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*** HYDROLASE 16-OCT-20 7AP7 ***elNémo ID: 2407290648321926925Job options:ID = 2407290648321926925 JOBID = HYDROLASE 16-OCT-20 7AP7 USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER HYDROLASE 16-OCT-20 7AP7 TITLE STRUCTURE OF THE W64R AMYLOIDOGENIC VARIANT OF HUMAN LYSOZYME COMPND MOL_ID: 1; COMPND 2 MOLECULE: LYSOZYME C; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: 1,4-BETA-N-ACETYLMURAMIDASE C; COMPND 5 EC: 3.2.1.17; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: LYZ, LZM; SOURCE 6 EXPRESSION_SYSTEM: KOMAGATAELLA PASTORIS; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 4922 KEYWDS LYSOZYME, AMYLOIDOSES, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR N.VETTORE,R.HERMAN,F.KERFF,P.CHARLIER,E.SAUVAGE,A.BRANS,J.MORRAY, AUTHOR 2 C.DOBSON,J.KUMITA,M.DUMOULIN REVDAT 2 31-JAN-24 7AP7 1 REMARK REVDAT 1 25-AUG-21 7AP7 0 JRNL AUTH N.VETTORE,J.MORAY,A.BRANS,R.HERMAN,P.CHARLIER,J.R.KUMITA, JRNL AUTH 2 F.KERFF,C.M.DOBSON,M.DUMOULIN JRNL TITL CHARACTERISATION OF THE STRUCTURAL, DYNAMIC AND AGGREGATION JRNL TITL 2 PROPERTIES OF THE W64R AMYLOIDOGENIC VARIANT OF HUMAN JRNL TITL 3 LYSOZYME. JRNL REF BIOPHYS.CHEM. V. 271 06563 2021 JRNL REFN ISSN 0301-4622 JRNL PMID 33640796 JRNL DOI 10.1016/J.BPC.2021.106563 REMARK 2 REMARK 2 RESOLUTION. 1.15 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX 1.10 REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.15 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.30 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.380 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.7 REMARK 3 NUMBER OF REFLECTIONS : 39365 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.162 REMARK 3 R VALUE (WORKING SET) : 0.161 REMARK 3 FREE R VALUE : 0.193 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.010 REMARK 3 FREE R VALUE TEST SET COUNT : 1973 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 30.2980 - 2.7654 1.00 2893 152 0.1686 0.1784 REMARK 3 2 2.7654 - 2.1952 0.99 2737 145 0.1343 0.1636 REMARK 3 3 2.1952 - 1.9178 0.99 2728 139 0.1341 0.1873 REMARK 3 4 1.9178 - 1.7425 1.00 2678 150 0.1310 0.1582 REMARK 3 5 1.7425 - 1.6176 1.00 2699 134 0.1288 0.1788 REMARK 3 6 1.6176 - 1.5222 1.00 2680 147 0.1365 0.1988 REMARK 3 7 1.5222 - 1.4460 1.00 2671 150 0.1421 0.2255 REMARK 3 8 1.4460 - 1.3830 0.99 2668 133 0.1724 0.2048 REMARK 3 9 1.3830 - 1.3298 0.99 2662 144 0.1854 0.2279 REMARK 3 10 1.3298 - 1.2839 0.99 2666 139 0.1991 0.2425 REMARK 3 11 1.2839 - 1.2438 0.99 2638 143 0.2280 0.2466 REMARK 3 12 1.2438 - 1.2082 0.99 2658 132 0.2551 0.2532 REMARK 3 13 1.2082 - 1.1764 0.99 2619 137 0.3032 0.3428 REMARK 3 14 1.1764 - 1.1500 0.90 2395 128 0.3357 0.3564 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : NULL REMARK 3 SOLVENT RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.47 REMARK 3 K_SOL : 0.44 REMARK 3 B_SOL : 45.09 REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.170 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 19.070 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 12.31 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 16.58 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 4.60740 REMARK 3 B22 (A**2) : -2.60950 REMARK 3 B33 (A**2) : -1.99790 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 : 0.022 1126 REMARK 3 ANGLE : 1.982 1526 REMARK 3 CHIRALITY : 0.121 158 REMARK 3 PLANARITY : 0.012 200 REMARK 3 DIHEDRAL : 12.409 429 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL 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 7AP7 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 16-OCT-20. REMARK 100 THE DEPOSITION ID IS D_1292111827. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 10-JUN-16 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SOLEIL REMARK 200 BEAMLINE : PROXIMA 2 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.980119943619 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : PIXEL REMARK 200 DETECTOR MANUFACTURER : DECTRIS EIGER X 9M REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : XSCALE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 39372 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.150 REMARK 200 RESOLUTION RANGE LOW (A) : 41.384 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.7 REMARK 200 DATA REDUNDANCY : 6.350 REMARK 200 R MERGE (I) : 0.08400 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 10.0400 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.15 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.22 REMARK 200 COMPLETENESS FOR SHELL (%) : 95.1 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.76900 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 1.750 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER 2.4.0 REMARK 200 STARTING MODEL: 1JSF REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 33.73 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.86 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 1.25M (NH4)2SO4, 0.1M CACODYLATE PH REMARK 280 6.5, 10 MM TRIS PH 7, 14.4 TP BUFFER, VAPOR DIFFUSION, SITTING REMARK 280 DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 15.88650 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 30.29850 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 28.32750 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 30.29850 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 15.88650 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 28.32750 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 400 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 7000 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -26.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 HH22 ARG A 107 O HOH A 301 1.48 REMARK 500 O HOH A 380 O HOH A 447 1.91 REMARK 500 O HOH A 446 O HOH A 455 1.98 REMARK 500 O HOH A 392 O HOH A 436 2.07 REMARK 500 O HOH A 379 O HOH A 426 2.08 REMARK 500 O HOH A 346 O HOH A 374 2.11 REMARK 500 O HOH A 310 O HOH A 405 2.17 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 HH22 ARG A 50 O HOH A 436 2554 1.52 REMARK 500 HH12 ARG A 107 O2 SO4 A 202 4544 1.53 REMARK 500 O1 SO4 A 202 O HOH A 301 4444 1.90 REMARK 500 O ASN A 118 O HOH A 436 3644 2.00 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 SER A 82 CB SER A 82 OG 0.086 REMARK 500 TRP A 112 CB TRP A 112 CG -0.138 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 ASP A 18 CB - CG - OD1 ANGL. DEV. = 5.5 DEGREES REMARK 500 ARG A 41 NE - CZ - NH2 ANGL. DEV. = -3.0 DEGREES REMARK 500 ASP A 87 CB - CG - OD1 ANGL. DEV. = 5.7 DEGREES REMARK 500 ARG A 107 NE - CZ - NH1 ANGL. DEV. = 4.5 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 ASN A 75 71.05 -112.17 REMARK 500 CYS A 116 -41.04 -131.71 REMARK 500 CYS A 116 -41.53 -131.53 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 462 DISTANCE = 6.08 ANGSTROMS REMARK 525 HOH A 463 DISTANCE = 6.45 ANGSTROMS REMARK 525 HOH A 464 DISTANCE = 6.71 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue SO4 A 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue SO4 A 202 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue SO4 A 203 DBREF 7AP7 A 1 130 UNP P61626 LYSC_HUMAN 19 148 SEQADV 7AP7 ARG A 64 UNP P61626 TRP 82 ENGINEERED MUTATION SEQRES 1 A 130 LYS VAL PHE GLU ARG CYS GLU LEU ALA ARG THR LEU LYS SEQRES 2 A 130 ARG LEU GLY MET ASP GLY TYR ARG GLY ILE SER LEU ALA SEQRES 3 A 130 ASN TRP MET CYS LEU ALA LYS TRP GLU SER GLY TYR ASN SEQRES 4 A 130 THR ARG ALA THR ASN TYR ASN ALA GLY ASP ARG SER THR SEQRES 5 A 130 ASP TYR GLY ILE PHE GLN ILE ASN SER ARG TYR ARG CYS SEQRES 6 A 130 ASN ASP GLY LYS THR PRO GLY ALA VAL ASN ALA CYS HIS SEQRES 7 A 130 LEU SER CYS SER ALA LEU LEU GLN ASP ASN ILE ALA ASP SEQRES 8 A 130 ALA VAL ALA CYS ALA LYS ARG VAL VAL ARG ASP PRO GLN SEQRES 9 A 130 GLY ILE ARG ALA TRP VAL ALA TRP ARG ASN ARG CYS GLN SEQRES 10 A 130 ASN ARG ASP VAL ARG GLN TYR VAL GLN GLY CYS GLY VAL HET SO4 A 201 5 HET SO4 A 202 5 HET SO4 A 203 5 HETNAM SO4 SULFATE ION FORMUL 2 SO4 3(O4 S 2-) FORMUL 5 HOH *164(H2 O) HELIX 1 AA1 GLU A 4 LEU A 15 1 12 HELIX 2 AA2 GLY A 19 ILE A 23 5 5 HELIX 3 AA3 SER A 24 GLY A 37 1 14 HELIX 4 AA4 SER A 80 GLN A 86 5 7 HELIX 5 AA5 ILE A 89 ASP A 102 1 14 HELIX 6 AA6 GLN A 104 ALA A 108 5 5 HELIX 7 AA7 TRP A 109 CYS A 116 1 8 HELIX 8 AA8 VAL A 121 VAL A 125 5 5 SHEET 1 AA1 3 THR A 43 TYR A 45 0 SHEET 2 AA1 3 THR A 52 TYR A 54 -1 O ASP A 53 N ASN A 44 SHEET 3 AA1 3 ILE A 59 ASN A 60 -1 O ILE A 59 N TYR A 54 SSBOND 1 CYS A 6 CYS A 128 1555 1555 2.08 SSBOND 2 CYS A 30 CYS A 116 1555 1555 2.11 SSBOND 3 CYS A 65 CYS A 81 1555 1555 2.07 SSBOND 4 CYS A 77 CYS A 95 1555 1555 2.07 SITE 1 AC1 9 LYS A 1 ARG A 41 ARG A 119 ASP A 120 SITE 2 AC1 9 HOH A 319 HOH A 324 HOH A 332 HOH A 391 SITE 3 AC1 9 HOH A 392 SITE 1 AC2 6 PRO A 71 GLY A 72 ARG A 107 ARG A 113 SITE 2 AC2 6 HOH A 301 HOH A 370 SITE 1 AC3 6 ARG A 62 ALA A 111 ARG A 115 HOH A 329 SITE 2 AC3 6 HOH A 377 HOH A 382 CRYST1 31.773 56.655 60.597 90.00 90.00 90.00 P 21 21 21 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.031473 0.000000 0.000000 0.00000 SCALE2 0.000000 0.017651 0.000000 0.00000 SCALE3 0.000000 0.000000 0.016502 0.00000 ATOM 1 N LYS A 1 10.423 -1.329 -10.729 1.00 12.51 N ANISOU 1 N LYS A 1 1947 1194 1612 -46 -90 9 N ATOM 2 CA LYS A 1 11.493 -1.861 -9.853 1.00 13.66 C ANISOU 2 CA LYS A 1 2166 1339 1684 75 -244 -90 C ATOM 3 C LYS A 1 12.110 -3.061 -10.561 1.00 10.92 C ANISOU 3 C LYS A 1 1592 1262 1293 -290 -259 32 C ATOM 4 O LYS A 1 11.393 -3.872 -11.163 1.00 11.61 O ANISOU 4 O LYS A 1 1531 1454 1428 -92 -244 -88 O ATOM 5 CB LYS A 1 10.782 -2.367 -8.592 1.00 17.78 C ANISOU 5 CB LYS A 1 3051 1815 1888 555 -152 -182 C ATOM 6 CG LYS A 1 11.481 -3.234 -7.653 1.00 20.36 C ANISOU 6 CG LYS A 1 3480 1868 2387 110 85 -58 C ATOM 7 CD LYS A 1 10.562 -3.563 -6.554 1.00 18.93 C ANISOU 7 CD LYS A 1 3145 1683 2363 -167 -5 -399 C ATOM 8 CE LYS A 1 11.399 -4.391 -5.643 1.00 20.29 C ANISOU 8 CE LYS A 1 3029 1733 2947 47 -310 -350 C ATOM 9 NZ LYS A 1 10.691 -4.467 -4.379 1.00 24.00 N ANISOU 9 NZ LYS A 1 3867 2074 3179 285 -692 -227 N ATOM 10 H1 LYS A 1 9.914 -0.672 -10.250 1.00 14.98 H ATOM 11 H2 LYS A 1 10.817 -0.924 -11.506 1.00 14.98 H ATOM 12 H3 LYS A 1 9.845 -2.046 -11.001 1.00 14.98 H ATOM 13 HA LYS A 1 12.169 -1.185 -9.636 1.00 16.36 H ATOM 14 HB2 LYS A 1 10.499 -1.589 -8.087 1.00 21.31 H ATOM 15 HB3 LYS A 1 9.994 -2.854 -8.879 1.00 21.31 H ATOM 16 HG2 LYS A 1 11.747 -4.055 -8.097 1.00 24.40 H ATOM 17 HG3 LYS A 1 12.253 -2.772 -7.289 1.00 24.40 H ATOM 18 HD2 LYS A 1 10.273 -2.759 -6.094 1.00 22.69 H ATOM 19 HD3 LYS A 1 9.812 -4.086 -6.877 1.00 22.69 H ATOM 20 HE2 LYS A 1 11.502 -5.286 -6.004 1.00 24.32 H ATOM 21 HE3 LYS A 1 12.260 -3.968 -5.501 1.00 24.32 H ATOM 22 HZ1 LYS A 1 11.157 -4.956 -3.799 1.00 28.78 H ATOM 23 HZ2 LYS A 1 10.579 -3.650 -4.044 1.00 28.78 H ATOM 24 HZ3 LYS A 1 9.894 -4.843 -4.499 1.00 28.78 H ATOM 25 N VAL A 2 13.421 -3.212 -10.472 1.00 10.63 N ANISOU 25 N VAL A 2 1244 1295 1501 -429 -174 47 N ATOM 26 CA VAL A 2 14.063 -4.452 -10.868 1.00 11.42 C ANISOU 26 CA VAL A 2 1454 1359 1526 -163 -104 35 C ATOM 27 C VAL A 2 14.360 -5.244 -9.619 1.00 12.75 C ANISOU 27 C VAL A 2 1888 1358 1599 -107 -226 -66 C ATOM 28 O VAL A 2 15.129 -4.811 -8.771 1.00 12.93 O ANISOU 28 O VAL A 2 1898 1427 1587 -157 -407 92 O ATOM 29 CB VAL A 2 15.380 -4.219 -11.604 1.00 12.52 C ANISOU 29 CB VAL A 2 1376 1649 1734 -86 -65 125 C ATOM 30 CG1 VAL A 2 15.937 -5.516 -12.082 1.00 15.52 C ANISOU 30 CG1 VAL A 2 1966 1956 1975 64 228 202 C ATOM 31 CG2 VAL A 2 15.147 -3.279 -12.819 1.00 13.08 C ANISOU 31 CG2 VAL A 2 1511 1698 1760 -385 148 94 C ATOM 32 H VAL A 2 13.963 -2.610 -10.185 1.00 12.73 H ATOM 33 HA VAL A 2 13.463 -4.973 -11.442 1.00 13.68 H ATOM 34 HB VAL A 2 16.028 -3.800 -11.000 1.00 15.00 H ATOM 35 HG11 VAL A 2 15.344 -6.225 -11.823 1.00 18.60 H ATOM 36 HG12 VAL A 2 16.017 -5.488 -13.038 1.00 18.60 H ATOM 37 HG13 VAL A 2 16.801 -5.650 -11.685 1.00 18.60 H ATOM 38 HG21 VAL A 2 14.218 -3.040 -12.854 1.00 15.67 H ATOM 39 HG22 VAL A 2 15.685 -2.491 -12.712 1.00 15.67 H ATOM 40 HG23 VAL A 2 15.397 -3.741 -13.623 1.00 15.67 H ATOM 41 N PHE A 3 13.675 -6.360 -9.456 1.00 11.90 N ANISOU 41 N PHE A 3 1715 1336 1470 -179 -289 37 N ATOM 42 CA PHE A 3 13.843 -7.152 -8.280 1.00 11.28 C ANISOU 42 CA PHE A 3 1615 1362 1310 -232 -145 -9 C ATOM 43 C PHE A 3 15.175 -7.852 -8.354 1.00 11.60 C ANISOU 43 C PHE A 3 1398 1507 1504 -458 -300 -145 C ATOM 44 O PHE A 3 15.635 -8.281 -9.442 1.00 12.78 O ANISOU 44 O PHE A 3 1356 1971 1528 -111 -172 -154 O ATOM 45 CB PHE A 3 12.797 -8.255 -8.177 1.00 10.12 C ANISOU 45 CB PHE A 3 1137 1368 1340 -300 -108 156 C ATOM 46 CG PHE A 3 11.430 -7.815 -7.655 1.00 10.30 C ANISOU 46 CG PHE A 3 1379 1206 1327 -266 -227 -129 C ATOM 47 CD1 PHE A 3 10.522 -7.126 -8.462 1.00 11.04 C ANISOU 47 CD1 PHE A 3 1380 1432 1382 -292 -283 -36 C ATOM 48 CD2 PHE A 3 11.087 -8.104 -6.339 1.00 11.63 C ANISOU 48 CD2 PHE A 3 1758 1330 1332 -222 -209 -92 C ATOM 49 CE1 PHE A 3 9.290 -6.752 -7.980 1.00 12.01 C ANISOU 49 CE1 PHE A 3 1608 1411 1545 -188 -220 112 C ATOM 50 CE2 PHE A 3 9.867 -7.750 -5.873 1.00 12.15 C ANISOU 50 CE2 PHE A 3 1788 1415 1414 -457 -282 17 C ATOM 51 CZ PHE A 3 8.977 -7.055 -6.615 1.00 11.96 C ANISOU 51 CZ PHE A 3 1457 1561 1525 -108 -205 -99 C ATOM 52 H PHE A 3 13.107 -6.674 -10.020 1.00 14.25 H ATOM 53 HA PHE A 3 13.810 -6.591 -7.477 1.00 13.51 H ATOM 54 HB2 PHE A 3 12.664 -8.635 -9.059 1.00 12.12 H ATOM 55 HB3 PHE A 3 13.132 -8.940 -7.577 1.00 12.12 H ATOM 56 HD1 PHE A 3 10.749 -6.928 -9.342 1.00 13.22 H ATOM 57 HD2 PHE A 3 11.678 -8.570 -5.793 1.00 13.93 H ATOM 58 HE1 PHE A 3 8.688 -6.287 -8.516 1.00 14.39 H ATOM 59 HE2 PHE A 3 9.656 -7.941 -4.987 1.00 14.55 H ATOM 60 HZ PHE A 3 8.150 -6.822 -6.260 1.00 14.32 H ATOM 61 N GLU A 4 15.741 -8.091 -7.198 1.00 13.00 N ANISOU 61 N GLU A 4 1833 1442 1666 -156 -429 -167 N ATOM 62 CA GLU A 4 16.779 -9.106 -7.070 1.00 13.89 C ANISOU 62 CA GLU A 4 1591 1798 1891 -49 -163 -15 C ATOM 63 C GLU A 4 16.131 -10.485 -7.059 1.00 11.61 C ANISOU 63 C GLU A 4 1113 1709 1590 -10 -267 304 C ATOM 64 O GLU A 4 15.006 -10.612 -6.662 1.00 12.70 O ANISOU 64 O GLU A 4 1506 1570 1751 -79 -325 246 O ATOM 65 CB GLU A 4 17.538 -8.862 -5.751 1.00 17.54 C ANISOU 65 CB GLU A 4 2149 1961 2552 -86 -170 60 C ATOM 66 CG GLU A 4 18.432 -7.645 -5.834 1.00 23.80 C ANISOU 66 CG GLU A 4 3174 2655 3212 -115 -154 96 C ATOM 67 CD GLU A 4 19.297 -7.508 -4.578 1.00 30.59 C ANISOU 67 CD GLU A 4 4341 3435 3846 -369 -165 103 C ATOM 68 OE1 GLU A 4 19.281 -8.424 -3.687 1.00 33.42 O ANISOU 68 OE1 GLU A 4 4946 3775 3978 -464 -372 107 O ATOM 69 OE2 GLU A 4 19.974 -6.466 -4.466 1.00 34.21 O ANISOU 69 OE2 GLU A 4 4826 3921 4252 -438 27 -7 O ATOM 70 H GLU A 4 15.549 -7.683 -6.466 1.00 15.58 H ATOM 71 HA GLU A 4 17.407 -9.048 -7.821 1.00 16.65 H ATOM 72 HB2 GLU A 4 16.898 -8.720 -5.036 1.00 21.02 H ATOM 73 HB3 GLU A 4 18.093 -9.633 -5.554 1.00 21.02 H ATOM 74 HG2 GLU A 4 19.019 -7.729 -6.601 1.00 28.53 H ATOM 75 HG3 GLU A 4 17.884 -6.849 -5.915 1.00 28.53 H ATOM 76 N ARG A 5 16.841 -11.497 -7.483 1.00 12.44 N ANISOU 76 N ARG A 5 1219 1800 1709 -161 -216 137 N ATOM 77 CA ARG A 5 16.265 -12.824 -7.674 1.00 13.04 C ANISOU 77 CA ARG A 5 1456 1774 1726 -83 -91 124 C ATOM 78 C ARG A 5 15.561 -13.386 -6.430 1.00 12.06 C ANISOU 78 C ARG A 5 1651 1587 1346 117 -236 16 C ATOM 79 O ARG A 5 14.368 -13.683 -6.425 1.00 11.19 O ANISOU 79 O ARG A 5 1480 1553 1220 -64 -271 0 O ATOM 80 CB ARG A 5 17.388 -13.758 -8.115 1.00 14.15 C ANISOU 80 CB ARG A 5 1683 1787 1908 -336 -120 -44 C ATOM 81 CG ARG A 5 16.948 -15.211 -8.318 1.00 14.35 C ANISOU 81 CG ARG A 5 1472 1881 2098 -334 -322 27 C ATOM 82 CD ARG A 5 18.134 -16.034 -8.806 1.00 15.35 C ANISOU 82 CD ARG A 5 1743 1882 2207 -104 -260 -135 C ATOM 83 NE ARG A 5 19.236 -16.158 -7.882 1.00 15.66 N ANISOU 83 NE ARG A 5 1765 1768 2418 148 -280 -229 N ATOM 84 CZ ARG A 5 19.330 -17.103 -6.945 1.00 17.73 C ANISOU 84 CZ ARG A 5 2243 1961 2533 -141 -298 -177 C ATOM 85 NH1 ARG A 5 18.350 -17.985 -6.732 1.00 18.38 N ANISOU 85 NH1 ARG A 5 2351 1948 2684 -379 -773 132 N ATOM 86 NH2 ARG A 5 20.393 -17.124 -6.147 1.00 17.13 N ANISOU 86 NH2 ARG A 5 2187 2085 2235 9 -202 -321 N ATOM 87 H ARG A 5 17.678 -11.451 -7.676 1.00 14.91 H ATOM 88 HA ARG A 5 15.606 -12.782 -8.398 1.00 15.63 H ATOM 89 HB2 ARG A 5 17.747 -13.437 -8.957 1.00 16.96 H ATOM 90 HB3 ARG A 5 18.083 -13.751 -7.438 1.00 16.96 H ATOM 91 HG2 ARG A 5 16.639 -15.580 -7.476 1.00 17.19 H ATOM 92 HG3 ARG A 5 16.247 -15.250 -8.988 1.00 17.19 H ATOM 93 HD2 ARG A 5 17.822 -16.930 -9.006 1.00 18.39 H ATOM 94 HD3 ARG A 5 18.478 -15.624 -9.614 1.00 18.39 H ATOM 95 HE ARG A 5 19.874 -15.585 -7.939 1.00 18.77 H ATOM 96 HH11 ARG A 5 17.653 -17.982 -7.235 1.00 22.03 H ATOM 97 HH12 ARG A 5 18.431 -18.575 -6.112 1.00 22.03 H ATOM 98 HH21 ARG A 5 21.027 -16.555 -6.261 1.00 20.53 H ATOM 99 HH22 ARG A 5 20.454 -17.719 -5.529 1.00 20.53 H ATOM 100 N CYS A 6 16.293 -13.462 -5.313 1.00 12.50 N ANISOU 100 N CYS A 6 1849 1564 1339 -200 -670 65 N ATOM 101 CA CYS A 6 15.689 -14.051 -4.123 1.00 13.18 C ANISOU 101 CA CYS A 6 2104 1550 1356 98 -713 47 C ATOM 102 C CYS A 6 14.637 -13.177 -3.487 1.00 13.08 C ANISOU 102 C CYS A 6 2178 1375 1417 -47 -876 -140 C ATOM 103 O CYS A 6 13.649 -13.656 -2.927 1.00 13.57 O ANISOU 103 O CYS A 6 2064 1402 1689 24 -726 -118 O ATOM 104 CB CYS A 6 16.759 -14.460 -3.112 1.00 14.72 C ANISOU 104 CB CYS A 6 2432 1711 1449 -89 -511 -55 C ATOM 105 SG CYS A 6 17.684 -15.897 -3.635 1.00 17.43 S ANISOU 105 SG CYS A 6 2934 1857 1832 357 -867 -156 S ATOM 106 H CYS A 6 17.104 -13.192 -5.222 1.00 14.98 H ATOM 107 HA CYS A 6 15.236 -14.875 -4.400 1.00 15.80 H ATOM 108 HB2 CYS A 6 17.383 -13.727 -2.997 1.00 17.64 H ATOM 109 HB3 CYS A 6 16.332 -14.669 -2.266 1.00 17.64 H ATOM 110 N GLU A 7 14.779 -11.860 -3.659 1.00 13.84 N ANISOU 110 N GLU A 7 2296 1418 1546 86 -616 -142 N ATOM 111 CA GLU A 7 13.762 -10.911 -3.252 1.00 12.98 C ANISOU 111 CA GLU A 7 2071 1280 1583 -223 -632 -232 C ATOM 112 C GLU A 7 12.406 -11.251 -3.931 1.00 11.78 C ANISOU 112 C GLU A 7 1810 1305 1360 -193 -338 -13 C ATOM 113 O GLU A 7 11.351 -11.296 -3.342 1.00 12.04 O ANISOU 113 O GLU A 7 2004 1474 1098 -76 -465 -209 O ATOM 114 CB GLU A 7 14.203 -9.506 -3.580 1.00 13.34 C ANISOU 114 CB GLU A 7 2118 1353 1597 7 -837 -163 C ATOM 115 CG GLU A 7 13.237 -8.448 -3.243 1.00 17.14 C ANISOU 115 CG GLU A 7 3164 1535 1814 109 -786 -171 C ATOM 116 CD GLU A 7 13.583 -7.073 -3.850 1.00 17.67 C ANISOU 116 CD GLU A 7 3225 1538 1950 59 -582 -217 C ATOM 117 OE1 GLU A 7 14.368 -6.972 -4.804 1.00 17.46 O ANISOU 117 OE1 GLU A 7 2955 1655 2025 209 -311 -41 O ATOM 118 OE2 GLU A 7 13.085 -6.064 -3.313 1.00 19.85 O ANISOU 118 OE2 GLU A 7 3629 1876 2039 248 -125 -244 O ATOM 119 H GLU A 7 15.470 -11.494 -4.017 1.00 16.59 H ATOM 120 HA GLU A 7 13.639 -10.971 -2.282 1.00 15.56 H ATOM 121 HB2 GLU A 7 15.021 -9.319 -3.094 1.00 15.98 H ATOM 122 HB3 GLU A 7 14.374 -9.452 -4.533 1.00 15.98 H ATOM 123 HG2 GLU A 7 12.362 -8.706 -3.574 1.00 20.54 H ATOM 124 HG3 GLU A 7 13.207 -8.347 -2.279 1.00 20.54 H ATOM 125 N LEU A 8 12.470 -11.436 -5.262 1.00 10.60 N ANISOU 125 N LEU A 8 1701 1082 1244 27 -355 51 N ATOM 126 CA LEU A 8 11.274 -11.774 -6.020 1.00 9.39 C ANISOU 126 CA LEU A 8 1360 1173 1034 -31 -312 205 C ATOM 127 C LEU A 8 10.725 -13.144 -5.569 1.00 8.50 C ANISOU 127 C LEU A 8 1120 1278 829 129 -142 -83 C ATOM 128 O LEU A 8 9.533 -13.287 -5.417 1.00 9.12 O ANISOU 128 O LEU A 8 1229 1199 1039 80 -85 -29 O ATOM 129 CB LEU A 8 11.561 -11.799 -7.513 1.00 9.30 C ANISOU 129 CB LEU A 8 1291 1133 1108 132 -405 123 C ATOM 130 CG LEU A 8 10.361 -12.103 -8.363 1.00 9.76 C ANISOU 130 CG LEU A 8 1400 1216 1091 171 -358 -13 C ATOM 131 CD1 LEU A 8 9.150 -11.153 -8.173 1.00 10.13 C ANISOU 131 CD1 LEU A 8 1589 1260 1001 -69 -214 -3 C ATOM 132 CD2 LEU A 8 10.777 -12.135 -9.825 1.00 10.87 C ANISOU 132 CD2 LEU A 8 1408 1578 1145 12 -400 -16 C ATOM 133 H LEU A 8 13.186 -11.372 -5.734 1.00 12.69 H ATOM 134 HA LEU A 8 10.585 -11.097 -5.852 1.00 11.24 H ATOM 135 HB2 LEU A 8 11.900 -10.931 -7.780 1.00 11.13 H ATOM 136 HB3 LEU A 8 12.229 -12.480 -7.690 1.00 11.13 H ATOM 137 HG LEU A 8 10.055 -12.995 -8.138 1.00 11.68 H ATOM 138 HD11 LEU A 8 8.441 -11.431 -8.758 1.00 12.13 H ATOM 139 HD12 LEU A 8 8.859 -11.198 -7.260 1.00 12.13 H ATOM 140 HD13 LEU A 8 9.420 -10.257 -8.388 1.00 12.13 H ATOM 141 HD21 LEU A 8 10.007 -12.329 -10.365 1.00 13.02 H ATOM 142 HD22 LEU A 8 11.138 -11.278 -10.065 1.00 13.02 H ATOM 143 HD23 LEU A 8 