20.104 11.305 -33.052 1.00 33.01 H new ATOM 0 HE1 PHE A 84 -24.358 11.729 -31.346 1.00 36.17 H new ATOM 0 HE2 PHE A 84 -22.004 10.675 -34.354 1.00 36.68 H new ATOM 0 HZ PHE A 84 -24.105 10.984 -33.525 1.00 38.90 H new ATOM 686 N LYS A 85 -19.222 9.116 -30.607 1.00 26.98 N ANISOU 686 N LYS A 85 3468 3659 3124 -79 -162 561 N ATOM 687 CA LYS A 85 -19.510 7.821 -31.144 1.00 26.21 C ANISOU 687 CA LYS A 85 3355 3613 2991 -46 -186 509 C ATOM 688 C LYS A 85 -19.718 6.722 -30.095 1.00 24.76 C ANISOU 688 C LYS A 85 3132 3402 2872 18 -138 428 C ATOM 689 O LYS A 85 -20.575 5.933 -30.236 1.00 28.68 O ANISOU 689 O LYS A 85 3611 3870 3418 55 -172 403 O ATOM 690 CB LYS A 85 -18.427 7.445 -32.126 1.00 30.90 C ANISOU 690 CB LYS A 85 3971 4344 3426 -90 -176 490 C ATOM 691 CG LYS A 85 -18.364 6.067 -32.550 1.00 31.86 C ANISOU 691 CG LYS A 85 4077 4532 3496 -57 -179 414 C ATOM 692 CD LYS A 85 -17.086 5.896 -33.351 1.00 43.53 C ANISOU 692 CD LYS A 85 5570 6149 4820 -105 -143 385 C ATOM 693 CE LYS A 85 -16.676 4.466 -33.504 1.00 44.13 C ANISOU 693 CE LYS A 85 5620 6297 4851 -63 -120 282 C ATOM 694 NZ LYS A 85 -15.471 4.321 -34.313 1.00 41.65 N ANISOU 694 NZ LYS A 85 5311 6120 4395 -108 -79 243 N ATOM 0 H LYS A 85 -18.469 9.451 -30.852 1.00 26.98 H new ATOM 0 HA LYS A 85 -20.368 7.888 -31.592 1.00 26.21 H new ATOM 0 HB2 LYS A 85 -18.534 7.997 -32.916 1.00 30.90 H new ATOM 0 HB3 LYS A 85 -17.571 7.677 -31.732 1.00 30.90 H new ATOM 0 HG2 LYS A 85 -18.368 5.473 -31.783 1.00 31.86 H new ATOM 0 HG3 LYS A 85 -19.138 5.840 -33.089 1.00 31.86 H new ATOM 0 HD2 LYS A 85 -17.207 6.288 -34.230 1.00 43.53 H new ATOM 0 HD3 LYS A 85 -16.371 6.387 -32.917 1.00 43.53 H new ATOM 0 HE2 LYS A 85 -16.523 4.080 -32.627 1.00 44.13 H new ATOM 0 HE3 LYS A 85 -17.400 3.966 -33.912 1.00 44.13 H new ATOM 0 HZ1 LYS A 85 -15.661 3.859 -35.049 1.00 41.65 H new ATOM 0 HZ2 LYS A 85 -15.166 5.126 -34.539 1.00 41.65 H new ATOM 0 HZ3 LYS A 85 -14.849 3.889 -33.845 1.00 41.65 H new ATOM 695 N VAL A 86 -18.916 6.697 -29.051 1.00 19.58 N ANISOU 695 N VAL A 86 2471 2755 2215 24 -64 390 N ATOM 696 CA VAL A 86 -19.094 5.674 -28.041 1.00 20.29 C ANISOU 696 CA VAL A 86 2537 2815 2357 76 -25 323 C ATOM 697 C VAL A 86 -20.415 5.981 -27.302 1.00 24.39 C ANISOU 697 C VAL A 86 3040 3209 3017 103 -28 341 C ATOM 698 O VAL A 86 -21.175 5.078 -26.931 1.00 23.76 O ANISOU 698 O VAL A 86 2939 3089 3000 141 -27 304 O ATOM 699 CB VAL A 86 -17.936 5.715 -27.091 1.00 20.71 C ANISOU 699 CB VAL A 86 2594 2902 2373 71 42 289 C ATOM 700 CG1 VAL A 86 -18.202 4.812 -25.806 1.00 21.54 C ANISOU 700 CG1 VAL A 86 2690 2953 2541 119 80 234 C ATOM 701 CG2 VAL A 86 -16.676 5.236 -27.891 1.00 16.40 C ANISOU 701 CG2 VAL A 86 2045 2485 1701 52 47 255 C ATOM 0 H VAL A 86 -18.274 7.251 -28.907 1.00 19.58 H new ATOM 0 HA VAL A 86 -19.132 4.789 -28.435 1.00 20.29 H new ATOM 0 HB VAL A 86 -17.800 6.614 -26.754 1.00 20.71 H new ATOM 0 HG11 VAL A 86 -17.436 4.860 -25.213 1.00 21.54 H new ATOM 0 HG12 VAL A 86 -18.991 5.134 -25.342 1.00 21.54 H new ATOM 0 HG13 VAL A 86 -18.341 3.892 -26.080 1.00 21.54 H new ATOM 0 HG21 VAL A 86 -15.900 5.248 -27.310 1.00 16.40 H new ATOM 0 HG22 VAL A 86 -16.823 4.334 -28.216 1.00 16.40 H new ATOM 0 HG23 VAL A 86 -16.525 5.830 -28.643 1.00 16.40 H new ATOM 702 N GLY A 87 -20.644 7.223 -26.994 1.00 23.57 N ANISOU 702 N GLY A 87 2943 3043 2968 82 -22 389 N ATOM 703 CA GLY A 87 -21.931 7.549 -26.304 1.00 24.25 C ANISOU 703 CA GLY A 87 3002 3011 3200 110 -17 395 C ATOM 704 C GLY A 87 -23.128 7.225 -27.171 1.00 25.83 C ANISOU 704 C GLY A 87 3174 3178 3464 130 -95 415 C ATOM 705 O GLY A 87 -24.161 6.884 -26.591 1.00 24.34 O ANISOU 705 O GLY A 87 2946 2914 3387 163 -82 390 O ATOM 0 H GLY A 87 -20.119 7.886 -27.151 1.00 23.57 H new ATOM 0 HA2 GLY A 87 -21.988 7.051 -25.473 1.00 24.25 H new ATOM 0 HA3 GLY A 87 -21.945 8.491 -26.072 1.00 24.25 H new ATOM 706 N LYS A 88 -23.051 7.375 -28.508 1.00 21.27 N ANISOU 706 N LYS A 88 2613 2650 2819 107 -174 459 N ATOM 707 CA LYS A 88 -24.158 6.970 -29.386 1.00 25.33 C ANISOU 707 CA LYS A 88 3102 3139 3383 124 -262 475 C ATOM 708 C LYS A 88 -24.361 5.446 -29.321 1.00 24.64 C ANISOU 708 C LYS A 88 2995 3084 3284 155 -253 405 C ATOM 709 O LYS A 88 -25.499 4.992 -29.184 1.00 24.39 O ANISOU 709 O LYS A 88 2920 2988 3360 183 -278 389 O ATOM 710 CB LYS A 88 -23.900 7.428 -30.793 1.00 28.86 C ANISOU 710 CB LYS A 88 3588 3641 3734 83 -348 537 C ATOM 711 CG LYS A 88 -24.879 6.971 -31.817 1.00 33.48 C ANISOU 711 CG LYS A 88 4161 4218 4341 92 -452 554 C ATOM 712 CD LYS A 88 -24.606 7.657 -33.170 1.00 41.20 C ANISOU 712 CD LYS A 88 5195 5245 5214 38 -540 631 C ATOM 713 CE LYS A 88 -25.564 7.061 -34.264 1.00 65.04 C ANISOU 713 CE LYS A 88 8209 8267 8237 45 -657 642 C ATOM 714 NZ LYS A 88 -27.030 6.915 -33.881 1.00 64.04 N ANISOU 714 NZ LYS A 88 8010 8026 8295 96 -707 635 N ATOM 0 H LYS A 88 -22.372 7.706 -28.918 1.00 21.27 H new ATOM 0 HA LYS A 88 -24.976 7.393 -29.080 1.00 25.33 H new ATOM 0 HB2 LYS A 88 -23.880 8.398 -30.800 1.00 28.86 H new ATOM 0 HB3 LYS A 88 -23.017 7.124 -31.057 1.00 28.86 H new ATOM 0 HG2 LYS A 88 -24.822 6.008 -31.919 1.00 33.48 H new ATOM 0 HG3 LYS A 88 -25.781 7.172 -31.522 1.00 33.48 H new ATOM 0 HD2 LYS A 88 -24.744 8.614 -33.092 1.00 41.20 H new ATOM 0 HD3 LYS A 88 -23.681 7.524 -33.430 1.00 41.20 H new ATOM 0 HE2 LYS A 88 -25.511 7.624 -35.052 1.00 65.04 H new ATOM 0 HE3 LYS A 88 -25.228 6.187 -34.517 1.00 65.04 H new ATOM 0 HZ1 LYS A 88 -27.491 6.612 -34.579 1.00 64.04 H new ATOM 0 HZ2 LYS A 88 -27.105 6.341 -33.205 1.00 64.04 H new ATOM 0 HZ3 LYS A 88 -27.353 7.707 -33.634 1.00 64.04 H new ATOM 715 N GLU A 89 -23.290 4.692 -29.450 1.00 29.34 N ANISOU 715 N GLU A 89 3616 3773 3759 148 -220 362 N ATOM 716 CA GLU A 89 -23.254 3.211 -29.357 1.00 28.63 C ANISOU 716 CA GLU A 89 3517 3714 3648 177 -209 290 C ATOM 717 C GLU A 89 -23.886 2.726 -28.039 1.00 29.07 C ANISOU 717 C GLU A 89 3543 3686 3816 209 -152 255 C ATOM 718 O GLU A 89 -24.586 1.677 -28.014 1.00 29.29 O ANISOU 718 O GLU A 89 3549 3687 3892 231 -169 217 O ATOM 719 CB GLU A 89 -21.822 2.644 -29.455 1.00 28.13 C ANISOU 719 CB GLU A 89 3480 3755 3453 171 -169 244 C ATOM 720 CG GLU A 89 -21.307 2.182 -30.863 1.00 51.97 C ANISOU 720 CG GLU A 89 6520 6878 6347 152 -218 228 C ATOM 721 CD GLU A 89 -19.720 2.207 -30.976 1.00 64.14 C ANISOU 721 CD GLU A 89 8079 8528 7763 131 -164 198 C ATOM 722 OE1 GLU A 89 -19.023 2.267 -29.935 1.00 59.33 O ANISOU 722 OE1 GLU A 89 7462 7913 7166 142 -100 177 O ATOM 723 OE2 GLU A 89 -19.153 2.181 -32.107 1.00 66.53 O ANISOU 723 OE2 GLU A 89 8401 8926 7952 99 -185 192 O ATOM 0 H GLU A 89 -22.514 5.030 -29.603 1.00 29.34 H new ATOM 0 HA GLU A 89 -23.765 2.884 -30.114 1.00 28.63 H new ATOM 0 HB2 GLU A 89 -21.211 3.320 -29.123 1.00 28.13 H new ATOM 0 HB3 GLU A 89 -21.761 1.886 -28.853 