11.442 -12.816 -9.945 1.00 13.02 H ATOM 144 N ALA A 9 11.635 -14.099 -5.366 1.00 9.59 N ANISOU 144 N ALA A 9 1257 1294 1094 25 -338 145 N ATOM 145 CA ALA A 9 11.154 -15.443 -5.035 1.00 10.36 C ANISOU 145 CA ALA A 9 1669 1224 1042 119 -470 89 C ATOM 146 C ALA A 9 10.354 -15.393 -3.718 1.00 10.91 C ANISOU 146 C ALA A 9 1951 1230 963 -41 -411 78 C ATOM 147 O ALA A 9 9.271 -15.968 -3.581 1.00 11.65 O ANISOU 147 O ALA A 9 2018 1425 985 -114 -119 39 O ATOM 148 CB ALA A 9 12.322 -16.424 -4.942 1.00 12.54 C ANISOU 148 CB ALA A 9 1941 1377 1444 -267 -649 398 C ATOM 149 H ALA A 9 12.489 -14.006 -5.410 1.00 11.49 H ATOM 150 HA ALA A 9 10.553 -15.752 -5.745 1.00 12.40 H ATOM 151 HB1 ALA A 9 11.981 -17.295 -4.725 1.00 15.02 H ATOM 152 HB2 ALA A 9 12.775 -16.451 -5.788 1.00 15.02 H ATOM 153 HB3 ALA A 9 12.925 -16.128 -4.257 1.00 15.02 H ATOM 154 N ARG A 10 10.859 -14.653 -2.735 1.00 12.34 N ANISOU 154 N ARG A 10 2426 1367 895 -115 -508 65 N ATOM 155 CA AARG A 10 10.176 -14.530 -1.466 0.41 14.02 C ANISOU 155 CA AARG A 10 2678 1596 1055 -81 -570 -29 C ATOM 156 CA BARG A 10 10.188 -14.496 -1.450 0.59 14.37 C ANISOU 156 CA BARG A 10 2831 1711 917 -34 -508 76 C ATOM 157 C ARG A 10 8.876 -13.756 -1.593 1.00 13.55 C ANISOU 157 C ARG A 10 2577 1549 1021 -50 -269 -62 C ATOM 158 O ARG A 10 7.888 -14.081 -0.938 1.00 14.43 O ANISOU 158 O ARG A 10 2691 1814 977 -276 -215 -20 O ATOM 159 CB AARG A 10 11.100 -13.959 -0.422 0.41 15.46 C ANISOU 159 CB AARG A 10 2612 1841 1422 -150 -848 52 C ATOM 160 CB BARG A 10 11.030 -13.667 -0.454 0.59 16.48 C ANISOU 160 CB BARG A 10 3014 2132 1118 46 -618 392 C ATOM 161 CG AARG A 10 11.952 -15.032 0.140 0.41 16.13 C ANISOU 161 CG AARG A 10 2297 2022 1809 -279 -843 294 C ATOM 162 CG BARG A 10 12.208 -14.340 0.201 0.59 18.65 C ANISOU 162 CG BARG A 10 3123 2421 1543 -5 -527 601 C ATOM 163 CD AARG A 10 12.686 -14.504 1.374 0.41 16.86 C ANISOU 163 CD AARG A 10 2176 2204 2025 -146 -1066 202 C ATOM 164 CD BARG A 10 12.742 -13.498 1.392 0.59 17.31 C ANISOU 164 CD BARG A 10 2611 2466 1501 -53 -515 428 C ATOM 165 NE AARG A 10 13.341 -13.243 1.044 0.41 16.79 N ANISOU 165 NE AARG A 10 2144 2184 2051 -207 -986 140 N ATOM 166 NE BARG A 10 12.951 -12.068 1.094 0.59 17.60 N ANISOU 166 NE BARG A 10 2603 2687 1398 154 -469 15 N ATOM 167 CZ AARG A 10 14.555 -13.159 0.522 0.41 16.51 C ANISOU 167 CZ AARG A 10 2056 2165 2053 -239 -743 134 C ATOM 168 CZ BARG A 10 14.035 -11.583 0.521 0.59 18.92 C ANISOU 168 CZ BARG A 10 2676 3030 1484 2 -1065 -173 C ATOM 169 NH1AARG A 10 15.232 -14.275 0.328 0.41 15.94 N ANISOU 169 NH1AARG A 10 2142 2071 1842 -336 -577 180 N ATOM 170 NH1BARG A 10 15.011 -12.403 0.122 0.59 20.83 N ANISOU 170 NH1BARG A 10 2804 3392 1719 -91 -1198 -276 N ATOM 171 NH2AARG A 10 15.097 -11.975 0.210 0.41 18.89 N ANISOU 171 NH2AARG A 10 2394 2404 2379 -224 -531 69 N ATOM 172 NH2BARG A 10 14.137 -10.290 0.304 0.59 20.05 N ANISOU 172 NH2BARG A 10 3248 3068 1302 75 -939 -20 N ATOM 173 H ARG A 10 11.599 -14.219 -2.787 1.00 14.78 H ATOM 174 HA ARG A 10 9.973 -15.406 -1.111 0.59 17.22 H ATOM 175 HB2AARG A 10 11.674 -13.290 -0.827 0.41 18.53 H ATOM 176 HB2BARG A 10 11.374 -12.892 -0.926 0.59 19.76 H ATOM 177 HB3AARG A 10 10.578 -13.570 0.297 0.41 18.53 H ATOM 178 HB3BARG A 10 10.443 -13.369 0.258 0.59 19.76 H ATOM 179 HG2AARG A 10 11.398 -15.783 0.406 0.41 19.33 H ATOM 180 HG2BARG A 10 11.935 -15.208 0.538 0.59 22.36 H ATOM 181 HG3AARG A 10 12.609 -15.307 -0.518 0.41 19.33 H ATOM 182 HG3BARG A 10 12.922 -14.439 -0.448 0.59 22.36 H ATOM 183 HD2AARG A 10 12.051 -14.346 2.090 0.41 20.20 H ATOM 184 HD2BARG A 10 12.105 -13.556 2.121 0.59 20.75 H ATOM 185 HD3AARG A 10 13.362 -15.142 1.650 0.41 20.20 H ATOM 186 HD3BARG A 10 13.594 -13.867 1.673 0.59 20.75 H ATOM 187 HE AARG A 10 12.957 -12.514 1.290 0.41 20.12 H ATOM 188 HE BARG A 10 12.309 -11.523 1.268 0.59 21.10 H ATOM 189 HH11AARG A 10 14.876 -15.033 0.524 0.41 19.10 H ATOM 190 HH11BARG A 10 14.946 -13.249 0.262 0.59 24.97 H ATOM 191 HH12AARG A 10 16.025 -14.246 -0.004 0.41 19.10 H ATOM 192 HH12BARG A 10 15.712 -12.083 -0.259 0.59 24.97 H ATOM 193 HH21AARG A 10 14.656 -11.250 0.348 0.41 22.64 H ATOM 194 HH21BARG A 10 13.506 -9.761 0.551 0.59 24.03 H ATOM 195 HH22AARG A 10 15.894 -11.939 -0.112 0.41 22.64 H ATOM 196 HH22BARG A 10 14.837 -9.974 -0.083 0.59 24.03 H ATOM 197 N THR A 11 8.864 -12.731 -2.455 1.00 12.17 N ANISOU 197 N THR A 11 2141 1464 1019 -178 -75 -246 N ATOM 198 CA THR A 11 7.669 -11.956 -2.698 1.00 11.41 C ANISOU 198 CA THR A 11 1971 1402 964 -72 -51 -171 C ATOM 199 C THR A 11 6.578 -12.832 -3.300 1.00 11.32 C ANISOU 199 C THR A 11 1720 1516 1063 20 -18 -206 C ATOM 200 O THR A 11 5.436 -12.815 -2.937 1.00 12.61 O ANISOU 200 O THR A 11 2082 1647 1062 218 40 -196 O ATOM 201 CB THR A 11 8.017 -10.763 -3.606 1.00 13.36 C ANISOU 201 CB THR A 11 2362 1397 1318 -97 -103 -326 C ATOM 202 OG1 THR A 11 8.978 -9.924 -2.968 1.00 14.71 O ANISOU 202 OG1 THR A 11 2582 1450 1556 50 -287 -241 O ATOM 203 CG2 THR A 11 6.779 -9.930 -3.894 1.00 14.86 C ANISOU 203 CG2 THR A 11 2747 1532 1368 104 106 -382 C ATOM 204 H THR A 11 9.547 -12.472 -2.910 1.00 14.58 H ATOM 205 HA THR A 11 7.339 -11.603 -1.846 1.00 13.67 H ATOM 206 HB THR A 11 8.374 -11.087 -4.447 1.00 16.01 H ATOM 207 HG1 THR A 11 9.663 -10.348 -2.814 1.00 17.63 H ATOM 208 HG21 THR A 11 7.007 -9.189 -4.460 1.00 17.81 H ATOM 209 HG22 THR A 11 6.117 -10.468 -4.334 1.00 17.81 H ATOM 210 HG23 THR A 11 6.412 -9.594 -3.073 1.00 17.81 H ATOM 211 N LEU A 12 6.919 -13.598 -4.343 1.00 11.09 N ANISOU 211 N LEU A 12 1705 1531 977 -1 -31 -199 N ATOM 212 CA LEU A 12 5.975 -14.518 -4.992 1.00 11.17 C ANISOU 212 CA LEU A 12 1645 1497 1100 -28 -150 -138 C ATOM 213 C LEU A 12 5.483 -15.598 -4.034 1.00 10.88 C ANISOU 213 C LEU A 12 1628 1451 1055 67 -5 -117 C ATOM 214 O LEU A 12 4.309 -15.942 -4.042 1.00 12.49 O ANISOU 214 O LEU A 12 2114 1701 930 -127 133 -28 O ATOM 215 CB LEU A 12 6.627 -15.187 -6.233 1.00 10.16 C ANISOU 215 CB LEU A 12 1336 1428 1096 -52 -142 -18 C ATOM 216 CG LEU A 12 7.008 -14.248 -7.363 1.00 10.63 C ANISOU 216 CG LEU A 12 1504 1515 1020 -149 -305 -92 C ATOM 217 CD1 LEU A 12 7.719 -15.073 -8.423 1.00 11.70 C ANISOU 217 CD1 LEU A 12 1920 1572 955 -210 -122 -185 C ATOM 218 CD2 LEU A 12 5.756 -13.569 -7.900 1.00 12.30 C ANISOU 218 CD2 LEU A 12 1819 1533 1322 -46 -130 -115 C ATOM 219 H LEU A 12 7.702 -13.603 -4.698 1.00 13.28 H ATOM 220 HA LEU A 12 5.196 -14.009 -5.298 1.00 13.37 H ATOM 221 HB2 LEU A 12 7.435 -15.640 -5.947 1.00 12.16 H ATOM 222 HB3 LEU A 12 6.003 -15.837 -6.593 1.00 12.16 H ATOM 223 HG LEU A 12 7.616 -13.569 -7.035 1.00 12.73 H ATOM 224 HD11 LEU A 12 8.501 -15.471 -8.035 1.00 14.02 H ATOM 225 HD12 LEU A 12 7.124 -15.757 -8.737 1.00 14.02 H ATOM 226 HD13 LEU A 12 7.970 -14.497 -9.149 1.00 14.02 H ATOM 227 HD21 LEU A 12 5.152 -14.241 -8.225 1.00 14.74 H ATOM 228 HD22 LEU A 12 5.342 -13.072 -7.191 1.00 14.74 H ATOM 229 HD23 LEU A 12 6.004 -12.977 -8.614 1.00 14.74 H ATOM 230 N LYS A 13 6.377 -16.063 -3.154 1.00 12.25 N ANISOU 230 N LYS A 13 1980 1682 995 -122 -111 -34 N ATOM 231 CA LYS A 13 5.974 -17.048 -2.144 1.00 14.42 C ANISOU 231 CA LYS A 13 2569 1617 1295 -42 -101 177 C ATOM 232 C LYS A 13 4.897 -16.445 -1.222 1.00 14.82 C ANISOU 232 C LYS A 13 2881 1685 1065 -81 -69 33 C ATOM 233 O LYS A 13 3.836 -17.047 -0.968 1.00 16.04 O ANISOU 233 O LYS A 13 3227 1864 1005 -294 225 58 O ATOM 234 CB LYS A 13 7.143 -17.516 -1.313 1.00 17.50 C ANISOU 234 CB LYS A 13 2873 2181 1598 232 -262 177 C ATOM 235 CG LYS A 13 6.754 -18.675 -0.357 1.00 20.30 C ANISOU 235 CG LYS A 13 3299 2527 1888 396 -137 424 C ATOM 236 CD LYS A 13 7.956 -19.181 0.436 1.00 25.00 C ANISOU 236 CD LYS A 13 4156 2909 2434 187 107 511 C ATOM 237 CE LYS A 13 7.539 -20.210 1.507 1.00 28.84 C ANISOU 237 CE LYS A 13 4724 3311 2923 106 186 454 C ATOM 238 NZ LYS A 13 6.900 -21.348 0.792 1.00 31.61 N ANISOU 238 NZ LYS A 13 5215 3524 3272 -36 327 526 N ATOM 239 H LYS A 13 7.205 -15.830 -3.120 1.00 14.68 H ATOM 240 HA LYS A 13 5.588 -17.829 -2.594 1.00 17.28 H ATOM 241 HB2 LYS A 13 7.845 -17.834 -1.902 1.00 20.98 H ATOM 242 HB3 LYS A 13 7.467 -16.777 -0.775 1.00 20.98 H ATOM 243 HG2 LYS A 13 6.086 -18.359 0.273 1.00 24.34 H ATOM 244 HG3 LYS A 13 6.401 -19.414 -0.877 1.00 24.34 H ATOM 245 HD2 LYS A 13 8.581 -19.609 -0.170 1.00 29.97 H ATOM 246 HD3 LYS A 13 8.382 -18.433 0.883 1.00 29.97 H ATOM 247 HE2 LYS A 13 8.320 -20.533 1.983 1.00 34.58 H ATOM 248 HE3 LYS A 13 6.895 -19.816 2.116 1.00 34.58 H ATOM 249 HZ1 LYS A 13 6.188 -21.063 0.341 1.00 37.91 H ATOM 250 HZ2 LYS A 13 7.478 -21.711 0.220 1.00 37.91 H ATOM 251 HZ3 LYS A 13 6.643 -21.969 1.376 1.00 37.91 H ATOM 252 N ARG A 14 5.155 -15.242 -0.737 1.00 14.30 N ANISOU 252 N ARG A 14 2686 1769 979 -338 108 -143 N ATOM 253 CA ARG A 14 4.188 -14.545 0.128 1.00 16.48 C ANISOU 253 CA ARG A 14 2873 2124 1265 -493 447 -242 C ATOM 254 C ARG A 14 2.855 -14.275 -0.528 1.00 16.05 C ANISOU 254 C ARG A 14 2618 2254 1227 -382 538 -412 C ATOM 255 O ARG A 14 1.833 -14.259 0.133 1.00 17.77 O ANISOU 255 O ARG A 14 2873 2753 1126 -493 515 -245 O ATOM 256 CB ARG A 14 4.717 -13.194 0.603 1.00 18.54 C ANISOU 256 CB ARG A 14 3390 2277 1378 -437 474 -409 C ATOM 257 CG ARG A 14 5.401 -13.273 1.855 1.00 21.32 C ANISOU 257 CG ARG A 14 3777 2499 1824 -319 176 -495 C ATOM 258 CD ARG A 14 5.632 -11.954 2.505 1.00 22.27 C ANISOU 258 CD ARG A 14 3583 2657 2221 -130 102 -606 C ATOM 259 NE ARG A 14 6.042 -10.956 1.517 1.00 24.77 N ANISOU 259 NE ARG A 14 3531 3098 2783 -96 -53 -603 N ATOM 260 CZ ARG A 14 7.288 -10.681 1.195 1.00 25.15 C ANISOU 260 CZ ARG A 14 3402 3387 2769 -198 85 -613 C ATOM 261 NH1 ARG A 14 8.288 -11.370 1.734 1.00 24.73 N ANISOU 261 NH1 ARG A 14 2810 3850 2737 -426 -106 -504 N ATOM 262 NH2 ARG A 14 7.507 -9.732 0.322 1.00 25.57 N ANISOU 262 NH2 ARG A 14 3740 3189 2787 -327 113 -648 N ATOM 263 H ARG A 14 5.877 -14.800 -0.888 1.00 17.14 H ATOM 264 HA ARG A 14 4.024 -15.096 0.921 1.00 19.75 H ATOM 265 HB2 ARG A 14 5.338 -12.849 -0.057 1.00 22.23 H ATOM 266 HB3 ARG A 14 3.971 -12.583 0.707 1.00 22.23 H ATOM 267 HG2 ARG A 14 4.875 -13.814 2.464 1.00 25.56 H ATOM 268 HG3 ARG A 14 6.267 -13.687 1.712 1.00 25.56 H ATOM 269 HD2 ARG A 14 4.811 -11.652 2.923 1.00 26.70 H ATOM 270 HD3 ARG A 14 6.337 -12.039 3.165 1.00 26.70 H ATOM 271 HE ARG A 14 5.421 -10.515 1.117 1.00 29.70 H ATOM 272 HH11 ARG A 14 8.124 -11.984 2.314 1.00 29.65 H ATOM 273 HH12 ARG A 14 9.101 -11.194 1.514 1.00 29.65 H ATOM 274 HH21 ARG A 14 6.845 -9.307 -0.025 1.00 30.66 H ATOM 275 HH22 ARG A 14 8.311 -9.549 0.078 1.00 30.66 H ATOM 276 N LEU A 15 2.875 -14.099 -1.860 1.00 14.31 N ANISOU 276 N LEU A 15 2258 2024 1156 -211 452 -442 N ATOM 277 CA LEU A 15 1.692 -13.825 -2.612 1.00 13.58 C ANISOU 277 CA LEU A 15 2033 1773 1354 -74 478 -298 C ATOM 278 C LEU A 15 0.992 -15.091 -3.104 1.00 13.12 C ANISOU 278 C LEU A 15 1902 1736 1347 -147 489 -341 C ATOM 279 O LEU A 15 -0.005 -15.000 -3.835 1.00 14.55 O ANISOU 279 O LEU A 15 1796 1869 1865 -288 187 -175 O ATOM 280 CB LEU A 15 2.043 -12.903 -3.776 1.00 15.09 C ANISOU 280 CB LEU A 15 2325 1970 1440 87 32 -305 C ATOM 281 CG LEU A 15 2.356 -11.455 -3.373 1.00 16.61 C ANISOU 281 CG LEU A 15 2834 1924 1552 86 -94 -281 C ATOM 282 CD1 LEU A 15 2.851 -10.666 -4.578 1.00 16.20 C ANISOU 282 CD1 LEU A 15 2892 1670 1594 -100 -41 -153 C ATOM 283 CD2 LEU A 15 1.127 -10.919 -2.823 1.00 17.79 C ANISOU 283 CD2 LEU A 15 2741 2235 1782 94 -42 -103 C ATOM 284 H LEU A 15 3.588 -14.139 -2.339 1.00 17.15 H ATOM 285 HA LEU A 15 1.061 -13.346 -2.036 1.00 16.27 H ATOM 286 HB2 LEU A 15 2.825 -13.258 -4.228 1.00 18.09 H ATOM 287 HB3 LEU A 15 1.293 -12.881 -4.391 1.00 18.09 H ATOM 288 HG LEU A 15 3.040 -11.444 -2.686 1.00 19.90 H ATOM 289 HD11 LEU A 15 3.648 -11.081 -4.916 1.00 19.41 H ATOM 290 HD12 LEU A 15 2.169 -10.668 -5.254 1.00 19.41 H ATOM 291 HD13 LEU A 15 3.041 -9.766 -4.305 1.00 19.41 H ATOM 292 HD21 LEU A 15 0.442 -10.955 -3.495 1.00 21.32 H ATOM 293 HD22 LEU A 15 0.869 -11.446 -2.063 1.00 21.32 H ATOM 294 HD23 LEU A 15 1.276 -10.009 -2.555 1.00 21.32 H ATOM 295 N GLY A 16 1.443 -16.249 -2.685 1.00 13.64 N ANISOU 295 N GLY A 16 2257 1790 1136 -217 465 -271 N ATOM 296 CA GLY A 16 0.652 -17.443 -2.902 1.00 15.41 C ANISOU 296 CA GLY A 16 2787 1942 1125 -357 590 -347 C ATOM 297 C GLY A 16 0.918 -18.133 -4.237 1.00 14.31 C ANISOU 297 C GLY A 16 2296 1817 1324 -462 390 -32 C ATOM 298 O GLY A 16 0.097 -18.939 -4.677 1.00 15.36 O ANISOU 298 O GLY A 16 2347 2127 1362 -768 505 -122 O ATOM 299 H GLY A 16 2.191 -16.375 -2.279 1.00 16.34 H ATOM 300 HA2 GLY A 16 0.836 -18.078 -2.192 1.00 18.46 H ATOM 301 HA3 GLY A 16 -0.289 -17.211 -2.864 1.00 18.46 H ATOM 302 N MET A 17 2.078 -17.928 -4.822 1.00 11.78 N ANISOU 302 N MET A 17 1769 1461 1245 -349 49 -97 N ATOM 303 CA AMET A 17 2.356 -18.520 -6.119 0.88 10.22 C ANISOU 303 CA AMET A 17 1542 1351 989 -43 39 15 C ATOM 304 CA BMET A 17 2.357 -18.482 -6.134 0.12 10.91 C ANISOU 304 CA BMET A 17 1697 1319 1129 -147 120 4 C ATOM 305 C MET A 17 2.962 -19.882 -6.102 1.00 11.26 C ANISOU 305 C MET A 17 1981 1201 1095 -135 191 47 C ATOM 306 O MET A 17 2.882 -20.586 -7.094 1.00 11.88 O ANISOU 306 O MET A 17 2259 1126 1129 -95 51 6 O ATOM 307 CB AMET A 17 3.269 -17.587 -6.920 0.88 9.57 C ANISOU 307 CB AMET A 17 1477 1388 770 -144 34 -127 C ATOM 308 CB BMET A 17 3.255 -17.531 -6.943 0.12 9.66 C ANISOU 308 CB BMET A 17 1360 1304 1006 27 110 41 C ATOM 309 CG AMET A 17 2.580 -16.269 -7.246 0.88 11.11 C ANISOU 309 CG AMET A 17 1721 1410 1090 17 8 -123 C ATOM 310 CG BMET A 17 2.594 -16.209 -7.350 0.12 8.30 C ANISOU 310 CG BMET A 17 931 1286 936 240 40 109 C ATOM 311 SD AMET A 17 1.425 -16.513 -8.619 0.88 11.77 S ANISOU 311 SD AMET A 17 1770 1379 1323 39 -19 -173 S ATOM 312 SD BMET A 17 3.279 -15.518 -8.878 0.12 7.06 S ANISOU 312 SD BMET A 17 477 1248 957 294 24 157 S ATOM 313 CE AMET A 17 2.478 -15.903 -9.991 0.88 11.56 C ANISOU 313 CE AMET A 17 1930 1552 912 341 208 44 C ATOM 314 CE BMET A 17 2.014 -16.059 -10.050 0.12 6.28 C ANISOU 314 CE BMET A 17 609 970 807 414 32 136 C ATOM 315 H MET A 17 2.723 -17.464 -4.492 1.00 14.11 H ATOM 316 HA MET A 17 1.507 -18.559 -6.612 0.12 13.07 H ATOM 317 HB2AMET A 17 4.064 -17.394 -6.400 0.88 11.46 H ATOM 318 HB2BMET A 17 4.037 -17.316 -6.411 0.12 11.57 H ATOM 319 HB3AMET A 17 3.511 -18.017 -7.755 0.88 11.46 H ATOM 320 HB3BMET A 17 3.530 -17.983 -7.757 0.12 11.57 H ATOM 321 HG2AMET A 17 2.082 -15.961 -6.472 0.88 13.31 H ATOM 322 HG2BMET A 17 1.646 -16.360 -7.488 0.12 9.93 H ATOM 323 HG3AMET A 17 3.243 -15.611 -7.511 0.88 13.31 H ATOM 324 HG3BMET A 17 2.726 -15.560 -6.641 0.12 9.93 H ATOM 325 HE1AMET A 17 1.989 -15.970 -10.814 0.88 13.85 H ATOM 326 HE1BMET A 17 2.252 -15.755 -10.928 0.12 7.51 H ATOM 327 HE2AMET A 17 2.710 -14.987 -9.822 0.88 13.85 H ATOM 328 HE2BMET A 17 1.966 -17.018 -10.036 0.12 7.51 H ATOM 329 HE3AMET A 17 3.273 -16.439 -10.036 0.88 13.85 H ATOM 330 HE3BMET A 17 1.169 -15.685 -9.791 0.12 7.51 H ATOM 331 N ASP A 18 3.515 -20.328 -4.979 1.00 12.77 N ANISOU 331 N ASP A 18 2475 1153 1224 -194 -72 92 N ATOM 332 CA ASP A 18 4.191 -21.638 -4.989 1.00 15.29 C ANISOU 332 CA ASP A 18 3006 1339 1465 -224 -102 106 C ATOM 333 C ASP A 18 3.177 -22.771 -5.071 1.00 14.40 C ANISOU 333 C ASP A 18 2958 1239 1274 -183 -4 242 C ATOM 334 O ASP A 18 2.374 -22.965 -4.186 1.00 15.80 O ANISOU 334 O ASP A 18 3571 1301 1133 -321 369 28 O ATOM 335 CB ASP A 18 5.096 -21.792 -3.809 1.00 16.82 C ANISOU 335 CB ASP A 18 3496 1349 1546 -325 -463 212 C ATOM 336 CG ASP A 18 6.064 -23.041 -3.918 1.00 18.41 C ANISOU 336 CG ASP A 18 3732 1819 1443 -384 -510 277 C ATOM 337 OD1 ASP A 18 6.503 -23.493 -5.005 1.00 19.15 O ANISOU 337 OD1 ASP A 18 3881 2166 1227 -582 -453 409 O ATOM 338 OD2 ASP A 18 6.527 -23.498 -2.824 1.00 22.01 O ANISOU 338 OD2 ASP A 18 4408 2153 1802 -206 -197 234 O ATOM 339 H ASP A 18 3.518 -19.918 -4.223 1.00 15.30 H ATOM 340 HA ASP A 18 4.749 -21.690 -5.793 1.00 18.32 H ATOM 341 HB2 ASP A 18 5.644 -20.996 -3.729 1.00 20.16 H ATOM 342 HB3 ASP A 18 4.556 -21.902 -3.011 1.00 20.16 H ATOM 343 N GLY A 19 3.194 -23.465 -6.197 1.00 13.05 N ANISOU 343 N GLY A 19 2635 1266 1058 -6 44 160 N ATOM 344 CA GLY A 19 2.273 -24.547 -6.440 1.00 12.87 C ANISOU 344 CA GLY A 19 2413 1306 1171 -140 -96 306 C ATOM 345 C GLY A 19 0.921 -24.134 -6.950 1.00 12.87 C ANISOU 345 C GLY A 19 2273 1401 1216 -320 107 185 C ATOM 346 O GLY A 19 0.034 -24.957 -7.052 1.00 13.14 O ANISOU 346 O GLY A 19 2311 1209 1472 -206 265 364 O ATOM 347 H GLY A 19 3.742 -23.322 -6.844 1.00 15.64 H ATOM 348 HA2 GLY A 19 2.664 -25.152 -7.090 1.00 15.42 H ATOM 349 HA3 GLY A 19 2.142 -25.039 -5.615 1.00 15.42 H ATOM 350 N TYR A 20 0.761 -22.856 -7.327 1.00 11.30 N ANISOU 350 N TYR A 20 1756 1339 1199 -253 100 49 N ATOM 351 CA TYR A 20 -0.508 -22.416 -7.811 1.00 10.56 C ANISOU 351 CA TYR A 20 1457 1158 1399 -260 386 67 C ATOM 352 C TYR A 20 -0.772 -23.098 -9.141 1.00 10.57 C ANISOU 352 C TYR A 20 1339 1129 1547 -193 329 -8 C ATOM 353 O TYR A 20 0.031 -23.037 -10.017 1.00 10.33 O ANISOU 353 O TYR A 20 1258 1106 1562 -112 293 92 O ATOM 354 CB TYR A 20 -0.526 -20.895 -7.947 1.00 11.05 C ANISOU 354 CB TYR A 20 1664 1158 1376 -352 198 158 C ATOM 355 CG TYR A 20 -1.887 -20.358 -8.207 1.00 12.65 C ANISOU 355 CG TYR A 20 1837 1271 1696 -215 500 36 C ATOM 356 CD1 TYR A 20 -2.375 -20.214 -9.505 1.00 12.23 C ANISOU 356 CD1 TYR A 20 1763 1236 1649 -78 218 65 C ATOM 357 CD2 TYR A 20 -2.686 -19.947 -7.163 1.00 14.83 C ANISOU 357 CD2 TYR A 20 1879 1534 2220 -262 695 294 C ATOM 358 CE1 TYR A 20 -3.658 -19.741 -9.716 1.00 13.83 C ANISOU 358 CE1 TYR A 20 1749 1396 2109 -51 -62 -48 C ATOM 359 CE2 TYR A 20 -3.955 -19.495 -7.388 1.00 16.57 C ANISOU 359 CE2 TYR A 20 1807 1853 2638 -120 760 145 C ATOM 360 CZ TYR A 20 -4.457 -19.372 -8.678 1.00 16.76 C ANISOU 360 CZ TYR A 20 1628 1849 2890 -289 223 135 C ATOM 361 OH TYR A 20 -5.750 -18.849 -8.890 1.00 19.16 O ANISOU 361 OH TYR A 20 1739 2030 3510 -282 280 77 O ATOM 362 H TYR A 20 1.372 -22.251 -7.305 1.00 13.54 H ATOM 363 HA TYR A 20 -1.210 -22.681 -7.180 1.00 12.65 H ATOM 364 HB2 TYR A 20 -0.200 -20.500 -7.124 1.00 13.23 H ATOM 365 HB3 TYR A 20 0.045 -20.637 -8.688 1.00 13.23 H ATOM 366 HD1 TYR A 20 -1.856 -20.483 -10.227 1.00 14.65 H ATOM 367 HD2 TYR A 20 -2.382 -20.043 -6.290 1.00 17.77 H ATOM 368 HE1 TYR A 20 -3.975 -19.659 -10.587 1.00 16.57 H ATOM 369 HE2 TYR A 20 -4.479 -19.230 -6.667 1.00 19.86 H ATOM 370 HH TYR A 20 -5.801 -18.093 -8.575 1.00 22.97 H ATOM 371 N ARG A 21 -1.918 -23.763 -9.236 1.00 10.77 N ANISOU 371 N ARG A 21 1411 1294 1386 -107 414 30 N ATOM 372 CA AARG A 21 -2.248 -24.608 -10.361 0.50 11.16 C ANISOU 372 CA AARG A 21 1245 1427 1569 -169 106 -29 C ATOM 373 CA BARG A 21 -2.228 -24.602 -10.385 0.50 11.03 C ANISOU 373 CA BARG A 21 1260 1454 1476 -206 22 7 C ATOM 374 C ARG A 21 -1.096 -25.514 -10.766 1.00 10.02 C ANISOU 374 C ARG A 21 1243 1299 1265 -335 253 152 C ATOM 375 O ARG A 21 -0.901 -25.774 -11.931 1.00 10.31 O ANISOU 375 O ARG A 21 1356 1225 1336 -172 172 44 O ATOM 376 CB AARG A 21 -2.852 -23.775 -11.498 0.50 11.49 C ANISOU 376 CB AARG A 21 1002 1590 1775 -307 95 -263 C ATOM 377 CB BARG A 21 -2.620 -23.751 -11.611 0.50 11.29 C ANISOU 377 CB BARG A 21 1154 1615 1522 -303 -149 -140 C ATOM 378 CG AARG A 21 -4.183 -23.157 -11.074 0.50 11.56 C ANISOU 378 CG AARG A 21 866 1549 1976 -170 315 -410 C ATOM 379 CG BARG A 21 -4.021 -23.145 -11.519 0.50 12.36 C ANISOU 379 CG BARG A 21 1575 1519 1603 56 -20 -26 C ATOM 380 CD AARG A 21 -5.118 -24.167 -10.413 0.50 13.11 C ANISOU 380 CD AARG A 21 1179 1577 2225 568 177 -257 C ATOM 381 CD BARG A 21 -5.096 -23.998 -12.231 0.50 12.31 C ANISOU 381 CD BARG A 21 1474 1465 1738 257 -10 85 C ATOM 382 NE AARG A 21 -5.680 -25.106 -11.380 0.50 16.00 N ANISOU 382 NE AARG A 21 1908 1713 2459 527 -226 -42 N ATOM 383 NE BARG A 21 -5.030 -23.923 -13.716 0.50 11.02 N ANISOU 383 NE BARG A 21 1235 1300 1654 114 142 310 N ATOM 384 CZ AARG A 21 -6.570 -26.065 -11.082 0.50 16.85 C ANISOU 384 CZ AARG A 21 1928 1825 2648 119 10 -153 C ATOM 385 CZ BARG A 21 -5.621 -24.775 -14.547 0.50 12.02 C ANISOU 385 CZ BARG A 21 1473 1376 1719 208 -104 26 C ATOM 386 NH1AARG A 21 -7.048 -26.865 -12.031 0.50 15.05 N ANISOU 386 NH1AARG A 21 1466 1782 2472 115 132 -349 N ATOM 387 NH1BARG A 21 -6.339 -25.791 -14.132 0.50 13.12 N ANISOU 387 NH1BARG A 21 1496 1652 1838 314 -110 -4 N ATOM 388 NH2AARG A 21 -6.973 -26.236 -9.825 0.50 18.98 N ANISOU 388 NH2AARG A 21 2144 2128 2941 -272 314 -121 N ATOM 389 NH2BARG A 21 -5.459 -24.635 -15.839 0.50 14.11 N ANISOU 389 NH2BARG A 21 2158 1366 1838 -14 -104 31 N ATOM 390 H ARG A 21 -2.536 -23.739 -8.639 1.00 12.89 H ATOM 391 HA ARG A 21 -2.981 -25.188 -10.111 0.50 13.21 H ATOM 392 HB2AARG A 21 -2.242 -23.058 -11.731 0.50 13.77 H ATOM 393 HB2BARG A 21 -1.987 -23.021 -11.700 0.50 13.52 H ATOM 394 HB3AARG A 21 -3.010 -24.346 -12.267 0.50 13.77 H ATOM 395 HB3BARG A 21 -2.591 -24.311 -12.402 0.50 13.52 H ATOM 396 HG2AARG A 21 -4.013 -22.445 -10.437 0.50 13.84 H ATOM 397 HG2BARG A 21 -4.270 -23.068 -10.585 0.50 14.81 H ATOM 398 HG3AARG A 21 -4.631 -22.802 -11.857 0.50 13.84 H ATOM 399 HG3BARG A 21 -4.012 -22.268 -11.933 0.50 14.81 H ATOM 400 HD2AARG A 21 -4.622 -24.675 -9.751 0.50 15.71 H ATOM 401 HD2BARG A 21 -4.979 -24.926 -11.975 0.50 14.74 H ATOM 402 HD3AARG A 21 -5.851 -23.694 -9.990 0.50 15.71 H ATOM 403 HD3BARG A 21 -5.973 -23.689 -11.956 0.50 14.74 H ATOM 404 HE AARG A 21 -5.422 -25.040 -12.197 0.50 19.18 H ATOM 405 HE BARG A 21 -4.575 -23.280 -14.062 0.50 13.20 H ATOM 406 HH11AARG A 21 -7.608 -27.486 -11.829 0.50 18.04 H ATOM 407 HH11BARG A 21 -6.454 -25.921 -13.290 0.50 15.72 H ATOM 408 HH12AARG A 21 -6.788 -26.769 -12.846 0.50 18.04 H ATOM 409 HH12BARG A 21 -6.705 -26.321 -14.703 0.50 15.72 H ATOM 410 HH21AARG A 21 -6.674 -25.722 -9.204 0.50 22.76 H ATOM 411 HH21BARG A 21 -5.847 -25.178 -16.382 0.50 16.91 H ATOM 412 HH22AARG A 21 -7.539 -26.855 -9.635 0.50 22.76 H ATOM 413 HH22BARG A 21 -4.997 -23.978 -16.145 0.50 16.91 H ATOM 414 N GLY A 22 -0.402 -26.038 -9.775 1.00 9.61 N ANISOU 414 N GLY A 22 1204 1266 1180 -307 249 55 N ATOM 415 CA GLY A 22 0.666 -26.973 -10.050 1.00 9.60 C ANISOU 415 CA GLY A 22 1484 1171 992 -100 89 145 C ATOM 416 C GLY A 22 2.027 -26.438 -10.376 1.00 9.04 C ANISOU 416 C GLY A 22 1289 1123 1021 -171 186 26 C ATOM 417 O GLY A 22 2.981 -27.159 -10.665 1.00 9.73 O ANISOU 417 O GLY A 22 1270 1189 1237 -204 -85 175 O ATOM 418 H GLY A 22 -0.528 -25.871 -8.941 1.00 11.50 H ATOM 419 HA2 GLY A 22 0.765 -27.552 -9.279 1.00 11.49 H ATOM 420 HA3 GLY A 22 0.394 -27.530 -10.796 1.00 11.49 H ATOM 421 N ILE A 23 2.100 -25.088 -10.357 1.00 9.26 N ANISOU 421 N ILE A 23 1206 1229 1082 -121 187 -52 N ATOM 422 CA ILE A 23 3.300 -24.414 -10.881 1.00 8.80 C ANISOU 422 CA ILE A 23 1158 1111 1076 195 95 68 C ATOM 423 C ILE A 23 4.233 -24.031 -9.716 1.00 9.13 C ANISOU 423 C ILE A 23 1374 1122 972 -37 -96 143 C ATOM 424 O ILE A 23 3.900 -23.205 -8.873 1.00 10.20 O ANISOU 424 O ILE A 23 1490 1250 1135 -157 -209 81 O ATOM 425 CB ILE A 23 2.880 -23.144 -11.635 1.00 9.01 C ANISOU 425 CB ILE A 23 1143 990 1291 -38 145 -18 C ATOM 426 CG1 ILE A 23 1.935 -23.485 -12.774 1.00 8.59 C ANISOU 426 CG1 ILE A 23 1117 944 1201 -131 181 -70 C ATOM 427 CG2 ILE A 23 4.156 -22.410 -12.179 1.00 9.01 C ANISOU 427 CG2 ILE A 23 1211 996 1216 144 -16 118 C ATOM 428 CD1 ILE A 23 1.119 -22.232 -13.252 1.00 9.31 C ANISOU 428 CD1 ILE A 23 1395 1015 1128 -265 83 -147 C ATOM 429 H ILE A 23 1.490 -24.562 -10.057 1.00 11.08 H ATOM 430 HA ILE A 23 3.781 -25.008 -11.495 1.00 10.54 H ATOM 431 HB ILE A 23 2.421 -22.553 -11.017 1.00 10.79 H ATOM 432 HG12 ILE A 23 2.449 -23.816 -13.527 1.00 10.28 H ATOM 433 HG13 ILE A 23 1.306 -24.160 -12.476 1.00 10.28 H ATOM 434 HG21 ILE A 23 3.885 -21.618 -12.649 1.00 10.79 H ATOM 435 HG22 ILE A 23 4.721 -22.175 -11.439 1.00 10.79 H ATOM 436 HG23 ILE A 23 4.625 -22.999 -12.775 1.00 10.79 H ATOM 437 HD11 ILE A 23 0.537 -22.493 -13.970 1.00 11.15 H ATOM 438 HD12 ILE A 23 0.601 -21.898 -12.516 1.00 11.15 H ATOM 439 HD13 ILE A 23 1.731 -21.558 -13.555 1.00 11.15 H ATOM 440 N SER A 24 5.434 -24.577 -9.700 1.00 9.61 N ANISOU 440 N SER A 24 1408 1195 1048 27 -96 -26 N ATOM 441 CA SER A 24 6.375 -24.280 -8.645 1.00 9.85 C ANISOU 441 CA SER A 24 1361 1225 1156 -14 -151 131 C ATOM 442 C SER A 24 6.894 -22.849 -8.736 1.00 10.04 C ANISOU 442 C SER A 24 1517 1244 1054 47 -134 243 C ATOM 443 O SER A 24 6.909 -22.251 -9.810 1.00 9.09 O ANISOU 443 O SER A 24 1224 1268 962 14 -88 143 O ATOM 444 CB SER A 24 7.564 -25.226 -8.710 1.00 10.78 C ANISOU 444 CB SER A 24 1255 1315 1526 -80 -37 188 C ATOM 445 OG SER A 24 8.294 -24.941 -9.871 1.00 10.99 O ANISOU 445 OG SER A 24 1535 1290 1351 66 -10 -1 O ATOM 446 H SER A 24 5.729 -25.126 -10.293 1.00 11.51 H ATOM 447 HA SER A 24 5.936 -24.395 -7.776 1.00 11.79 H ATOM 448 HB2 SER A 24 8.128 -25.091 -7.932 1.00 12.91 H ATOM 449 HB3 SER A 24 7.248 -26.143 -8.744 1.00 12.91 H ATOM 450 HG SER A 24 8.941 -25.441 -9.925 1.00 13.17 H ATOM 451 N LEU A 25 7.390 -22.343 -7.590 1.00 9.51 N ANISOU 451 N LEU A 25 1614 1160 838 100 -136 143 N ATOM 452 CA LEU A 25 7.965 -21.046 -7.575 1.00 9.57 C ANISOU 452 CA LEU A 25 1731 1028 878 159 -70 141 C ATOM 453 C LEU A 25 9.112 -20.939 -8.580 1.00 8.86 C ANISOU 453 C LEU A 25 1630 912 824 46 -188 -6 C ATOM 454 O LEU A 25 9.247 -19.915 -9.249 1.00 9.59 O ANISOU 454 O LEU A 25 1730 928 987 21 -187 -21 O ATOM 455 CB ALEU A 25 8.521 -20.685 -6.192 0.51 10.33 C ANISOU 455 CB ALEU A 25 1777 1033 1115 5 -56 190 C ATOM 456 CB BLEU A 25 8.453 -20.809 -6.162 0.49 10.80 C ANISOU 456 CB BLEU A 25 1779 1202 1125 199 -102 315 C ATOM 457 CG ALEU A 25 7.530 -20.210 -5.142 0.51 11.94 C ANISOU 457 CG ALEU A 25 2178 1069 1291 -142 53 -210 C ATOM 458 CG BLEU A 25 9.116 -19.490 -5.918 0.49 12.70 C ANISOU 458 CG BLEU A 25 2189 1401 1235 253 33 226 C ATOM 459 CD1ALEU A 25 8.255 -20.054 -3.790 0.51 12.80 C ANISOU 459 CD1ALEU A 25 2381 1187 1298 -249 45 -335 C ATOM 460 CD1BLEU A 25 8.103 -18.419 -6.083 0.49 13.14 C ANISOU 460 CD1BLEU A 25 2253 1387 1352 99 152 176 C ATOM 461 CD2ALEU A 25 6.792 -18.949 -5.497 0.51 12.53 C ANISOU 461 CD2ALEU A 25 2380 1040 1341 -142 49 -354 C ATOM 462 CD2BLEU A 25 9.695 -19.502 -4.578 0.49 13.40 C ANISOU 462 CD2BLEU A 25 2289 1544 1258 83 -67 179 C ATOM 463 H LEU A 25 7.394 -22.747 -6.831 1.00 11.38 H ATOM 464 HA LEU A 25 7.282 -20.381 -7.806 1.00 11.46 H ATOM 465 HB2ALEU A 25 8.962 -21.471 -5.832 0.51 12.37 H ATOM 466 HB2BLEU A 25 7.693 -20.867 -5.562 0.49 12.94 H ATOM 467 HB3ALEU A 25 9.175 -19.978 -6.307 0.51 12.37 H ATOM 468 HB3BLEU A 25 9.094 -21.502 -5.940 0.49 12.94 H ATOM 469 HG ALEU A 25 6.862 -20.904 -5.026 0.51 14.31 H ATOM 470 HG BLEU A 25 9.826 -19.354 -6.565 0.49 15.21 H ATOM 471 HD11ALEU A 25 7.624 -19.754 -3.131 0.51 15.34 H ATOM 472 HD11BLEU A 25 8.520 -17.568 -5.928 0.49 15.74 H ATOM 473 HD12ALEU A 25 8.619 -20.904 -3.532 0.51 15.34 H ATOM 474 HD12BLEU A 25 7.754 -18.455 -6.977 0.49 15.74 H ATOM 475 HD13ALEU A 25 8.960 -19.410 -3.886 0.51 15.34 H ATOM 476 HD13BLEU A 25 7.396 -18.558 -5.449 0.49 15.74 H ATOM 477 HD21ALEU A 25 6.193 -18.725 -4.782 0.51 15.01 H ATOM 478 HD21BLEU A 25 10.123 -18.658 -4.416 0.49 16.05 H ATOM 479 HD22ALEU A 25 7.428 -18.241 -5.625 0.51 15.01 H ATOM 480 HD22BLEU A 25 8.995 -19.645 -3.937 0.49 16.05 H ATOM 481 HD23ALEU A 25 6.297 -19.094 -6.307 0.51 15.01 H ATOM 482 HD23BLEU A 25 10.340 -20.212 -4.523 0.49 16.05 H ATOM 483 N ALA A 26 9.898 -21.998 -8.723 1.00 8.88 N ANISOU 483 N ALA A 26 1387 987 1001 -55 -142 6 N ATOM 484 CA ALA A 26 11.014 -21.912 -9.689 1.00 9.18 C ANISOU 484 CA ALA A 26 1221 1331 938 -98 -241 3 C ATOM 485 C ALA A 26 10.555 -21.705 -11.139 1.00 8.84 C ANISOU 485 C ALA A 26 1047 1272 1041 -18 -37 55 C ATOM 486 O ALA A 26 11.208 -21.037 -11.909 1.00 8.68 O ANISOU 486 O ALA A 26 1112 1078 1107 -61 -142 28 O ATOM 487 CB ALA A 26 11.873 -23.170 -9.601 1.00 10.88 C ANISOU 487 CB ALA A 26 1157 1588 1390 253 -130 89 C ATOM 488 H ALA A 26 9.824 -22.745 -8.303 1.00 10.64 H ATOM 489 HA ALA A 26 11.578 -21.149 -9.445 1.00 11.00 H ATOM 490 HB1 ALA A 26 12.593 -23.101 -10.232 1.00 13.03 H ATOM 491 HB2 ALA A 26 12.224 -23.246 -8.710 1.00 13.03 H ATOM 492 HB3 ALA A 26 11.329 -23.934 -9.805 1.00 13.03 H ATOM 493 N ASN A 27 9.387 -22.280 -11.474 1.00 7.78 N ANISOU 493 N ASN A 27 874 1178 906 -164 17 9 N ATOM 494 CA ASN A 27 8.831 -22.076 -12.804 1.00 8.13 C ANISOU 494 CA ASN A 27 949 1168 972 -19 74 59 C ATOM 495 C ASN A 27 8.309 -20.646 -12.975 1.00 8.04 C ANISOU 495 C ASN A 27 855 1210 990 -111 -103 46 C ATOM 496 O ASN A 27 8.509 -20.078 -14.062 1.00 8.53 O ANISOU 496 O ASN A 27 1093 1112 1035 70 47 -52 O ATOM 497 CB ASN A 27 7.757 -23.065 -13.097 1.00 8.29 C ANISOU 497 CB ASN A 27 868 1121 1162 52 -154 -61 C ATOM 498 CG ASN A 27 8.342 -24.388 -13.549 1.00 8.57 C ANISOU 498 CG ASN A 27 1081 1092 1084 -144 -68 -253 C ATOM 499 OD1 ASN A 27 8.914 -24.432 -14.600 1.00 12.07 O ANISOU 499 OD1 ASN A 27 1851 1349 1386 -179 407 -241 O ATOM 500 ND2 ASN A 27 8.168 -25.451 -12.809 1.00 11.92 N ANISOU 500 ND2 ASN A 27 1843 1163 1523 252 38 -159 N ATOM 501 H ASN A 27 8.915 -22.779 -10.956 1.00 9.31 H ATOM 502 HA ASN A 27 9.543 -22.210 -13.462 1.00 9.73 H ATOM 503 HB2 ASN A 27 7.235 -23.221 -12.295 1.00 9.93 H ATOM 504 HB3 ASN A 27 7.191 -22.724 -13.807 1.00 9.93 H ATOM 505 HD21 ASN A 27 7.726 -25.396 -12.074 1.00 14.28 H ATOM 506 HD22 ASN A 27 8.497 -26.207 -13.057 1.00 14.28 H ATOM 507 N TRP A 28 7.699 -20.059 -11.941 1.00 7.27 N ANISOU 507 N TRP A 28 855 1129 780 15 7 21 N ATOM 508 CA TRP A 28 7.330 -18.671 -12.009 1.00 8.13 C ANISOU 508 CA TRP A 28 958 1221 911 16 19 -65 C ATOM 509 C TRP A 28 8.536 -17.775 -12.154 1.00 8.66 C ANISOU 509 C TRP A 28 1062 1135 1094 49 -152 -127 C ATOM 510 O TRP A 28 8.494 -16.750 -12.824 1.00 8.63 O ANISOU 510 O TRP A 28 1225 1032 1022 -49 -138 99 O ATOM 511 CB TRP A 28 6.538 -18.289 -10.788 1.00 8.07 C ANISOU 511 CB TRP A 28 976 1358 732 255 -176 -147 C ATOM 512 CG TRP A 28 5.156 -18.815 -10.685 1.00 7.97 C ANISOU 512 CG TRP A 28 999 1117 911 61 -22 -57 C ATOM 513 CD1 TRP A 28 4.694 -19.659 -9.737 1.00 8.97 C ANISOU 513 CD1 TRP A 28 1142 1307 958 198 21 9 C ATOM 514 CD2 TRP A 28 4.057 -18.529 -11.521 1.00 8.41 C ANISOU 514 CD2 TRP A 28 994 1077 1124 59 -70 -102 C ATOM 515 NE1 TRP A 28 3.350 -19.872 -9.888 1.00 9.24 N ANISOU 515 NE1 TRP A 28 1207 1197 1106 -159 245 -14 N ATOM 516 CE2 TRP A 28 2.937 -19.207 -11.023 1.00 8.59 C ANISOU 516 CE2 TRP A 28 885 1199 1180 -78 -36 -163 C ATOM 517 CE3 TRP A 28 3.895 -17.727 -12.673 1.00 8.47 C ANISOU 517 CE3 TRP A 28 1063 1035 1122 -134 155 -121 C ATOM 518 CZ2 TRP A 28 1.694 -19.059 -11.531 1.00 9.19 C ANISOU 518 CZ2 TRP A 28 920 1332 1241 -177 29 -15 C ATOM 519 CZ3 TRP A 28 2.657 -17.650 -13.195 1.00 9.32 C ANISOU 519 CZ3 TRP A 28 1110 1162 1269 64 86 66 C ATOM 520 CH2 TRP A 28 1.570 -18.283 -12.632 1.00 9.41 C ANISOU 520 CH2 TRP A 28 801 1544 1230 -27 -40 -186 C ATOM 521 H TRP A 28 7.494 -20.449 -11.203 1.00 8.70 H ATOM 522 HA TRP A 28 6.759 -18.533 -12.793 1.00 9.73 H ATOM 523 HB2 TRP A 28 7.020 -18.602 -10.007 1.00 9.66 H ATOM 524 HB3 TRP A 28 6.477 -17.322 -10.759 1.00 9.66 H ATOM 525 HD1 TRP A 28 5.207 -20.004 -9.042 1.00 10.73 H ATOM 526 HE1 TRP A 28 2.859 -20.373 -9.390 1.00 11.06 H ATOM 527 HE3 TRP A 28 4.602 -17.238 -13.027 1.00 10.14 H ATOM 528 HZ2 TRP A 28 0.974 -19.544 -11.196 1.00 11.01 H ATOM 529 HZ3 TRP A 28 2.523 -17.117 -13.945 1.00 11.16 H ATOM 530 HH2 TRP A 28 0.746 -18.233 -13.061 1.00 11.27 H ATOM 531 N MET A 29 9.616 -18.087 -11.452 1.00 8.98 N ANISOU 531 N MET A 29 1219 1062 1131 -88 -36 -90 N ATOM 532 CA MET A 29 10.829 -17.307 -11.485 1.00 8.65 C ANISOU 532 CA MET A 29 975 1044 1268 -48 -159 -136 C ATOM 533 C MET A 29 11.471 -17.388 -12.854 1.00 8.32 C ANISOU 533 C MET A 29 1153 982 1028 121 -155 -175 C ATOM 534 O MET A 29 11.941 -16.391 -13.383 1.00 9.64 O ANISOU 534 O MET A 29 1395 1069 1199 -8 -238 -193 O ATOM 535 CB MET A 29 11.803 -17.835 -10.451 1.00 8.17 C ANISOU 535 CB MET A 29 858 1094 1153 -22 -251 -90 C ATOM 536 CG MET A 29 11.421 -17.445 -8.994 1.00 9.86 C ANISOU 536 CG MET A 29 1544 1139 1064 -93 -451 31 C ATOM 537 SD MET A 29 11.511 -15.683 -8.662 1.00 11.15 S ANISOU 537 SD MET A 29 1787 1308 1140 38 -240 -183 S ATOM 538 CE MET A 29 13.176 -15.442 -8.884 1.00 11.75 C ANISOU 538 CE MET A 29 1626 1348 1492 -47 -417 -230 C ATOM 539 H MET A 29 9.665 -18.771 -10.932 1.00 10.75 H ATOM 540 HA MET A 29 10.624 -16.372 -11.273 1.00 10.36 H ATOM 541 HB2 MET A 29 11.824 -18.804 -10.505 1.00 9.78 H ATOM 542 HB3 MET A 29 12.684 -17.475 -10.636 1.00 9.78 H ATOM 543 HG2 MET A 29 10.510 -17.732 -8.823 1.00 11.81 H ATOM 544 HG3 MET A 29 12.026 -17.893 -8.383 1.00 11.81 H ATOM 545 HE1 MET A 29 13.380 -14.516 -8.735 1.00 14.08 H ATOM 546 HE2 MET A 29 13.657 -15.989 -8.259 1.00 14.08 H ATOM 547 HE3 MET A 29 13.409 -15.688 -9.782 1.00 14.08 H ATOM 548 N ACYS A 30 11.545 -18.581 -13.437 0.90 8.61 N ANISOU 548 N ACYS A 30 1259 864 1149 11 -170 51 N ATOM 549 N BCYS A 30 11.534 -18.578 -13.439 0.10 9.30 N ANISOU 549 N BCYS A 30 1265 1135 1133 26 -80 -133 N ATOM 550 CA ACYS A 30 12.029 -18.737 -14.805 0.90 9.55 C ANISOU 550 CA ACYS A 30 1283 1133 1214 90 -248 8 C ATOM 551 CA BCYS A 30 12.078 -18.695 -14.787 0.10 10.74 C ANISOU 551 CA BCYS A 30 1444 1376 1261 -57 -33 -144 C ATOM 552 C ACYS A 30 11.227 -17.879 -15.759 0.90 8.62 C ANISOU 552 C ACYS A 30 1216 985 1076 70 -37 -80 C ATOM 553 C BCYS A 30 11.252 -17.860 -15.768 0.10 9.64 C ANISOU 553 C BCYS A 30 1310 1255 1098 -33 -57 -108 C ATOM 554 O ACYS A 30 11.780 -17.177 -16.613 0.90 9.20 O ANISOU 554 O ACYS A 30 1370 1037 1091 -42 -138 -68 O ATOM 555 O BCYS A 30 11.810 -17.198 -16.644 0.10 9.58 O ANISOU 555 O BCYS A 30 1291 1270 1079 -25 -68 -114 O ATOM 556 CB ACYS A 30 12.046 -20.232 -15.170 0.90 10.23 C ANISOU 556 CB ACYS A 30 1391 1397 1097 268 -113 96 C ATOM 557 CB BCYS A 30 12.124 -20.154 -15.230 0.10 13.20 C ANISOU 557 CB BCYS A 30 1790 1733 1494 -166 109 -216 C ATOM 558 SG ACYS A 30 12.761 -20.588 -16.746 0.90 10.55 S ANISOU 558 SG ACYS A 30 1415 1258 1336 101 86 -126 S ATOM 559 SG BCYS A 30 10.580 -20.749 -15.919 0.10 16.14 S ANISOU 559 SG BCYS A 30 2422 2010 1700 -265 252 -331 S ATOM 560 H ACYS A 30 11.321 -19.320 -13.059 0.90 10.31 H ATOM 561 H BCYS A 30 11.275 -19.319 -13.086 0.10 11.13 H ATOM 562 HA ACYS A 30 12.955 -18.419 -14.840 0.90 11.44 H ATOM 563 HA BCYS A 30 12.995 -18.348 -14.792 0.10 12.86 H ATOM 564 HB2ACYS A 30 12.558 -20.710 -14.499 0.90 12.25 H ATOM 565 HB2BCYS A 30 12.809 -20.254 -15.909 0.10 15.82 H ATOM 566 HB3ACYS A 30 11.133 -20.560 -15.179 0.90 12.25 H ATOM 567 HB3BCYS A 30 12.339 -20.707 -14.463 0.10 15.82 H ATOM 568 N LEU A 31 9.929 -17.883 -15.616 1.00 8.91 N ANISOU 568 N LEU A 31 1288 1158 941 -37 -144 -66 N ATOM 569 CA LEU A 31 9.036 -17.070 -16.466 1.00 8.44 C ANISOU 569 CA LEU A 31 1111 1115 980 4 -231 -4 C ATOM 570 C LEU A 31 9.412 -15.578 -16.328 1.00 8.28 C ANISOU 570 C LEU A 31 1116 1116 914 75 -105 24 C ATOM 571 O LEU A 31 9.637 -14.871 -17.316 1.00 9.42 O ANISOU 571 O LEU A 31 1231 1258 1091 -40 -99 37 O ATOM 572 CB LEU A 31 7.588 -17.292 -16.069 1.00 8.71 C ANISOU 572 CB LEU A 31 1053 1238 1018 -86 -104 -39 C ATOM 573 CG LEU A 31 6.567 -16.443 -16.854 1.00 10.04 C ANISOU 573 CG LEU A 31 1181 1249 1384 112 -375 9 C ATOM 574 CD1 LEU A 31 6.443 -16.909 -18.295 1.00 11.73 C ANISOU 574 CD1 LEU A 31 1557 1580 1320 -128 -666 -103 C ATOM 575 CD2 LEU A 31 5.198 -16.482 -16.184 1.00 10.53 C ANISOU 575 CD2 LEU A 31 1299 1243 1458 75 -294 48 C ATOM 576 H LEU A 31 9.514 -18.354 -15.029 1.00 10.67 H ATOM 577 HA LEU A 31 9.146 -17.334 -17.403 1.00 10.10 H ATOM 578 HB2 LEU A 31 7.367 -18.225 -16.213 1.00 10.43 H ATOM 579 HB3 LEU A 31 7.488 -17.075 -15.129 1.00 10.43 H ATOM 580 HG LEU A 31 6.868 -15.521 -16.864 1.00 12.02 H ATOM 581 HD11 LEU A 31 5.800 -16.357 -18.746 1.00 14.05 H ATOM 582 HD12 LEU A 31 7.299 -16.833 -18.722 1.00 14.05 H ATOM 583 HD13 LEU A 31 6.152 -17.824 -18.303 1.00 14.05 H ATOM 584 HD21 LEU A 31 4.586 -15.947 -16.694 1.00 12.61 H ATOM 585 HD22 LEU A 31 4.891 -17.391 -16.153 1.00 12.61 H ATOM 586 HD23 LEU A 31 5.276 -16.132 -15.293 1.00 12.61 H ATOM 587 N ALA A 32 9.496 -15.083 -15.089 1.00 8.42 N ANISOU 587 N ALA A 32 1192 950 1057 -77 -40 34 N ATOM 588 CA ALA A 32 9.798 -13.674 -14.873 1.00 8.38 C ANISOU 588 CA ALA A 32 1059 1050 1076 24 -95 -53 C ATOM 589 C ALA A 32 11.186 -13.325 -15.398 1.00 8.81 C ANISOU 589 C ALA A 32 1135 1051 1161 40 -60 -36 C ATOM 590 O ALA A 32 11.380 -12.238 -15.924 1.00 9.83 O ANISOU 590 O ALA A 32 1436 1101 1197 -98 -183 66 O ATOM 591 CB ALA A 32 9.697 -13.332 -13.402 1.00 9.31 C ANISOU 591 CB ALA A 32 968 1198 1370 -125 -226 -110 C ATOM 592 H ALA A 32 9.384 -15.539 -14.369 1.00 10.08 H ATOM 593 HA ALA A 32 9.144 -13.128 -15.358 1.00 10.03 H ATOM 594 HB1 ALA A 32 9.899 -12.401 -13.283 1.00 11.14 H ATOM 595 HB2 ALA A 32 8.804 -13.515 -13.099 1.00 11.14 H ATOM 596 HB3 ALA A 32 10.325 -13.869 -12.913 1.00 11.14 H ATOM 597 N LYS A 33 12.167 -14.187 -15.200 1.00 8.33 N ANISOU 597 N LYS A 33 896 1052 1218 110 -170 -95 N ATOM 598 CA LYS A 33 13.506 -13.941 -15.632 1.00 8.37 C ANISOU 598 CA LYS A 33 819 1241 1120 86 -20 -186 C ATOM 599 C LYS A 33 13.527 -13.694 -17.119 1.00 9.03 C ANISOU 599 C LYS A 33 1196 1134 1102 -97 -82 -126 C ATOM 600 O LYS A 33 14.111 -12.702 -17.618 1.00 10.82 O ANISOU 600 O LYS A 33 1430 1372 1309 -241 25 -146 O ATOM 601 CB LYS A 33 14.441 -15.111 -15.303 1.00 10.35 C ANISOU 601 CB LYS A 33 815 1550 1567 -18 130 119 C ATOM 602 CG LYS A 33 15.880 -14.917 -15.631 1.00 16.05 C ANISOU 602 CG LYS A 33 1564 2043 2493 157 132 291 C ATOM 603 CD LYS A 33 16.250 -15.377 -16.988 1.00 22.09 C ANISOU 603 CD LYS A 33 2504 2597 3291 -41 -24 376 C ATOM 604 CE LYS A 33 17.356 -14.591 -17.665 1.00 28.09 C ANISOU 604 CE LYS A 33 3561 3214 3897 -61 -41 442 C ATOM 605 NZ LYS A 33 18.602 -15.045 -17.057 1.00 30.59 N ANISOU 605 NZ LYS A 33 3808 3621 4195 -24 -132 516 N ATOM 606 H LYS A 33 12.068 -14.943 -14.802 1.00 9.97 H ATOM 607 HA LYS A 33 13.848 -13.140 -15.183 1.00 10.02 H ATOM 608 HB2 LYS A 33 14.384 -15.287 -14.351 1.00 12.39 H ATOM 609 HB3 LYS A 33 14.136 -15.891 -15.793 1.00 12.39 H ATOM 610 HG2 LYS A 33 16.090 -13.972 -15.571 1.00 19.24 H ATOM 611 HG3 LYS A 33 16.416 -15.414 -14.993 1.00 19.24 H ATOM 612 HD2 LYS A 33 16.543 -16.300 -16.929 1.00 26.48 H ATOM 613 HD3 LYS A 33 15.465 -15.322 -17.555 1.00 26.48 H ATOM 614 HE2 LYS A 33 17.373 -14.783 -18.615 1.00 33.68 H ATOM 615 HE3 LYS A 33 17.245 -13.641 -17.498 1.00 33.68 H ATOM 616 HZ1 LYS A 33 18.705 -15.919 -17.191 1.00 36.69 H ATOM 617 HZ2 LYS A 33 19.292 -14.614 -17.419 1.00 36.69 H ATOM 618 HZ3 LYS A 33 18.589 -14.887 -16.181 1.00 36.69 H ATOM 619 N TRP A 34 12.955 -14.620 -17.881 1.00 9.30 N ANISOU 619 N TRP A 34 1419 991 1122 -176 -104 -11 N ATOM 620 CA TRP A 34 13.037 -14.518 -19.322 1.00 10.42 C ANISOU 620 CA TRP A 34 1425 1275 1261 95 -194 20 C ATOM 621 C TRP A 34 12.089 -13.507 -19.883 1.00 10.71 C ANISOU 621 C TRP A 34 1476 1356 1237 -39 -298 171 C ATOM 622 O TRP A 34 12.381 -12.919 -20.946 1.00 13.60 O ANISOU 622 O TRP A 34 1879 1873 1414 344 242 364 O ATOM 623 CB TRP A 34 12.916 -15.935 -19.980 1.00 10.86 C ANISOU 623 CB TRP A 34 1423 1297 1407 110 -125 -257 C ATOM 624 CG TRP A 34 14.138 -16.745 -19.639 1.00 11.12 C ANISOU 624 CG TRP A 34 1419 1163 1644 -39 217 -224 C ATOM 625 CD1 TRP A 34 14.236 -17.785 -18.741 1.00 13.51 C ANISOU 625 CD1 TRP A 34 1851 1321 1960 148 488 45 C ATOM 626 CD2 TRP A 34 15.424 -16.530 -20.158 1.00 15.75 C ANISOU 626 CD2 TRP A 34 1675 1619 2689 -8 515 209 C ATOM 627 NE1 TRP A 34 15.516 -18.161 -18.659 1.00 17.08 N ANISOU 627 NE1 TRP A 34 1939 1922 2627 461 199 385 N ATOM 628 CE2 TRP A 34 16.293 -17.385 -19.499 1.00 18.81 C ANISOU 628 CE2 TRP A 34 1822 2215 3109 211 482 481 C ATOM 629 CE3 TRP A 34 15.943 -15.613 -21.084 1.00 20.07 C ANISOU 629 CE3 TRP A 34 2067 2183 3374 142 817 425 C ATOM 630 CZ2 TRP A 34 17.679 -17.434 -19.820 1.00 23.29 C ANISOU 630 CZ2 TRP A 34 2471 2682 3696 112 499 715 C ATOM 631 CZ3 TRP A 34 17.307 -15.634 -21.368 1.00 23.85 C ANISOU 631 CZ3 TRP A 34 2641 2630 3790 265 948 629 C ATOM 632 CH2 TRP A 34 18.153 -16.531 -20.737 1.00 24.28 C ANISOU 632 CH2 TRP A 34 2527 2821 3878 330 688 703 C ATOM 633 H TRP A 34 12.523 -15.304 -17.590 1.00 11.13 H ATOM 634 HA TRP A 34 13.937 -14.194 -19.537 1.00 12.48 H ATOM 635 HB2 TRP A 34 12.133 -16.392 -19.633 1.00 13.01 H ATOM 636 HB3 TRP A 34 12.861 -15.845 -20.944 1.00 13.01 H ATOM 637 HD1 TRP A 34 13.538 -18.124 -18.228 1.00 16.18 H ATOM 638 HE1 TRP A 34 15.812 -18.797 -18.161 1.00 20.47 H ATOM 639 HE3 TRP A 34 15.388 -14.987 -21.488 1.00 24.05 H ATOM 640 HZ2 TRP A 34 18.247 -18.044 -19.408 1.00 27.92 H ATOM 641 HZ3 TRP A 34 17.656 -15.031 -21.985 1.00 28.59 H ATOM 642 HH2 TRP A 34 19.057 -16.538 -20.959 1.00 29.11 H ATOM 643 N GLU A 35 10.928 -13.330 -19.334 1.00 9.87 N ANISOU 643 N GLU A 35 1278 1286 1188 17 -3 30 N ATOM 644 CA GLU A 35 9.967 -12.360 -19.842 1.00 10.66 C ANISOU 644 CA GLU A 35 1530 1287 1234 87 108 26 C ATOM 645 C GLU A 35 10.477 -10.913 -19.643 1.00 9.90 C ANISOU 645 C GLU A 35 