1.00 28.13 H new ATOM 0 HG2 GLU A 89 -21.626 1.283 -31.041 1.00 51.97 H new ATOM 0 HG3 GLU A 89 -21.685 2.757 -31.546 1.00 51.97 H new ATOM 724 N LEU A 90 -23.594 3.452 -26.962 1.00 27.07 N ANISOU 724 N LEU A 90 3296 3396 3595 203 -83 263 N ATOM 725 CA LEU A 90 -24.154 3.180 -25.610 1.00 24.73 C ANISOU 725 CA LEU A 90 2982 3021 3392 220 -15 234 C ATOM 726 C LEU A 90 -25.578 3.694 -25.406 1.00 25.42 C ANISOU 726 C LEU A 90 3022 3010 3626 229 -23 253 C ATOM 727 O LEU A 90 -26.163 3.434 -24.335 1.00 27.37 O ANISOU 727 O LEU A 90 3250 3195 3954 236 42 223 O ATOM 728 CB LEU A 90 -23.230 3.685 -24.431 1.00 21.07 C ANISOU 728 CB LEU A 90 2551 2560 2894 208 67 224 C ATOM 729 CG LEU A 90 -21.852 3.077 -24.553 1.00 21.43 C ANISOU 729 CG LEU A 90 2629 2698 2814 206 72 196 C ATOM 730 CD1 LEU A 90 -21.031 3.831 -23.525 1.00 22.13 C ANISOU 730 CD1 LEU A 90 2745 2785 2879 188 134 198 C ATOM 731 CD2 LEU A 90 -21.985 1.579 -24.268 1.00 24.59 C ANISOU 731 CD2 LEU A 90 3031 3099 3215 235 74 145 C ATOM 0 H LEU A 90 -23.061 4.126 -26.983 1.00 27.07 H new ATOM 0 HA LEU A 90 -24.187 2.211 -25.577 1.00 24.73 H new ATOM 0 HB2 LEU A 90 -23.167 4.653 -24.452 1.00 21.07 H new ATOM 0 HB3 LEU A 90 -23.623 3.445 -23.577 1.00 21.07 H new ATOM 0 HG LEU A 90 -21.431 3.150 -25.424 1.00 21.43 H new ATOM 0 HD11 LEU A 90 -20.119 3.501 -23.534 1.00 22.13 H new ATOM 0 HD12 LEU A 90 -21.034 4.777 -23.739 1.00 22.13 H new ATOM 0 HD13 LEU A 90 -21.414 3.698 -22.644 1.00 22.13 H new ATOM 0 HD21 LEU A 90 -21.114 1.157 -24.339 1.00 24.59 H new ATOM 0 HD22 LEU A 90 -22.335 1.450 -23.373 1.00 24.59 H new ATOM 0 HD23 LEU A 90 -22.590 1.179 -24.912 1.00 24.59 H new ATOM 732 N GLY A 91 -26.145 4.481 -26.337 1.00 24.36 N ANISOU 732 N GLY A 91 2866 2857 3533 225 -97 302 N ATOM 733 CA GLY A 91 -27.531 4.952 -26.185 1.00 25.76 C ANISOU 733 CA GLY A 91 2982 2936 3869 240 -115 314 C ATOM 734 C GLY A 91 -27.741 6.286 -25.533 1.00 26.35 C ANISOU 734 C GLY A 91 3045 2939 4027 239 -76 337 C ATOM 735 O GLY A 91 -28.835 6.705 -25.191 1.00 26.36 O ANISOU 735 O GLY A 91 2988 2853 4174 258 -70 332 O ATOM 0 H GLY A 91 -25.750 4.749 -27.052 1.00 24.36 H new ATOM 0 HA2 GLY A 91 -27.935 4.983 -27.066 1.00 25.76 H new ATOM 0 HA3 GLY A 91 -28.018 4.288 -25.672 1.00 25.76 H new ATOM 736 N TYR A 92 -26.668 7.052 -25.361 1.00 26.50 N ANISOU 736 N TYR A 92 3116 2990 3962 217 -48 359 N ATOM 737 CA TYR A 92 -26.853 8.367 -24.725 1.00 24.51 C ANISOU 737 CA TYR A 92 2858 2660 3794 215 -13 375 C ATOM 738 C TYR A 92 -27.214 9.474 -25.696 1.00 29.98 C ANISOU 738 C TYR A 92 3543 3312 4535 212 -108 445 C ATOM 739 O TYR A 92 -27.788 10.500 -25.327 1.00 29.79 O ANISOU 739 O TYR A 92 3493 3196 4631 224 -104 457 O ATOM 740 CB TYR A 92 -25.532 8.778 -24.003 1.00 25.38 C ANISOU 740 CB TYR A 92 3030 2813 3801 186 58 367 C ATOM 741 CG TYR A 92 -25.325 7.989 -22.750 1.00 24.82 C ANISOU 741 CG TYR A 92 2969 2749 3714 189 155 302 C ATOM 742 CD1 TYR A 92 -24.685 6.751 -22.779 1.00 25.92 C ANISOU 742 CD1 TYR A 92 3132 2965 3751 189 160 275 C ATOM 743 CD2 TYR A 92 -25.853 8.428 -21.539 1.00 22.61 C ANISOU 743 CD2 TYR A 92 2675 2391 3524 193 238 266 C ATOM 744 CE1 TYR A 92 -24.532 5.949 -21.580 1.00 24.26 C ANISOU 744 CE1 TYR A 92 2940 2751 3525 190 239 223 C ATOM 745 CE2 TYR A 92 -25.738 7.648 -20.375 1.00 21.08 C ANISOU 745 CE2 TYR A 92 2502 2202 3306 188 324 212 C ATOM 746 CZ TYR A 92 -25.114 6.446 -20.376 1.00 22.28 C ANISOU 746 CZ TYR A 92 2684 2424 3358 186 321 196 C ATOM 747 OH TYR A 92 -25.004 5.679 -19.222 1.00 23.08 O ANISOU 747 OH TYR A 92 2815 2522 3434 177 394 153 O ATOM 0 H TYR A 92 -25.864 6.851 -25.589 1.00 26.50 H new ATOM 0 HA TYR A 92 -27.595 8.265 -24.109 1.00 24.51 H new ATOM 0 HB2 TYR A 92 -24.780 8.643 -24.600 1.00 25.38 H new ATOM 0 HB3 TYR A 92 -25.559 9.724 -23.790 1.00 25.38 H new ATOM 0 HD1 TYR A 92 -24.349 6.432 -23.585 1.00 25.92 H new ATOM 0 HD2 TYR A 92 -26.288 9.249 -21.499 1.00 22.61 H new ATOM 0 HE1 TYR A 92 -24.072 5.141 -21.596 1.00 24.26 H new ATOM 0 HE2 TYR A 92 -26.101 7.967 -19.581 1.00 21.08 H new ATOM 0 HH TYR A 92 -25.535 5.970 -18.640 1.00 23.08 H new ATOM 748 N PHE A 93 -26.800 9.321 -26.941 1.00 27.07 N ANISOU 748 N PHE A 93 3206 3013 4067 192 -196 493 N ATOM 749 CA PHE A 93 -26.888 10.410 -27.941 1.00 31.60 C ANISOU 749 CA PHE A 93 3799 3561 4646 173 -295 575 C ATOM 750 C PHE A 93 -27.445 9.776 -29.172 1.00 36.66 C ANISOU 750 C PHE A 93 4429 4235 5265 176 -403 601 C ATOM 751 O PHE A 93 -26.948 8.773 -29.608 1.00 35.90 O ANISOU 751 O PHE A 93 4355 4232 5054 164 -403 576 O ATOM 752 CB PHE A 93 -25.534 10.956 -28.336 1.00 30.77 C ANISOU 752 CB PHE A 93 3768 3531 4392 120 -290 617 C ATOM 753 CG PHE A 93 -24.674 11.252 -27.196 1.00 27.57 C ANISOU 753 CG PHE A 93 3383 3132 3960 107 -183 580 C ATOM 754 CD1 PHE A 93 -23.348 10.778 -27.138 1.00 27.05 C ANISOU 754 CD1 PHE A 93 3358 3175 3744 75 -133 557 C ATOM 755 CD2 PHE A 93 -25.130 12.062 -26.200 1.00 24.85 C ANISOU 755 CD2 PHE A 93 3018 2685 3740 125 -134 564 C ATOM 756 CE1 PHE A 93 -22.592 11.088 -26.074 1.00 26.20 C ANISOU 756 CE1 PHE A 93 3269 3068 3620 63 -48 525 C ATOM 757 CE2 PHE A 93 -24.304 12.399 -25.155 1.00 21.81 C ANISOU 757 CE2 PHE A 93 2660 2305 3320 107 -42 530 C ATOM 758 CZ PHE A 93 -23.091 11.881 -25.073 1.00 23.10 C ANISOU 758 CZ PHE A 93 2862 2572 3343 77 -4 512 C ATOM 0 H PHE A 93 -26.459 8.592 -27.244 1.00 27.07 H new ATOM 0 HA PHE A 93 -27.415 11.134 -27.569 1.00 31.60 H new ATOM 0 HB2 PHE A 93 -25.089 10.314 -28.910 1.00 30.77 H new ATOM 0 HB3 PHE A 93 -25.658 11.764 -28.857 1.00 30.77 H new ATOM 0 HD1 PHE A 93 -23.002 10.258 -27.827 1.00 27.05 H new ATOM 0 HD2 PHE A 93 -26.001 12.387 -26.227 1.00 24.85 H new ATOM 0 HE1 PHE A 93 -21.723 10.763 -26.015 1.00 26.20 H new ATOM 0 HE2 PHE A 93 -24.599 12.993 -24.504 1.00 21.81 H new ATOM 0 HZ PHE A 93 -22.568 12.057 -24.325 1.00 23.10 H new ATOM 759 N ASN A 94 -28.497 10.365 -29.719 1.00 32.51 N ANISOU 759 N ASN A 94 3867 3628 4857 194 -501 648 N ATOM 760 CA ASN A 94 -29.041 9.822 -30.951 1.00 38.60 C ANISOU 760 CA ASN A 94 4635 4430 5602 192 -621 678 C ATOM 761 C ASN A 94 -28.419 10.480 -32.170 1.00 40.83 C ANISOU 761 C ASN A 94 4996 4761 5756 141 -714 766 C ATOM 762 O ASN A 94 -28.386 9.898 -33.242 1.00 45.32 O ANISOU 762 O ASN A 94 5595 5401 6224 118 -792 784 O ATOM 763 CB ASN A 94 -30.554 10.052 -30.965 1.00 43.72 C ANISOU 763 CB ASN A 94 5196 4965 6449 238 -695 683 C ATOM 764 CG ASN A 94 -31.310 8.804 -31.271 1.00 49.05 C ANISOU 764 CG ASN A 94 5822 5663 7153 257 -729 637 C ATOM 765 OD1 ASN A 94 -30.743 7.709 -31.338 1.00 48.72 O ANISOU 765 OD1 ASN A 94 5809 5711 6992 241 -688 592 O ATOM 766 ND2 ASN A 94 -32.620 8.952 -31.473 1.00 53.97 N ANISOU 766 ND2 ASN A 94 6363 6199 7943 291 -812 645 N ATOM 0 H ASN A 94 -28.900 11.057 -29.406 1.00 32.51 H new ATOM 0 HA ASN A 94 -28.839 8.874 -30.987 1.00 38.60 H new ATOM 0 HB2 ASN A 94 -30.835 10.396 -30.103 1.00 43.72 H new ATOM 0 HB3 ASN A 94 -30.771 10.729 -31.625 1.00 43.72 H new ATOM 0 HD21 ASN A 94 -33.106 8.268 -31.659 1.00 53.97 H new ATOM 0 HD22 ASN A 94 -32.978 9.732 -31.417 1.00 53.97 H new ATOM 767 N ASN A 95 -27.982 11.716 -32.019 1.00 33.47 N ANISOU 767 N ASN A 95 4100 3786 4829 118 -710 822 N ATOM 768 CA ASN A 95 -27.284 12.403 -33.077 1.00 37.78 C ANISOU 768 CA ASN A 95 4731 4379 5244 55 -782 911 C ATOM 769 C ASN A 95 -26.405 13.512 -32.491 1.00 37.29 C ANISOU 769 C ASN A 95 4710 4293 5165 22 -715 939 C ATOM 770 O ASN A 95 -26.389 13.792 -31.280 1.00 33.63 O ANISOU 770 O ASN A 95 4211 3771 4795 51 -622 890 O ATOM 771 CB ASN A 95 -28.257 12.964 -34.120 1.00 44.02 C ANISOU 771 CB ASN A 95 5525 5100 6099 56 -946 997 C ATOM 772 CG ASN A 95 -29.318 13.765 -33.481 1.00 43.97 C ANISOU 772 CG ASN A 95 5449 4942 6317 113 -976 1005 C ATOM 773 OD1 ASN A 95 -29.027 14.716 -32.780 1.00 39.26 O ANISOU 773 OD1 ASN A 95 4859 4278 5780 114 -924 1015 O ATOM 774 ND2 ASN A 95 -30.562 13.339 -33.631 1.00 48.39 N ANISOU 774 ND2 ASN A 95 5931 5444 7013 165 -1050 986 N ATOM 0 H ASN A 95 -28.083 12.177 -31.300 1.00 33.47 H new ATOM 0 HA ASN A 95 -26.715 11.763 -33.532 1.00 37.78 H new ATOM 0 HB2 ASN A 95 -27.772 13.513 -34.756 1.00 44.02 H new ATOM 0 HB3 ASN A 95 -28.655 12.235 -34.620 1.00 44.02 H new ATOM 0 HD21 ASN A 95 -31.205 13.739 -33.224 1.00 48.39 H new ATOM 0 HD22 ASN A 95 -30.727 12.663 -34.136 1.00 48.39 H new ATOM 775 N TYR A 96 -25.691 14.197 -33.365 1.00 41.38 N ANISOU 775 N TYR A 96 5308 4853 5561 -47 -766 1022 N ATOM 776 CA TYR A 96 -24.730 15.205 -32.908 1.00 39.02 C ANISOU 776 CA TYR A 96 5055 4544 5228 -93 -705 1052 C ATOM 777 C TYR A 96 -25.419 16.411 -32.209 1.00 39.71 C ANISOU 777 C TYR A 96 5116 4467 5504 -58 -726 1079 C ATOM 778 O TYR A 96 -24.894 16.954 -31.239 1.00 36.50 O ANISOU 778 O TYR A 96 4710 4029 5130 -62 -635 1048 O ATOM 779 CB TYR A 96 -23.788 15.591 -34.080 1.00 55.25 C ANISOU 779 CB TYR A 96 7203 6690 7098 -188 -749 1135 C ATOM 780 CG TYR A 96 -22.515 16.214 -33.634 1.00 53.74 C ANISOU 780 CG TYR A 96 7052 6539 6827 -248 -657 1139 C ATOM 781 CD1 TYR A 96 -21.484 15.443 -33.179 1.00 51.58 C ANISOU 781 CD1 TYR A 96 6766 6382 6449 -260 -542 1059 C ATOM 782 CD2 TYR A 96 -22.356 17.573 -33.658 1.00 55.52 C ANISOU 782 CD2 TYR A 96 7324 6680 7092 -291 -693 1223 C ATOM 783 CE1 TYR A 96 -20.305 16.011 -32.734 1.00 50.61 C ANISOU 783 CE1 TYR A 96 6670 6297 6262 -316 -461 1058 C ATOM 784 CE2 TYR A 96 -21.171 18.178 -33.218 1.00 56.42 C ANISOU 784 CE2 TYR A 96 7471 6827 7138 -353 -609 1225 C ATOM 785 CZ TYR A 96 -20.148 17.382 -32.763 1.00 55.97 C ANISOU 785 CZ TYR A 96 7395 6895 6977 -366 -493 1141 C ATOM 786 OH TYR A 96 -18.975 17.965 -32.346 1.00 58.01 O ANISOU 786 OH TYR A 96 7678 7190 7175 -429 -417 1141 O ATOM 0 H TYR A 96 -25.740 14.102 -34.218 1.00 41.38 H new ATOM 0 HA TYR A 96 -24.174 14.825 -32.210 1.00 39.02 H new ATOM 0 HB2 TYR A 96 -23.587 14.797 -34.599 1.00 55.25 H new ATOM 0 HB3 TYR A 96 -24.252 16.206 -34.670 1.00 55.25 H new ATOM 0 HD1 TYR A 96 -21.577 14.518 -33.168 1.00 51.58 H new ATOM 0 HD2 TYR A 96 -23.049 18.107 -33.973 1.00 55.52 H new ATOM 0 HE1 TYR A 96 -19.619 15.470 -32.416 1.00 50.61 H new ATOM 0 HE2 TYR A 96 -21.079 19.103 -33.234 1.00 56.42 H new ATOM 0 HH TYR A 96 -19.033 18.799 -32.424 1.00 58.01 H new ATOM 787 N ASP A 97 -26.598 16.791 -32.663 1.00 71.79 N ANISOU 787 N ASP A 97 9151 8427 9698 -20 -844 1126 N ATOM 788 CA ASP A 97 -27.294 17.872 -32.023 1.00 69.31 C ANISOU 788 CA ASP A 97 8802 7955 9578 22 -865 1139 C ATOM 789 C ASP A 97 -27.652 17.523 -30.615 1.00 62.05 C ANISOU 789 C ASP A 97 7800 6993 8782 85 -740 1025 C ATOM 790 O ASP A 97 -27.496 18.322 -29.735 1.00 59.41 O ANISOU 790 O ASP A 97 7462 6582 8527 93 -678 1003 O ATOM 791 CB ASP A 97 -28.550 18.289 -32.781 1.00 54.63 C ANISOU 791 CB ASP A 97 6915 5988 7855 61 -1026 1206 C ATOM 792 CG ASP A 97 -29.255 19.456 -32.141 1.00 54.81 C ANISOU 792 CG ASP A 97 6894 5838 8093 111 -1050 1213 C ATOM 793 OD1 ASP A 97 -28.589 20.392 -31.665 1.00 54.54 O ANISOU 793 OD1 ASP A 97 6905 5759 8058 81 -1002 1230 O ATOM 794 OD2 ASP A 97 -30.496 19.455 -32.093 1.00 55.34 O ANISOU 794 OD2 ASP A 97 6875 5808 8342 183 -1118 1195 O ATOM 0 H ASP A 97 -27.005 16.438 -33.333 1.00 71.79 H new ATOM 0 HA ASP A 97 -26.683 18.625 -32.023 1.00 69.31 H new ATOM 0 HB2 ASP A 97 -28.311 18.520 -33.692 1.00 54.63 H new ATOM 0 HB3 ASP A 97 -29.159 17.535 -32.830 1.00 54.63 H new ATOM 795 N GLU A 98 -28.131 16.312 -30.412 1.00 39.57 N ANISOU 795 N GLU A 98 4893 4196 5944 124 -705 952 N ATOM 796 CA GLU A 98 -28.424 15.877 -29.083 1.00 37.04 C ANISOU 796 CA GLU A 98 4507 3850 5717 171 -579 847 C ATOM 797 C GLU A 98 -27.178 15.817 -28.213 1.00 32.05 C ANISOU 797 C GLU A 98 3922 3287 4970 134 -447 801 C ATOM 798 O GLU A 98 -27.218 16.170 -27.049 1.00 28.11 O ANISOU 798 O GLU A 98 3400 2729 4552 154 -354 743 O ATOM 799 CB GLU A 98 -29.104 14.536 -29.126 1.00 43.34 C ANISOU 799 CB GLU A 98 5243 4694 6529 206 -572 788 C ATOM 800 CG GLU A 98 -29.650 14.204 -27.791 1.00 44.47 C ANISOU 800 CG GLU A 98 5314 4787 6794 251 -455 690 C ATOM 801 CD GLU A 98 -30.470 12.895 -27.713 1.00 47.99 C ANISOU 801 CD GLU A 98 5690 5260 7284 283 -442 630 C ATOM 802 OE1 GLU A 98 -31.338 12.776 -26.802 1.00 48.12 O ANISOU 802 OE1 GLU A 98 5627 5206 7449 322 -375 562 O ATOM 803 OE2 GLU A 98 -30.256 11.969 -28.516 1.00 51.22 O ANISOU 803 OE2 GLU A 98 6121 5758 7580 265 -492 642 O ATOM 0 H GLU A 98 -28.290 15.736 -31.030 1.00 39.57 H new ATOM 0 HA GLU A 98 -29.019 16.529 -28.681 1.00 37.04 H new ATOM 0 HB2 GLU A 98 -29.818 14.548 -29.782 1.00 43.34 H new ATOM 0 HB3 GLU A 98 -28.473 13.854 -29.405 1.00 43.34 H new ATOM 0 HG2 GLU A 98 -28.913 14.143 -27.163 1.00 44.47 H new ATOM 0 HG3 GLU A 98 -30.213 14.938 -27.497 1.00 44.47 H new ATOM 804 N PHE A 99 -26.121 15.244 -28.740 1.00 32.26 N ANISOU 804 N PHE A 99 4004 3441 4810 83 -436 816 N ATOM 805 CA PHE A 99 -24.837 15.191 -28.020 1.00 30.49 C ANISOU 805 CA PHE A 99 3822 3291 4473 45 -327 778 C ATOM 806 C PHE A 99 -24.475 16.573 -27.568 1.00 29.77 C ANISOU 806 C PHE A 99 3763 3119 4431 19 -313 810 C ATOM 807 O PHE A 99 -24.143 16.785 -26.394 1.00 27.23 O ANISOU 807 O PHE A 99 3437 2772 4138 24 -215 750 O ATOM 808 CB PHE A 99 -23.797 14.647 -28.984 1.00 29.40 C ANISOU 808 CB PHE A 99 3737 3293 4142 -11 -347 809 C ATOM 809 CG PHE A 99 -22.342 14.837 -28.530 1.00 31.37 C ANISOU 809 CG PHE A 99 4029 3619 4269 -64 -262 792 C ATOM 810 CD1 PHE A 99 -21.826 14.076 -27.494 1.00 26.90 C ANISOU 810 CD1 PHE A 99 3443 3100 3676 -46 -160 705 C ATOM 811 CD2 PHE A 99 -21.514 15.729 -29.177 1.00 36.86 C ANISOU 811 CD2 PHE A 99 4783 4342 4879 -136 -292 864 C ATOM 812 CE1 PHE A 99 -20.512 14.220 -27.111 1.00 28.14 C ANISOU 812 CE1 PHE A 99 3631 3329 3730 -91 -96 689 C ATOM 813 CE2 PHE A 99 -20.190 15.869 -28.772 1.00 36.58 C ANISOU 813 CE2 PHE A 99 4774 4382 4741 -187 -215 844 C ATOM 814 CZ PHE A 99 -19.734 15.109 -27.731 1.00 32.27 C ANISOU 814 CZ PHE A 99 4200 3879 4182 -159 -121 753 C ATOM 0 H PHE A 99 -26.110 14.874 -29.516 1.00 32.26 H new ATOM 0 HA PHE A 99 -24.889 14.620 -27.238 1.00 30.49 H new ATOM 0 HB2 PHE A 99 -23.961 13.700 -29.117 1.00 29.40 H new ATOM 0 HB3 PHE A 99 -23.914 15.079 -29.845 1.00 29.40 H new ATOM 0 HD1 PHE A 99 -22.371 13.464 -27.054 1.00 26.90 H new ATOM 0 HD2 PHE A 99 -21.840 16.237 -29.884 1.00 36.86 H new ATOM 0 HE1 PHE A 99 -20.167 13.699 -26.422 1.00 28.14 H new ATOM 0 HE2 PHE A 99 -19.625 16.469 -29.202 1.00 36.58 H new ATOM 0 HZ PHE A 99 -18.855 15.215 -27.446 1.00 32.27 H new ATOM 815 N ARG A 100 -24.551 17.541 -28.466 1.00 38.36 N ANISOU 815 N ARG A 100 4890 4159 5528 -12 -413 905 N ATOM 816 CA ARG A 100 -24.222 18.911 -28.126 1.00 41.97 C ANISOU 816 CA ARG A 100 5384 4526 6038 -41 -413 943 C ATOM 817 C ARG A 100 -25.108 19.452 -27.038 1.00 38.19 C ANISOU 817 C ARG A 100 4850 3908 5753 22 -373 884 C ATOM 818 O ARG A 100 -24.647 20.034 -26.109 1.00 34.20 O ANISOU 818 O ARG A 100 4360 3365 5271 10 -296 845 O ATOM 819 CB ARG A 100 -24.319 19.803 -29.365 1.00 33.78 C ANISOU 819 CB ARG A 100 4401 3445 4989 -84 -547 1066 C ATOM 0 H ARG A 100 -24.793 17.423 -29.283 1.00 38.36 H new ATOM 0 HA ARG A 100 -23.311 18.913 -27.793 1.00 41.97 H new ATOM 820 N LYS A 101 -26.395 19.237 -27.157 1.00 39.29 N ANISOU 820 N LYS A 101 4921 3973 6034 88 -424 871 N ATOM 821 CA LYS A 101 -27.308 19.794 -26.180 1.00 37.99 C ANISOU 821 CA LYS A 101 4694 3675 6067 149 -384 809 C ATOM 822 C LYS A 101 -27.089 19.107 -24.806 1.00 36.33 C ANISOU 822 C LYS A 101 4456 3505 5841 164 -227 691 C ATOM 823 O LYS A 101 -27.148 19.782 -23.773 1.00 34.50 O ANISOU 823 O LYS A 101 4218 3195 5696 176 -151 634 O ATOM 824 CB LYS A 101 -28.776 19.632 -26.637 1.00 42.40 C ANISOU 824 CB LYS A 101 5167 4152 6790 218 -473 814 C ATOM 0 H LYS A 101 -26.762 18.779 -27.785 1.00 39.29 H new ATOM 0 HA LYS A 101 -27.127 20.743 -26.094 1.00 37.99 H new ATOM 825 N LYS A 102 -26.935 17.770 -24.782 1.00 36.25 N ANISOU 825 N LYS A 102 4432 3608 5731 164 -183 653 N ATOM 826 CA LYS A 102 -26.725 17.063 -23.539 1.00 32.73 C ANISOU 826 CA LYS A 102 3974 3202 5261 171 -49 555 C ATOM 827 C LYS A 102 -25.442 17.507 -22.805 1.00 30.92 C ANISOU 827 C LYS A 102 3815 3011 4925 120 27 537 C ATOM 828 O LYS A 102 -25.454 17.727 -21.592 1.00 31.45 O ANISOU 828 O LYS A 102 3879 3035 5035 127 125 464 O ATOM 829 CB LYS A 102 -26.740 15.531 -23.763 1.00 31.17 C ANISOU 829 CB LYS A 102 3758 3113 4973 178 -36 529 C ATOM 830 CG LYS A 102 -28.214 15.056 -23.881 1.00 33.06 C ANISOU 830 CG LYS A 102 3907 3290 5362 235 -65 503 C ATOM 831 CD LYS A 102 -28.353 13.594 -23.827 1.00 30.38 C ANISOU 831 CD LYS A 102 3546 3032 4964 242 -33 461 C ATOM 832 CE LYS A 102 -29.789 13.157 -24.091 1.00 33.43 C ANISOU 832 CE LYS A 102 3841 3362 5500 288 -75 443 C ATOM 833 NZ LYS A 102 -29.904 11.647 -23.992 1.00 33.96 N ANISOU 833 NZ LYS A 102 3891 3505 5506 288 -41 400 N ATOM 0 H LYS A 102 -26.951 17.269 -25.481 1.00 36.25 H new ATOM 0 HA LYS A 102 -27.467 17.296 -22.959 1.00 32.73 H new ATOM 0 HB2 LYS A 102 -26.249 15.305 -24.568 1.00 31.17 H new ATOM 0 HB3 LYS A 102 -26.300 15.080 -23.026 1.00 31.17 H new ATOM 0 HG2 LYS A 102 -28.734 15.452 -23.164 1.00 33.06 H new ATOM 0 HG3 LYS A 102 -28.587 15.381 -24.715 1.00 33.06 H new ATOM 0 HD2 LYS A 102 -27.765 13.188 -24.483 1.00 30.38 H new ATOM 0 HD3 LYS A 102 -28.071 13.273 -22.956 1.00 30.38 H new ATOM 0 HE2 LYS A 102 -30.385 13.576 -23.450 1.00 33.43 H new ATOM 0 HE3 LYS A 102 -30.067 13.452 -24.972 1.00 33.43 H new ATOM 0 HZ1 LYS A 102 -30.709 11.391 -24.274 1.00 33.96 H new ATOM 0 HZ2 LYS A 102 -29.278 11.268 -24.499 1.00 33.96 H new ATOM 0 HZ3 LYS A 102 -29.793 11.395 -23.146 1.00 33.96 H new ATOM 834 N MET A 103 -24.335 17.572 -23.538 1.00 29.04 N ANISOU 834 N MET A 103 3636 2858 4541 64 -14 599 N ATOM 835 CA MET A 103 -23.052 17.977 -22.989 1.00 28.48 C ANISOU 835 CA MET A 103 3623 2832 4366 9 44 589 C ATOM 836 C MET A 103 -23.115 19.339 -22.407 1.00 28.75 C ANISOU 836 C MET A 103 3676 2748 4499 0 58 587 C ATOM 837 O MET A 103 -22.547 19.611 -21.347 1.00 26.11 O ANISOU 837 O MET A 103 3366 2408 4146 -20 140 529 O ATOM 838 CB MET A 103 -21.942 17.935 -24.057 1.00 31.79 C ANISOU 838 CB MET A 103 4091 3359 4629 -54 -9 661 C ATOM 839 CG MET A 103 -21.613 16.529 -24.481 1.00 30.78 C ANISOU 839 CG MET A 103 3950 3360 4383 -49 -3 642 C ATOM 840 SD MET A 103 -20.697 15.614 -23.212 1.00 32.70 S ANISOU 840 SD MET A 103 4198 3687 4540 -51 111 547 S ATOM 841 CE MET A 103 -19.109 16.469 -23.354 1.00 34.02 C ANISOU 841 CE MET A 103 4419 3914 4591 -134 118 583 C ATOM 0 H MET A 103 -24.310 17.380 -24.376 1.00 29.04 H new ATOM 0 HA MET A 103 -22.840 17.343 -22.287 1.00 28.48 H new ATOM 0 HB2 MET A 103 -22.221 18.448 -24.832 1.00 31.79 H new ATOM 0 HB3 MET A 103 -21.143 18.361 -23.708 1.00 31.79 H new ATOM 0 HG2 MET A 103 -22.435 16.056 -24.686 1.00 30.78 H new ATOM 0 HG3 MET A 103 -21.090 16.555 -25.297 1.00 30.78 H new ATOM 0 HE1 MET A 103 -18.416 15.936 -22.934 1.00 34.02 H new ATOM 0 HE2 MET A 103 -18.894 16.599 -24.291 1.00 34.02 H new ATOM 0 HE3 MET A 103 -19.165 17.331 -22.913 1.00 34.02 H new ATOM 842 N HIS A 104 -23.797 20.228 -23.107 1.00 38.91 N ANISOU 842 N HIS A 104 4955 3934 5894 14 -31 649 N ATOM 843 CA HIS A 104 -24.055 21.551 -22.532 1.00 40.53 C ANISOU 843 CA HIS A 104 5170 4001 6230 19 -25 639 C ATOM 844 C HIS A 104 -24.839 21.596 -21.202 1.00 36.28 C ANISOU 844 C HIS A 104 4583 3379 5824 73 75 526 C ATOM 845 O HIS A 104 -24.389 22.271 -20.250 1.00 35.95 O ANISOU 845 O HIS A 104 4574 3293 5792 52 145 475 O ATOM 846 CB HIS A 104 -24.710 22.459 -23.524 1.00 46.34 C ANISOU 846 CB HIS A 104 5904 4631 7073 32 -151 728 C ATOM 847 CG HIS A 104 -24.674 23.883 -23.091 1.00 50.52 C ANISOU 847 CG HIS A 104 6462 5022 7710 22 -157 732 C ATOM 848 ND1 HIS A 104 -23.556 24.674 -23.258 1.00 53.25 N ANISOU 848 ND1 HIS A 104 6887 5378 7967 -57 -171 786 N ATOM 849 CD2 HIS A 104 -25.589 24.641 -22.439 1.00 51.77 C ANISOU 849 CD2 HIS A 104 6579 5031 8062 80 -144 678 C ATOM 850 CE1 HIS A 104 -23.799 25.876 -22.763 1.00 54.67 C ANISOU 850 CE1 HIS A 104 7079 5411 8281 -48 -176 772 C ATOM 851 NE2 HIS A 104 -25.018 25.877 -22.249 1.00 53.88 N ANISOU 851 NE2 HIS A 104 6906 5213 8354 38 -158 702 N ATOM 0 H HIS A 104 -24.115 20.099 -23.896 1.00 38.91 H new ATOM 0 HA HIS A 104 -23.164 21.860 -22.307 1.00 40.53 H new ATOM 0 HB2 HIS A 104 -24.266 22.372 -24.382 1.00 46.34 H new ATOM 0 HB3 HIS A 104 -25.632 22.185 -23.652 1.00 46.34 H new ATOM 0 HD2 HIS A 104 -26.439 24.376 -22.172 1.00 51.77 H new ATOM 0 HE1 HIS A 104 -23.213 26.598 -22.774 1.00 54.67 H new ATOM 0 HE2 HIS A 104 -25.394 26.545 -21.858 1.00 53.88 H new ATOM 852 N TYR A 105 -25.990 20.902 -21.135 1.00 33.96 N ANISOU 852 N TYR A 105 4213 3065 5626 137 84 486 N ATOM 853 CA TYR A 105 -26.716 20.753 -19.919 1.00 32.98 C ANISOU 853 CA TYR A 105 4041 2887 5605 178 193 376 C ATOM 854 C TYR A 105 -25.877 20.180 -18.792 1.00 31.32 C ANISOU 854 C TYR A 105 3875 2760 5265 141 313 304 C ATOM 855 O TYR A 105 -25.816 20.746 -17.702 1.00 31.03 O ANISOU 855 O TYR A 105 3856 2668 5266 135 399 231 O ATOM 856 CB TYR A 105 -27.908 19.832 -20.142 1.00 35.48 C ANISOU 856 CB TYR A 105 4269 3205 6007 234 185 352 C ATOM 857 CG TYR A 105 -28.694 19.656 -18.924 1.00 37.14 C ANISOU 857 CG TYR A 105 4426 3366 6322 268 306 239 C ATOM 858 CD1 TYR A 105 -29.503 20.696 -18.422 1.00 41.72 C ANISOU 858 CD1 TYR A 105 4959 3806 7088 309 331 185 C ATOM 859 CD2 TYR A 105 -28.644 18.481 -18.245 1.00 37.38 C ANISOU 859 CD2 TYR A 105 4453 3482 6268 257 400 180 C ATOM 860 CE1 TYR A 105 -30.260 20.496 -17.263 1.00 42.61 C ANISOU 860 CE1 TYR A 105 5018 3881 7292 335 462 69 C ATOM 861 CE2 TYR A 105 -29.338 18.286 -17.115 1.00 40.39 C ANISOU 861 CE2 TYR A 105 4794 3826 6726 275 520 79 C ATOM 862 CZ TYR A 105 -30.185 19.266 -16.618 1.00 40.93 C ANISOU 862 CZ TYR A 105 4809 3767 6975 313 559 19 C ATOM 863 OH TYR A 105 -30.900 19.010 -15.449 1.00 44.17 O ANISOU 863 OH TYR A 105 5176 4151 7455 323 698 -94 O ATOM 0 H TYR A 105 -26.352 20.512 -21.811 1.00 33.96 H new ATOM 0 HA TYR A 105 -27.000 21.643 -19.658 1.00 32.98 H new ATOM 0 HB2 TYR A 105 -28.473 20.197 -20.841 1.00 35.48 H new ATOM 0 HB3 TYR A 105 -27.595 18.968 -20.453 1.00 35.48 H new ATOM 0 HD1 TYR A 105 -29.533 21.515 -18.862 1.00 41.72 H new ATOM 0 HD2 TYR A 105 -28.113 17.792 -18.573 1.00 37.38 H new ATOM 0 HE1 TYR A 105 -30.804 21.173 -16.930 1.00 42.61 H new ATOM 0 HE2 TYR A 105 -29.250 17.481 -16.657 1.00 40.39 H new ATOM 0 HH TYR A 105 -30.745 18.226 -15.191 1.00 44.17 H new ATOM 864 N TRP A 106 -25.259 19.041 -19.035 1.00 28.51 N ANISOU 864 N TRP A 106 3539 2535 4760 117 317 320 N ATOM 865 CA TRP A 106 -24.423 18.423 -17.972 1.00 26.83 C ANISOU 865 CA TRP A 106 3372 2402 4422 83 416 258 C ATOM 866 C TRP A 106 -23.360 19.392 -17.443 1.00 28.47 C ANISOU 866 C TRP A 106 3647 2597 4573 31 438 253 C ATOM 867 O TRP A 106 -23.156 19.499 -16.203 1.00 27.14 O ANISOU 867 O TRP A 106 3507 2414 4389 17 531 175 O ATOM 868 CB TRP A 106 -23.744 17.191 -18.529 1.00 25.07 C ANISOU 868 CB TRP A 106 3162 2314 4050 66 389 290 C ATOM 869 CG TRP A 106 -24.720 16.082 -18.830 1.00 26.11 C ANISOU 869 CG TRP A 106 3234 2463 4224 111 382 278 C ATOM 870 CD1 TRP A 106 -25.930 15.889 -18.272 1.00 29.38 C ANISOU 870 CD1 TRP A 106 3590 2808 4766 151 433 222 C ATOM 871 CD2 TRP A 106 -24.569 15.077 -19.834 1.00 28.01 C ANISOU 871 CD2 TRP A 106 3464 2794 4386 114 316 323 C ATOM 872 NE1 TRP A 106 -26.542 14.791 -18.817 1.00 33.54 N ANISOU 872 NE1 TRP A 106 4070 3374 5298 177 403 230 N ATOM 873 CE2 TRP A 106 -25.718 14.266 -19.785 1.00 33.78 C ANISOU 873 CE2 TRP A 106 4133 3502 5201 156 329 291 C ATOM 874 CE3 TRP A 106 -23.535 14.749 -20.729 1.00 29.77 C ANISOU 874 CE3 TRP A 106 3723 3118 4470 82 257 378 C ATOM 875 CZ2 TRP A 106 -25.890 13.141 -20.629 1.00 32.67 C ANISOU 875 CZ2 TRP A 106 3970 3429 5013 168 273 315 C ATOM 876 CZ3 TRP A 106 -23.680 13.583 -21.541 1.00 31.54 C ANISOU 876 CZ3 TRP A 106 3925 3417 4640 97 212 393 C ATOM 877 CH2 TRP A 106 -24.860 12.812 -21.478 1.00 33.40 C ANISOU 877 CH2 TRP A 106 4105 3620 4966 141 216 363 C ATOM 0 H TRP A 106 -25.295 18.607 -19.776 1.00 28.51 H new ATOM 0 HA TRP A 106 -25.005 18.189 -17.232 1.00 26.83 H new ATOM 0 HB2 TRP A 106 -23.267 17.427 -19.340 1.00 25.07 H new ATOM 0 HB3 TRP A 106 -23.084 16.873 -17.893 1.00 25.07 H new ATOM 0 HD1 TRP A 106 -26.299 16.426 -17.609 1.00 29.38 H new ATOM 0 HE1 TRP A 106 -27.312 14.482 -18.592 1.00 33.54 H new ATOM 0 HE3 TRP A 106 -22.774 15.280 -20.791 1.00 29.77 H new ATOM 0 HZ2 TRP A 106 -26.674 12.641 -20.609 1.00 32.67 H new ATOM 0 HZ3 TRP A 106 -22.993 13.331 -22.114 1.00 31.54 H new ATOM 0 HH2 TRP A 106 -24.943 12.064 -22.024 1.00 33.40 H new ATOM 878 N SER A 107 -22.634 20.044 -18.367 1.00 28.01 N ANISOU 878 N SER A 107 3621 2552 4470 -6 355 336 N ATOM 879 CA SER A 107 -21.607 21.001 -17.960 1.00 30.33 C ANISOU 879 CA SER A 107 3977 2832 4717 -64 368 337 C ATOM 880 C SER A 107 -22.201 22.174 -17.147 1.00 28.92 C ANISOU 880 C SER A 107 3800 2507 4681 -48 407 282 C ATOM 881 O SER A 107 -21.610 22.633 -16.167 1.00 28.25 O ANISOU 881 O SER A 107 3761 2408 4565 -83 469 224 O ATOM 882 CB SER A 107 -20.875 21.592 -19.167 1.00 36.71 C ANISOU 882 CB SER A 107 4813 3664 5469 -113 272 442 C ATOM 883 OG SER A 107 -20.028 20.643 -19.728 1.00 40.96 O ANISOU 883 OG SER A 107 5360 4347 5858 -142 257 473 O ATOM 0 H SER A 107 -22.723 19.945 -19.217 1.00 28.01 H new ATOM 0 HA SER A 107 -20.986 20.501 -17.408 1.00 30.33 H new ATOM 0 HB2 SER A 107 -21.518 21.892 -19.828 1.00 36.71 H new ATOM 0 HB3 SER A 107 -20.364 22.370 -18.894 1.00 36.71 H new ATOM 0 HG SER A 107 -20.464 20.153 -20.253 1.00 40.96 H new ATOM 884 N THR A 108 -23.351 22.674 -17.584 1.00 32.17 N ANISOU 884 N THR A 108 4163 2808 5253 5 364 296 N ATOM 885 CA THR A 108 -24.005 23.763 -16.852 1.00 32.91 C ANISOU 885 CA THR A 108 4247 2754 5504 32 401 232 C ATOM 886 C THR A 108 -24.395 23.349 -15.437 1.00 32.32 C ANISOU 886 C THR A 108 4161 2677 5444 50 536 106 C ATOM 887 O THR A 108 -24.203 24.132 -14.492 1.00 33.20 O ANISOU 887 O THR A 108 4308 2722 5585 32 600 35 O ATOM 888 CB THR A 108 -25.186 24.279 -17.647 1.00 36.30 C ANISOU 888 CB THR A 108 4613 3068 6111 93 318 272 C ATOM 889 OG1 THR A 108 -24.648 24.837 -18.835 1.00 38.89 O ANISOU 889 OG1 THR A 108 4980 3393 6403 57 196 393 O ATOM 890 CG2 THR A 108 -25.852 25.386 -16.906 1.00 38.42 C ANISOU 890 CG2 THR A 108 4863 3180 6554 129 357 197 C ATOM 0 H THR A 108 -23.766 22.406 -18.288 1.00 32.17 H new ATOM 0 HA THR A 108 -23.370 24.489 -16.748 1.00 32.91 H new ATOM 0 HB THR A 108 -25.823 23.567 -17.813 1.00 36.30 H new ATOM 0 HG1 THR A 108 -24.498 24.224 -19.390 1.00 38.89 H new ATOM 0 HG21 THR A 108 -26.607 25.712 -17.420 1.00 38.42 H new ATOM 0 HG22 THR A 108 -26.163 25.060 -16.047 1.00 38.42 H new ATOM 0 HG23 THR A 108 -25.220 26.109 -16.767 1.00 38.42 H new ATOM 891 N GLU A 109 -24.908 22.121 -15.304 1.00 31.17 N ANISOU 891 N GLU A 109 3972 2603 5269 77 578 79 N ATOM 892 CA GLU A 109 -25.308 21.586 -14.027 1.00 31.87 C ANISOU 892 CA GLU A 109 4055 2701 5355 84 707 -31 C ATOM 893 C GLU A 109 -24.069 21.398 -13.135 1.00 29.16 C ANISOU 893 C GLU A 109 3801 2438 4842 18 763 -62 C ATOM 894 O GLU A 109 -24.114 21.681 -11.894 1.00 28.58 O ANISOU 894 O GLU A 109 3760 