1431 1256 1076 104 291 270 C ATOM 646 O GLU A 35 10.426 -10.145 -20.576 1.00 11.27 O ANISOU 646 O GLU A 35 1815 1315 1153 106 130 259 O ATOM 647 CB GLU A 35 8.573 -12.498 -19.182 1.00 11.23 C ANISOU 647 CB GLU A 35 1522 1329 1416 219 0 91 C ATOM 648 CG GLU A 35 7.801 -13.775 -19.581 1.00 12.04 C ANISOU 648 CG GLU A 35 1849 1399 1327 -163 -34 -63 C ATOM 649 CD GLU A 35 7.423 -13.819 -21.014 1.00 13.43 C ANISOU 649 CD GLU A 35 2158 1553 1390 -27 -52 -55 C ATOM 650 OE1 GLU A 35 7.409 -12.780 -21.697 1.00 15.01 O ANISOU 650 OE1 GLU A 35 2626 1777 1299 382 -323 -55 O ATOM 651 OE2 GLU A 35 7.076 -14.940 -21.465 1.00 15.06 O ANISOU 651 OE2 GLU A 35 2307 1899 1518 -443 101 -144 O ATOM 652 H GLU A 35 10.650 -13.764 -18.645 1.00 11.82 H ATOM 653 HA GLU A 35 9.856 -12.506 -20.805 1.00 12.77 H ATOM 654 HB2 GLU A 35 8.685 -12.510 -18.219 1.00 13.45 H ATOM 655 HB3 GLU A 35 8.032 -11.735 -19.438 1.00 13.45 H ATOM 656 HG2 GLU A 35 8.358 -14.548 -19.397 1.00 14.43 H ATOM 657 HG3 GLU A 35 6.986 -13.825 -19.057 1.00 14.43 H ATOM 658 N SER A 36 10.982 -10.576 -18.451 1.00 10.01 N ANISOU 658 N SER A 36 1683 1157 965 60 -17 59 N ATOM 659 CA SER A 36 11.250 -9.187 -18.135 1.00 10.31 C ANISOU 659 CA SER A 36 1344 1231 1342 -185 43 161 C ATOM 660 C SER A 36 12.566 -8.943 -17.501 1.00 11.04 C ANISOU 660 C SER A 36 1456 1299 1439 -65 353 -8 C ATOM 661 O SER A 36 12.836 -7.782 -17.161 1.00 12.55 O ANISOU 661 O SER A 36 1922 1256 1589 -205 149 15 O ATOM 662 CB SER A 36 10.213 -8.682 -17.150 1.00 11.25 C ANISOU 662 CB SER A 36 1580 1267 1427 -152 -242 -110 C ATOM 663 OG SER A 36 10.344 -9.323 -15.920 1.00 10.62 O ANISOU 663 OG SER A 36 1532 1319 1184 -3 -176 -37 O ATOM 664 H SER A 36 11.173 -11.131 -17.822 1.00 11.99 H ATOM 665 HA SER A 36 11.193 -8.649 -18.952 1.00 12.34 H ATOM 666 HB2 SER A 36 10.336 -7.728 -17.024 1.00 13.47 H ATOM 667 HB3 SER A 36 9.327 -8.858 -17.505 1.00 13.47 H ATOM 668 HG SER A 36 9.780 -9.043 -15.396 1.00 12.71 H ATOM 669 N GLY A 37 13.353 -9.949 -17.171 1.00 10.99 N ANISOU 669 N GLY A 37 1279 1442 1456 -141 199 -11 N ATOM 670 CA GLY A 37 14.469 -9.725 -16.296 1.00 11.74 C ANISOU 670 CA GLY A 37 1443 1476 1541 -240 318 1 C ATOM 671 C GLY A 37 14.137 -9.229 -14.902 1.00 10.35 C ANISOU 671 C GLY A 37 1268 1300 1364 -275 -85 -104 C ATOM 672 O GLY A 37 14.877 -8.396 -14.314 1.00 12.33 O ANISOU 672 O GLY A 37 1649 1437 1598 -330 73 -177 O ATOM 673 H GLY A 37 13.260 -10.761 -17.440 1.00 13.17 H ATOM 674 HA2 GLY A 37 14.963 -10.555 -16.204 1.00 14.06 H ATOM 675 HA3 GLY A 37 15.059 -9.073 -16.707 1.00 14.06 H ATOM 676 N TYR A 38 13.021 -9.643 -14.400 1.00 9.40 N ANISOU 676 N TYR A 38 1262 1242 1068 -192 -209 -118 N ATOM 677 CA TYR A 38 12.545 -9.263 -13.084 1.00 9.26 C ANISOU 677 CA TYR A 38 1344 1212 963 -242 -223 53 C ATOM 678 C TYR A 38 12.220 -7.790 -12.936 1.00 10.05 C ANISOU 678 C TYR A 38 1332 1339 1147 -126 -282 42 C ATOM 679 O TYR A 38 12.310 -7.229 -11.867 1.00 11.55 O ANISOU 679 O TYR A 38 2000 1183 1205 -195 -248 101 O ATOM 680 CB TYR A 38 13.475 -9.705 -11.936 1.00 10.90 C ANISOU 680 CB TYR A 38 1520 1356 1268 -167 -253 34 C ATOM 681 CG TYR A 38 14.023 -11.132 -11.978 1.00 11.06 C ANISOU 681 CG TYR A 38 1572 1367 1262 -322 -412 -37 C ATOM 682 CD1 TYR A 38 13.254 -12.231 -12.216 1.00 11.23 C ANISOU 682 CD1 TYR A 38 1515 1380 1373 -41 -201 -32 C ATOM 683 CD2 TYR A 38 15.331 -11.338 -11.685 1.00 12.95 C ANISOU 683 CD2 TYR A 38 1534 1637 1748 -393 -382 70 C ATOM 684 CE1 TYR A 38 13.758 -13.519 -12.143 1.00 11.06 C ANISOU 684 CE1 TYR A 38 1783 1258 1160 -37 -410 -48 C ATOM 685 CE2 TYR A 38 15.854 -12.637 -11.585 1.00 14.27 C ANISOU 685 CE2 TYR A 38 1854 1702 1865 -61 -726 90 C ATOM 686 CZ TYR A 38 15.039 -13.702 -11.837 1.00 12.57 C ANISOU 686 CZ TYR A 38 1820 1371 1586 130 -409 19 C ATOM 687 OH TYR A 38 15.484 -15.007 -11.812 1.00 14.97 O ANISOU 687 OH TYR A 38 2617 1513 1556 295 -626 48 O ATOM 688 H TYR A 38 12.484 -10.172 -14.814 1.00 11.26 H ATOM 689 HA TYR A 38 11.700 -9.739 -12.942 1.00 11.09 H ATOM 690 HB2 TYR A 38 14.240 -9.108 -11.923 1.00 13.06 H ATOM 691 HB3 TYR A 38 12.987 -9.613 -11.103 1.00 13.06 H ATOM 692 HD1 TYR A 38 12.350 -12.114 -12.399 1.00 13.45 H ATOM 693 HD2 TYR A 38 15.873 -10.610 -11.481 1.00 15.51 H ATOM 694 HE1 TYR A 38 13.208 -14.248 -12.317 1.00 13.24 H ATOM 695 HE2 TYR A 38 16.754 -12.768 -11.393 1.00 17.09 H ATOM 696 HH TYR A 38 15.767 -15.193 -11.065 1.00 17.94 H ATOM 697 N ASN A 39 11.796 -7.177 -14.035 1.00 10.15 N ANISOU 697 N ASN A 39 1476 1293 1089 -201 -210 -51 N ATOM 698 CA ASN A 39 11.604 -5.726 -14.114 1.00 9.36 C ANISOU 698 CA ASN A 39 1391 1127 1038 -215 -335 42 C ATOM 699 C ASN A 39 10.148 -5.412 -14.277 1.00 9.36 C ANISOU 699 C ASN A 39 1420 937 1199 -238 -78 -102 C ATOM 700 O ASN A 39 9.588 -5.705 -15.334 1.00 10.45 O ANISOU 700 O ASN A 39 1568 1049 1354 -146 -66 -229 O ATOM 701 CB ASN A 39 12.432 -5.233 -15.313 1.00 11.55 C ANISOU 701 CB ASN A 39 1716 1427 1245 -389 -148 -128 C ATOM 702 CG ASN A 39 12.279 -3.771 -15.558 1.00 12.34 C ANISOU 702 CG ASN A 39 1953 1434 1301 -483 -233 -94 C ATOM 703 OD1 ASN A 39 11.796 -3.009 -14.753 1.00 12.44 O ANISOU 703 OD1 ASN A 39 1941 1389 1398 -249 -290 160 O ATOM 704 ND2 ASN A 39 12.718 -3.355 -16.719 1.00 14.35 N ANISOU 704 ND2 ASN A 39 2494 1483 1475 -696 -20 -135 N ATOM 705 H ASN A 39 11.607 -7.586 -14.767 1.00 12.16 H ATOM 706 HA ASN A 39 11.936 -5.298 -13.297 1.00 11.21 H ATOM 707 HB2 ASN A 39 13.370 -5.413 -15.145 1.00 13.83 H ATOM 708 HB3 ASN A 39 12.142 -5.703 -16.111 1.00 13.83 H ATOM 709 HD21 ASN A 39 13.064 -3.914 -17.274 1.00 17.19 H ATOM 710 HD22 ASN A 39 12.662 -2.522 -16.926 1.00 17.19 H ATOM 711 N THR A 40 9.537 -4.726 -13.294 1.00 8.95 N ANISOU 711 N THR A 40 1068 1065 1267 -233 -132 -58 N ATOM 712 CA THR A 40 8.171 -4.403 -13.392 1.00 9.65 C ANISOU 712 CA THR A 40 1194 1058 1415 -213 -189 -187 C ATOM 713 C THR A 40 7.821 -3.308 -14.397 1.00 11.38 C ANISOU 713 C THR A 40 1641 1121 1563 39 -231 -381 C ATOM 714 O THR A 40 6.690 -3.228 -14.748 1.00 12.66 O ANISOU 714 O THR A 40 1487 1347 1975 141 -355 -281 O ATOM 715 CB THR A 40 7.649 -3.946 -12.011 1.00 10.35 C ANISOU 715 CB THR A 40 1451 1185 1298 -80 54 -161 C ATOM 716 OG1 THR A 40 8.259 -2.707 -11.608 1.00 11.15 O ANISOU 716 OG1 THR A 40 1768 1252 1218 -98 125 -169 O ATOM 717 CG2 THR A 40 7.865 -4.974 -10.862 1.00 11.41 C ANISOU 717 CG2 THR A 40 1621 1298 1415 -159 481 -13 C ATOM 718 H THR A 40 9.919 -4.451 -12.574 1.00 10.71 H ATOM 719 HA THR A 40 7.676 -5.210 -13.646 1.00 11.56 H ATOM 720 HB THR A 40 6.693 -3.800 -12.086 1.00 12.40 H ATOM 721 HG1 THR A 40 7.972 -2.479 -10.875 1.00 13.36 H ATOM 722 HG21 THR A 40 7.517 -4.623 -10.038 1.00 13.66 H ATOM 723 HG22 THR A 40 7.411 -5.795 -11.067 1.00 13.66 H ATOM 724 HG23 THR A 40 8.801 -5.154 -10.754 1.00 13.66 H ATOM 725 N ARG A 41 8.816 -2.570 -14.839 1.00 11.34 N ANISOU 725 N ARG A 41 2132 1021 1154 59 -390 -88 N ATOM 726 CA ARG A 41 8.605 -1.505 -15.835 1.00 12.84 C ANISOU 726 CA ARG A 41 2649 1118 1114 66 -111 79 C ATOM 727 C ARG A 41 8.784 -1.987 -17.272 1.00 11.92 C ANISOU 727 C ARG A 41 2092 1252 1188 -359 -11 91 C ATOM 728 O ARG A 41 8.599 -1.214 -18.217 1.00 11.58 O ANISOU 728 O ARG A 41 1852 1421 1127 -98 -75 149 O ATOM 729 CB ARG A 41 9.632 -0.374 -15.609 1.00 17.96 C ANISOU 729 CB ARG A 41 4053 1190 1579 1 -237 55 C ATOM 730 CG ARG A 41 9.592 0.497 -14.444 1.00 23.35 C ANISOU 730 CG ARG A 41 4544 1806 2520 -23 -437 -180 C ATOM 731 CD ARG A 41 10.710 1.640 -14.597 1.00 25.75 C ANISOU 731 CD ARG A 41 4022 2473 3289 117 -463 -275 C ATOM 732 NE ARG A 41 10.541 2.673 -13.660 1.00 25.94 N ANISOU 732 NE ARG A 41 3482 2635 3738 796 -86 -296 N ATOM 733 CZ ARG A 41 9.902 3.819 -13.891 1.00 24.06 C ANISOU 733 CZ ARG A 41 2910 2456 3775 466 -6 -415 C ATOM 734 NH1 ARG A 41 9.392 4.121 -15.089 1.00 23.47 N ANISOU 734 NH1 ARG A 41 2979 2139 3800 200 241 -462 N ATOM 735 NH2 ARG A 41 9.757 4.635 -12.885 1.00 26.19 N ANISOU 735 NH2 ARG A 41 3245 2843 3864 398 108 -358 N ATOM 736 H ARG A 41 9.633 -2.655 -14.585 1.00 13.58 H ATOM 737 HA ARG A 41 7.703 -1.135 -15.738 1.00 15.39 H ATOM 738 HB2 ARG A 41 10.509 -0.788 -15.601 1.00 21.52 H ATOM 739 HB3 ARG A 41 9.579 0.212 -16.380 1.00 21.52 H ATOM 740 HG2 ARG A 41 8.722 0.920 -14.382 1.00 27.99 H ATOM 741 HG3 ARG A 41 9.781 -0.018 -13.644 1.00 27.99 H ATOM 742 HD2 ARG A 41 11.587 1.248 -14.459 1.00 30.88 H ATOM 743 HD3 ARG A 41 10.653 2.025 -15.485 1.00 30.88 H ATOM 744 HE ARG A 41 10.875 2.557 -12.876 1.00 31.10 H ATOM 745 HH11 ARG A 41 9.469 3.567 -15.742 1.00 28.14 H ATOM 746 HH12 ARG A 41 8.991 4.873 -15.208 1.00 28.14 H ATOM 747 HH21 ARG A 41 10.099 4.439 -12.120 1.00 31.41 H ATOM 748 HH22 ARG A 41 9.377 5.397 -13.002 1.00 31.41 H ATOM 749 N ALA A 42 9.134 -3.261 -17.457 1.00 11.18 N ANISOU 749 N ALA A 42 1810 1192 1247 -164 -242 -23 N ATOM 750 CA ALA A 42 9.370 -3.728 -18.805 1.00 11.77 C ANISOU 750 CA ALA A 42 1914 1220 1338 -175 -65 -77 C ATOM 751 C ALA A 42 8.126 -3.592 -19.635 1.00 10.53 C ANISOU 751 C ALA A 42 1664 1281 1055 -170 60 -111 C ATOM 752 O ALA A 42 7.022 -3.956 -19.246 1.00 10.93 O ANISOU 752 O ALA A 42 1872 1219 1063 -266 55 -41 O ATOM 753 CB ALA A 42 9.740 -5.170 -18.791 1.00 12.74 C ANISOU 753 CB ALA A 42 1842 1506 1493 -54 -236 -171 C ATOM 754 H ALA A 42 9.237 -3.849 -16.838 1.00 13.40 H ATOM 755 HA ALA A 42 10.093 -3.213 -19.221 1.00 14.10 H ATOM 756 HB1 ALA A 42 9.892 -5.462 -19.693 1.00 15.26 H ATOM 757 HB2 ALA A 42 10.538 -5.283 -18.271 1.00 15.26 H ATOM 758 HB3 ALA A 42 9.021 -5.673 -18.401 1.00 15.26 H ATOM 759 N THR A 43 8.322 -3.213 -20.916 1.00 11.56 N ANISOU 759 N THR A 43 1686 1650 1058 -405 -80 108 N ATOM 760 CA THR A 43 7.273 -3.218 -21.907 1.00 12.00 C ANISOU 760 CA THR A 43 1650 1609 1300 -280 84 155 C ATOM 761 C THR A 43 7.897 -3.657 -23.258 1.00 12.15 C ANISOU 761 C THR A 43 1252 1946 1420 -209 -3 97 C ATOM 762 O THR A 43 9.046 -3.417 -23.548 1.00 14.54 O ANISOU 762 O THR A 43 1481 2480 1562 -197 195 -174 O ATOM 763 CB THR A 43 6.608 -1.853 -22.107 1.00 13.67 C ANISOU 763 CB THR A 43 2209 1589 1395 -272 171 118 C ATOM 764 OG1 THR A 43 7.590 -0.933 -22.532 1.00 15.99 O ANISOU 764 OG1 THR A 43 2536 1706 1834 6 111 389 O ATOM 765 CG2 THR A 43 5.943 -1.324 -20.849 1.00 13.10 C ANISOU 765 CG2 THR A 43 2270 1430 1276 82 36 68 C ATOM 766 H THR A 43 9.080 -2.946 -21.223 1.00 13.85 H ATOM 767 HA THR A 43 6.585 -3.868 -21.653 1.00 14.37 H ATOM 768 HB THR A 43 5.929 -1.931 -22.795 1.00 16.37 H ATOM 769 HG1 THR A 43 7.252 -0.194 -22.645 1.00 19.17 H ATOM 770 HG21 THR A 43 5.542 -0.470 -21.024 1.00 15.69 H ATOM 771 HG22 THR A 43 5.262 -1.934 -20.556 1.00 15.69 H ATOM 772 HG23 THR A 43 6.595 -1.225 -20.150 1.00 15.69 H ATOM 773 N ASN A 44 7.078 -4.347 -24.007 1.00 11.18 N ANISOU 773 N ASN A 44 1439 1798 1010 -251 -68 -23 N ATOM 774 CA ASN A 44 7.416 -4.751 -25.357 1.00 11.57 C ANISOU 774 CA ASN A 44 1674 1760 961 70 81 14 C ATOM 775 C ASN A 44 6.246 -4.552 -26.249 1.00 12.26 C ANISOU 775 C ASN A 44 1958 1712 990 -107 -187 100 C ATOM 776 O ASN A 44 5.211 -5.120 -26.097 1.00 12.48 O ANISOU 776 O ASN A 44 1862 1750 1130 154 14 -49 O ATOM 777 CB ASN A 44 7.842 -6.197 -25.382 1.00 14.79 C ANISOU 777 CB ASN A 44 2105 2222 1293 189 154 -113 C ATOM 778 CG ASN A 44 8.267 -6.616 -26.732 1.00 21.17 C ANISOU 778 CG ASN A 44 2893 2930 2222 476 163 -332 C ATOM 779 OD1 ASN A 44 9.339 -6.239 -27.167 1.00 23.11 O ANISOU 779 OD1 ASN A 44 3106 3224 2450 582 870 -244 O ATOM 780 ND2 ASN A 44 7.406 -7.343 -27.451 1.00 23.53 N ANISOU 780 ND2 ASN A 44 3410 2980 2552 584 -158 -756 N ATOM 781 H ASN A 44 6.297 -4.604 -23.755 1.00 13.39 H ATOM 782 HA ASN A 44 8.157 -4.202 -25.688 1.00 13.86 H ATOM 783 HB2 ASN A 44 8.591 -6.320 -24.776 1.00 17.72 H ATOM 784 HB3 ASN A 44 7.097 -6.755 -25.111 1.00 17.72 H ATOM 785 HD21 ASN A 44 6.638 -7.548 -27.123 1.00 28.22 H ATOM 786 HD22 ASN A 44 7.619 -7.604 -28.242 1.00 28.22 H ATOM 787 N TYR A 45 6.449 -3.680 -27.256 1.00 14.11 N ANISOU 787 N TYR A 45 2479 1803 1081 -496 -173 154 N ATOM 788 CA TYR A 45 5.409 -3.408 -28.258 1.00 13.69 C ANISOU 788 CA TYR A 45 2232 1671 1300 -331 1 216 C ATOM 789 C TYR A 45 5.564 -4.401 -29.419 1.00 12.37 C ANISOU 789 C TYR A 45 1555 1765 1379 140 159 268 C ATOM 790 O TYR A 45 6.647 -4.621 -29.895 1.00 14.39 O ANISOU 790 O TYR A 45 1626 2265 1577 27 -216 15 O ATOM 791 CB TYR A 45 5.495 -1.973 -28.716 1.00 14.84 C ANISOU 791 CB TYR A 45 2394 1629 1616 -333 -191 283 C ATOM 792 CG TYR A 45 4.535 -1.656 -29.844 1.00 14.73 C ANISOU 792 CG TYR A 45 2748 1603 1247 -242 -208 213 C ATOM 793 CD1 TYR A 45 3.182 -1.607 -29.598 1.00 15.73 C ANISOU 793 CD1 TYR A 45 3010 1636 1333 -123 -216 5 C ATOM 794 CD2 TYR A 45 4.933 -1.415 -31.216 1.00 15.00 C ANISOU 794 CD2 TYR A 45 2626 1771 1304 -34 -452 14 C ATOM 795 CE1 TYR A 45 2.269 -1.350 -30.602 1.00 16.36 C ANISOU 795 CE1 TYR A 45 3062 1602 1550 236 -112 234 C ATOM 796 CE2 TYR A 45 4.007 -1.055 -32.156 1.00 15.56 C ANISOU 796 CE2 TYR A 45 2771 1771 1370 203 -84 351 C ATOM 797 CZ TYR A 45 2.698 -1.073 -31.866 1.00 17.10 C ANISOU 797 CZ TYR A 45 3055 1811 1630 262 -237 371 C ATOM 798 OH TYR A 45 1.731 -0.760 -32.768 1.00 19.30 O ANISOU 798 OH TYR A 45 3253 2165 1916 161 -475 374 O ATOM 799 H TYR A 45 7.176 -3.238 -27.376 1.00 16.91 H ATOM 800 HA TYR A 45 4.527 -3.547 -27.854 1.00 16.41 H ATOM 801 HB2 TYR A 45 5.282 -1.391 -27.969 1.00 17.78 H ATOM 802 HB3 TYR A 45 6.395 -1.795 -29.029 1.00 17.78 H ATOM 803 HD1 TYR A 45 2.872 -1.790 -28.741 1.00 18.86 H ATOM 804 HD2 TYR A 45 5.838 -1.393 -31.432 1.00 17.98 H ATOM 805 HE1 TYR A 45 1.362 -1.302 -30.400 1.00 19.60 H ATOM 806 HE2 TYR A 45 4.280 -0.906 -33.032 1.00 18.64 H ATOM 807 HH TYR A 45 1.742 -1.297 -33.388 1.00 23.14 H ATOM 808 N ASN A 46 4.447 -5.014 -29.745 1.00 11.67 N ANISOU 808 N ASN A 46 1637 1569 1229 124 8 223 N ATOM 809 CA ASN A 46 4.369 -5.974 -30.827 1.00 12.65 C ANISOU 809 CA ASN A 46 1931 1682 1193 140 -203 -52 C ATOM 810 C ASN A 46 3.789 -5.288 -32.070 1.00 11.63 C ANISOU 810 C ASN A 46 1517 1678 1225 62 -18 15 C ATOM 811 O ASN A 46 2.563 -5.212 -32.220 1.00 12.24 O ANISOU 811 O ASN A 46 1544 1789 1318 90 -104 -121 O ATOM 812 CB ASN A 46 3.527 -7.168 -30.443 1.00 14.56 C ANISOU 812 CB ASN A 46 2384 1800 1346 173 -153 -217 C ATOM 813 CG ASN A 46 4.051 -7.819 -29.180 1.00 15.87 C ANISOU 813 CG ASN A 46 2554 1952 1522 -37 -23 0 C ATOM 814 OD1 ASN A 46 5.175 -8.317 -29.193 1.00 18.76 O ANISOU 814 OD1 ASN A 46 2639 2509 1981 156 -247 140 O ATOM 815 ND2 ASN A 46 3.263 -7.780 -28.087 1.00 15.92 N ANISOU 815 ND2 ASN A 46 2758 1801 1489 164 -234 354 N ATOM 816 H ASN A 46 3.697 -4.888 -29.343 1.00 13.98 H ATOM 817 HA ASN A 46 5.270 -6.292 -31.044 1.00 15.15 H ATOM 818 HB2 ASN A 46 2.615 -6.879 -30.283 1.00 17.44 H ATOM 819 HB3 ASN A 46 3.553 -7.823 -31.158 1.00 17.44 H ATOM 820 HD21 ASN A 46 2.495 -7.395 -28.124 1.00 19.08 H ATOM 821 HD22 ASN A 46 3.529 -8.140 -27.353 1.00 19.08 H ATOM 822 N ALA A 47 4.670 -4.775 -32.955 1.00 12.21 N ANISOU 822 N ALA A 47 1334 1872 1434 40 71 53 N ATOM 823 CA ALA A 47 4.164 -4.026 -34.090 1.00 13.01 C ANISOU 823 CA ALA A 47 1361 1974 1607 -162 -335 206 C ATOM 824 C ALA A 47 3.235 -4.833 -34.947 1.00 12.40 C ANISOU 824 C ALA A 47 1228 2011 1471 -315 -69 193 C ATOM 825 O ALA A 47 2.348 -4.245 -35.592 1.00 14.61 O ANISOU 825 O ALA A 47 1843 2207 1502 -105 -521 86 O ATOM 826 CB ALA A 47 5.338 -3.484 -34.938 1.00 15.48 C ANISOU 826 CB ALA A 47 1891 2164 1829 -278 -69 312 C ATOM 827 H ALA A 47 5.526 -4.849 -32.913 1.00 14.63 H ATOM 828 HA ALA A 47 3.661 -3.255 -33.754 1.00 15.58 H ATOM 829 HB1 ALA A 47 4.985 -2.992 -35.682 1.00 18.56 H ATOM 830 HB2 ALA A 47 5.878 -2.908 -34.391 1.00 18.56 H ATOM 831 HB3 ALA A 47 5.864 -4.223 -35.253 1.00 18.56 H ATOM 832 N GLY A 48 3.455 -6.137 -35.048 1.00 12.51 N ANISOU 832 N GLY A 48 1190 2201 1363 -298 -9 181 N ATOM 833 CA GLY A 48 2.611 -6.978 -35.879 1.00 13.00 C ANISOU 833 CA GLY A 48 1496 2083 1360 -185 -270 68 C ATOM 834 C GLY A 48 1.153 -7.047 -35.549 1.00 11.95 C ANISOU 834 C GLY A 48 1624 1585 1330 -68 -235 -23 C ATOM 835 O GLY A 48 0.353 -7.300 -36.444 1.00 12.94 O ANISOU 835 O GLY A 48 1698 1812 1407 18 -252 -257 O ATOM 836 H GLY A 48 4.087 -6.558 -34.645 1.00 14.99 H ATOM 837 HA2 GLY A 48 2.685 -6.671 -36.796 1.00 15.57 H ATOM 838 HA3 GLY A 48 2.958 -7.883 -35.845 1.00 15.57 H ATOM 839 N ASP A 49 0.780 -6.908 -34.289 1.00 11.56 N ANISOU 839 N ASP A 49 1434 1861 1097 16 -179 -137 N ATOM 840 CA ASP A 49 -0.613 -6.963 -33.932 1.00 11.96 C ANISOU 840 CA ASP A 49 1545 1693 1308 154 -372 107 C ATOM 841 C ASP A 49 -1.071 -5.805 -33.063 1.00 11.98 C ANISOU 841 C ASP A 49 1761 1584 1208 -84 -203 25 C ATOM 842 O ASP A 49 -2.219 -5.829 -32.614 1.00 13.26 O ANISOU 842 O ASP A 49 1835 1836 1368 268 -134 29 O ATOM 843 CB ASP A 49 -0.998 -8.317 -33.301 1.00 12.33 C ANISOU 843 CB ASP A 49 1865 1551 1269 65 -189 5 C ATOM 844 CG ASP A 49 -0.558 -8.488 -31.856 1.00 14.43 C ANISOU 844 CG ASP A 49 2605 1561 1318 -99 -332 -76 C ATOM 845 OD1 ASP A 49 0.233 -7.652 -31.359 1.00 14.73 O ANISOU 845 OD1 ASP A 49 2519 1780 1298 -41 -456 -83 O ATOM 846 OD2 ASP A 49 -1.010 -9.481 -31.201 1.00 17.48 O ANISOU 846 OD2 ASP A 49 3542 1670 1431 3 -373 -48 O ATOM 847 H ASP A 49 1.315 -6.783 -33.628 1.00 13.85 H ATOM 848 HA ASP A 49 -1.125 -6.895 -34.765 1.00 14.33 H ATOM 849 HB2 ASP A 49 -1.963 -8.408 -33.328 1.00 14.77 H ATOM 850 HB3 ASP A 49 -0.589 -9.028 -33.819 1.00 14.77 H ATOM 851 N ARG A 50 -0.213 -4.792 -32.907 1.00 12.93 N ANISOU 851 N ARG A 50 2243 1543 1128 -23 -307 87 N ATOM 852 CA ARG A 50 -0.531 -3.557 -32.188 1.00 15.69 C ANISOU 852 CA ARG A 50 2865 1708 1389 284 -390 -15 C ATOM 853 C ARG A 50 -0.705 -3.718 -30.673 1.00 14.08 C ANISOU 853 C ARG A 50 2561 1472 1316 216 -308 97 C ATOM 854 O ARG A 50 -1.182 -2.800 -29.992 1.00 16.00 O ANISOU 854 O ARG A 50 2725 1561 1795 492 -194 197 O ATOM 855 CB ARG A 50 -1.788 -2.899 -32.788 1.00 18.74 C ANISOU 855 CB ARG A 50 3391 2152 1576 606 -527 -18 C ATOM 856 CG ARG A 50 -1.572 -2.358 -34.220 1.00 21.17 C ANISOU 856 CG ARG A 50 3597 2501 1946 681 -362 19 C ATOM 857 CD ARG A 50 -2.728 -1.510 -34.636 1.00 22.83 C ANISOU 857 CD ARG A 50 3676 2844 2155 263 -315 157 C ATOM 858 NE ARG A 50 -2.700 -1.186 -36.046 1.00 22.35 N ANISOU 858 NE ARG A 50 3556 2757 2181 -264 150 97 N ATOM 859 CZ ARG A 50 -1.997 -0.187 -36.564 1.00 21.11 C ANISOU 859 CZ ARG A 50 3411 2610 2001 -377 -180 90 C ATOM 860 NH1 ARG A 50 -1.206 0.571 -35.848 1.00 22.65 N ANISOU 860 NH1 ARG A 50 3573 2741 2290 -700 -505 80 N ATOM 861 NH2 ARG A 50 -2.049 0.047 -37.843 1.00 20.05 N ANISOU 861 NH2 ARG A 50 3433 2386 1801 -211 -378 69 N ATOM 862 H ARG A 50 0.587 -4.799 -33.222 1.00 15.49 H ATOM 863 HA ARG A 50 0.211 -2.931 -32.324 1.00 18.80 H ATOM 864 HB2 ARG A 50 -2.501 -3.556 -32.822 1.00 22.46 H ATOM 865 HB3 ARG A 50 -2.052 -2.154 -32.225 1.00 22.46 H ATOM 866 HG2 ARG A 50 -0.769 -1.814 -34.243 1.00 25.38 H ATOM 867 HG3 ARG A 50 -1.497 -3.101 -34.839 1.00 25.38 H ATOM 868 HD2 ARG A 50 -3.552 -1.988 -34.454 1.00 27.37 H ATOM 869 HD3 ARG A 50 -2.707 -0.680 -34.136 1.00 27.37 H ATOM 870 HE ARG A 50 -3.219 -1.627 -36.571 1.00 26.80 H ATOM 871 HH11 ARG A 50 -1.147 0.450 -34.999 1.00 27.15 H ATOM 872 HH12 ARG A 50 -0.759 1.203 -36.224 1.00 27.15 H ATOM 873 HH21 ARG A 50 -2.548 -0.438 -38.348 1.00 24.04 H ATOM 874 HH22 ARG A 50 -1.580 0.682 -38.184 1.00 24.04 H ATOM 875 N SER A 51 -0.294 -4.844 -30.143 1.00 12.82 N ANISOU 875 N SER A 51 2352 1311 1208 119 -483 -76 N ATOM 876 CA SER A 51 -0.435 -5.097 -28.735 1.00 12.59 C ANISOU 876 CA SER A 51 2406 1367 1010 239 -409 13 C ATOM 877 C SER A 51 0.891 -4.767 -28.069 1.00 10.88 C ANISOU 877 C SER A 51 1915 1212 1007 125 -255 50 C ATOM 878 O SER A 51 1.963 -4.680 -28.629 1.00 11.68 O ANISOU 878 O SER A 51 1909 1523 1005 64 -93 -29 O ATOM 879 CB SER A 51 -0.841 -6.544 -28.500 1.00 13.81 C ANISOU 879 CB SER A 51 2778 1442 1027 290 -490 -161 C ATOM 880 OG SER A 51 0.214 -7.461 -28.737 1.00 14.92 O ANISOU 880 OG SER A 51 2945 1414 1311 255 -227 -119 O ATOM 881 H SER A 51 0.073 -5.486 -30.582 1.00 15.36 H ATOM 882 HA SER A 51 -1.128 -4.512 -28.362 1.00 15.08 H ATOM 883 HB2 SER A 51 -1.130 -6.638 -27.579 1.00 16.55 H ATOM 884 HB3 SER A 51 -1.576 -6.758 -29.095 1.00 16.55 H ATOM 885 HG SER A 51 0.890 -7.058 -28.968 1.00 17.88 H ATOM 886 N THR A 52 0.825 -4.687 -26.727 1.00 10.39 N ANISOU 886 N THR A 52 1537 1284 1128 270 -115 58 N ATOM 887 CA THR A 52 1.967 -4.455 -25.855 1.00 10.61 C ANISOU 887 CA THR A 52 1608 1290 1132 31 -8 131 C ATOM 888 C THR A 52 1.966 -5.453 -24.684 1.00 9.22 C ANISOU 888 C THR A 52 1221 1210 1072 -62 -145 -228 C ATOM 889 O THR A 52 0.909 -5.766 -24.199 1.00 10.23 O ANISOU 889 O THR A 52 1472 1175 1239 148 -20 -79 O ATOM 890 CB THR A 52 2.009 -3.016 -25.358 1.00 11.12 C ANISOU 890 CB THR A 52 1921 1296 1008 272 -24 97 C ATOM 891 OG1 THR A 52 2.049 -2.137 -26.465 1.00 11.45 O ANISOU 891 OG1 THR A 52 2028 1292 1031 171 -126 6 O ATOM 892 CG2 THR A 52 3.199 -2.737 -24.445 1.00 10.49 C ANISOU 892 CG2 THR A 52 1577 1472 935 399 -403 -137 C ATOM 893 H THR A 52 0.089 -4.770 -26.290 1.00 12.45 H ATOM 894 HA THR A 52 2.786 -4.610 -26.371 1.00 12.70 H ATOM 895 HB THR A 52 1.201 -2.839 -24.851 1.00 13.32 H ATOM 896 HG1 THR A 52 1.382 -2.242 -26.931 1.00 13.72 H ATOM 897 HG21 THR A 52 3.184 -1.822 -24.157 1.00 12.56 H ATOM 898 HG22 THR A 52 3.160 -3.307 -23.673 1.00 12.56 H ATOM 899 HG23 THR A 52 4.019 -2.903 -24.915 1.00 12.56 H ATOM 900 N ASP A 53 3.148 -5.942 -24.396 1.00 9.74 N ANISOU 900 N ASP A 53 1355 1180 1166 91 104 -89 N ATOM 901 CA ASP A 53 3.318 -6.800 -23.209 1.00 9.62 C ANISOU 901 CA ASP A 53 1474 1206 973 134 -120 -67 C ATOM 902 C ASP A 53 3.830 -5.942 -22.055 1.00 9.57 C ANISOU 902 C ASP A 53 1506 1129 1000 -47 -81 -68 C ATOM 903 O ASP A 53 4.759 -5.165 -22.211 1.00 10.35 O ANISOU 903 O ASP A 53 1622 1324 987 -81 -182 -30 O ATOM 904 CB ASP A 53 4.343 -7.863 -23.507 1.00 10.48 C ANISOU 904 CB ASP A 53 1576 1346 1060 182 -21 -43 C ATOM 905 CG ASP A 53 4.018 -8.695 -24.713 1.00 14.82 C ANISOU 905 CG ASP A 53 2237 1728 1668 433 106 -140 C ATOM 906 OD1 ASP A 53 2.874 -9.108 -24.798 1.00 17.03 O ANISOU 906 OD1 ASP A 53 2381 1949 2142 343 -183 -391 O ATOM 907 OD2 ASP A 53 4.899 -8.888 -25.549 1.00 20.81 O ANISOU 907 OD2 ASP A 53 3410 2395 2100 264 299 -661 O ATOM 908 H ASP A 53 3.865 -5.806 -24.851 1.00 11.66 H ATOM 909 HA ASP A 53 2.469 -7.220 -22.959 1.00 11.52 H ATOM 910 HB2 ASP A 53 5.199 -7.436 -23.664 1.00 12.55 H ATOM 911 HB3 ASP A 53 4.406 -8.458 -22.745 1.00 12.55 H ATOM 912 N TYR A 54 3.254 -6.136 -20.847 1.00 8.84 N ANISOU 912 N TYR A 54 1489 1055 817 70 -182 81 N ATOM 913 CA TYR A 54 3.491 -5.232 -19.738 1.00 8.70 C ANISOU 913 CA TYR A 54 1279 1062 963 -52 -67 26 C ATOM 914 C TYR A 54 3.964 -5.942 -18.488 1.00 8.82 C ANISOU 914 C TYR A 54 1538 854 961 -12 -142 -8 C ATOM 915 O TYR A 54 3.391 -6.938 -18.030 1.00 9.00 O ANISOU 915 O TYR A 54 1489 1037 891 -48 78 -6 O ATOM 916 CB TYR A 54 2.194 -4.523 -19.335 1.00 9.35 C ANISOU 916 CB TYR A 54 1607 1175 769 -37 83 3 C ATOM 917 CG TYR A 54 1.687 -3.514 -20.315 1.00 9.59 C ANISOU 917 CG TYR A 54 1494 1038 1112 223 8 34 C ATOM 918 CD1 TYR A 54 0.863 -3.868 -21.367 1.00 10.31 C ANISOU 918 CD1 TYR A 54 1555 966 1394 42 -125 -143 C ATOM 919 CD2 TYR A 54 2.061 -2.189 -20.242 1.00 9.29 C ANISOU 919 CD2 TYR A 54 1497 1140 891 138 -83 78 C ATOM 920 CE1 TYR A 54 0.425 -2.953 -22.265 1.00 9.67 C ANISOU 920 CE1 TYR A 54 1137 1263 1276 39 -34 -49 C ATOM 921 CE2 TYR A 54 1.633 -1.251 -21.143 1.00 10.54 C ANISOU 921 CE2 TYR A 54 1560 1260 1184 115 125 -108 C ATOM 922 CZ TYR A 54 0.784 -1.618 -22.149 1.00 10.18 C ANISOU 922 CZ TYR A 54 1311 1448 1110 248 -133 -76 C ATOM 923 OH TYR A 54 0.364 -0.666 -23.041 1.00 10.44 O ANISOU 923 OH TYR A 54 1468 1339 1159 407 -51 97 O ATOM 924 H TYR A 54 2.726 -6.788 -20.661 1.00 10.59 H ATOM 925 HA TYR A 54 4.156 -4.559 -19.993 1.00 10.41 H ATOM 926 HB2 TYR A 54 1.500 -5.191 -19.220 1.00 11.19 H ATOM 927 HB3 TYR A 54 2.344 -4.062 -18.494 1.00 11.19 H ATOM 928 HD1 TYR A 54 0.593 -4.754 -21.454 1.00 12.34 H ATOM 929 HD2 TYR A 54 2.623 -1.921 -19.551 1.00 11.12 H ATOM 930 HE1 TYR A 54 -0.144 -3.219 -22.951 1.00 11.58 H ATOM 931 HE2 TYR A 54 1.890 -0.362 -21.049 1.00 12.62 H ATOM 932 HH TYR A 54 -0.455 -0.628 -23.045 1.00 12.50 H ATOM 933 N GLY A 55 5.046 -5.405 -17.899 1.00 10.35 N ANISOU 933 N GLY A 55 1746 975 1213 -113 -231 27 N ATOM 934 CA GLY A 55 5.466 -5.740 -16.542 1.00 10.44 C ANISOU 934 CA GLY A 55 1826 1113 1028 -364 -164 69 C ATOM 935 C GLY A 55 6.283 -6.966 -16.404 1.00 9.75 C ANISOU 935 C GLY A 55 1621 1135 949 -361 -147 3 C ATOM 936 O GLY A 55 6.824 -7.522 -17.372 1.00 9.19 O ANISOU 936 O GLY A 55 1454 1107 929 -113 -112 88 O ATOM 937 H GLY A 55 5.560 -4.831 -18.282 1.00 12.40 H ATOM 938 HA2 GLY A 55 5.980 -5.000 -16.184 1.00 12.50 H ATOM 939 HA3 GLY A 55 4.676 -5.847 -15.989 1.00 12.50 H ATOM 940 N ILE A 56 6.362 -7.416 -15.176 1.00 8.86 N ANISOU 940 N ILE A 56 1599 900 868 -97 -86 38 N ATOM 941 CA ILE A 56 7.277 -8.464 -14.833 1.00 9.28 C ANISOU 941 CA ILE A 56 1571 959 994 -117 11 3 C ATOM 942 C ILE A 56 6.973 -9.815 -15.508 1.00 9.11 C ANISOU 942 C ILE A 56 1167 1163 1131 34 -70 170 C ATOM 943 O ILE A 56 7.889 -10.579 -15.773 1.00 9.47 O ANISOU 943 O ILE A 56 1227 1172 1199 1 -83 84 O ATOM 944 CB ILE A 56 7.364 -8.557 -13.298 1.00 9.85 C ANISOU 944 CB ILE A 56 1456 1161 1126 -41 -201 29 C ATOM 945 CG1 ILE A 56 8.639 -9.254 -12.875 1.00 11.01 C ANISOU 945 CG1 ILE A 56 1567 1393 1222 -73 -48 94 C ATOM 946 CG2 ILE A 56 6.097 -9.127 -12.716 1.00 11.16 C ANISOU 946 CG2 ILE A 56 1693 1235 1313 -120 -312 -80 C ATOM 947 CD1 ILE A 56 8.972 -9.050 -11.385 1.00 12.22 C ANISOU 947 CD1 ILE A 56 1701 1663 1281 -138 -219 254 C ATOM 948 H ILE A 56 5.891 -7.127 -14.517 1.00 10.61 H ATOM 949 HA ILE A 56 8.165 -8.193 -15.146 1.00 11.11 H ATOM 950 HB ILE A 56 7.429 -7.646 -12.970 1.00 11.79 H ATOM 951 HG12 ILE A 56 8.544 -10.206 -13.032 1.00 13.18 H ATOM 952 HG13 ILE A 56 9.377 -8.904 -13.397 1.00 13.18 H ATOM 953 HG21 ILE A 56 6.184 -9.171 -11.761 1.00 13.37 H ATOM 954 HG22 ILE A 56 5.361 -8.557 -12.952 1.00 13.37 H ATOM 955 HG23 ILE A 56 5.957 -10.007 -13.074 1.00 13.37 H ATOM 956 HD11 ILE A 56 9.787 -9.515 -11.181 1.00 14.64 H ATOM 957 HD12 ILE A 56 9.078 -8.112 -11.214 1.00 14.64 H ATOM 958 HD13 ILE A 56 8.254 -9.401 -10.853 1.00 14.64 H ATOM 959 N PHE A 57 5.699 -10.020 -15.765 1.00 8.49 N ANISOU 959 N PHE A 57 991 994 1242 -33 -122 31 N ATOM 960 CA PHE A 57 5.316 -11.208 -16.505 1.00 9.79 C ANISOU 960 CA PHE A 57 1485 1057 1178 2 -144 12 C ATOM 961 C PHE A 57 4.959 -10.959 -17.963 1.00 10.53 C ANISOU 961 C PHE A 57 1697 1113 1192 -127 -242 -92 C ATOM 962 O PHE A 57 4.456 -11.868 -18.650 1.00 12.21 O ANISOU 962 O PHE A 57 2091 1225 1324 -153 -299 27 O ATOM 963 CB PHE A 57 4.134 -11.910 -15.838 1.00 11.48 C ANISOU 963 CB PHE A 57 1555 1381 1426 -234 -191 -129 C ATOM 964 CG PHE A 57 4.422 -12.408 -14.425 1.00 11.68 C ANISOU 964 CG PHE A 57 1416 1647 1373 -299 -42 -117 C ATOM 965 CD1 PHE A 57 5.470 -13.319 -14.170 1.00 13.51 C ANISOU 965 CD1 PHE A 57 1788 1973 1371 -232 -3 195 C ATOM 966 CD2 PHE A 57 3.682 -11.974 -13.351 1.00 13.71 C ANISOU 966 CD2 PHE A 57 1617 2035 1556 -633 247 -268 C ATOM 967 CE1 PHE A 57 5.685 -13.810 -12.880 1.00 15.34 C ANISOU 967 CE1 PHE A 57 1821 2319 1689 -554 -296 341 C ATOM 968 CE2 PHE A 57 3.911 -12.462 -12.055 1.00 15.84 C ANISOU 968 CE2 PHE A 57 1854 2526 1637 -922 193 -3 C ATOM 969 CZ PHE A 57 4.926 -13.317 -11.836 1.00 15.88 C ANISOU 969 CZ PHE A 57 1907 2558 1570 -917 -142 421 C ATOM 970 H PHE A 57 5.050 -9.505 -15.531 1.00 10.16 H ATOM 971 HA PHE A 57 6.071 -11.832 -16.493 1.00 11.72 H ATOM 972 HB2 PHE A 57 3.391 -11.288 -15.786 1.00 13.75 H ATOM 973 HB3 PHE A 57 3.883 -12.677 -16.376 1.00 13.75 H ATOM 974 HD1 PHE A 57 5.982 -13.641 -14.876 1.00 16.18 H ATOM 975 HD2 PHE A 57 2.984 -11.376 -13.493 1.00 16.42 H ATOM 976 HE1 PHE A 57 6.382 -14.402 -12.714 1.00 18.38 H ATOM 977 HE2 PHE A 57 3.402 -12.148 -11.342 1.00 18.98 H ATOM 978 HZ PHE A 57 5.076 -13.635 -10.975 1.00 19.04 H ATOM 979 N GLN A 58 5.097 -9.736 -18.453 1.00 9.35 N ANISOU 979 N GLN A 58 1565 947 1039 -72 -203 -57 N ATOM 980 CA GLN A 58 4.861 -9.422 -19.868 1.00 9.08 C ANISOU 980 CA GLN A 58 1238 1157 1054 215 8 29 C ATOM 981 C GLN A 58 3.473 -9.853 -20.271 1.00 9.57 C ANISOU 981 C GLN A 58 1253 1176 1208 65 -47 75 C ATOM 982 O GLN A 58 3.294 -10.551 -21.295 1.00 11.87 O ANISOU 982 O GLN A 58 1665 1430 1417 -40 -159 -203 O ATOM 983 CB GLN A 58 5.981 -9.963 -20.767 1.00 10.99 C ANISOU 983 CB GLN A 58 1557 1335 1283 339 -90 163 C ATOM 984 CG GLN A 58 7.334 -9.271 -20.560 1.00 10.52 C ANISOU 984 CG GLN A 58 1261 1533 1201 166 -98 80 C ATOM 985 CD GLN A 58 7.293 -7.844 -21.051 1.00 10.18 C ANISOU 985 CD GLN A 58 1222 1461 1184 55 -181 9 C ATOM 986 OE1 GLN A 58 7.481 -7.632 -22.267 1.00 11.07 O ANISOU 986 OE1 GLN A 58 1691 1433 1082 135 8 -41 O ATOM 987 NE2 GLN A 58 7.013 -6.881 -20.202 1.00 9.45 N ANISOU 987 NE2 GLN A 58 1358 1141 1092 53 -100 -101 N ATOM 988 H GLN A 58 5.330 -9.055 -17.984 1.00 11.19 H ATOM 989 HA GLN A 58 4.883 -8.447 -19.958 1.00 10.87 H ATOM 990 HB2 GLN A 58 6.101 -10.908 -20.583 1.00 13.16 H ATOM 991 HB3 GLN A 58 5.724 -9.839 -21.694 1.00 13.16 H ATOM 992 HG2 GLN A 58 7.549 -9.263 -19.615 1.00 12.59 H ATOM 993 HG3 GLN A 58 8.017 -9.746 -21.058 1.00 12.59 H ATOM 994 HE21 GLN A 58 6.856 -7.067 -19.377 1.00 11.32 H ATOM 995 HE22 GLN A 58 6.987 -6.065 -20.471 1.00 11.32 H ATOM 996 N ILE A 59 2.475 -9.385 -19.591 1.00 9.55 N ANISOU 996 N ILE A 59 1301 1243 1085 -121 -12 134 N ATOM 997 CA AILE A 59 1.103 -9.665 -19.843 0.70 10.32 C ANISOU 997 CA AILE A 59 1320 1254 1347 103 -41 37 C ATOM 998 CA BILE A 59 1.068 -9.627 -19.860 0.30 9.98 C ANISOU 998 CA BILE A 59 1313 1348 1130 -159 -129 109 C ATOM 999 C ILE A 59 0.587 -8.783 -21.000 1.00 10.56 C ANISOU 999 C ILE A 59 1504 1234 1274 34 -118 -96 C ATOM 1000 O ILE A 59 0.821 -7.596 -21.057 1.00 10.20 O ANISOU 1000 O ILE A 59 1376 1252 1247 -50 -27 -20 O ATOM 1001 CB AILE A 59 0.384 -9.604 -18.493 0.70 12.81 C ANISOU 1001 CB AILE A 59 1636 1734 1498 -127 -171 -25 C ATOM 1002 CB BILE A 59 0.201 -9.217 -18.640 0.30 10.42 C ANISOU 1002 CB BILE A 59 1261 1698 1000 -540 -379 231 C ATOM 1003 CG1AILE A 59 0.713 -10.874 -17.590 0.70 13.54 C ANISOU 1003 CG1AILE A 59 1774 1704 1667 99 -147 -116 C ATOM 1004 CG1BILE A 59 0.633 -10.002 -17.406 0.30 10.79 C ANISOU 1004 CG1BILE A 59 1229 1822 1050 -457 -536 296 C ATOM 1005 CG2AILE A 59 -1.046 -9.394 -18.683 0.70 13.22 C ANISOU 1005 CG2AILE A 59 1814 1990 1218 -46 -183 21 C ATOM 1006 CG2BILE A 59 -1.267 -9.466 -18.878 0.30 11.37 C ANISOU 1006 CG2BILE A 59 1475 1755 1091 -567 -225 128 C ATOM 1007 CD1AILE A 59 0.467 -10.735 -16.152 0.70 13.39 C ANISOU 1007 CD1AILE A 59 1400 2043 1646 391 -59 144 C ATOM 1008 CD1BILE A 59 0.686 -11.504 -17.680 0.30 11.17 C ANISOU 1008 CD1BILE A 59 1151 1795 1299 -473 -593 379 C ATOM 1009 H ILE A 59 2.594 -8.867 -18.914 1.00 11.44 H ATOM 1010 HA ILE A 59 0.974 -10.584 -20.112 0.30 11.95 H ATOM 1011 HB AILE A 59 0.726 -8.827 -18.024 0.70 15.35 H ATOM 1012 HB BILE A 59 0.333 -8.271 -18.469 0.30 12.48 H ATOM 1013 HG12AILE A 59 0.174 -11.617 -17.903 0.70 16.22 H ATOM 1014 HG12BILE A 59 1.518 -9.711 -17.136 0.30 12.93 H ATOM 1015 HG13AILE A 59 1.652 -11.090 -17.701 0.70 16.22 H ATOM 1016 HG13BILE A 59 -0.004 -9.847 -16.690 0.30 12.93 H ATOM 1017 HG21AILE A 59 -1.473 -9.359 -17.824 0.70 15.83 H ATOM 1018 HG21BILE A 59 -1.760 -9.198 -18.099 0.30 13.62 H ATOM 1019 HG22AILE A 59 -1.180 -8.565 -19.149 0.70 15.83 H ATOM 1020 HG22BILE A 59 -1.551 -8.952 -19.638 0.30 13.62 H ATOM 1021 HG23AILE A 59 -1.403 -10.121 -19.197 0.70 15.83 H ATOM 1022 HG23BILE A 59 -1.402 -10.401 -19.046 0.30 13.62 H ATOM 1023 HD11AILE A 59 1.007 -10.017 -15.811 0.70 16.05 H ATOM 1024 HD11BILE A 59 -0.187 -11.804 -17.944 0.30 13.38 H ATOM 1025 HD12AILE A 59 -0.462 -10.541 -16.011 0.70 16.05 H ATOM 1026 HD12BILE A 59 1.317 -11.670 -18.384 0.30 13.38 H ATOM 1027 HD13AILE A 59 0.701 -11.557 -15.714 0.70 16.05 H ATOM 1028 HD13BILE A 59 0.961 -11.957 -16.880 0.30 13.38 H ATOM 1029 N ASN A 60 -0.087 -9.443 -21.917 1.00 10.75 N ANISOU 1029 N ASN A 60 1717 1180 1187 27 -148 42 N ATOM 1030 CA ASN A 60 -0.415 -8.838 -23.204 1.00 11.27 C ANISOU 1030 CA ASN A 60 1494 1413 1375 -117 -330 -22 C ATOM 1031 C ASN A 60 -1.750 -8.126 -23.265 1.00 11.12 C ANISOU 1031 C ASN A 60 1505 1257 1464 -195 -175 -101 C ATOM 1032 O ASN A 60 -2.789 -8.565 -22.789 1.00 12.32 O ANISOU 1032 O ASN A 60 1384 1457 1840 -26 -293 202 O ATOM 1033 CB ASN A 60 -0.389 -9.989 -24.270 1.00 12.63 C ANISOU 1033 CB ASN A 60 2164 1314 1323 188 -622 -145 C ATOM 1034 CG ASN A 60 -0.515 -9.420 -25.671 1.00 12.79 C ANISOU 1034 CG ASN A 60 1879 1456 1526 316 -562 -172 C ATOM 1035 OD1 ASN A 60 -1.604 -9.360 -26.207 1.00 12.99 O ANISOU 1035 OD1 ASN A 60 1859 1599 1477 291 -487 -119 O ATOM 1036 ND2 ASN A 60 0.587 -8.903 -26.196 1.00 14.71 N ANISOU 1036 ND2 ASN A 60 2007 1840 1744 244 -567 29 N ATOM 1037 H ASN A 60 -0.372 -10.249 -21.826 1.00 12.87 H ATOM 1038 HA ASN A 60 0.283 -8.191 -23.438 1.00 13.50 H ATOM 1039 HB2 ASN A 60 0.453 -10.468 -24.208 1.00 15.14 H ATOM 1040 HB3 ASN A 60 -1.134 -10.591 -24.114 1.00 15.14 H ATOM 1041 HD21 ASN A 60 1.319 -8.903 -25.744 1.00 17.63 H ATOM 1042 HD22 ASN A 60 0.570 -8.567 -26.987 1.00 17.63 H ATOM 1043 N SER A 61 -1.737 -6.949 -23.910 1.00 10.09 N ANISOU 1043 N SER A 61 1378 1204 1252 88 -387 -89 N ATOM 1044 CA SER A 61 -2.891 -6.060 -24.002 1.00 11.42 C ANISOU 1044 CA SER A 61 1708 1286 1344 138 -431 -148 C ATOM 1045 C SER A 61 -4.002 -6.446 -24.974 1.00 11.58 C ANISOU 1045 C SER A 61 1558 1320 1522 308 -284 -222 C ATOM 1046 O SER A 61 -5.053 -5.854 -24.981 1.00 11.75 O ANISOU 1046 O SER A 61 1310 1387 1769 205 -393 -257 O ATOM 1047 CB SER A 61 -2.412 -4.679 -24.379 1.00 11.38 C ANISOU 1047 CB SER A 61 1909 1118 1296 81 -468 -31 C ATOM 1048 OG SER A 61 -1.885 -4.671 -25.670 1.00 11.89 O ANISOU 1048 OG SER A 61 2208 1273 1036 132 -316 -19 O ATOM 1049 H SER A 61 -1.043 -6.641 -24.314 1.00 12.08 H ATOM 1050 HA SER A 61 -3.297 -5.995 -23.112 1.00 13.68 H ATOM 1051 HB2 SER A 61 -3.160 -4.063 -24.340 1.00 13.63 H ATOM 1052 HB3 SER A 61 -1.722 -4.403 -23.755 1.00 13.63 H ATOM 1053 HG SER A 61 -1.629 -3.916 -25.863 1.00 14.24 H ATOM 1054 N ARG A 62 -3.743 -7.465 -25.802 1.00 11.73 N ANISOU 1054 N ARG A 62 1339 1483 1634 272 -526 -220 N ATOM 1055 CA ARG A 62 -4.764 -7.943 -26.752 1.00 13.16 C ANISOU 1055 CA ARG A 62 1585 1631 1783 85 -495 -182 C ATOM 1056 C ARG A 62 -5.724 -8.897 -26.033 1.00 13.11 C ANISOU 1056 C ARG A 62 1406 1637 1939 -128 -584 14 C ATOM 1057 O ARG A 62 -6.853 -9.073 -26.446 1.00 14.16 O ANISOU 1057 O ARG A 62 1554 1708 2120 1 -471 199 O ATOM 1058 CB ARG A 62 -4.096 -8.585 -27.993 1.00 13.47 C ANISOU 1058 CB ARG A 62 1787 1615 1716 -106 -680 -318 C ATOM 1059 CG ARG A 62 -5.011 -9.058 -29.086 1.00 14.45 C ANISOU 1059 CG ARG A 62 2241 1570 1679 -49 -300 -110 C ATOM 1060 CD ARG A 62 -4.176 -9.515 -30.293 1.00 14.39 C ANISOU 1060 CD ARG A 62 2104 1689 1674 -146 -380 -144 C ATOM 1061 NE ARG A 62 -4.984 -10.044 -31.389 1.00 16.54 N ANISOU 1061 NE ARG A 62 2408 1916 1959 -83 -578 -282 N ATOM 1062 CZ ARG A 62 -4.488 -10.761 -32.405 1.00 17.12 C ANISOU 1062 CZ ARG A 62 2653 1925 1927 -412 -520 -396 C ATOM 1063 NH1 ARG A 62 -3.181 -10.945 -32.476 1.00 15.99 N ANISOU 1063 NH1 ARG A 62 2305 1916 1853 -438 -93 -305 N ATOM 1064 NH2 ARG A 62 -5.270 -11.272 -33.342 1.00 19.57 N ANISOU 1064 NH2 ARG A 62 3257 2053 2125 -328 -581 -592 N ATOM 1065 H ARG A 62 -2.997 -7.891 -25.837 1.00 14.05 H ATOM 1066 HA ARG A 62 -5.287 -7.175 -27.062 1.00 15.76 H ATOM 1067 HB2 ARG A 62 -3.495 -7.932 -28.384 1.00 16.14 H ATOM 1068 HB3 ARG A 62 -3.584 -9.354 -27.696 1.00 16.14 H ATOM 1069 HG2 ARG A 62 -5.536 -9.810 -28.770 1.00 17.31 H ATOM 1070 HG3 ARG A 62 -5.588 -8.331 -29.366 1.00 17.31 H ATOM 1071 HD2 ARG A 62 -3.673 -8.758 -30.632 1.00 17.24 H ATOM 1072 HD3 ARG A 62 -3.567 -10.214 -30.007 1.00 17.24 H ATOM 1073 HE ARG A 62 -5.814 -9.819 -31.422 1.00 19.82 H ATOM 1074 HH11 ARG A 62 -2.668 -10.631 -31.861 1.00 19.16 H ATOM 1075 HH12 ARG A 62 -2.845 -11.394 -33.128 1.00 19.16 H ATOM 1076 HH21 ARG A 62 -6.119 -11.140 -33.312 1.00 23.46 H ATOM 1077 HH22 ARG A 62 -4.925 -11.702 -34.003 1.00 23.46 H ATOM 1078 N TYR A 63 -5.265 -9.551 -24.959 1.00 14.50 N ANISOU 1078 N TYR A 63 1591 1736 2182 -235 -591 -18 N ATOM 1079 CA TYR A 63 -5.956 -10.685 -24.370 1.00 15.01 C ANISOU 1079 CA TYR A 63 1574 1748 2381 -108 -489 187 C ATOM 1080 C TYR A 63 -6.180 -10.559 -22.874 1.00 13.47 C ANISOU 1080 C TYR A 63 1015 1711 2393 -205 -380 354 C ATOM 1081 O TYR A 63 -7.126 -11.138 -22.366 1.00 15.02 O ANISOU 1081 O TYR A 63 1311 2005 2391 -455 -375 153 O ATOM 1082 CB TYR A 63 -5.170 -11.989 -24.633 1.00 15.94 C ANISOU 1082 CB TYR A 63 1909 1623 2523 -151 -276 303 C ATOM 1083 CG TYR A 63 -5.147 -12.343 -26.096 1.00 16.05 C ANISOU 1083 CG TYR A 63 2064 1590 2445 10 -314 -4 C ATOM 1084 CD1 TYR A 63 -6.301 -12.729 -26.746 1.00 18.43 C ANISOU 1084 CD1 TYR A 63 2250 1977 2776 58 -343 -152 C ATOM 1085 CD2 TYR A 63 -3.995 -12.246 -26.856 1.00 16.96 C ANISOU 1085 CD2 TYR A 63 2192 1662 2592 105 -215 8 C ATOM 1086 CE1 TYR A 63 -6.304 -13.020 -28.146 1.00 20.51 C ANISOU 1086 CE1 TYR A 63 2890 2092 2810 202 -485 -93 C ATOM 1087 CE2 TYR A 63 -4.004 -12.535 -28.236 1.00 18.75 C ANISOU 1087 CE2 TYR A 63 2731 1715 2679 345 -210 -44 C ATOM 1088 CZ TYR A 63 -5.154 -12.918 -28.861 1.00 20.66 C ANISOU 1088 CZ TYR A 63 3170 2011 2669 242 -438 -63 C ATOM 1089 OH TYR A 63 -5.151 -13.223 -30.228 1.00 23.27 O ANISOU 1089 OH TYR A 63 3807 2210 2824 133 -525 -225 O ATOM 1090 H TYR A 63 -4.537 -9.345 -24.551 1.00 17.37 H ATOM 1091 HA TYR A 63 -6.834 -10.774 -24.797 1.00 17.98 H ATOM 1092 HB2 TYR A 63 -4.254 -11.875 -24.334 1.00 19.10 H ATOM 1093 HB3 TYR A 63 -5.592 -12.718 -24.151 1.00 19.10 H ATOM 1094 HD1 TYR A 63 -7.096 -12.790 -26.267 1.00 22.09 H ATOM 1095 HD2 TYR A 63 -3.202 -11.976 -26.451 1.00 20.33 H ATOM 1096 HE1 TYR A 63 -7.091 -13.287 -28.565 1.00 24.58 H ATOM 1097 HE2 TYR A 63 -3.215 -12.471 -28.725 1.00 22.48 H ATOM 1098 HH TYR A 63 -4.629 -13.838 -30.376 1.00 27.89 H ATOM 1099 N ARG A 64 -5.296 -9.820 -22.179 1.00 13.44 N ANISOU 1099 N ARG A 64 1322 1464 2319 -208 -512 444 N ATOM 1100 CA ARG A 64 -5.294 -9.952 -20.727 1.00 13.11 C ANISOU 1100 CA ARG A 64 1220 1530 2230 -247 -374 253 C ATOM 1101 C ARG A 64 -5.507 -8.671 -19.949 1.00 13.77 C ANISOU 1101 C ARG A 64 1564 1633 2036 -36 -328 448 C ATOM 1102 O ARG A 64 -6.025 -8.736 -18.851 1.00 15.80 O ANISOU 1102 O ARG A 64 2096 1648 2258 -89 -2 319 O ATOM 1103 CB ARG A 64 -3.986 -10.590 -20.246 1.00 14.17 C ANISOU 1103 CB ARG A 64 1553 1415 2418 -226 -536 242 C ATOM 1104 CG ARG A 64 -3.631 -11.893 -20.881 1.00 16.49 C ANISOU 1104 CG ARG A 64 1876 1832 2559 -27 -619 159 C ATOM 1105 CD ARG A 64 -4.618 -12.922 -20.577 1.00 18.47 C ANISOU 1105 CD ARG A 64 2447 1860 2711 130 -949 198 C ATOM 1106 NE ARG A 64 -4.177 -14.198 -21.173 1.00 22.00 N ANISOU 1106 NE ARG A 64 3345 2102 2911 -95 -1109 16 N ATOM 1107 CZ ARG A 64 -4.841 -15.337 -21.055 1.00 24.00 C ANISOU 1107 CZ ARG A 64 3279 2409 3431 72 -1223 -31 C ATOM 1108 NH1 ARG A 64 -5.953 -15.390 -20.336 1.00 23.84 N ANISOU 1108 NH1 ARG A 64 3152 2443 3464 -24 -1314 212 N ATOM 1109 NH2 ARG A 64 -4.368 -16.444 -21.612 1.00 26.98 N ANISOU 1109 NH2 ARG A 64 3615 2851 3786 -99 -1333 -281 N ATOM 1110 H ARG A 64 -4.723 -9.270 -22.509 1.00 16.10 H ATOM 1111 HA ARG A 64 -6.021 -10.561 -20.479 1.00 15.70 H ATOM 1112 HB2 ARG A 64 -3.260 -9.972 -20.426 1.00 16.98 H ATOM 1113 HB3 ARG A 64 -4.053 -10.741 -19.290 1.00 16.98 H ATOM 1114 HG2 ARG A 64 -3.596 -11.780 -21.844 1.00 19.77 H ATOM 1115 HG3 ARG A 64 -2.770 -12.188 -20.546 1.00 19.77 H ATOM 1116 HD2 ARG A 64 -4.690 -13.034 -19.616 1.00 22.14 H ATOM 1117 HD3 ARG A 64 -5.475 -12.678 -20.960 1.00 22.14 H ATOM 1118 HE ARG A 64 -3.488 -14.185 -21.688 1.00 26.37 H ATOM 1119 HH11 ARG A 64 -6.260 -14.677 -19.967 1.00 28.59 H ATOM 1120 HH12 ARG A 64 -6.378 -16.133 -20.256 1.00 28.59 H ATOM 1121 HH21 ARG A 64 -3.643 -16.417 -22.074 1.00 32.36 H ATOM 1122 HH22 ARG A 64 -4.797 -17.184 -21.529 1.00 32.36 H ATOM 1123 N CYS A 65 -5.002 -7.521 -20.411 1.00 12.75 N ANISOU 1123 N CYS A 65 1405 1437 2002 204 -33 294 N ATOM 1124 CA CYS A 65 -5.161 -6.259 -19.687 1.00 13.02 C ANISOU 1124 CA CYS A 65 1753 1468 1724 214 140 295 C ATOM 1125 C CYS A 65 -5.548 -5.189 -20.711 1.00 12.78 C ANISOU 1125 C CYS A 65 1748 1415 1694 38 -26 140 C ATOM 1126 O CYS A 65 -5.298 -5.342 -21.903 1.00 11.97 O ANISOU 1126 O CYS A 65 1441 1441 1665 280 -147 181 O ATOM 1127 CB CYS A 65 -3.901 -5.868 -18.925 1.00 12.56 C ANISOU 1127 CB CYS A 65 1480 1728 1562 273 158 276 C ATOM 1128 SG CYS A 65 -2.413 -5.479 -19.975 1.00 13.51 S ANISOU 1128 SG CYS A 65 1933 1650 1550 137 -65 217 S ATOM 1129 H CYS A 65 -4.562 -7.448 -21.146 1.00 15.27 H ATOM 1130 HA CYS A 65 -5.894 -6.346 -19.043 1.00 15.59 H ATOM 1131 HB2 CYS A 65 -4.096 -5.080 -18.394 1.00 15.04 H ATOM 1132 HB3 CYS A 65 -3.658 -6.601 -18.338 1.00 15.04 H ATOM 1133 N ASN A 66 -6.174 -4.120 -20.258 1.00 12.52 N ANISOU 1133 N ASN A 66 1611 1465 1680 159 -22 -17 N ATOM 1134 CA ASN A 66 -6.596 -3.032 -21.156 1.00 12.51 C ANISOU 1134 CA ASN A 66 1329 1564 1861 306 -285 41 C ATOM 1135 C ASN A 66 -5.679 -1.848 -21.169 1.00 10.80 C ANISOU 1135 C ASN A 66 1547 1204 1351 265 -291 -13 C ATOM 1136 O ASN A 66 -5.389 -1.281 -20.124 1.00 11.52 O ANISOU 1136 O ASN A 66 1840 1350 1187 175 -152 -22 O ATOM 1137 CB ASN A 66 -7.972 -2.588 -20.776 1.00 16.37 C ANISOU 1137 CB ASN A 66 1862 1712 2646 137 -284 27 C ATOM 1138 CG ASN A 66 -8.469 -1.487 -21.688 1.00 19.42 C ANISOU 1138 CG ASN A 66 2564 1731 3083 257 -229 38 C ATOM 1139 OD1 ASN A 66 -8.539 -1.662 -22.902 1.00 21.77 O ANISOU 1139 OD1 ASN A 66 3046 1962 3266 383 -367 298 O ATOM 1140 ND2 ASN A 66 -8.767 -0.339 -21.130 1.00 21.73 N ANISOU 1140 ND2 ASN A 66 3183 1707 3368 181 -95 63 N ATOM 1141 H ASN A 66 -6.372 -3.988 -19.431 1.00 14.99 H ATOM 1142 HA ASN A 66 -6.640 -3.382 -22.071 1.00 14.99 H ATOM 1143 HB2 ASN A 66 -8.582 -3.339 -20.845 1.00 19.62 H ATOM 1144 HB3 ASN A 66 -7.959 -2.248 -19.867 1.00 19.62 H ATOM 1145 HD21 ASN A 66 -8.677 -0.238 -20.281 1.00 26.06 H ATOM 1146 HD22 ASN A 66 -9.053 0.312 -21.614 1.00 26.06 H ATOM 1147 N ASP A 67 -5.165 -1.508 -22.363 1.00 10.34 N ANISOU 1147 N ASP A 67 1589 1150 1190 195 -237 106 N ATOM 1148 CA ASP A 67 -4.419 -0.286 -22.551 1.00 10.95 C ANISOU 1148 CA ASP A 67 1771 1188 1200 115 -225 33 C ATOM 1149 C ASP A 67 -5.111 0.701 -23.498 1.00 11.32 C ANISOU 1149 C ASP A 67 1888 1144 1268 260 -45 37 C ATOM 1150 O ASP A 67 -4.598 1.749 -23.727 1.00 12.54 O ANISOU 1150 O ASP A 67 2164 1181 1418 181 -184 -1 O ATOM 1151 CB ASP A 67 -2.952 -0.489 -22.958 1.00 11.08 C ANISOU 1151 CB ASP A 67 1782 1227 1200 363 -196 -7 C ATOM 1152 CG ASP A 67 -2.748 -1.091 -24.399 1.00 11.19 C ANISOU 1152 CG ASP A 67 1620 1253 1378 353 -261 -41 C ATOM 1153 OD1 ASP A 67 -3.772 -1.203 -25.135 1.00 12.22 O ANISOU 1153 OD1 ASP A 67 1878 1472 1293 379 -338 -89 O ATOM 1154 OD2 ASP A 67 -1.571 -1.349 -24.713 1.00 10.83 O ANISOU 1154 OD2 ASP A 67 1468 1520 1125 283 -233 19 O ATOM 1155 H ASP A 67 -5.244 -1.983 -23.076 1.00 12.38 H ATOM 1156 HA ASP A 67 -4.391 0.160 -21.679 1.00 13.11 H ATOM 1157 HB2 ASP A 67 -2.501 0.370 -22.932 1.00 13.27 H ATOM 1158 HB3 ASP A 67 -2.535 -1.095 -22.325 1.00 13.27 H ATOM 1159 N GLY A 68 -6.337 0.415 -23.896 1.00 12.02 N ANISOU 1159 N GLY A 68 1951 1317 1301 358 -171 -121 N ATOM 1160 CA GLY A 68 -7.044 1.372 -24.745 1.00 12.58 C ANISOU 1160 CA GLY A 68 2003 1504 1272 540 -27 -194 C ATOM 1161 C GLY A 68 -6.670 1.341 -26.230 1.00 14.26 C ANISOU 1161 C GLY A 68 2243 1855 1319 171 -427 -104 C ATOM 1162 O GLY A 68 -7.519 1.524 -27.103 1.00 17.69 O ANISOU 1162 O GLY A 68 2726 2534 1460 138 -295 52 O ATOM 1163 H GLY A 68 -6.775 -0.299 -23.701 1.00 14.40 H ATOM 1164 HA2 GLY A 68 -7.997 1.205 -24.676 1.00 15.06 H ATOM 1165 HA3 GLY A 68 -6.873 2.267 -24.415 1.00 15.06 H ATOM 1166 N LYS A 69 -5.396 1.272 -26.530 1.00 13.82 N ANISOU 1166 N LYS A 69 2193 1978 1079 368 -243 -102 N ATOM 1167 CA LYS A 69 -4.922 1.494 -27.902 1.00 14.52 C ANISOU 1167 CA LYS A 69 2403 1805 1309 635 -316 -246 C ATOM 1168 C LYS A 69 -4.786 0.200 -28.695 1.00 14.93 C ANISOU 1168 C LYS A 69 2653 1870 1148 208 -416 -246 C ATOM 1169 O LYS A 69 -4.419 0.220 -29.851 1.00 17.79 O ANISOU 1169 O LYS A 69 3631 1904 1226 112 -225 -333 O ATOM 1170 CB LYS A 69 -3.579 2.217 -27.894 1.00 14.61 C ANISOU 1170 CB LYS A 69 2504 1624 1422 595 -194 -447 C ATOM 1171 CG LYS A 69 -2.436 1.510 -27.187 1.00 15.82 C ANISOU 1171 CG LYS A 69 2519 1661 1833 359 -305 -599 C ATOM 1172 CD LYS A 69 -1.164 2.281 -27.315 1.00 18.71 C ANISOU 1172 CD LYS A 69 2751 1861 2495 -22 -118 -737 C ATOM 1173 CE LYS A 69 -0.061 1.709 -26.536 1.00 22.34 C ANISOU 1173 CE LYS A 69 2863 2239 3388 -507 -273 -616 C ATOM 1174 NZ LYS A 69 1.180 2.554 -26.701 1.00 27.31 N ANISOU 1174 NZ LYS A 69 3730 2513 4132 -602 -246 -384 N ATOM 1175 H LYS A 69 -4.771 1.100 -25.965 1.00 16.56 H ATOM 1176 HA LYS A 69 -5.567 2.064 -28.370 1.00 17.40 H ATOM 1177 HB2 LYS A 69 -3.304 2.358 -28.814 1.00 17.50 H ATOM 1178 HB3 LYS A 69 -3.699 3.076 -27.460 1.00 17.50 H ATOM 1179 HG2 LYS A 69 -2.647 1.423 -26.244 1.00 18.96 H ATOM 1180 HG3 LYS A 69 -2.304 0.635 -27.584 1.00 18.96 H ATOM 1181 HD2 LYS A 69 -0.896 2.294 -28.247 1.00 22.42 H ATOM 1182 HD3 LYS A 69 -1.313 3.187 -27.001 1.00 22.42 H ATOM 1183 HE2 LYS A 69 -0.301 1.692 -25.596 1.00 26.79 H ATOM 1184 HE3 LYS A 69 0.131 0.813 -26.854 1.00 26.79 H ATOM 1185 HZ1 LYS A 69 1.024 3.383 -26.416 1.00 32.74 H ATOM 1186 HZ2 LYS A 69 1.850 2.207 -26.229 1.00 32.74 H ATOM 1187 HZ3 LYS A 69 1.416 2.583 -27.559 1.00 32.74 H ATOM 1188 N THR A 70 -5.061 -0.936 -28.096 1.00 15.03 N ANISOU 1188 N THR A 70 2848 1656 1206 421 -337 -303 N ATOM 1189 CA THR A 70 -4.885 -2.204 -28.778 1.00 13.65 C ANISOU 1189 CA THR A 70 2533 1623 1030 415 -329 -120 C ATOM 1190 C THR A 70 -6.183 -2.606 -29.415 1.00 14.88 C ANISOU 1190 C THR A 70 2614 1892 1148 342 -373 -118 C ATOM 1191 O THR A 70 -7.193 -2.723 -28.778 1.00 16.04 O ANISOU 1191 O THR A 70 2457 2200 1438 384 -325 -122 O ATOM 1192 CB THR A 70 -4.480 -3.309 -27.777 1.00 13.17 C ANISOU 1192 CB THR A 70 2256 1513 1237 182 -345 -241 C ATOM 1193 OG1 THR A 70 -3.265 -2.951 -27.166 1.00 13.29 O ANISOU 1193 OG1 THR A 70 2561 1210 1278 295 -338 -143 O ATOM 1194 CG2 THR A 70 -4.245 -4.632 -28.497 1.00 12.67 C ANISOU 1194 CG2 THR A 70 1735 1827 1252 -1 -222 -218 C ATOM 1195 H THR A 70 -5.353 -1.005 -27.289 1.00 18.01 H ATOM 1196 HA THR A 70 -4.195 -2.125 -29.470 1.00 16.35 H ATOM 1197 HB THR A 70 -5.171 -3.427 -27.107 1.00 15.78 H ATOM 1198 HG1 THR A 70 -3.350 -2.239 -26.767 1.00 15.92 H ATOM 1199 HG21 THR A 70 -3.994 -5.310 -27.864 1.00 15.18 H ATOM 1200 HG22 THR A 70 -5.046 -4.908 -28.947 1.00 15.18 H ATOM 1201 HG23 THR A 70 -3.542 -4.534 -29.143 1.00 15.18 H ATOM 1202 N PRO A 71 -6.195 -2.782 -30.777 1.00 17.45 N ANISOU 1202 N PRO A 71 3057 2177 1397 437 -554 -268 N ATOM 1203 CA PRO A 71 -7.436 -3.200 -31.413 1.00 18.45 C ANISOU 1203 CA PRO A 71 3172 2185 1655 533 -693 -573 C ATOM 1204 C PRO A 71 -7.885 -4.603 -31.019 1.00 17.61 C ANISOU 1204 C PRO A 71 2712 2180 1799 624 -602 -429 C ATOM 1205 O PRO A 71 -7.100 -5.455 -30.543 1.00 16.72 O ANISOU 1205 O PRO A 71 2471 2114 1769 523 -645 -213 O ATOM 1206 CB PRO A 71 -7.078 -3.256 -32.916 1.00 19.32 C ANISOU 1206 CB PRO A 71 3312 2305 1725 379 -725 -458 C ATOM 1207 CG PRO A 71 -5.855 -2.606 -33.093 1.00 20.26 C ANISOU 1207 CG PRO A 71 3563 2456 1679 145 -598 -345 C ATOM 1208 CD PRO A 71 -5.114 -2.643 -31.744 1.00 18.08 C ANISOU 1208 CD PRO A 71 3474 2036 1360 411 -617 -383 C ATOM 1209 HA PRO A 71 -8.155 -2.553 -31.258 1.00 22.12 H ATOM 1210 HB2 PRO A 71 -7.007 -4.183 -33.192 1.00 23.16 H ATOM 1211 HB3 PRO A 71 -7.771 -2.807 -33.425 1.00 23.16 H ATOM 1212 HG2 PRO A 71 -5.341 -3.070 -33.772 1.00 24.29 H ATOM 1213 HG3 PRO A 71 -6.016 -1.688 -33.362 1.00 24.29 H ATOM 1214 HD2 PRO A 71 -4.522 -3.411 -31.703 1.00 21.67 H ATOM 1215 HD3 PRO A 71 -4.633 -1.813 -31.598 1.00 21.67 H ATOM 1216 N GLY A 72 -9.182 -4.818 -31.175 1.00 18.59 N ANISOU 1216 N GLY A 72 2824 2280 1958 558 -819 -306 N ATOM 1217 CA GLY A 72 -9.809 -6.112 -30.974 1.00 18.69 C ANISOU 1217 CA GLY A 72 2637 2130 2335 358 -636 -298 C ATOM 1218 C GLY A 72 -9.446 -6.869 -29.709 1.00 18.34 C ANISOU 1218 C GLY A 72 2548 1842 2577 465 -663 -142 C ATOM 1219 O GLY A 72 -9.168 -8.091 -29.739 1.00 20.14 O ANISOU 1219 O GLY A 72 2920 1889 2842 162 -919 -20 O ATOM 1220 H GLY A 72 -9.740 -4.205 -31.406 1.00 22.28 H ATOM 1221 HA2 GLY A 72 -10.771 -5.989 -30.973 1.00 22.41 H ATOM 1222 HA3 GLY A 72 -9.586 -6.681 -31.727 1.00 22.41 H ATOM 1223 N ALA A 73 -9.377 -6.133 -28.598 1.00 16.64 N ANISOU 1223 N ALA A 73 2112 1942 2269 487 -851 -263 N ATOM 1224 CA ALA A 73 -8.843 -6.616 -27.350 1.00 16.59 C ANISOU 1224 CA ALA A 73 1948 2223 2134 237 -726 -299 C ATOM 1225 C ALA A 73 -9.928 -7.149 -26.443 1.00 17.57 C ANISOU 1225 C ALA A 73 1804 2440 2433 314 -713 -47 C ATOM 1226 O ALA A 73 -11.076 -6.700 -26.409 1.00 19.21 O ANISOU 1226 O ALA A 73 2139 2560 2601 347 -691 150 O ATOM 1227 CB ALA A 73 -8.078 -5.466 -26.648 1.00 17.85 C ANISOU 1227 CB ALA A 73 2305 2280 2198 55 -812 -216 C ATOM 1228 H ALA A 73 -9.647 -5.318 -28.554 1.00 19.94 H ATOM 1229 HA ALA A 73 -8.210 -7.342 -27.529 1.00 19.89 H ATOM 1230 HB1 ALA A 73 -7.723 -5.789 -25.816 1.00 21.40 H ATOM 1231 HB2 ALA A 73 -7.363 -5.174 -27.218 1.00 21.40 H ATOM 1232 HB3 ALA A 73 -8.685 -4.741 -26.485 1.00 21.40 H ATOM 1233 N VAL A 74 -9.516 -8.132 -25.663 1.00 18.50 N ANISOU 1233 N VAL A 74 1912 2650 2468 192 -959 33 N ATOM 1234 CA VAL A 74 -10.340 -8.584 -24.560 1.00 20.24 C ANISOU 1234 CA VAL A 74 2231 2782 2678 90 -756 -38 C ATOM 1235 C VAL A 74 -9.470 -8.391 -23.288 1.00 19.01 C ANISOU 1235 C VAL A 74 2008 2644 2570 -255 -558 29 C ATOM 1236 O VAL A 74 -8.239 -8.452 -23.354 1.00 19.61 O ANISOU 1236 O VAL A 74 2169 2646 2634 -126 -598 -72 O ATOM 1237 CB VAL A 74 -10.887 -10.047 -24.748 1.00 24.13 C ANISOU 1237 CB VAL A 74 2708 3187 3274 -6 -807 -344 C ATOM 1238 CG1 VAL A 74 -11.789 -10.152 -25.954 1.00 26.22 C ANISOU 1238 CG1 VAL A 74 2987 3458 3515 -48 -840 -391 C ATOM 1239 CG2 VAL A 74 -9.752 -11.068 -24.928 1.00 26.24 C ANISOU 1239 CG2 VAL A 74 3137 3277 3554 68 -780 -294 C ATOM 1240 H VAL A 74 -8.771 -8.552 -25.749 1.00 22.18 H ATOM 1241 HA VAL A 74 -11.114 -7.987 -24.483 1.00 24.26 H ATOM 1242 HB VAL A 74 -11.405 -10.302 -23.956 1.00 28.93 H ATOM 1243 HG11 VAL A 74 -11.851 -9.291 -26.374 1.00 31.43 H ATOM 1244 HG12 VAL A 74 -11.417 -10.790 -26.568 1.00 31.43 H ATOM 1245 HG13 VAL A 74 -12.659 -10.441 -25.669 1.00 31.43 H ATOM 1246 HG21 VAL A 74 -8.910 -10.608 -24.890 1.00 31.46 H ATOM 1247 HG22 VAL A 74 -9.802 -11.718 -24.223 1.00 31.46 H ATOM 1248 HG23 VAL A 74 -9.852 -11.499 -25.780 1.00 31.46 H ATOM 1249 N ASN A 75 -10.112 -8.085 -22.168 1.00 19.03 N ANISOU 1249 N ASN A 75 2175 2574 2481 -276 -414 347 N ATOM 1250 CA ASN A 75 -9.461 -7.775 -20.901 1.00 18.94 C ANISOU 1250 CA ASN A 75 2162 2498 2535 -80 -420 509 C ATOM 1251 C ASN A 75 -9.728 -8.861 -19.863 1.00 20.06 C ANISOU 1251 C ASN A 75 2362 2546 2716 -167 -346 617 C ATOM 1252 O ASN A 75 -10.501 -8.641 -18.911 1.00 19.50 O ANISOU 1252 O ASN A 75 2150 2659 2601 -373 -437 759 O ATOM 1253 CB ASN A 75 -10.033 -6.442 -20.381 1.00 19.60 C ANISOU 1253 CB ASN A 75 2232 2604 2609 98 -177 557 C ATOM 1254 CG ASN A 75 -9.297 -5.895 -19.156 1.00 20.13 C ANISOU 1254 CG ASN A 75 2335 2755 2559 123 -208 698 C ATOM 1255 OD1 ASN A 75 -8.343 -6.486 -18.620 1.00 20.28 O ANISOU 1255 OD1 ASN A 75 2080 2856 2768 -102 -67 626 O ATOM 1256 ND2 ASN A 75 -9.763 -4.742 -18.693 1.00 20.88 N ANISOU 1256 ND2 ASN A 75 2440 2952 2541 194 -224 549 N ATOM 1257 H ASN A 75 -10.969 -8.048 -22.116 1.00 22.81 H ATOM 1258 HA ASN A 75 -8.494 -7.683 -21.030 1.00 22.70 H ATOM 1259 HB2 ASN A 75 -9.970 -5.778 -21.086 1.00 23.49 H ATOM 1260 HB3 ASN A 75 -10.962 -6.574 -20.136 1.00 23.49 H ATOM 1261 HD21 ASN A 75 -10.430 -4.361 -19.080 1.00 25.03 H ATOM 1262 HD22 ASN A 75 -9.397 -4.376 -18.006 1.00 25.03 H ATOM 1263 N ALA A 76 -9.123 -10.028 -20.055 1.00 19.61 N ANISOU 1263 N ALA A 76 2449 2259 2743 -185 -437 614 N ATOM 1264 CA ALA A 76 -9.416 -11.197 -19.196 1.00 21.27 C ANISOU 1264 CA ALA A 76 2633 2296 3154 -167 7 649 C ATOM 1265 C ALA A 76 -9.084 -11.002 -17.716 1.00 21.03 C ANISOU 1265 C ALA A 76 2363 2539 3088 -256 237 773 C ATOM 1266 O ALA A 76 -9.729 -11.605 -16.850 1.00 23.49 O ANISOU 1266 O ALA A 76 2524 3090 3310 -524 371 850 O ATOM 1267 CB ALA A 76 -8.687 -12.430 -19.741 1.00 22.81 C ANISOU 1267 CB ALA A 76 3116 2239 3313 107 29 661 C ATOM 1268 H ALA A 76 -8.541 -10.179 -20.670 1.00 23.51 H ATOM 1269 HA ALA A 76 -10.377 -11.382 -19.253 1.00 25.50 H ATOM 1270 HB1 ALA A 76 -8.883 -13.183 -19.179 1.00 27.35 H ATOM 1271 HB2 ALA A 76 -8.990 -12.602 -20.636 1.00 27.35 H ATOM 1272 HB3 ALA A 76 -7.742 -12.258 -19.743 1.00 27.35 H ATOM 1273 N CYS A 77 -8.075 -10.188 -17.421 1.00 17.80 N ANISOU 1273 N CYS A 77 1951 2192 2622 -123 -38 774 N ATOM 1274 CA CYS A 77 -7.711 -9.918 -16.037 1.00 16.98 C ANISOU 1274 CA CYS A 77 1840 2223 2389 -243 338 613 C ATOM 1275 C CYS A 77 -8.509 -8.792 -15.447 1.00 18.07 C ANISOU 1275 C CYS A 77 1593 2548 2723 -244 472 748 C ATOM 1276 O CYS A 77 -8.385 -8.518 -14.273 1.00 19.88 O ANISOU 1276 O CYS A 77 1794 2938 2823 -169 607 888 O ATOM 1277 CB CYS A 77 -6.244 -9.625 -15.878 1.00 15.86 C ANISOU 1277 CB CYS A 77 2142 1734 2149 -274 -74 502 C ATOM 1278 SG CYS A 77 -5.238 -11.094 -16.120 1.00 15.79 S ANISOU 1278 SG CYS A 77 2102 1738 2158 -66 -226 145 S ATOM 1279 H CYS A 77 -7.588 -9.782 -18.002 1.00 21.34 H ATOM 1280 HA CYS A 77 -7.906 -10.719 -15.508 1.00 20.35 H ATOM 1281 HB2 CYS A 77 -5.978 -8.964 -16.537 1.00 19.00 H ATOM 1282 HB3 CYS A 77 -6.081 -9.290 -14.983 1.00 19.00 H ATOM 1283 N HIS A 78 -9.314 -8.135 -16.277 1.00 18.62 N ANISOU 1283 N HIS A 78 1433 2652 2992 -117 327 485 N ATOM 1284 CA AHIS A 78 -10.135 -6.989 -15.841 0.50 19.99 C ANISOU 1284 CA AHIS A 78 1695 2752 3147 45 497 359 C ATOM 1285 CA BHIS A 78 -10.122 -6.980 -15.864 0.50 20.63 C ANISOU 1285 CA BHIS A 78 1832 2837 3169 22 439 318 C ATOM 1286 C HIS A 78 -9.278 -5.964 -15.091 1.00 20.07 C ANISOU 1286 C HIS A 78 1783 2801 3043 368 429 445 C ATOM 1287 O HIS A 78 -9.603 -5.549 -13.974 1.00 21.26 O ANISOU 1287 O HIS A 78 1895 2889 3295 348 425 415 O ATOM 1288 CB AHIS A 78 -11.376 -7.436 -15.008 0.50 21.71 C ANISOU 1288 CB AHIS A 78 2171 2824 3254 66 534 303 C ATOM 1289 CB BHIS A 78 -11.363 -7.443 -15.110 0.50 23.73 C ANISOU 1289 CB BHIS A 78 2566 3096 3353 -46 394 140 C ATOM 1290 CG AHIS A 78 -11.060 -8.188 -13.741 0.50 22.37 C ANISOU 1290 CG AHIS A 78 2390 2894 3214 228 404 348 C ATOM 1291 CG BHIS A 78 -12.258 -8.313 -15.938 0.50 26.02 C ANISOU 1291 CG BHIS A 78 3109 3354 3423 -39 231 20 C ATOM 1292 ND1AHIS A 78 -11.317 -9.536 -13.582 0.50 23.63 N ANISOU 1292 ND1AHIS A 78 2683 3016 3280 199 285 397 N ATOM 1293 ND1BHIS A 78 -12.972 -7.835 -17.018 0.50 27.00 N ANISOU 1293 ND1BHIS A 78 3394 3410 3455 -223 213 -30 N ATOM 1294 CD2AHIS A 78 -10.557 -7.769 -12.554 0.50 22.82 C ANISOU 1294 CD2AHIS A 78 2521 3000 3149 294 291 411 C ATOM 1295 CD2BHIS A 78 -12.543 -9.631 -15.850 0.50 27.43 C ANISOU 1295 CD2BHIS A 78 3417 3505 3501 54 43 -77 C ATOM 1296 CE1AHIS A 78 -10.977 -9.913 -12.363 0.50 22.91 C ANISOU 1296 CE1AHIS A 78 2479 3046 3179 220 238 396 C ATOM 1297 CE1BHIS A 78 -13.668 -8.824 -17.551 0.50 27.67 C ANISOU 1297 CE1BHIS A 78 3517 3512 3484 -253 81 -97 C ATOM 1298 NE2AHIS A 78 -10.505 -8.860 -11.724 0.50 23.19 N ANISOU 1298 NE2AHIS A 78 2513 3122 3175 426 122 400 N ATOM 1299 NE2BHIS A 78 -13.426 -9.924 -16.860 0.50 27.88 N ANISOU 1299 NE2BHIS A 78 3534 3548 3513 -20 -9 -105 N ATOM 1300 H HIS A 78 -9.410 -8.337 -17.107 1.00 22.32 H ATOM 1301 HA HIS A 78 -10.457 -6.535 -16.659 0.50 24.73 H ATOM 1302 HB2AHIS A 78 -11.881 -6.646 -14.760 0.50 26.03 H ATOM 1303 HB2BHIS A 78 -11.088 -7.953 -14.331 0.50 28.45 H ATOM 1304 HB3AHIS A 78 -11.927 -8.013 -15.560 0.50 26.03 H ATOM 1305 HB3BHIS A 78 -11.873 -6.666 -14.833 0.50 28.45 H ATOM 1306 HD1AHIS A 78 -11.653 -10.050 -14.184 0.50 28.33 H ATOM 1307 HD1BHIS A 78 -12.971 -7.021 -17.295 0.50 32.37 H ATOM 1308 HD2AHIS A 78 -10.288 -6.904 -12.344 0.50 27.36 H ATOM 1309 HD2BHIS A 78 -12.211 -10.227 -15.218 0.50 32.89 H ATOM 1310 HE1AHIS A 78 -11.042 -10.776 -12.021 0.50 27.46 H ATOM 1311 HE1BHIS A 78 -14.231 -8.757 -18.288 0.50 33.17 H ATOM 1312 HE2AHIS A 78 -10.214 -8.858 -10.914 0.50 27.80 H ATOM 1313 HE2BHIS A 78 -13.763 -10.699 -17.020 0.50 33.44 H ATOM 1314 N LEU A 79 -8.175 -5.610 -15.728 1.00 18.11 N ANISOU 1314 N LEU A 79 1513 2727 2643 378 359 797 N ATOM 1315 CA LEU A 79 -7.187 -4.722 -15.176 1.00 18.64 C ANISOU 1315 CA LEU A 79 1854 2749 2481 503 313 714 C ATOM 1316 C LEU A 79 -6.725 -3.778 -16.249 1.00 16.44 C ANISOU 1316 C LEU A 79 1553 2637 2059 163 368 637 C ATOM 1317 O LEU A 79 -6.550 -4.163 -17.397 1.00 16.75 O ANISOU 1317 O LEU A 79 1727 2699 1939 -214 -136 477 O ATOM 1318 CB LEU A 79 -5.927 -5.526 -14.699 1.00 20.99 C ANISOU 1318 CB LEU A 79 2422 2777 2775 884 416 322 C ATOM 1319 CG LEU A 79 -5.857 -6.156 -13.335 1.00 23.73 C ANISOU 1319 CG LEU A 79 2870 2836 3310 1060 -243 11 C ATOM 1320 CD1 LEU A 79 -4.480 -6.733 -13.164 1.00 23.69 C ANISOU 1320 CD1 LEU A 79 2551 2976 3474 1347 -893 -302 C ATOM 1321 CD2 LEU A 79 -6.156 -5.177 -12.270 1.00 23.44 C ANISOU 1321 CD2 LEU A 79 2878 2679 3350 966 -354 -78 C ATOM 1322 H LEU A 79 -7.975 -5.887 -16.517 1.00 21.71 H ATOM 1323 HA LEU A 79 -7.558 -4.214 -14.426 1.00 22.35 H ATOM 1324 HB2 LEU A 79 -5.794 -6.247 -15.334 1.00 25.16 H ATOM 1325 HB3 LEU A 79 -5.169 -4.924 -14.755 1.00 25.16 H ATOM 1326 HG LEU A 79 -6.502 -6.879 -13.278 1.00 28.45 H ATOM 1327 HD11 LEU A 79 -4.331 -7.391 -13.847 1.00 28.40 H ATOM 1328 HD12 LEU A 79 -3.835 -6.027 -13.242 1.00 28.40 H ATOM 1329 HD13 LEU A 79 -4.418 -7.140 -12.297 1.00 28.40 H ATOM 1330 HD21 LEU A 79 -5.514 -4.464 -12.314 1.00 28.11 H ATOM 1331 HD22 LEU A 79 -7.041 -4.830 -12.404 1.00 28.11 H ATOM 1332 HD23 LEU A 79 -6.101 -5.616 -11.418 1.00 28.11 H ATOM 1333 N SER A 80 -6.441 -2.571 -15.834 1.00 15.94 N ANISOU 1333 N SER A 80 1686 2510 1862 296 477 651 N ATOM 1334 CA SER A 80 -5.677 -1.662 -16.640 1.00 13.67 C ANISOU 1334 CA SER A 80 1489 1961 1743 434 273 601 C ATOM 1335 C SER A 80 -4.249 -2.175 -16.745 1.00 12.53 C ANISOU 1335 C SER A 80 1626 1711 1423 395 263 468 C ATOM 1336 O SER A 80 -3.639 -2.557 -15.736 1.00 11.92 O ANISOU 1336 O SER A 80 1896 1454 1178 187 86 185 O ATOM 1337 CB SER A 80 -5.680 -0.268 -16.006 1.00 15.05 C ANISOU 1337 CB SER A 80 2158 1974 1586 268 333 322 C ATOM 1338 OG SER A 80 -4.756 0.557 -16.650 1.00 14.76 O ANISOU 1338 OG SER A 80 2238 1714 1655 462 194 54 O ATOM 1339 H SER A 80 -6.683 -2.248 -15.074 1.00 19.11 H ATOM 1340 HA SER A 80 -6.063 -1.606 -17.539 1.00 16.38 H ATOM 1341 HB2 SER A 80 -6.566 0.118 -16.094 1.00 18.03 H ATOM 1342 HB3 SER A 80 -5.441 -0.344 -15.070 1.00 18.03 H ATOM 1343 HG SER A 80 -4.760 1.303 -16.308 1.00 17.69 H ATOM 1344 N CYS A 81 -3.698 -2.129 -17.954 1.00 11.38 N ANISOU 1344 N CYS A 81 1261 1736 1327 178 1 440 N ATOM 1345 CA CYS A 81 -2.314 -2.486 -18.099 1.00 11.14 C ANISOU 1345 CA CYS A 81 1137 1791 1303 354 -59 329 C ATOM 1346 C CYS A 81 -1.326 -1.665 -17.226 1.00 11.44 C ANISOU 1346 C CYS A 81 1438 1627 1280 232 72 286 C ATOM 1347 O CYS A 81 -0.236 -2.121 -16.884 1.00 11.57 O ANISOU 1347 O CYS A 81 1693 1524 1180 186 212 141 O ATOM 1348 CB CYS A 81 -1.867 -2.432 -19.550 1.00 10.29 C ANISOU 1348 CB CYS A 81 1152 1467 1288 306 -53 70 C ATOM 1349 SG CYS A 81 -2.761 -3.575 -20.705 1.00 12.23 S ANISOU 1349 SG CYS A 81 1741 1520 1385 188 -45 58 S ATOM 1350 H CYS A 81 -4.098 -1.900 -18.680 1.00 13.63 H ATOM 1351 HA CYS A 81 -2.223 -3.419 -17.815 1.00 13.34 H ATOM 1352 HB2 CYS A 81 -1.997 -1.528 -19.878 1.00 12.32 H ATOM 1353 HB3 CYS A 81 -0.925 -2.657 -19.589 1.00 12.32 H ATOM 1354 N SER A 82 -1.704 -0.420 -16.934 1.00 12.65 N ANISOU 1354 N SER A 82 1979 1382 1445 295 164 403 N ATOM 1355 CA SER A 82 -0.899 0.424 -16.046 1.00 13.60 C ANISOU 1355 CA SER A 82 2097 1389 1680 252 199 171 C ATOM 1356 C SER A 82 -0.677 -0.196 -14.689 1.00 11.90 C ANISOU 1356 C SER A 82 1670 1298 1552 79 1 58 C ATOM 1357 O SER A 82 0.376 -0.018 -14.124 1.00 13.17 O ANISOU 1357 O SER A 82 1713 1370 1922 -13 -79 -190 O ATOM 1358 CB ASER A 82 -1.600 1.753 -15.941 0.56 14.55 C ANISOU 1358 CB ASER A 82 2403 1351 1776 131 406 158 C ATOM 1359 CB BSER A 82 -1.476 1.833 -15.746 0.44 13.21 C ANISOU 1359 CB BSER A 82 1954 1374 1690 296 148 28 C ATOM 1360 OG ASER A 82 -2.926 1.638 -15.457 0.56 15.33 O ANISOU 1360 OG ASER A 82 2673 1389 1762 257 288 302 O ATOM 1361 OG BSER A 82 -0.731 2.633 -14.713 0.44 12.28 O ANISOU 1361 OG BSER A 82 1687 1273 1706 559 55 56 O ATOM 1362 H SER A 82 -2.416 -0.042 -17.234 1.00 15.15 H ATOM 1363 HA SER A 82 -0.020 0.553 -16.459 1.00 16.29 H ATOM 1364 HB2ASER A 82 -1.097 2.321 -15.336 0.56 17.44 H ATOM 1365 HB2BSER A 82 -1.477 2.340 -16.573 0.44 15.82 H ATOM 1366 HB3ASER A 82 -1.626 2.159 -16.822 0.56 17.44 H ATOM 1367 HB3BSER A 82 -2.390 1.725 -15.439 0.44 15.82 H ATOM 1368 HG ASER A 82 -3.103 0.851 -15.308 0.56 18.37 H ATOM 1369 HG BSER A 82 -1.092 3.361 -14.608 0.44 14.71 H ATOM 1370 N ALA A 83 -1.629 -1.003 -14.239 1.00 10.49 N ANISOU 1370 N ALA A 83 1483 1315 1187 33 -122 92 N ATOM 1371 CA ALA A 83 -1.503 -1.665 -12.936 1.00 11.93 C ANISOU 1371 CA ALA A 83 1867 1449 1217 5 -65 -7 C ATOM 1372 C ALA A 83 -0.352 -2.661 -12.949 1.00 11.57 C