2330 4769 2 864 -158 O ATOM 895 CB GLU A 109 -26.120 20.294 -14.170 1.00 33.35 C ANISOU 895 CB GLU A 109 4179 2943 5548 120 730 -40 C ATOM 896 CG GLU A 109 -27.499 20.514 -14.730 1.00 36.68 C ANISOU 896 CG GLU A 109 4501 3272 6162 186 695 -40 C ATOM 897 CD GLU A 109 -28.295 21.409 -13.844 1.00 40.41 C ANISOU 897 CD GLU A 109 4940 3622 6791 215 779 -139 C ATOM 898 OE1 GLU A 109 -28.469 21.019 -12.674 1.00 43.64 O ANISOU 898 OE1 GLU A 109 5360 4050 7171 199 909 -235 O ATOM 899 OE2 GLU A 109 -28.711 22.507 -14.273 1.00 44.24 O ANISOU 899 OE2 GLU A 109 5394 3992 7424 249 719 -125 O ATOM 0 H GLU A 109 -25.029 21.582 -15.963 1.00 31.17 H new ATOM 0 HA GLU A 109 -25.901 22.223 -13.599 1.00 31.87 H new ATOM 0 HB2 GLU A 109 -25.639 19.679 -14.746 1.00 33.35 H new ATOM 0 HB3 GLU A 109 -26.195 19.869 -13.301 1.00 33.35 H new ATOM 0 HG2 GLU A 109 -27.434 20.904 -15.616 1.00 36.68 H new ATOM 0 HG3 GLU A 109 -27.953 19.662 -14.827 1.00 36.68 H new ATOM 900 N LEU A 110 -22.954 20.951 -13.727 1.00 26.31 N ANISOU 900 N LEU A 110 3478 2182 4336 -21 700 11 N ATOM 901 CA LEU A 110 -21.733 20.790 -12.954 1.00 27.04 C ANISOU 901 CA LEU A 110 3645 2350 4279 -81 735 -14 C ATOM 902 C LEU A 110 -21.259 22.170 -12.421 1.00 26.57 C ANISOU 902 C LEU A 110 3635 2208 4252 -119 747 -45 C ATOM 903 O LEU A 110 -20.866 22.314 -11.284 1.00 27.27 O ANISOU 903 O LEU A 110 3777 2298 4287 -152 817 -118 O ATOM 904 CB LEU A 110 -20.611 20.230 -13.865 1.00 27.95 C ANISOU 904 CB LEU A 110 3775 2585 4260 -113 655 72 C ATOM 905 CG LEU A 110 -19.252 20.219 -13.206 1.00 31.05 C ANISOU 905 CG LEU A 110 4231 3050 4515 -175 670 54 C ATOM 906 CD1 LEU A 110 -19.342 19.382 -11.974 1.00 31.54 C ANISOU 906 CD1 LEU A 110 4322 3146 4516 -174 753 -24 C ATOM 907 CD2 LEU A 110 -18.288 19.650 -14.236 1.00 31.82 C ANISOU 907 CD2 LEU A 110 4321 3262 4506 -197 595 132 C ATOM 0 H LEU A 110 -22.891 20.741 -14.559 1.00 26.31 H new ATOM 0 HA LEU A 110 -21.913 20.185 -12.217 1.00 27.04 H new ATOM 0 HB2 LEU A 110 -20.841 19.326 -14.131 1.00 27.95 H new ATOM 0 HB3 LEU A 110 -20.566 20.762 -14.675 1.00 27.95 H new ATOM 0 HG LEU A 110 -18.943 21.097 -12.934 1.00 31.05 H new ATOM 0 HD11 LEU A 110 -18.478 19.361 -11.533 1.00 31.54 H new ATOM 0 HD12 LEU A 110 -20.002 19.761 -11.373 1.00 31.54 H new ATOM 0 HD13 LEU A 110 -19.604 18.480 -12.214 1.00 31.54 H new ATOM 0 HD21 LEU A 110 -17.394 19.621 -13.861 1.00 31.82 H new ATOM 0 HD22 LEU A 110 -18.566 18.753 -14.479 1.00 31.82 H new ATOM 0 HD23 LEU A 110 -18.289 20.213 -15.026 1.00 31.82 H new ATOM 908 N THR A 111 -21.268 23.175 -13.283 1.00 30.19 N ANISOU 908 N THR A 111 4084 2594 4793 -119 670 17 N ATOM 909 CA THR A 111 -20.895 24.538 -12.885 1.00 29.73 C ANISOU 909 CA THR A 111 4071 2438 4786 -154 670 -7 C ATOM 910 C THR A 111 -21.763 25.048 -11.727 1.00 28.52 C ANISOU 910 C THR A 111 3916 2177 4744 -124 768 -127 C ATOM 911 O THR A 111 -21.278 25.688 -10.832 1.00 31.24 O ANISOU 911 O THR A 111 4317 2487 5065 -164 814 -192 O ATOM 912 CB THR A 111 -20.994 25.441 -14.067 1.00 32.69 C ANISOU 912 CB THR A 111 4432 2739 5250 -151 566 86 C ATOM 913 OG1 THR A 111 -19.963 25.047 -14.987 1.00 35.39 O ANISOU 913 OG1 THR A 111 4792 3195 5459 -201 495 183 O ATOM 914 CG2 THR A 111 -20.765 26.881 -13.636 1.00 34.46 C ANISOU 914 CG2 THR A 111 4702 2838 5554 -181 564 56 C ATOM 0 H THR A 111 -21.488 23.095 -14.111 1.00 30.19 H new ATOM 0 HA THR A 111 -19.979 24.528 -12.565 1.00 29.73 H new ATOM 0 HB THR A 111 -21.871 25.378 -14.476 1.00 32.69 H new ATOM 0 HG1 THR A 111 -20.257 24.450 -15.499 1.00 35.39 H new ATOM 0 HG21 THR A 111 -20.830 27.464 -14.408 1.00 34.46 H new ATOM 0 HG22 THR A 111 -21.436 27.134 -12.982 1.00 34.46 H new ATOM 0 HG23 THR A 111 -19.883 26.965 -13.242 1.00 34.46 H new ATOM 915 N LYS A 112 -23.035 24.784 -11.790 1.00 26.71 N ANISOU 915 N LYS A 112 3616 1894 4637 -57 797 -157 N ATOM 916 CA LYS A 112 -23.943 25.186 -10.750 1.00 29.87 C ANISOU 916 CA LYS A 112 3999 2200 5150 -26 902 -279 C ATOM 917 C LYS A 112 -23.514 24.631 -9.427 1.00 30.74 C ANISOU 917 C LYS A 112 4170 2381 5127 -70 1013 -368 C ATOM 918 O LYS A 112 -23.541 25.315 -8.461 1.00 34.91 O ANISOU 918 O LYS A 112 4739 2847 5681 -88 1086 -462 O ATOM 919 CB LYS A 112 -25.378 24.765 -11.106 1.00 32.25 C ANISOU 919 CB LYS A 112 4198 2457 5599 52 916 -293 C ATOM 920 CG LYS A 112 -26.095 25.762 -11.877 1.00 33.60 C ANISOU 920 CG LYS A 112 4313 2493 5960 105 838 -262 C ATOM 921 CD LYS A 112 -27.238 25.320 -12.649 1.00 47.96 C ANISOU 921 CD LYS A 112 6030 4287 7905 175 795 -231 C ATOM 922 CE LYS A 112 -28.336 24.899 -11.852 1.00 50.47 C ANISOU 922 CE LYS A 112 6278 4581 8317 217 912 -342 C ATOM 923 NZ LYS A 112 -29.442 24.681 -12.773 1.00 52.52 N ANISOU 923 NZ LYS A 112 6429 4797 8729 286 840 -301 N ATOM 0 H LYS A 112 -23.406 24.362 -12.441 1.00 26.71 H new ATOM 0 HA LYS A 112 -23.927 26.153 -10.675 1.00 29.87 H new ATOM 0 HB2 LYS A 112 -25.350 23.936 -11.609 1.00 32.25 H new ATOM 0 HB3 LYS A 112 -25.867 24.584 -10.288 1.00 32.25 H new ATOM 0 HG2 LYS A 112 -26.396 26.452 -11.266 1.00 33.60 H new ATOM 0 HG3 LYS A 112 -25.465 26.178 -12.487 1.00 33.60 H new ATOM 0 HD2 LYS A 112 -27.527 26.043 -13.228 1.00 47.96 H new ATOM 0 HD3 LYS A 112 -26.966 24.588 -13.224 1.00 47.96 H new ATOM 0 HE2 LYS A 112 -28.122 24.086 -11.368 1.00 50.47 H new ATOM 0 HE3 LYS A 112 -28.563 25.571 -11.191 1.00 50.47 H new ATOM 0 HZ1 LYS A 112 -30.184 24.513 -12.311 1.00 52.52 H new ATOM 0 HZ2 LYS A 112 -29.561 25.409 -13.272 1.00 52.52 H new ATOM 0 HZ3 LYS A 112 -29.258 23.988 -13.300 1.00 52.52 H new ATOM 924 N LYS A 113 -23.112 23.356 -9.412 1.00 26.78 N ANISOU 924 N LYS A 113 3681 2011 4483 -89 1018 -337 N ATOM 925 CA LYS A 113 -22.644 22.672 -8.195 1.00 28.10 C ANISOU 925 CA LYS A 113 3916 2256 4504 -135 1106 -404 C ATOM 926 C LYS A 113 -21.328 23.235 -7.729 1.00 27.90 C ANISOU 926 C LYS A 113 3980 2257 4365 -204 1082 -408 C ATOM 927 O LYS A 113 -21.111 23.385 -6.525 1.00 29.86 O ANISOU 927 O LYS A 113 4294 2501 4550 -243 1160 -496 O ATOM 928 CB LYS A 113 -22.495 21.169 -8.405 1.00 26.75 C ANISOU 928 CB LYS A 113 3736 2208 4218 -134 1095 -357 C ATOM 929 CG LYS A 113 -23.832 20.426 -8.581 1.00 26.44 C ANISOU 929 CG LYS A 113 3617 2153 4276 -79 1141 -374 C ATOM 930 CD LYS A 113 -23.733 18.963 -8.980 1.00 26.95 C ANISOU 930 CD LYS A 113 3668 2326 4246 -74 1113 -318 C ATOM 931 CE LYS A 113 -25.081 18.411 -9.326 1.00 30.40 C ANISOU 931 CE LYS A 113 4015 2732 4803 -22 1142 -327 C ATOM 932 NZ LYS A 113 -25.943 18.609 -8.105 1.00 33.46 N ANISOU 932 NZ LYS A 113 4402 3061 5249 -28 1282 -442 N ATOM 0 H LYS A 113 -23.103 22.858 -10.113 1.00 26.78 H new ATOM 0 HA LYS A 113 -23.321 22.824 -7.517 1.00 28.10 H new ATOM 0 HB2 LYS A 113 -21.944 21.014 -9.188 1.00 26.75 H new ATOM 0 HB3 LYS A 113 -22.023 20.791 -7.647 1.00 26.75 H new ATOM 0 HG2 LYS A 113 -24.326 20.483 -7.748 1.00 26.44 H new ATOM 0 HG3 LYS A 113 -24.354 20.892 -9.253 1.00 26.44 H new ATOM 0 HD2 LYS A 113 -23.137 18.871 -9.740 1.00 26.95 H new ATOM 0 HD3 LYS A 113 -23.347 18.451 -8.252 1.00 26.95 H new ATOM 0 HE2 LYS A 113 -25.457 18.870 -10.093 1.00 30.40 H new ATOM 0 HE3 LYS A 113 -25.021 17.471 -9.559 1.00 30.40 H new ATOM 0 HZ1 LYS A 113 -26.447 17.887 -7.977 1.00 33.46 H new ATOM 0 HZ2 LYS A 113 -25.425 18.738 -7.393 1.00 33.46 H new ATOM 0 HZ3 LYS A 113 -26.466 19.319 -8.223 1.00 33.46 H new ATOM 933 N VAL A 114 -20.382 23.408 -8.660 1.00 27.42 N ANISOU 933 N VAL A 114 3924 2239 4257 -227 976 -312 N ATOM 934 CA VAL A 114 -19.111 24.075 -8.312 1.00 28.87 C ANISOU 934 CA VAL A 114 4179 2439 4353 -297 945 -312 C ATOM 935 C VAL A 114 -19.301 25.490 -7.712 1.00 31.01 C ANISOU 935 C VAL A 114 4484 2577 4723 -313 979 -386 C ATOM 936 O VAL A 114 -18.718 25.815 -6.636 1.00 35.71 O ANISOU 936 O VAL A 114 5153 3173 5242 -366 1024 -461 O ATOM 937 CB VAL A 114 -18.093 24.023 -9.507 1.00 30.51 C ANISOU 937 CB VAL A 114 4372 2719 4500 -324 832 -196 C ATOM 938 CG1 VAL A 114 -16.776 24.868 -9.207 1.00 34.29 C ANISOU 938 CG1 VAL A 114 4914 3206 4910 -404 797 -196 C ATOM 939 CG2 VAL A 114 -17.822 22.616 -9.855 1.00 30.10 C ANISOU 939 CG2 VAL A 114 4298 2798 4343 -311 813 -151 C ATOM 0 H VAL A 114 -20.449 23.155 -9.479 1.00 27.42 H new ATOM 0 HA VAL A 114 -18.713 23.566 -7.589 1.00 28.87 H new ATOM 0 HB VAL A 114 -18.488 24.449 -10.284 1.00 30.51 H new ATOM 0 HG11 VAL A 114 -16.175 24.811 -9.966 1.00 34.29 H new ATOM 0 HG12 VAL A 114 -17.014 25.796 -9.053 1.00 34.29 H new ATOM 0 HG13 VAL A 114 -16.336 24.513 -8.419 1.00 34.29 H new ATOM 0 HG21 VAL A 114 -17.193 22.580 -10.593 1.00 30.10 H new ATOM 0 HG22 VAL A 114 -17.445 22.159 -9.087 1.00 30.10 H new ATOM 0 HG23 VAL A 114 -18.650 22.181 -10.114 1.00 30.10 H new ATOM 940 N ILE A 115 -20.160 26.339 -8.311 1.00 29.17 N ANISOU 940 N ILE A 115 4201 2221 4662 -265 959 -377 N ATOM 941 CA ILE A 115 -20.430 27.682 -7.790 1.00 33.65 C ANISOU 941 CA ILE A 115 4794 2646 5346 -270 988 -453 C ATOM 942 C ILE A 115 -20.993 27.608 -6.371 1.00 36.47 C ANISOU 942 C ILE A 115 5181 2976 5699 -267 1122 -598 C ATOM 943 O ILE A 115 -20.536 28.368 -5.497 1.00 36.39 O ANISOU 943 O ILE A 115 5242 2921 5664 -315 1159 -678 O ATOM 944 CB ILE A 115 -21.456 28.355 -8.670 1.00 36.62 C ANISOU 944 CB ILE A 115 5097 2896 5920 -201 943 -420 C ATOM 945 CG1 ILE A 115 -20.820 28.720 -10.022 1.00 37.06 C ANISOU 945 CG1 ILE A 115 5149 2958 5976 -222 807 -279 C ATOM 946 CG2 ILE A 115 -22.103 29.591 -8.000 1.00 41.15 C ANISOU 946 CG2 ILE A 115 5678 3304 6652 -178 996 -529 C ATOM 947 CD1 ILE A 115 -21.906 29.478 -10.851 1.00 42.76 C ANISOU 947 CD1 ILE A 115 5808 3536 6905 -152 749 -244 C ATOM 0 H ILE A 115 -20.597 26.147 -9.027 1.00 29.17 H new ATOM 0 HA ILE A 115 -19.599 28.182 -7.781 1.00 33.65 H new ATOM 0 HB ILE A 115 -22.178 27.724 -8.816 1.00 36.62 H new ATOM 0 HG12 ILE A 115 -20.037 29.277 -9.893 1.00 37.06 H new ATOM 0 HG13 ILE A 115 -20.527 27.922 -10.489 1.00 37.06 H new ATOM 0 HG21 ILE A 115 -22.752 29.985 -8.604 1.00 41.15 H new ATOM 0 HG22 ILE A 115 -22.547 29.320 -7.181 1.00 41.15 H new ATOM 0 HG23 ILE A 115 -21.416 30.244 -7.794 1.00 41.15 H new ATOM 0 HD11 ILE A 115 -21.540 29.726 -11.714 1.00 42.76 H new ATOM 0 HD12 ILE A 115 -22.676 28.902 -10.980 1.00 42.76 H new ATOM 0 HD13 ILE A 115 -22.178 30.278 -10.374 1.00 42.76 H new ATOM 948 N LYS A 116 -21.931 26.654 -6.145 1.00 35.36 N ANISOU 948 N LYS A 116 4992 2873 5571 -222 1195 -631 N ATOM 949 CA LYS A 116 -22.530 26.464 -4.821 1.00 38.45 C ANISOU 949 CA LYS A 116 5411 3252 5945 -228 1336 -766 C ATOM 950 C LYS A 116 -21.422 26.054 -3.855 1.00 40.75 C ANISOU 950 C LYS A 116 5811 3642 6030 -310 1359 -793 C ATOM 951 O LYS A 116 -21.370 26.590 -2.766 1.00 45.50 O ANISOU 951 O LYS A 116 6480 4205 6606 -348 1437 -901 O ATOM 952 CB LYS A 116 -23.726 25.485 -4.801 1.00 39.47 C ANISOU 952 CB LYS A 116 5466 3407 6125 -175 1411 -788 C ATOM 0 H LYS A 116 -22.224 26.116 -6.749 1.00 35.36 H new ATOM 0 HA LYS A 116 -22.923 27.305 -4.541 1.00 38.45 H new ATOM 953 N SER A 117 -20.526 25.149 -4.234 1.00 32.93 N ANISOU 953 N SER A 117 4839 2776 4897 -339 1287 -700 N ATOM 954 CA SER A 117 -19.503 24.674 -3.328 1.00 36.22 C ANISOU 954 CA SER A 117 5350 3286 5125 -410 1295 -722 C ATOM 955 C SER A 117 -18.704 25.880 -2.777 1.00 44.21 C ANISOU 955 C SER A 117 6435 4240 6121 -469 1279 -774 C ATOM 956 O SER A 117 -18.198 25.880 -1.669 1.00 46.47 O ANISOU 956 O SER A 117 6810 4556 6291 -528 1320 -845 O ATOM 957 CB SER A 117 -18.635 23.563 -4.004 1.00 31.03 C ANISOU 957 CB SER A 117 4681 2761 4346 -419 1202 -609 C ATOM 958 OG SER A 117 -17.607 24.106 -4.806 1.00 34.77 O ANISOU 958 OG SER A 117 5150 3250 4812 -444 1095 -532 O ATOM 0 H SER A 117 -20.498 24.798 -5.019 1.00 32.93 H new ATOM 0 HA SER A 117 -19.902 24.239 -2.558 1.00 36.22 H new ATOM 0 HB2 SER A 117 -18.245 22.998 -3.319 1.00 31.03 H new ATOM 0 HB3 SER A 117 -19.204 22.997 -4.549 1.00 31.03 H new ATOM 0 HG SER A 117 -17.938 24.641 -5.362 1.00 34.77 H new ATOM 959 N TYR A 118 -18.633 26.954 -3.527 1.00 52.10 N ANISOU 959 N TYR A 118 7402 5150 7243 -457 1219 -742 N ATOM 960 CA TYR A 118 -17.935 28.113 -2.987 1.00 57.17 C ANISOU 960 CA TYR A 118 8114 5726 7881 -516 1206 -798 C ATOM 961 C TYR A 118 -18.712 29.063 -2.110 1.00 61.67 C ANISOU 961 C TYR A 118 8712 6167 8551 -508 1304 -935 C ATOM 962 O TYR A 118 -18.463 30.242 -2.183 1.00 63.91 O ANISOU 962 O TYR A 118 9016 6349 8918 -526 1272 -958 O ATOM 963 CB TYR A 118 -17.256 28.871 -4.088 1.00 55.17 C ANISOU 963 CB TYR A 118 7835 5440 7687 -531 1090 -699 C ATOM 964 CG TYR A 118 -16.161 28.086 -4.655 1.00 54.56 C ANISOU 964 CG TYR A 118 7754 5500 7478 -566 1006 -595 C ATOM 965 CD1 TYR A 118 -15.100 27.691 -3.856 1.00 56.93 C ANISOU 965 CD1 TYR A 118 8119 5894 7616 -634 998 -620 C ATOM 966 CD2 TYR A 118 -16.160 27.723 -5.981 1.00 52.35 C ANISOU 966 CD2 TYR A 118 7402 5258 7231 -534 932 -476 C ATOM 967 CE1 TYR A 118 -14.101 26.955 -4.353 1.00 57.15 C ANISOU 967 CE1 TYR A 118 8132 6046 7536 -660 922 -536 C ATOM 968 CE2 TYR A 118 -15.150 26.986 -6.486 1.00 53.90 C ANISOU 968 CE2 TYR A 118 7588 5583 7307 -565 865 -395 C ATOM 969 CZ TYR A 118 -14.127 26.598 -5.667 1.00 55.68 C ANISOU 969 CZ TYR A 118 7870 5898 7389 -625 862 -427 C ATOM 970 OH TYR A 118 -13.081 25.870 -6.171 1.00 55.70 O ANISOU 970 OH TYR A 118 7851 6027 7285 -651 793 -354 O ATOM 0 H TYR A 118 -18.963 27.042 -4.316 1.00 52.10 H new ATOM 0 HA TYR A 118 -17.299 27.714 -2.372 1.00 57.17 H new ATOM 0 HB2 TYR A 118 -17.898 29.088 -4.782 1.00 55.17 H new ATOM 0 HB3 TYR A 118 -16.914 29.712 -3.745 1.00 55.17 H new ATOM 0 HD1 TYR A 118 -15.083 27.942 -2.961 1.00 56.93 H new ATOM 0 HD2 TYR A 118 -16.860 27.987 -6.533 1.00 52.35 H new ATOM 0 HE1 TYR A 118 -13.396 26.690 -3.808 1.00 57.15 H new ATOM 0 HE2 TYR A 118 -15.150 26.744 -7.384 1.00 53.90 H new ATOM 0 HH TYR A 118 -13.215 25.714 -6.985 1.00 55.70 H new ATOM 971 N ALA A 119 -19.568 28.550 -1.222 1.00 64.35 N ANISOU 971 N ALA A 119 9061 6514 8873 -490 1427 -1033 N ATOM 972 CA ALA A 119 -20.399 29.397 -0.366 1.00 69.22 C ANISOU 972 CA ALA A 119 9697 7014 9591 -478 1540 -1181 C ATOM 973 C ALA A 119 -21.207 30.360 -1.225 1.00 69.82 C ANISOU 973 C ALA A 119 9684 6943 9902 -403 1512 -1173 C ATOM 974 O ALA A 119 -21.544 30.043 -2.364 1.00 68.00 O ANISOU 974 O ALA A 119 9367 6716 9754 -348 1442 -1066 O ATOM 975 CB ALA A 119 -19.559 30.174 0.605 1.00 71.60 C ANISOU 975 CB ALA A 119 10110 7291 9805 -558 1549 -1267 C ATOM 0 H ALA A 119 -19.682 27.706 -1.101 1.00 64.35 H new ATOM 0 HA ALA A 119 -20.998 28.824 0.138 1.00 69.22 H new ATOM 0 HB1 ALA A 119 -20.132 30.726 1.159 1.00 71.60 H new ATOM 0 HB2 ALA A 119 -19.061 29.559 1.167 1.00 71.60 H new ATOM 0 HB3 ALA A 119 -18.940 30.739 0.117 1.00 71.60 H new TER 976 ALA A 119 HETATM 977 C ACT A 120 -26.893 27.604 -21.580 1.00 45.92 C HETATM 978 O ACT A 120 -26.871 27.728 -20.354 1.00 45.20 O HETATM 979 OXT ACT A 120 -25.800 27.907 -22.120 1.00 50.94 O HETATM 980 CH3 ACT A 120 -27.921 26.675 -22.154 1.00 48.35 C HETATM 0 H3 ACT A 120 -27.780 25.781 -21.805 1.00 48.35 H new HETATM 0 H2 ACT A 120 -28.808 26.982 -21.908 1.00 48.35 H new HETATM 0 H1 ACT A 120 -27.841 26.661 -23.121 1.00 48.35 H new HETATM 981 NA NA A 121 -7.573 -3.945 -29.805 1.00 34.71 NA HETATM 982 C1 GOL A1816 -4.743 3.787 -28.166 1.00 43.72 C HETATM 983 O1 GOL A1816 -4.728 2.428 -27.833 1.00 38.66 O HETATM 984 C2 GOL A1816 -5.547 4.787 -27.336 1.00 45.65 C HETATM 985 O2 GOL A1816 -6.845 4.436 -27.217 1.00 53.78 O HETATM 986 C3 GOL A1816 -5.383 6.255 -27.627 1.00 45.29 C HETATM 987 O3 GOL A1816 -4.115 6.807 -27.975 1.00 44.69 O HETATM 0 HO3 GOL A1816 -4.216 7.598 -28.238 1.00 44.69 H new HETATM 0 HO1 GOL A1816 -5.263 2.012 -28.329 1.00 38.66 H new HETATM 0 H32 GOL A1816 -5.992 6.469 -28.351 1.00 45.29 H new HETATM 0 H31 GOL A1816 -5.694 6.735 -26.843 1.00 45.29 H new HETATM 0 H2 GOL A1816 -5.112 4.706 -26.473 1.00 45.65 H new HETATM 0 H12 GOL A1816 -3.822 4.091 -28.165 1.00 43.72 H new HETATM 0 H11 GOL A1816 -5.062 3.853 -29.080 1.00 43.72 H new HETATM 988 O HOH A 122 -10.200 9.906 -14.376 1.00 28.66 O HETATM 989 O HOH A 123 -5.403 2.217 -21.526 1.00 20.22 O HETATM 990 O HOH A 124 0.000 0.000 -23.247 0.50 26.53 O HETATM 991 O HOH A 125 -16.494 12.753 -30.433 1.00 39.47 O HETATM 992 O HOH A 126 -26.788 21.390 -10.589 1.00 39.42 O HETATM 993 O HOH A 127 -16.865 10.462 -31.866 1.00 29.16 O HETATM 994 O HOH A 128 -11.167 10.923 -16.160 1.00 33.62 O HETATM 995 O HOH A 129 -28.121 15.319 -6.898 1.00 48.90 O HETATM 996 O HOH A 130 0.452 7.347 -14.873 1.00 38.06 O HETATM 997 O HOH A 131 -20.684 11.896 -14.665 1.00 28.48 O HETATM 998 O HOH A 132 -13.147 11.852 -21.166 1.00 40.54 O HETATM 999 O HOH A 133 -18.010 11.710 -15.110 1.00 27.31 O HETATM 1000 O HOH A 134 -22.388 21.838 -4.585 1.00 43.32 O HETATM 1001 O HOH A 135 -9.384 11.994 -18.075 1.00 29.88 O HETATM 1002 O HOH A 136 -3.320 7.860 -11.838 1.00 33.51 O HETATM 1003 O HOH A 137 -14.743 13.677 -21.361 1.00 46.90 O HETATM 1004 O HOH A 138 -12.356 13.650 -32.282 1.00 55.54 O HETATM 1005 O HOH A 139 -25.606 6.344 -12.350 1.00 40.34 O HETATM 1006 O HOH A 140 -16.013 13.723 -15.634 1.00 38.69 O HETATM 1007 O HOH A 141 -10.858 -7.331 -11.466 1.00 46.63 O HETATM 1008 O HOH A 142 -27.936 5.946 -29.729 1.00 40.72 O HETATM 1009 O HOH A 143 -28.813 15.281 -15.739 1.00 44.77 O HETATM 1010 O HOH A 144 -4.313 10.491 -4.824 1.00 49.78 O HETATM 1011 O HOH A 145 -19.979 31.182 -5.815 1.00 46.91 O HETATM 1012 O HOH A 146 -17.865 11.045 -34.381 1.00 44.91 O HETATM 1013 O HOH A 147 -15.601 15.886 -13.528 1.00 37.72 O HETATM 1014 O HOH A 148 -13.578 14.737 -26.670 1.00 40.78 O HETATM 1015 O HOH A 149 -26.691 11.576 -6.931 1.00 45.97 O HETATM 1016 O HOH A 150 -27.308 21.808 -7.973 1.00 49.62 O HETATM 1017 O HOH A 151 -18.507 22.926 -16.400 1.00 38.81 O HETATM 1018 O HOH A 152 -14.228 3.022 -32.222 1.00 34.25 O HETATM 1019 O HOH A 153 -31.022 8.567 -25.044 1.00 48.44 O HETATM 1020 O HOH A 154 -16.489 -0.545 -30.575 1.00 39.54 O HETATM 1021 O HOH A 155 -29.591 14.426 -19.405 1.00 38.28 O HETATM 1022 O HOH A 156 -10.787 13.206 -20.287 1.00 43.56 O HETATM 1023 O HOH A 157 -15.924 17.580 -15.744 1.00 50.69 O HETATM 1024 O HOH A 158 -0.312 6.001 -21.806 1.00 35.40 O HETATM 1025 O HOH A 159 -19.395 -2.097 -11.713 1.00 48.52 O HETATM 1026 O HOH A 160 -28.109 18.041 -11.664 1.00 53.35 O HETATM 1027 O HOH A 161 -26.749 14.925 -10.707 1.00 34.23 O HETATM 1028 O HOH A 162 -27.903 17.110 -10.090 1.00 48.14 O HETATM 1029 O HOH A 163 -20.418 17.891 -20.428 1.00 43.93 O HETATM 1030 O HOH A 164 -24.071 4.417 -11.585 1.00 48.12 O HETATM 1031 O HOH A 165 1.459 10.754 -12.514 1.00 42.41 O HETATM 1032 O HOH A 166 -14.009 5.042 -33.470 1.00 49.89 O HETATM 1033 O HOH A 167 2.164 5.731 -13.430 1.00 50.17 O HETATM 1034 O HOH A 168 -8.261 -5.228 -23.637 1.00 50.25 O HETATM 1035 O HOH A 169 -16.742 14.505 -32.435 1.00 49.67 O HETATM 1036 O HOH A 170 -29.845 7.431 -21.144 1.00 52.16 O HETATM 1037 O HOH A 171 -7.789 8.851 -30.878 1.00 31.55 O HETATM 1038 O HOH A 172 -13.224 13.211 -16.594 1.00 49.78 O HETATM 1039 O HOH A 173 0.000 0.000 -25.957 0.50 47.48 O HETATM 1040 O HOH A 174 -22.139 14.595 -6.081 1.00 41.62 O HETATM 1041 O HOH A 175 -1.519 -7.022 -19.164 1.00 51.66 O HETATM 1042 O HOH A 176 -29.199 6.402 -18.787 1.00 49.70 O HETATM 1043 O HOH A 177 -17.917 17.743 -20.159 1.00 45.03 O HETATM 1044 O HOH A 178 -28.145 4.925 -18.845 1.00 42.19 O HETATM 1045 O HOH A 179 -1.787 -3.190 -25.350 1.00 34.81 O HETATM 1046 O HOH A 180 -17.940 -1.277 0.773 1.00 54.39 O HETATM 1047 O HOH A 181 -19.251 0.000 0.000 0.50 70.60 O HETATM 1048 O HOH A 182 -21.728 5.124 -32.809 1.00 45.12 O HETATM 1049 O HOH A 183 3.602 7.525 -11.822 1.00 58.29 O HETATM 1050 O HOH A 184 -29.791 16.795 -14.238 1.00 51.92 O HETATM 1051 O HOH A 185 -6.250 1.888 -5.594 1.00 42.17 O HETATM 1052 O HOH A 186 -10.868 12.851 -2.312 1.00 31.59 O HETATM 1053 O HOH A 187 -31.555 8.655 -15.094 1.00 31.59 O HETATM 1054 O HOH A 188 -19.615 -0.886 -30.066 1.00 31.59 O HETATM 1055 O HOH A 189 -24.027 29.308 -23.729 1.00 31.59 O HETATM 1056 O HOH A 190 -16.894 17.842 -26.407 1.00 31.59 O HETATM 1057 O HOH A 191 -22.847 0.000 -15.635 0.50 30.50 O HETATM 1058 O HOH A 192 -28.816 23.269 -16.075 1.00 30.50 O CONECT 180 981 CONECT 208 981 CONECT 209 981 CONECT 977 978 979 980 CONECT 978 977 CONECT 979 977 CONECT 980 977 CONECT 981 180 208 209 CONECT 982 983 984 CONECT 983 982 CONECT 984 982 985 986 CONECT 985 984 CONECT 986 984 987 CONECT 987 986 END