ANISOU 1372 C ALA A 83 1893 1346 1159 -32 -341 -61 C ATOM 1373 O ALA A 83 0.139 -3.042 -11.855 1.00 12.96 O ANISOU 1373 O ALA A 83 2262 1460 1204 173 -10 -126 O ATOM 1374 CB ALA A 83 -2.835 -2.316 -12.587 1.00 13.87 C ANISOU 1374 CB ALA A 83 2206 1566 1495 130 200 19 C ATOM 1375 H ALA A 83 -2.355 -1.187 -14.662 1.00 12.56 H ATOM 1376 HA ALA A 83 -1.309 -0.990 -12.253 1.00 14.29 H ATOM 1377 HB1 ALA A 83 -2.756 -2.751 -11.734 1.00 16.61 H ATOM 1378 HB2 ALA A 83 -3.513 -1.638 -12.548 1.00 16.61 H ATOM 1379 HB3 ALA A 83 -3.055 -2.960 -13.264 1.00 16.61 H ATOM 1380 N LEU A 84 0.025 -3.094 -14.142 1.00 10.29 N ANISOU 1380 N LEU A 84 1765 1176 970 49 -171 -126 N ATOM 1381 CA LEU A 84 1.094 -4.063 -14.311 1.00 10.78 C ANISOU 1381 CA LEU A 84 1762 1317 1017 144 -189 -164 C ATOM 1382 C LEU A 84 2.450 -3.470 -14.469 1.00 10.41 C ANISOU 1382 C LEU A 84 1434 1421 1101 192 14 -116 C ATOM 1383 O LEU A 84 3.387 -4.156 -14.743 1.00 12.29 O ANISOU 1383 O LEU A 84 1619 1396 1656 29 98 -192 O ATOM 1384 CB LEU A 84 0.795 -4.953 -15.501 1.00 11.14 C ANISOU 1384 CB LEU A 84 1634 1237 1361 134 -161 57 C ATOM 1385 CG LEU A 84 -0.539 -5.663 -15.449 1.00 14.78 C ANISOU 1385 CG LEU A 84 2441 1294 1880 10 -412 -26 C ATOM 1386 CD1 LEU A 84 -0.751 -6.437 -16.743 1.00 17.37 C ANISOU 1386 CD1 LEU A 84 2630 1703 2268 142 -514 -189 C ATOM 1387 CD2 LEU A 84 -0.577 -6.602 -14.237 1.00 16.79 C ANISOU 1387 CD2 LEU A 84 2731 1563 2083 -386 -616 457 C ATOM 1388 H LEU A 84 -0.330 -2.838 -14.882 1.00 12.33 H ATOM 1389 HA LEU A 84 1.118 -4.636 -13.516 1.00 12.91 H ATOM 1390 HB2 LEU A 84 0.804 -4.408 -16.304 1.00 13.34 H ATOM 1391 HB3 LEU A 84 1.485 -5.631 -15.561 1.00 13.34 H ATOM 1392 HG LEU A 84 -1.252 -5.011 -15.358 1.00 17.71 H ATOM 1393 HD11 LEU A 84 -1.599 -6.885 -16.703 1.00 20.82 H ATOM 1394 HD12 LEU A 84 -0.740 -5.822 -17.480 1.00 20.82 H ATOM 1395 HD13 LEU A 84 -0.045 -7.080 -16.841 1.00 20.82 H ATOM 1396 HD21 LEU A 84 -1.427 -7.047 -14.214 1.00 20.12 H ATOM 1397 HD22 LEU A 84 0.129 -7.247 -14.320 1.00 20.12 H ATOM 1398 HD23 LEU A 84 -0.456 -6.085 -13.438 1.00 20.12 H ATOM 1399 N LEU A 85 2.585 -2.133 -14.294 1.00 10.09 N ANISOU 1399 N LEU A 85 1321 1393 1122 123 -131 43 N ATOM 1400 CA LEU A 85 3.899 -1.510 -14.351 1.00 11.37 C ANISOU 1400 CA LEU A 85 1606 1653 1060 -127 -165 37 C ATOM 1401 C LEU A 85 4.287 -0.970 -12.984 1.00 14.01 C ANISOU 1401 C LEU A 85 2054 1923 1346 -436 -181 -11 C ATOM 1402 O LEU A 85 5.181 -0.199 -12.861 1.00 18.80 O ANISOU 1402 O LEU A 85 3187 2658 1300 -1273 -11 -194 O ATOM 1403 CB LEU A 85 3.925 -0.387 -15.408 1.00 10.92 C ANISOU 1403 CB LEU A 85 1815 1313 1021 -27 -75 -155 C ATOM 1404 CG LEU A 85 3.632 -0.817 -16.860 1.00 11.70 C ANISOU 1404 CG LEU A 85 2010 1183 1252 -32 -235 -155 C ATOM 1405 CD1 LEU A 85 3.496 0.379 -17.756 1.00 12.01 C ANISOU 1405 CD1 LEU A 85 2106 1058 1400 245 -124 -105 C ATOM 1406 CD2 LEU A 85 4.764 -1.712 -17.245 1.00 11.18 C ANISOU 1406 CD2 LEU A 85 1729 1164 1356 117 -216 -146 C ATOM 1407 H LEU A 85 1.937 -1.588 -14.144 1.00 12.09 H ATOM 1408 HA LEU A 85 4.561 -2.184 -14.610 1.00 13.62 H ATOM 1409 HB2 LEU A 85 3.261 0.277 -15.164 1.00 13.08 H ATOM 1410 HB3 LEU A 85 4.805 0.020 -15.399 1.00 13.08 H ATOM 1411 HG LEU A 85 2.807 -1.326 -16.890 1.00 14.01 H ATOM 1412 HD11 LEU A 85 3.315 0.080 -18.650 1.00 14.39 H ATOM 1413 HD12 LEU A 85 2.773 0.925 -17.440 1.00 14.39 H ATOM 1414 HD13 LEU A 85 4.316 0.878 -17.737 1.00 14.39 H ATOM 1415 HD21 LEU A 85 4.632 -2.011 -18.148 1.00 13.39 H ATOM 1416 HD22 LEU A 85 5.587 -1.220 -17.180 1.00 13.39 H ATOM 1417 HD23 LEU A 85 4.784 -2.464 -16.650 1.00 13.39 H ATOM 1418 N GLN A 86 3.593 -1.344 -11.937 1.00 13.27 N ANISOU 1418 N GLN A 86 1996 1816 1231 -258 -13 -287 N ATOM 1419 CA GLN A 86 3.879 -0.892 -10.578 1.00 13.32 C ANISOU 1419 CA GLN A 86 1863 1896 1301 215 -93 -251 C ATOM 1420 C GLN A 86 5.011 -1.646 -9.923 1.00 12.51 C ANISOU 1420 C GLN A 86 1659 1641 1453 247 -56 -358 C ATOM 1421 O GLN A 86 5.220 -2.818 -10.232 1.00 13.38 O ANISOU 1421 O GLN A 86 1537 1699 1849 134 -367 -508 O ATOM 1422 CB GLN A 86 2.609 -1.116 -9.758 1.00 16.18 C ANISOU 1422 CB GLN A 86 2117 2490 1542 491 -137 -167 C ATOM 1423 CG GLN A 86 1.508 -0.266 -10.240 1.00 19.19 C ANISOU 1423 CG GLN A 86 2615 2990 1687 535 315 -1 C ATOM 1424 CD GLN A 86 0.450 -0.281 -9.274 1.00 21.36 C ANISOU 1424 CD GLN A 86 2833 3375 1906 354 350 -322 C ATOM 1425 OE1 GLN A 86 0.443 0.507 -8.321 1.00 24.19 O ANISOU 1425 OE1 GLN A 86 3277 3728 2188 423 487 -786 O ATOM 1426 NE2 GLN A 86 -0.443 -1.229 -9.436 1.00 19.26 N ANISOU 1426 NE2 GLN A 86 2213 3242 1862 -146 483 80 N ATOM 1427 H GLN A 86 2.923 -1.881 -11.981 1.00 15.90 H ATOM 1428 HA GLN A 86 4.092 0.065 -10.581 1.00 15.96 H ATOM 1429 HB2 GLN A 86 2.335 -2.043 -9.838 1.00 19.40 H ATOM 1430 HB3 GLN A 86 2.782 -0.895 -8.830 1.00 19.40 H ATOM 1431 HG2 GLN A 86 1.821 0.647 -10.345 1.00 23.01 H ATOM 1432 HG3 GLN A 86 1.169 -0.612 -11.080 1.00 23.01 H ATOM 1433 HE21 GLN A 86 -0.366 -1.785 -10.087 1.00 23.09 H ATOM 1434 HE22 GLN A 86 -1.104 -1.294 -8.890 1.00 23.09 H ATOM 1435 N ASP A 87 5.615 -1.029 -8.900 1.00 12.28 N ANISOU 1435 N ASP A 87 1837 1356 1474 27 -236 -245 N ATOM 1436 CA ASP A 87 6.542 -1.773 -8.046 1.00 11.11 C ANISOU 1436 CA ASP A 87 1462 1269 1491 11 -334 -189 C ATOM 1437 C ASP A 87 5.903 -2.850 -7.178 1.00 11.09 C ANISOU 1437 C ASP A 87 1241 1187 1787 13 -537 -138 C ATOM 1438 O ASP A 87 6.531 -3.859 -6.942 1.00 14.21 O ANISOU 1438 O ASP A 87 1882 1404 2114 108 -228 -125 O ATOM 1439 CB ASP A 87 7.303 -0.831 -7.110 1.00 11.29 C ANISOU 1439 CB ASP A 87 1684 1273 1334 -51 -274 -152 C ATOM 1440 CG ASP A 87 8.334 0.049 -7.811 1.00 12.87 C ANISOU 1440 CG ASP A 87 1929 1502 1459 29 -277 -24 C ATOM 1441 OD1 ASP A 87 8.565 0.014 -9.045 1.00 13.86 O ANISOU 1441 OD1 ASP A 87 1693 1813 1760 -131 -370 -29 O ATOM 1442 OD2 ASP A 87 8.934 0.869 -7.066 1.00 14.81 O ANISOU 1442 OD2 ASP A 87 2242 1561 1824 -170 -399 -15 O ATOM 1443 H ASP A 87 5.508 -0.203 -8.685 1.00 14.71 H ATOM 1444 HA ASP A 87 7.203 -2.213 -8.620 1.00 13.31 H ATOM 1445 HB2 ASP A 87 6.665 -0.246 -6.671 1.00 13.53 H ATOM 1446 HB3 ASP A 87 7.770 -1.362 -6.446 1.00 13.53 H ATOM 1447 N ASN A 88 4.656 -2.627 -6.812 1.00 11.00 N ANISOU 1447 N ASN A 88 1442 1173 1563 -3 -160 -150 N ATOM 1448 CA ASN A 88 3.881 -3.577 -6.021 1.00 12.50 C ANISOU 1448 CA ASN A 88 1875 1319 1557 -36 56 -327 C ATOM 1449 C ASN A 88 3.265 -4.583 -7.008 1.00 11.79 C ANISOU 1449 C ASN A 88 1766 1310 1403 -156 -307 -199 C ATOM 1450 O ASN A 88 2.423 -4.172 -7.839 1.00 12.48 O ANISOU 1450 O ASN A 88 1951 1268 1522 -76 -121 -246 O ATOM 1451 CB ASN A 88 2.801 -2.848 -5.213 1.00 14.12 C ANISOU 1451 CB ASN A 88 2300 1518 1546 -172 175 -422 C ATOM 1452 CG ASN A 88 2.007 -3.799 -4.334 1.00 16.44 C ANISOU 1452 CG ASN A 88 2788 1821 1637 -20 397 -525 C ATOM 1453 OD1 ASN A 88 1.902 -4.991 -4.616 1.00 15.47 O ANISOU 1453 OD1 ASN A 88 2512 1819 1546 -246 246 -450 O ATOM 1454 ND2 ASN A 88 1.498 -3.286 -3.214 1.00 21.94 N ANISOU 1454 ND2 ASN A 88 3616 2410 2313 88 813 -457 N ATOM 1455 H ASN A 88 4.221 -1.913 -7.013 1.00 13.17 H ATOM 1456 HA ASN A 88 4.471 -4.058 -5.403 1.00 14.98 H ATOM 1457 HB2 ASN A 88 3.223 -2.188 -4.641 1.00 16.92 H ATOM 1458 HB3 ASN A 88 2.184 -2.416 -5.824 1.00 16.92 H ATOM 1459 HD21 ASN A 88 1.627 -2.458 -3.024 1.00 26.31 H ATOM 1460 HD22 ASN A 88 1.041 -3.784 -2.683 1.00 26.31 H ATOM 1461 N ILE A 89 3.729 -5.837 -6.987 1.00 11.48 N ANISOU 1461 N ILE A 89 1813 1274 1276 -107 -49 -275 N ATOM 1462 CA ILE A 89 3.319 -6.787 -7.994 1.00 10.60 C ANISOU 1462 CA ILE A 89 1732 1252 1046 112 101 -222 C ATOM 1463 C ILE A 89 2.034 -7.518 -7.647 1.00 10.22 C ANISOU 1463 C ILE A 89 1682 1174 1025 -64 46 -100 C ATOM 1464 O ILE A 89 1.732 -8.477 -8.319 1.00 10.63 O ANISOU 1464 O ILE A 89 1558 1400 1082 -63 -74 -264 O ATOM 1465 CB ILE A 89 4.449 -7.791 -8.301 1.00 10.67 C ANISOU 1465 CB ILE A 89 1704 1336 1014 143 -41 -80 C ATOM 1466 CG1 ILE A 89 4.795 -8.680 -7.131 1.00 12.71 C ANISOU 1466 CG1 ILE A 89 1996 1445 1389 35 163 -120 C ATOM 1467 CG2 ILE A 89 5.678 -7.015 -8.935 1.00 11.27 C ANISOU 1467 CG2 ILE A 89 2020 1134 1130 -237 -4 -183 C ATOM 1468 CD1 ILE A 89 5.808 -9.788 -7.539 1.00 14.90 C ANISOU 1468 CD1 ILE A 89 2488 1548 1627 24 242 -70 C ATOM 1469 H ILE A 89 4.277 -6.150 -6.402 1.00 13.75 H ATOM 1470 HA ILE A 89 3.147 -6.290 -8.821 1.00 12.70 H ATOM 1471 HB ILE A 89 4.111 -8.378 -8.995 1.00 12.78 H ATOM 1472 HG12 ILE A 89 5.197 -8.144 -6.430 1.00 15.23 H ATOM 1473 HG13 ILE A 89 3.989 -9.110 -6.806 1.00 15.23 H ATOM 1474 HG21 ILE A 89 5.393 -6.587 -9.746 1.00 13.50 H ATOM 1475 HG22 ILE A 89 5.988 -6.357 -8.309 1.00 13.50 H ATOM 1476 HG23 ILE A 89 6.379 -7.643 -9.125 1.00 13.50 H ATOM 1477 HD11 ILE A 89 6.612 -9.373 -7.860 1.00 17.86 H ATOM 1478 HD12 ILE A 89 6.003 -10.330 -6.771 1.00 17.86 H ATOM 1479 HD13 ILE A 89 5.419 -10.327 -8.231 1.00 17.86 H ATOM 1480 N ALA A 90 1.296 -7.091 -6.621 1.00 10.24 N ANISOU 1480 N ALA A 90 1717 1182 991 -186 160 -189 N ATOM 1481 CA ALA A 90 0.082 -7.800 -6.296 1.00 11.08 C ANISOU 1481 CA ALA A 90 1753 1377 1079 -83 203 -167 C ATOM 1482 C ALA A 90 -0.879 -7.954 -7.475 1.00 10.60 C ANISOU 1482 C ALA A 90 1369 1202 1458 55 284 1 C ATOM 1483 O ALA A 90 -1.401 -9.060 -7.708 1.00 11.53 O ANISOU 1483 O ALA A 90 1631 1124 1626 -87 107 -153 O ATOM 1484 CB ALA A 90 -0.614 -7.139 -5.136 1.00 12.59 C ANISOU 1484 CB ALA A 90 1982 1675 1127 -158 231 -115 C ATOM 1485 H ALA A 90 1.476 -6.416 -6.118 1.00 12.26 H ATOM 1486 HA ALA A 90 0.328 -8.704 -6.008 1.00 13.27 H ATOM 1487 HB1 ALA A 90 -1.417 -7.624 -4.936 1.00 15.09 H ATOM 1488 HB2 ALA A 90 -0.028 -7.147 -4.375 1.00 15.09 H ATOM 1489 HB3 ALA A 90 -0.828 -6.234 -5.375 1.00 15.09 H ATOM 1490 N ASP A 91 -1.118 -6.880 -8.229 1.00 11.01 N ANISOU 1490 N ASP A 91 1736 1088 1359 -133 152 -103 N ATOM 1491 CA ASP A 91 -2.044 -6.947 -9.342 1.00 11.70 C ANISOU 1491 CA ASP A 91 1556 1227 1662 172 198 -228 C ATOM 1492 C ASP A 91 -1.495 -7.869 -10.471 1.00 11.09 C ANISOU 1492 C ASP A 91 1315 1222 1675 -38 11 -157 C ATOM 1493 O ASP A 91 -2.263 -8.637 -11.049 1.00 10.75 O ANISOU 1493 O ASP A 91 1372 1222 1489 37 -23 34 O ATOM 1494 CB ASP A 91 -2.437 -5.582 -9.909 1.00 13.38 C ANISOU 1494 CB ASP A 91 1774 1447 1861 233 363 -398 C ATOM 1495 CG ASP A 91 -3.403 -4.800 -9.051 1.00 18.59 C ANISOU 1495 CG ASP A 91 2718 1839 2506 195 540 -24 C ATOM 1496 OD1 ASP A 91 -3.975 -5.353 -8.106 1.00 22.15 O ANISOU 1496 OD1 ASP A 91 3064 2316 3035 497 1048 158 O ATOM 1497 OD2 ASP A 91 -3.590 -3.602 -9.410 1.00 19.47 O ANISOU 1497 OD2 ASP A 91 2760 1878 2759 374 327 -43 O ATOM 1498 H ASP A 91 -0.756 -6.109 -8.113 1.00 13.19 H ATOM 1499 HA ASP A 91 -2.869 -7.363 -9.016 1.00 14.02 H ATOM 1500 HB2 ASP A 91 -1.635 -5.047 -10.012 1.00 16.03 H ATOM 1501 HB3 ASP A 91 -2.854 -5.715 -10.775 1.00 16.03 H ATOM 1502 N ALA A 92 -0.212 -7.770 -10.720 1.00 9.65 N ANISOU 1502 N ALA A 92 1092 1114 1459 68 -163 -260 N ATOM 1503 CA ALA A 92 0.414 -8.633 -11.673 1.00 9.72 C ANISOU 1503 CA ALA A 92 1188 1227 1277 36 -132 -141 C ATOM 1504 C ALA A 92 0.256 -10.126 -11.300 1.00 9.89 C ANISOU 1504 C ALA A 92 1402 1189 1165 -6 180 -165 C ATOM 1505 O ALA A 92 0.018 -10.964 -12.190 1.00 10.23 O ANISOU 1505 O ALA A 92 1516 1253 1116 -74 -15 -135 O ATOM 1506 CB ALA A 92 1.855 -8.300 -11.902 1.00 9.63 C ANISOU 1506 CB ALA A 92 1173 1088 1396 -89 45 -307 C ATOM 1507 H ALA A 92 0.319 -7.206 -10.346 1.00 11.55 H ATOM 1508 HA ALA A 92 -0.042 -8.507 -12.531 1.00 11.63 H ATOM 1509 HB1 ALA A 92 2.218 -8.911 -12.548 1.00 11.53 H ATOM 1510 HB2 ALA A 92 1.919 -7.400 -12.229 1.00 11.53 H ATOM 1511 HB3 ALA A 92 2.330 -8.381 -11.071 1.00 11.53 H ATOM 1512 N VAL A 93 0.463 -10.435 -10.034 1.00 9.19 N ANISOU 1512 N VAL A 93 1318 1111 1062 78 5 -63 N ATOM 1513 CA VAL A 93 0.315 -11.790 -9.580 1.00 9.35 C ANISOU 1513 CA VAL A 93 1155 1276 1122 285 114 -134 C ATOM 1514 C VAL A 93 -1.152 -12.235 -9.683 1.00 9.73 C ANISOU 1514 C VAL A 93 1143 1324 1231 156 142 -137 C ATOM 1515 O VAL A 93 -1.408 -13.365 -10.104 1.00 10.75 O ANISOU 1515 O VAL A 93 1534 1153 1396 -26 111 -135 O ATOM 1516 CB VAL A 93 0.828 -11.892 -8.138 1.00 10.30 C ANISOU 1516 CB VAL A 93 1485 1276 1152 82 -19 -246 C ATOM 1517 CG1 VAL A 93 0.335 -13.186 -7.540 1.00 11.60 C ANISOU 1517 CG1 VAL A 93 1915 1237 1255 40 -55 -206 C ATOM 1518 CG2 VAL A 93 2.337 -11.864 -8.193 1.00 10.80 C ANISOU 1518 CG2 VAL A 93 1625 1281 1198 54 10 -91 C ATOM 1519 H VAL A 93 0.690 -9.876 -9.422 1.00 11.00 H ATOM 1520 HA VAL A 93 0.856 -12.382 -10.143 1.00 11.19 H ATOM 1521 HB VAL A 93 0.505 -11.137 -7.603 1.00 12.33 H ATOM 1522 HG11 VAL A 93 -0.188 -13.653 -8.196 1.00 13.89 H ATOM 1523 HG12 VAL A 93 1.090 -13.719 -7.283 1.00 13.89 H ATOM 1524 HG13 VAL A 93 -0.204 -12.989 -6.771 1.00 13.89 H ATOM 1525 HG21 VAL A 93 2.615 -11.791 -9.109 1.00 12.94 H ATOM 1526 HG22 VAL A 93 2.654 -11.109 -7.693 1.00 12.94 H ATOM 1527 HG23 VAL A 93 2.678 -12.677 -7.811 1.00 12.94 H ATOM 1528 N ALA A 94 -2.125 -11.394 -9.359 1.00 9.40 N ANISOU 1528 N ALA A 94 803 1386 1384 208 288 -68 N ATOM 1529 CA ALA A 94 -3.490 -11.732 -9.551 1.00 10.47 C ANISOU 1529 CA ALA A 94 835 1434 1709 329 290 -100 C ATOM 1530 C ALA A 94 -3.789 -12.031 -10.997 1.00 10.90 C ANISOU 1530 C ALA A 94 1031 1376 1736 100 64 -251 C ATOM 1531 O ALA A 94 -4.511 -12.993 -11.329 1.00 12.38 O ANISOU 1531 O ALA A 94 1434 1393 1878 -135 -119 -208 O ATOM 1532 CB ALA A 94 -4.382 -10.581 -9.038 1.00 13.27 C ANISOU 1532 CB ALA A 94 1084 1751 2207 252 291 -100 C ATOM 1533 H ALA A 94 -2.001 -10.612 -9.022 1.00 11.26 H ATOM 1534 HA ALA A 94 -3.698 -12.534 -9.027 1.00 12.54 H ATOM 1535 HB1 ALA A 94 -5.303 -10.817 -9.171 1.00 15.90 H ATOM 1536 HB2 ALA A 94 -4.210 -10.446 -8.103 1.00 15.90 H ATOM 1537 HB3 ALA A 94 -4.174 -9.783 -9.528 1.00 15.90 H ATOM 1538 N CYS A 95 -3.217 -11.269 -11.899 1.00 11.45 N ANISOU 1538 N CYS A 95 1440 1192 1717 38 24 -231 N ATOM 1539 CA CYS A 95 -3.472 -11.541 -13.313 1.00 11.26 C ANISOU 1539 CA CYS A 95 1242 1311 1724 154 -237 -224 C ATOM 1540 C CYS A 95 -2.786 -12.812 -13.750 1.00 10.51 C ANISOU 1540 C CYS A 95 1000 1240 1755 -45 -177 -343 C ATOM 1541 O CYS A 95 -3.361 -13.584 -14.518 1.00 12.37 O ANISOU 1541 O CYS A 95 1238 1338 2124 27 -516 -321 O ATOM 1542 CB CYS A 95 -3.021 -10.297 -14.132 1.00 12.90 C ANISOU 1542 CB CYS A 95 1663 1333 1903 207 -316 -234 C ATOM 1543 SG CYS A 95 -3.301 -10.417 -15.849 1.00 14.99 S ANISOU 1543 SG CYS A 95 2072 1760 1862 183 -38 -158 S ATOM 1544 H CYS A 95 -2.693 -10.607 -11.739 1.00 13.71 H ATOM 1545 HA CYS A 95 -4.435 -11.657 -13.447 1.00 13.48 H ATOM 1546 HB2 CYS A 95 -3.505 -9.521 -13.809 1.00 15.45 H ATOM 1547 HB3 CYS A 95 -2.069 -10.167 -13.999 1.00 15.45 H ATOM 1548 N ALA A 96 -1.551 -13.006 -13.379 1.00 9.18 N ANISOU 1548 N ALA A 96 931 1109 1450 38 -118 -300 N ATOM 1549 CA ALA A 96 -0.877 -14.261 -13.723 1.00 10.30 C ANISOU 1549 CA ALA A 96 1274 1175 1462 -7 -202 -373 C ATOM 1550 C ALA A 96 -1.657 -15.476 -13.245 1.00 10.75 C ANISOU 1550 C ALA A 96 1271 1277 1535 85 -217 -502 C ATOM 1551 O ALA A 96 -1.757 -16.470 -13.953 1.00 11.14 O ANISOU 1551 O ALA A 96 1164 1377 1693 59 -226 -273 O ATOM 1552 CB ALA A 96 0.497 -14.258 -13.178 1.00 11.05 C ANISOU 1552 CB ALA A 96 1323 1127 1748 269 -47 -383 C ATOM 1553 H ALA A 96 -1.072 -12.447 -12.933 1.00 11.00 H ATOM 1554 HA ALA A 96 -0.808 -14.320 -14.699 1.00 12.33 H ATOM 1555 HB1 ALA A 96 0.927 -15.085 -13.411 1.00 13.23 H ATOM 1556 HB2 ALA A 96 0.981 -13.520 -13.556 1.00 13.23 H ATOM 1557 HB3 ALA A 96 0.454 -14.168 -12.224 1.00 13.23 H ATOM 1558 N LYS A 97 -2.186 -15.422 -12.011 1.00 10.09 N ANISOU 1558 N LYS A 97 1116 1134 1585 -40 -215 -436 N ATOM 1559 CA LYS A 97 -3.039 -16.501 -11.528 1.00 11.17 C ANISOU 1559 CA LYS A 97 997 1161 2087 128 -262 -266 C ATOM 1560 C LYS A 97 -4.259 -16.672 -12.459 1.00 12.00 C ANISOU 1560 C LYS A 97 998 1162 2400 -117 -54 -201 C ATOM 1561 O LYS A 97 -4.616 -17.804 -12.785 1.00 13.44 O ANISOU 1561 O LYS A 97 1063 1390 2654 -72 -279 -303 O ATOM 1562 CB LYS A 97 -3.490 -16.189 -10.101 1.00 12.46 C ANISOU 1562 CB LYS A 97 1347 1258 2130 -241 176 -39 C ATOM 1563 CG LYS A 97 -2.428 -16.345 -9.070 1.00 10.72 C ANISOU 1563 CG LYS A 97 1120 1091 1862 -123 347 -111 C ATOM 1564 CD LYS A 97 -2.883 -15.967 -7.673 1.00 12.98 C ANISOU 1564 CD LYS A 97 1763 1479 1690 -194 289 -76 C ATOM 1565 CE LYS A 97 -1.814 -16.149 -6.648 1.00 14.25 C ANISOU 1565 CE LYS A 97 1993 1801 1620 -166 404 -205 C ATOM 1566 NZ LYS A 97 -2.227 -15.667 -5.297 1.00 15.47 N ANISOU 1566 NZ LYS A 97 2036 1880 1961 -366 459 -224 N ATOM 1567 H LYS A 97 -2.064 -14.781 -11.451 1.00 12.09 H ATOM 1568 HA LYS A 97 -2.533 -17.340 -11.519 1.00 13.38 H ATOM 1569 HB2 LYS A 97 -3.800 -15.270 -10.068 1.00 14.93 H ATOM 1570 HB3 LYS A 97 -4.217 -16.787 -9.868 1.00 14.93 H ATOM 1571 HG2 LYS A 97 -2.143 -17.272 -9.051 1.00 12.84 H ATOM 1572 HG3 LYS A 97 -1.678 -15.775 -9.303 1.00 12.84 H ATOM 1573 HD2 LYS A 97 -3.147 -15.034 -7.669 1.00 15.55 H ATOM 1574 HD3 LYS A 97 -3.635 -16.526 -7.425 1.00 15.55 H ATOM 1575 HE2 LYS A 97 -1.600 -17.093 -6.578 1.00 17.07 H ATOM 1576 HE3 LYS A 97 -1.028 -15.649 -6.918 1.00 17.07 H ATOM 1577 HZ1 LYS A 97 -2.423 -14.800 -5.330 1.00 18.54 H ATOM 1578 HZ2 LYS A 97 -2.945 -16.116 -5.020 1.00 18.54 H ATOM 1579 HZ3 LYS A 97 -1.566 -15.792 -4.714 1.00 18.54 H ATOM 1580 N ARG A 98 -4.847 -15.582 -12.910 1.00 12.87 N ANISOU 1580 N ARG A 98 1192 1301 2397 199 -333 -186 N ATOM 1581 CA ARG A 98 -5.950 -15.697 -13.835 1.00 15.17 C ANISOU 1581 CA ARG A 98 1421 1633 2712 104 -461 -214 C ATOM 1582 C ARG A 98 -5.558 -16.282 -15.189 1.00 15.02 C ANISOU 1582 C ARG A 98 1775 1387 2544 77 -494 -284 C ATOM 1583 O ARG A 98 -6.266 -17.146 -15.747 1.00 15.30 O ANISOU 1583 O ARG A 98 1589 1650 2573 0 -699 -380 O ATOM 1584 CB ARG A 98 -6.541 -14.273 -14.080 1.00 16.93 C ANISOU 1584 CB ARG A 98 1388 1986 3060 -65 -810 -206 C ATOM 1585 CG ARG A 98 -7.473 -14.177 -15.266 1.00 20.93 C ANISOU 1585 CG ARG A 98 2232 2483 3238 152 -519 -116 C ATOM 1586 CD ARG A 98 -8.735 -15.022 -15.114 1.00 23.18 C ANISOU 1586 CD ARG A 98 2815 2752 3240 -77 -400 -210 C ATOM 1587 NE ARG A 98 -9.619 -14.929 -16.300 1.00 24.78 N ANISOU 1587 NE ARG A 98 2969 3151 3296 -44 -489 -230 N ATOM 1588 CZ ARG A 98 -9.541 -15.761 -17.351 1.00 25.63 C ANISOU 1588 CZ ARG A 98 3241 3377 3120 123 -499 -298 C ATOM 1589 NH1 ARG A 98 -8.633 -16.753 -17.329 1.00 25.96 N ANISOU 1589 NH1 ARG A 98 3523 3408 2931 7 -551 -444 N ATOM 1590 NH2 ARG A 98 -10.371 -15.634 -18.413 1.00 27.27 N ANISOU 1590 NH2 ARG A 98 3349 3653 3360 258 -347 -234 N ATOM 1591 H ARG A 98 -4.630 -14.777 -12.699 1.00 15.42 H ATOM 1592 HA ARG A 98 -6.649 -16.261 -13.443 1.00 18.18 H ATOM 1593 HB2 ARG A 98 -7.038 -14.004 -13.292 1.00 20.29 H ATOM 1594 HB3 ARG A 98 -5.808 -13.655 -14.231 1.00 20.29 H ATOM 1595 HG2 ARG A 98 -7.745 -13.252 -15.378 1.00 25.09 H ATOM 1596 HG3 ARG A 98 -7.005 -14.481 -16.059 1.00 25.09 H ATOM 1597 HD2 ARG A 98 -8.483 -15.951 -14.997 1.00 27.79 H ATOM 1598 HD3 ARG A 98 -9.233 -14.712 -14.341 1.00 27.79 H ATOM 1599 HE ARG A 98 -10.291 -14.392 -16.261 1.00 29.71 H ATOM 1600 HH11 ARG A 98 -8.104 -16.838 -16.656 1.00 31.12 H ATOM 1601 HH12 ARG A 98 -8.573 -17.297 -17.993 1.00 31.12 H ATOM 1602 HH21 ARG A 98 -10.957 -15.004 -18.429 1.00 32.70 H ATOM 1603 HH22 ARG A 98 -10.311 -16.181 -19.074 1.00 32.70 H ATOM 1604 N VAL A 99 -4.392 -15.964 -15.675 1.00 14.95 N ANISOU 1604 N VAL A 99 1759 1685 2236 219 -679 -269 N ATOM 1605 CA VAL A 99 -3.905 -16.511 -16.933 1.00 14.78 C ANISOU 1605 CA VAL A 99 1873 1592 2150 315 -625 -388 C ATOM 1606 C VAL A 99 -3.816 -18.049 -16.805 1.00 14.85 C ANISOU 1606 C VAL A 99 1688 1511 2441 209 -702 -484 C ATOM 1607 O VAL A 99 -4.287 -18.759 -17.718 1.00 16.00 O ANISOU 1607 O VAL A 99 1974 1494 2612 306 -872 -551 O ATOM 1608 CB VAL A 99 -2.576 -15.943 -17.281 1.00 14.36 C ANISOU 1608 CB VAL A 99 2106 1525 1825 483 -561 -420 C ATOM 1609 CG1 VAL A 99 -1.889 -16.740 -18.472 1.00 15.75 C ANISOU 1609 CG1 VAL A 99 2586 1568 1829 573 -740 -321 C ATOM 1610 CG2 VAL A 99 -2.745 -14.497 -17.678 1.00 15.00 C ANISOU 1610 CG2 VAL A 99 2348 1491 1861 464 -550 -407 C ATOM 1611 H VAL A 99 -3.843 -15.421 -15.296 1.00 17.91 H ATOM 1612 HA VAL A 99 -4.536 -16.294 -17.651 1.00 17.71 H ATOM 1613 HB VAL A 99 -1.987 -15.985 -16.499 1.00 17.21 H ATOM 1614 HG11 VAL A 99 -2.471 -17.451 -18.749 1.00 18.87 H ATOM 1615 HG12 VAL A 99 -1.737 -16.137 -19.204 1.00 18.87 H ATOM 1616 HG13 VAL A 99 -1.054 -17.100 -18.166 1.00 18.87 H ATOM 1617 HG21 VAL A 99 -3.674 -14.264 -17.617 1.00 17.97 H ATOM 1618 HG22 VAL A 99 -2.229 -13.949 -17.083 1.00 17.97 H ATOM 1619 HG23 VAL A 99 -2.436 -14.383 -18.580 1.00 17.97 H ATOM 1620 N VAL A 100 -3.266 -18.557 -15.689 1.00 13.36 N ANISOU 1620 N VAL A 100 1485 1195 2396 -69 -766 -390 N ATOM 1621 CA VAL A 100 -2.973 -19.982 -15.584 1.00 12.79 C ANISOU 1621 CA VAL A 100 890 1508 2461 -85 -430 -488 C ATOM 1622 C VAL A 100 -4.168 -20.795 -15.144 1.00 13.26 C ANISOU 1622 C VAL A 100 741 1710 2587 -150 -218 -266 C ATOM 1623 O VAL A 100 -4.113 -22.024 -15.115 1.00 14.72 O ANISOU 1623 O VAL A 100 1234 1386 2972 -209 -127 -454 O ATOM 1624 CB VAL A 100 -1.776 -20.295 -14.724 1.00 11.36 C ANISOU 1624 CB VAL A 100 863 1400 2054 138 -309 -468 C ATOM 1625 CG1 VAL A 100 -0.582 -19.609 -15.292 1.00 10.71 C ANISOU 1625 CG1 VAL A 100 970 1372 1729 143 -178 -377 C ATOM 1626 CG2 VAL A 100 -1.996 -19.971 -13.237 1.00 11.14 C ANISOU 1626 CG2 VAL A 100 916 1300 2018 154 9 -415 C ATOM 1627 H VAL A 100 -3.058 -18.099 -14.991 1.00 16.00 H ATOM 1628 HA VAL A 100 -2.749 -20.295 -16.485 1.00 15.32 H ATOM 1629 HB VAL A 100 -1.606 -21.258 -14.783 1.00 13.61 H ATOM 1630 HG11 VAL A 100 0.182 -19.807 -14.745 1.00 12.83 H ATOM 1631 HG12 VAL A 100 -0.436 -19.926 -16.186 1.00 12.83 H ATOM 1632 HG13 VAL A 100 -0.741 -18.662 -15.302 1.00 12.83 H ATOM 1633 HG21 VAL A 100 -1.200 -20.193 -12.748 1.00 13.35 H ATOM 1634 HG22 VAL A 100 -2.187 -19.035 -13.147 1.00 13.35 H ATOM 1635 HG23 VAL A 100 -2.736 -20.489 -12.911 1.00 13.35 H ATOM 1636 N ARG A 101 -5.306 -20.144 -14.942 1.00 15.03 N ANISOU 1636 N ARG A 101 748 2177 2786 -63 131 -254 N ATOM 1637 CA ARG A 101 -6.560 -20.836 -14.783 1.00 16.86 C ANISOU 1637 CA ARG A 101 1092 2398 2915 222 166 -289 C ATOM 1638 C ARG A 101 -7.102 -21.216 -16.122 1.00 16.43 C ANISOU 1638 C ARG A 101 1391 2169 2682 -82 -72 -150 C ATOM 1639 O ARG A 101 -7.974 -22.119 -16.211 1.00 19.94 O ANISOU 1639 O ARG A 101 1958 2776 2842 -563 -137 -195 O ATOM 1640 CB ARG A 101 -7.556 -19.970 -14.028 1.00 17.62 C ANISOU 1640 CB ARG A 101 1209 2599 2886 199 446 -359 C ATOM 1641 CG ARG A 101 -7.316 -20.014 -12.587 1.00 18.81 C ANISOU 1641 CG ARG A 101 1587 2682 2877 149 530 -40 C ATOM 1642 CD ARG A 101 -8.360 -19.334 -11.655 1.00 21.32 C ANISOU 1642 CD ARG A 101 2143 2861 3099 -47 267 -107 C ATOM 1643 NE ARG A 101 -8.781 -17.988 -11.961 1.00 23.29 N ANISOU 1643 NE ARG A 101 2556 2912 3382 185 128 -286 N ATOM 1644 CZ ARG A 101 -8.324 -16.872 -11.384 1.00 25.20 C ANISOU 1644 CZ ARG A 101 3162 2807 3605 473 -64 -199 C ATOM 1645 NH1 ARG A 101 -7.311 -16.903 -10.498 1.00 24.77 N ANISOU 1645 NH1 ARG A 101 3184 2507 3720 608 -427 -324 N ATOM 1646 NH2 ARG A 101 -8.873 -15.707 -11.721 1.00 26.44 N ANISOU 1646 NH2 ARG A 101 3572 2837 3639 716 109 -122 N ATOM 1647 H ARG A 101 -5.372 -19.288 -14.893 1.00 18.01 H ATOM 1648 HA ARG A 101 -6.413 -21.656 -14.267 1.00 20.20 H ATOM 1649 HB2 ARG A 101 -7.470 -19.050 -14.324 1.00 21.12 H ATOM 1650 HB3 ARG A 101 -8.455 -20.295 -14.197 1.00 21.12 H ATOM 1651 HG2 ARG A 101 -7.264 -20.945 -12.321 1.00 22.54 H ATOM 1652 HG3 ARG A 101 -6.463 -19.586 -12.413 1.00 22.54 H ATOM 1653 HD2 ARG A 101 -9.159 -19.885 -11.654 1.00 25.56 H ATOM 1654 HD3 ARG A 101 -7.990 -19.316 -10.758 1.00 25.56 H ATOM 1655 HE ARG A 101 -9.380 -17.895 -12.570 1.00 27.93 H ATOM 1656 HH11 ARG A 101 -6.966 -17.655 -10.265 1.00 29.69 H ATOM 1657 HH12 ARG A 101 -7.022 -16.171 -10.150 1.00 29.69 H ATOM 1658 HH21 ARG A 101 -9.506 -15.682 -12.303 1.00 31.71 H ATOM 1659 HH22 ARG A 101 -8.566 -14.975 -11.389 1.00 31.71 H ATOM 1660 N ASP A 102 -6.593 -20.649 -17.193 1.00 20.02 N ANISOU 1660 N ASP A 102 2239 2380 2988 93 -191 -180 N ATOM 1661 CA ASP A 102 -7.019 -21.173 -18.452 1.00 22.43 C ANISOU 1661 CA ASP A 102 2752 2400 3371 -85 -575 -139 C ATOM 1662 C ASP A 102 -6.390 -22.540 -18.611 1.00 22.05 C ANISOU 1662 C ASP A 102 2761 2345 3274 -292 -811 -153 C ATOM 1663 O ASP A 102 -5.397 -22.873 -17.967 1.00 20.93 O ANISOU 1663 O ASP A 102 2905 2009 3037 -144 -1085 -206 O ATOM 1664 CB ASP A 102 -6.662 -20.197 -19.587 1.00 23.49 C ANISOU 1664 CB ASP A 102 2891 2366 3668 71 -751 60 C ATOM 1665 CG ASP A 102 -7.596 -18.966 -19.643 1.00 26.08 C ANISOU 1665 CG ASP A 102 3495 2354 4061 82 -535 202 C ATOM 1666 OD1 ASP A 102 -8.727 -18.960 -19.056 1.00 27.71 O ANISOU 1666 OD1 ASP A 102 3666 2483 4380 442 -470 -56 O ATOM 1667 OD2 ASP A 102 -7.180 -18.004 -20.336 1.00 27.59 O ANISOU 1667 OD2 ASP A 102 3947 2280 4255 -33 -679 496 O ATOM 1668 H ASP A 102 -6.032 -19.997 -17.216 1.00 24.00 H ATOM 1669 HA ASP A 102 -7.993 -21.285 -18.441 1.00 26.89 H ATOM 1670 HB2 ASP A 102 -5.755 -19.878 -19.454 1.00 28.16 H ATOM 1671 HB3 ASP A 102 -6.728 -20.662 -20.435 1.00 28.16 H ATOM 1672 N PRO A 103 -6.975 -23.345 -19.476 1.00 21.08 N ANISOU 1672 N PRO A 103 2614 2209 3188 -378 -715 -282 N ATOM 1673 CA PRO A 103 -6.469 -24.708 -19.635 1.00 19.07 C ANISOU 1673 CA PRO A 103 2595 1915 2734 -566 -764 -386 C ATOM 1674 C PRO A 103 -4.974 -24.844 -19.925 1.00 17.07 C ANISOU 1674 C PRO A 103 2510 1651 2322 -494 -418 -90 C ATOM 1675 O PRO A 103 -4.387 -25.797 -19.442 1.00 17.94 O ANISOU 1675 O PRO A 103 2709 1773 2333 -446 -180 -65 O ATOM 1676 CB PRO A 103 -7.286 -25.207 -20.816 1.00 21.75 C ANISOU 1676 CB PRO A 103 2937 2232 3093 -599 -785 -576 C ATOM 1677 CG PRO A 103 -8.561 -24.513 -20.707 1.00 23.04 C ANISOU 1677 CG PRO A 103 2955 2373 3427 -787 -593 -488 C ATOM 1678 CD PRO A 103 -8.181 -23.111 -20.281 1.00 22.83 C ANISOU 1678 CD PRO A 103 2791 2395 3490 -732 -585 -244 C ATOM 1679 HA PRO A 103 -6.691 -25.243 -18.845 1.00 22.86 H ATOM 1680 HB2 PRO A 103 -6.838 -24.975 -21.645 1.00 26.07 H ATOM 1681 HB3 PRO A 103 -7.409 -26.166 -20.747 1.00 26.07 H ATOM 1682 HG2 PRO A 103 -9.007 -24.504 -21.568 1.00 27.63 H ATOM 1683 HG3 PRO A 103 -9.113 -24.941 -20.034 1.00 27.63 H ATOM 1684 HD2 PRO A 103 -7.974 -22.564 -21.055 1.00 27.37 H ATOM 1685 HD3 PRO A 103 -8.882 -22.717 -19.740 1.00 27.37 H ATOM 1686 N GLN A 104 -4.366 -23.953 -20.728 1.00 17.61 N ANISOU 1686 N GLN A 104 2327 1944 2422 -633 -550 92 N ATOM 1687 CA GLN A 104 -2.933 -24.107 -21.025 1.00 18.13 C ANISOU 1687 CA GLN A 104 2326 2143 2420 -675 -425 216 C ATOM 1688 C GLN A 104 -2.020 -23.844 -19.823 1.00 15.18 C ANISOU 1688 C GLN A 104 1810 1924 2034 -586 -319 -193 C ATOM 1689 O GLN A 104 -0.794 -24.109 -19.871 1.00 14.49 O ANISOU 1689 O GLN A 104 1817 1989 1700 -360 -75 -162 O ATOM 1690 CB GLN A 104 -2.510 -23.134 -22.102 1.00 21.75 C ANISOU 1690 CB GLN A 104 2932 2832 2498 -788 -384 635 C ATOM 1691 CG GLN A 104 -2.947 -23.607 -23.481 1.00 24.59 C ANISOU 1691 CG GLN A 104 3282 3368 2692 -915 -238 787 C ATOM 1692 CD GLN A 104 -2.469 -22.699 -24.623 1.00 28.86 C ANISOU 1692 CD GLN A 104 3830 4015 3123 -613 -337 766 C ATOM 1693 OE1 GLN A 104 -2.154 -21.528 -24.400 1.00 30.30 O ANISOU 1693 OE1 GLN A 104 4132 4201 3180 -697 -277 887 O ATOM 1694 NE2 GLN A 104 -2.394 -23.255 -25.866 1.00 31.80 N ANISOU 1694 NE2 GLN A 104 4067 4412 3603 -676 -314 594 N ATOM 1695 H GLN A 104 -4.745 -23.276 -21.099 1.00 21.11 H ATOM 1696 HA GLN A 104 -2.765 -25.017 -21.347 1.00 21.73 H ATOM 1697 HB2 GLN A 104 -2.919 -22.271 -21.933 1.00 26.07 H ATOM 1698 HB3 GLN A 104 -1.543 -23.054 -22.100 1.00 26.07 H ATOM 1699 HG2 GLN A 104 -2.588 -24.494 -23.636 1.00 29.48 H ATOM 1700 HG3 GLN A 104 -3.917 -23.634 -23.510 1.00 29.48 H ATOM 1701 HE21 GLN A 104 -2.610 -24.080 -25.982 1.00 38.13 H ATOM 1702 HE22 GLN A 104 -2.130 -22.782 -26.533 1.00 38.13 H ATOM 1703 N GLY A 105 -2.562 -23.248 -18.762 1.00 14.87 N ANISOU 1703 N GLY A 105 1786 1891 1974 -329 -87 -254 N ATOM 1704 CA GLY A 105 -1.739 -23.031 -17.615 1.00 15.01 C ANISOU 1704 CA GLY A 105 1584 2052 2068 -200 -125 -539 C ATOM 1705 C GLY A 105 -0.632 -22.046 -18.019 1.00 14.63 C ANISOU 1705 C GLY A 105 1462 2102 1996 -339 93 -531 C ATOM 1706 O GLY A 105 -0.788 -21.105 -18.819 1.00 15.64 O ANISOU 1706 O GLY A 105 1608 1893 2441 -367 150 -431 O ATOM 1707 H GLY A 105 -3.375 -22.974 -18.696 1.00 17.82 H ATOM 1708 HA2 GLY A 105 -2.260 -22.650 -16.891 1.00 17.99 H ATOM 1709 HA3 GLY A 105 -1.339 -23.864 -17.322 1.00 17.99 H ATOM 1710 N ILE A 106 0.549 -22.344 -17.556 1.00 14.70 N ANISOU 1710 N ILE A 106 1561 2264 1760 -267 218 -761 N ATOM 1711 CA ILE A 106 1.681 -21.434 -17.750 1.00 14.40 C ANISOU 1711 CA ILE A 106 1726 2156 1591 -294 214 -605 C ATOM 1712 C ILE A 106 2.196 -21.529 -19.167 1.00 13.96 C ANISOU 1712 C ILE A 106 1748 2072 1484 -58 34 -640 C ATOM 1713 O ILE A 106 2.943 -20.684 -19.619 1.00 14.06 O ANISOU 1713 O ILE A 106 1666 2085 1592 -157 151 -799 O ATOM 1714 CB ILE A 106 2.790 -21.697 -16.790 1.00 15.38 C ANISOU 1714 CB ILE A 106 1899 2254 1690 -107 171 -196 C ATOM 1715 CG1 ILE A 106 3.848 -20.556 -16.818 1.00 14.41 C ANISOU 1715 CG1 ILE A 106 1533 2288 1655 -270 72 210 C ATOM 1716 CG2 ILE A 106 3.330 -23.099 -16.877 1.00 14.80 C ANISOU 1716 CG2 ILE A 106 1557 2299 1765 -69 178 91 C ATOM 1717 CD1 ILE A 106 4.549 -20.478 -15.559 1.00 14.41 C ANISOU 1717 CD1 ILE A 106 2212 1902 1362 -156 185 272 C ATOM 1718 H ILE A 106 0.740 -23.063 -17.124 1.00 17.61 H ATOM 1719 HA ILE A 106 1.373 -20.515 -17.605 1.00 17.26 H ATOM 1720 HB ILE A 106 2.383 -21.640 -15.911 1.00 18.43 H ATOM 1721 HG12 ILE A 106 4.495 -20.734 -17.518 1.00 17.27 H ATOM 1722 HG13 ILE A 106 3.404 -19.708 -16.974 1.00 17.27 H ATOM 1723 HG21 ILE A 106 4.038 -23.201 -16.236 1.00 17.73 H ATOM 1724 HG22 ILE A 106 2.623 -23.719 -16.686 1.00 17.73 H ATOM 1725 HG23 ILE A 106 3.667 -23.249 -17.764 1.00 17.73 H ATOM 1726 HD11 ILE A 106 5.193 -19.768 -15.605 1.00 17.27 H ATOM 1727 HD12 ILE A 106 3.915 -20.302 -14.860 1.00 17.27 H ATOM 1728 HD13 ILE A 106 4.992 -21.314 -15.397 1.00 17.27 H ATOM 1729 N ARG A 107 1.789 -22.559 -19.918 1.00 13.13 N ANISOU 1729 N ARG A 107 1850 1728 1411 -81 45 -462 N ATOM 1730 CA AARG A 107 2.146 -22.594 -21.325 0.51 12.75 C ANISOU 1730 CA AARG A 107 1948 1503 1393 -245 3 -474 C ATOM 1731 CA BARG A 107 2.131 -22.605 -21.331 0.49 13.12 C ANISOU 1731 CA BARG A 107 1961 1577 1449 -256 18 -395 C ATOM 1732 C ARG A 107 1.473 -21.499 -22.131 1.00 13.13 C ANISOU 1732 C ARG A 107 1886 1512 1592 -96 -206 -408 C ATOM 1733 O ARG A 107 1.785 -21.310 -23.320 1.00 13.99 O ANISOU 1733 O ARG A 107 2146 1598 1573 153 -210 -207 O ATOM 1734 CB AARG A 107 1.849 -23.958 -21.928 0.51 14.61 C ANISOU 1734 CB AARG A 107 2489 1528 1535 -71 67 -486 C ATOM 1735 CB BARG A 107 1.710 -23.943 -21.952 0.49 15.77 C ANISOU 1735 CB BARG A 107 2551 1744 1696 -83 48 -272 C ATOM 1736 CG AARG A 107 2.776 -25.040 -21.375 0.51 15.65 C ANISOU 1736 CG AARG A 107 2685 1483 1780 -50 433 -362 C ATOM 1737 CG BARG A 107 2.611 -25.111 -21.602 0.49 17.65 C ANISOU 1737 CG BARG A 107 2799 1878 2031 -73 146 -35 C ATOM 1738 CD AARG A 107 2.449 -26.380 -21.997 0.51 17.79 C ANISOU 1738 CD AARG A 107 3037 1703 2018 -41 667 -309 C ATOM 1739 CD BARG A 107 2.086 -26.444 -22.199 0.49 19.77 C ANISOU 1739 CD BARG A 107 3058 2163 2293 -30 1 105 C ATOM 1740 NE AARG A 107 2.611 -26.414 -23.462 0.51 18.67 N ANISOU 1740 NE AARG A 107 3109 2000 1987 -188 804 -270 N ATOM 1741 NE BARG A 107 1.743 -26.463 -23.630 0.49 20.23 N ANISOU 1741 NE BARG A 107 2787 2377 2522 -163 -240 160 N ATOM 1742 CZ AARG A 107 1.611 -26.339 -24.355 0.51 19.96 C ANISOU 1742 CZ AARG A 107 3321 2493 1771 -574 460 -707 C ATOM 1743 CZ BARG A 107 2.627 -26.583 -24.610 0.49 21.45 C ANISOU 1743 CZ BARG A 107 2853 2519 2777 51 -558 -177 C ATOM 1744 NH1AARG A 107 0.318 -26.237 -24.042 0.51 20.21 N ANISOU 1744 NH1AARG A 107 3737 2481 1462 -667 319 -711 N ATOM 1745 NH1BARG A 107 2.190 -26.577 -25.860 0.49 25.04 N ANISOU 1745 NH1BARG A 107 3335 2992 3187 145 -396 -161 N ATOM 1746 NH2AARG A 107 1.903 -26.329 -25.626 0.51 23.09 N ANISOU 1746 NH2AARG A 107 3685 3005 2084 -553 318 -709 N ATOM 1747 NH2BARG A 107 3.938 -26.629 -24.373 0.49 20.20 N ANISOU 1747 NH2BARG A 107 2794 2232 2649 27 -894 -318 N ATOM 1748 H ARG A 107 1.324 -23.228 -19.644 1.00 15.74 H ATOM 1749 HA ARG A 107 3.108 -22.483 -21.413 0.49 15.72 H ATOM 1750 HB2AARG A 107 0.935 -24.207 -21.719 0.51 17.51 H ATOM 1751 HB2BARG A 107 0.815 -24.159 -21.645 0.49 18.89 H ATOM 1752 HB3AARG A 107 1.973 -23.916 -22.889 0.51 17.51 H ATOM 1753 HB3BARG A 107 1.710 -23.850 -22.917 0.49 18.89 H ATOM 1754 HG2AARG A 107 3.696 -24.818 -21.587 0.51 18.76 H ATOM 1755 HG2BARG A 107 3.498 -24.948 -21.958 0.49 21.16 H ATOM 1756 HG3AARG A 107 2.656 -25.109 -20.415 0.51 18.76 H ATOM 1757 HG3BARG A 107 2.650 -25.206 -20.637 0.49 21.16 H ATOM 1758 HD2AARG A 107 3.038 -27.052 -21.619 0.51 21.32 H ATOM 1759 HD2BARG A 107 2.765 -27.122 -22.061 0.49 23.70 H ATOM 1760 HD3AARG A 107 1.527 -26.601 -21.796 0.51 21.32 H ATOM 1761 HD3BARG A 107 1.284 -26.695 -21.713 0.49 23.70 H ATOM 1762 HE AARG A 107 3.411 -26.489 -23.769 0.51 22.38 H ATOM 1763 HE BARG A 107 0.914 -26.392 -23.845 0.49 24.25 H ATOM 1764 HH11AARG A 107 0.075 -26.223 -23.218 0.51 24.23 H ATOM 1765 HH11BARG A 107 1.346 -26.535 -26.021 0.49 30.02 H ATOM 1766 HH12AARG A 107 -0.273 -26.194 -24.666 0.51 24.23 H ATOM 1767 HH12BARG A 107 2.749 -26.640 -26.511 0.49 30.02 H ATOM 1768 HH21AARG A 107 2.722 -26.400 -25.880 0.51 27.69 H ATOM 1769 HH21BARG A 107 4.229 -26.626 -23.564 0.49 24.21 H ATOM 1770 HH22AARG A 107 1.274 -26.297 -26.211 0.51 27.69 H ATOM 1771 HH22BARG A 107 4.491 -26.695 -25.029 0.49 24.21 H ATOM 1772 N ALA A 108 0.583 -20.731 -21.514 1.00 15.19 N ANISOU 1772 N ALA A 108 1948 1736 2089 -275 -57 -239 N ATOM 1773 CA ALA A 108 0.012 -19.540 -22.199 1.00 16.71 C ANISOU 1773 CA ALA A 108 1966 2004 2378 -138 -330 -164 C ATOM 1774 C ALA A 108 1.093 -18.529 -22.585 1.00 15.60 C ANISOU 1774 C ALA A 108 1879 1887 2160 -329 -508 -91 C ATOM 1775 O ALA A 108 0.906 -17.720 -23.495 1.00 18.32 O ANISOU 1775 O ALA A 108 2309 2102 2552 -289 -967 261 O ATOM 1776 CB ALA A 108 -1.061 -18.820 -21.332 1.00 19.33 C ANISOU 1776 CB ALA A 108 2183 2512 2650 343 -206 -6 C ATOM 1777 H ALA A 108 0.288 -20.862 -20.717 1.00 18.21 H ATOM 1778 HA ALA A 108 -0.425 -19.835 -23.025 1.00 20.02 H ATOM 1779 HB1 ALA A 108 -0.656 -18.532 -20.511 1.00 23.17 H ATOM 1780 HB2 ALA A 108 -1.396 -18.062 -21.816 1.00 23.17 H ATOM 1781 HB3 ALA A 108 -1.776 -19.434 -21.148 1.00 23.17 H ATOM 1782 N TRP A 109 2.189 -18.510 -21.824 1.00 13.23 N ANISOU 1782 N TRP A 109 1710 1659 1656 -164 -610 -391 N ATOM 1783 CA TRP A 109 3.331 -17.734 -22.195 1.00 12.46 C ANISOU 1783 CA TRP A 109 1635 1550 1547 7 -359 -342 C ATOM 1784 C TRP A 109 4.166 -18.619 -23.100 1.00 13.20 C ANISOU 1784 C TRP A 109 2013 1598 1404 -103 181 -251 C ATOM 1785 O TRP A 109 4.826 -19.557 -22.671 1.00 12.92 O ANISOU 1785 O TRP A 109 2033 1579 1298 -26 12 -255 O ATOM 1786 CB TRP A 109 4.122 -17.355 -20.969 1.00 11.54 C ANISOU 1786 CB TRP A 109 1343 1476 1565 -233 -437 -219 C ATOM 1787 CG TRP A 109 3.534 -16.223 -20.125 1.00 11.16 C ANISOU 1787 CG TRP A 109 1144 1390 1706 -267 -325 -222 C ATOM 1788 CD1 TRP A 109 3.740 -14.888 -20.265 1.00 12.74 C ANISOU 1788 CD1 TRP A 109 1366 1537 1936 -272 -220 -318 C ATOM 1789 CD2 TRP A 109 2.686 -16.388 -18.997 1.00 11.43 C ANISOU 1789 CD2 TRP A 109 1460 1388 1496 -164 -256 -193 C ATOM 1790 NE1 TRP A 109 3.068 -14.215 -19.265 1.00 12.93 N ANISOU 1790 NE1 TRP A 109 1440 1580 1894 -87 -73 -374 N ATOM 1791 CE2 TRP A 109 2.425 -15.112 -18.460 1.00 11.37 C ANISOU 1791 CE2 TRP A 109 1170 1521 1630 -138 -164 -255 C ATOM 1792 CE3 TRP A 109 2.160 -17.484 -18.359 1.00 11.41 C ANISOU 1792 CE3 TRP A 109 1488 1440 1407 41 -199 -342 C ATOM 1793 CZ2 TRP A 109 1.667 -14.924 -17.327 1.00 11.82 C ANISOU 1793 CZ2 TRP A 109 1368 1616 1508 90 -90 -336 C ATOM 1794 CZ3 TRP A 109 1.485 -17.287 -17.188 1.00 11.88 C ANISOU 1794 CZ3 TRP A 109 1592 1694 1228 17 -72 -274 C ATOM 1795 CH2 TRP A 109 1.168 -16.024 -16.732 1.00 12.09 C ANISOU 1795 CH2 TRP A 109 1489 1779 1325 -96 -168 -223 C ATOM 1796 H TRP A 109 2.280 -18.946 -21.088 1.00 15.85 H ATOM 1797 HA TRP A 109 3.061 -16.926 -22.678 1.00 14.92 H ATOM 1798 HB2 TRP A 109 4.194 -18.135 -20.397 1.00 13.82 H ATOM 1799 HB3 TRP A 109 5.008 -17.077 -21.250 1.00 13.82 H ATOM 1800 HD1 TRP A 109 4.236 -14.488 -20.943 1.00 15.26 H ATOM 1801 HE1 TRP A 109 3.050 -13.361 -19.167 1.00 15.50 H ATOM 1802 HE3 TRP A 109 2.373 -18.344 -18.644 1.00 13.67 H ATOM 1803 HZ2 TRP A 109 1.483 -14.072 -17.002 1.00 14.16 H ATOM 1804 HZ3 TRP A 109 1.087 -18.021 -16.778 1.00 14.23 H ATOM 1805 HH2 TRP A 109 0.647 -15.932 -15.968 1.00 14.48 H ATOM 1806 N VAL A 110 4.103 -18.318 -24.374 1.00 14.23 N ANISOU 1806 N VAL A 110 2309 1557 1542 -30 70 -204 N ATOM 1807 CA VAL A 110 4.673 -19.168 -25.355 1.00 16.52 C ANISOU 1807 CA VAL A 110 2942 1473 1863 -83 274 -87 C ATOM 1808 C VAL A 110 6.138 -19.244 -25.098 1.00 15.66 C ANISOU 1808 C VAL A 110 2796 1140 2014 324 353 97 C ATOM 1809 O VAL A 110 6.721 -20.325 -25.177 1.00 18.02 O ANISOU 1809 O VAL A 110 3471 1386 1990 505 686 -20 O ATOM 1810 CB VAL A 110 4.319 -18.713 -26.816 1.00 18.97 C ANISOU 1810 CB VAL A 110 3163 1995 2049 107 426 4 C ATOM 1811 CG1 VAL A 110 4.963 -19.556 -27.811 1.00 22.03 C ANISOU 1811 CG1 VAL A 110 3724 2355 2291 177 418 89 C ATOM 1812 CG2 VAL A 110 2.781 -18.723 -26.985 1.00 19.24 C ANISOU 1812 CG2 VAL A 110 3181 2179 1950 142 250 -144 C ATOM 1813 H VAL A 110 3.727 -17.613 -24.691 1.00 17.05 H ATOM 1814 HA VAL A 110 4.308 -20.070 -25.234 1.00 19.80 H ATOM 1815 HB VAL A 110 4.633 -17.794 -26.949 1.00 22.74 H ATOM 1816 HG11 VAL A 110 5.480 -20.229 -27.362 1.00 26.41 H ATOM 1817 HG12 VAL A 110 4.287 -19.969 -28.353 1.00 26.41 H ATOM 1818 HG13 VAL A 110 5.535 -19.013 -28.357 1.00 26.41 H ATOM 1819 HG21 VAL A 110 2.378 -19.006 -26.160 1.00 23.06 H ATOM 1820 HG22 VAL A 110 2.485 -17.838 -27.207 1.00 23.06 H ATOM 1821 HG23 VAL A 110 2.548 -19.333 -27.689 1.00 23.06 H ATOM 1822 N ALA A 111 6.768 -18.135 -24.777 1.00 17.26 N ANISOU 1822 N ALA A 111 2579 1386 2595 320 317 -58 N ATOM 1823 CA ALA A 111 8.180 -18.207 -24.494 1.00 18.83 C ANISOU 1823 CA ALA A 111 2623 1608 2924 153 512 -26 C ATOM 1824 C ALA A 111 8.571 -19.143 -23.328 1.00 17.42 C ANISOU 1824 C ALA A 111 1886 1673 3062 65 597 -287 C ATOM 1825 O ALA A 111 9.688 -19.628 -23.320 1.00 17.41 O ANISOU 1825 O ALA A 111 1774 1469 3373 -83 615 -283 O ATOM 1826 CB ALA A 111 8.794 -16.813 -24.352 1.00 19.29 C ANISOU 1826 CB ALA A 111 3100 1539 2691 186 663 -25 C ATOM 1827 H ALA A 111 6.415 -17.353 -24.717 1.00 20.69 H ATOM 1828 HA ALA A 111 8.599 -18.596 -25.289 1.00 22.57 H ATOM 1829 HB1 ALA A 111 9.731 -16.902 -24.165 1.00 23.12 H ATOM 1830 HB2 ALA A 111 8.668 -16.331 -25.173 1.00 23.12 H ATOM 1831 HB3 ALA A 111 8.359 -16.351 -23.631 1.00 23.12 H ATOM 1832 N TRP A 112 7.692 -19.319 -22.328 1.00 16.10 N ANISOU 1832 N TRP A 112 2134 1456 2528 128 417 -434 N ATOM 1833 CA TRP A 112 7.950 -20.267 -21.284 1.00 14.63 C ANISOU 1833 CA TRP A 112 1885 1829 1846 3 168 -598 C ATOM 1834 C TRP A 112 8.189 -21.749 -21.782 1.00 12.95 C ANISOU 1834 C TRP A 112 1684 1646 1590 138 202 -377 C ATOM 1835 O TRP A 112 9.029 -22.543 -21.272 1.00 11.93 O ANISOU 1835 O TRP A 112 1517 1680 1334 -302 142 -293 O ATOM 1836 CB TRP A 112 6.759 -20.274 -20.346 1.00 14.96 C ANISOU 1836 CB TRP A 112 1978 2199 1508 17 145 -339 C ATOM 1837 CG TRP A 112 7.018 -20.919 -19.177 1.00 14.85 C ANISOU 1837 CG TRP A 112 1721 2470 1451 278 350 -172 C ATOM 1838 CD1 TRP A 112 7.595 -20.389 -18.020 1.00 16.67 C ANISOU 1838 CD1 TRP A 112 1999 2653 1682 259 126 -186 C ATOM 1839 CD2 TRP A 112 6.747 -22.278 -18.887 1.00 13.43 C ANISOU 1839 CD2 TRP A 112 1148 2662 1294 531 191 -63 C ATOM 1840 NE1 TRP A 112 7.708 -21.359 -17.100 1.00 16.48 N ANISOU 1840 NE1 TRP A 112 1709 2780 1774 192 33 -113 N ATOM 1841 CE2 TRP A 112 7.179 -22.516 -17.581 1.00 15.38 C ANISOU 1841 CE2 TRP A 112 1209 3012 1620 481 347 -141 C ATOM 1842 CE3 TRP A 112 6.154 -23.363 -19.630 1.00 14.45 C ANISOU 1842 CE3 TRP A 112 1270 2733 1489 677 235 212 C ATOM 1843 CZ2 TRP A 112 7.090 -23.709 -17.051 1.00 15.97 C ANISOU 1843 CZ2 TRP A 112 1345 3145 1578 958 134 113 C ATOM 1844 CZ3 TRP A 112 6.077 -24.541 -19.109 1.00 16.29 C ANISOU 1844 CZ3 TRP A 112 1282 3311 1598 645 326 57 C ATOM 1845 CH2 TRP A 112 6.513 -24.727 -17.766 1.00 15.55 C ANISOU 1845 CH2 TRP A 112 1177 3436 1294 609 133 63 C ATOM 1846 H TRP A 112 6.948 -18.895 -22.249 1.00 19.29 H ATOM 1847 HA TRP A 112 8.739 -19.982 -20.778 1.00 17.54 H ATOM 1848 HB2 TRP A 112 6.516 -19.359 -20.137 1.00 17.93 H ATOM 1849 HB3 TRP A 112 6.018 -20.724 -20.780 1.00 17.93 H ATOM 1850 HD1 TRP A 112 7.885 -19.511 -17.915 1.00 19.98 H ATOM 1851 HE1 TRP A 112 8.030 -21.254 -16.310 1.00 19.75 H ATOM 1852 HE3 TRP A 112 5.874 -23.225 -20.506 1.00 17.32 H ATOM 1853 HZ2 TRP A 112 7.373 -23.854 -16.177 1.00 19.14 H ATOM 1854 HZ3 TRP A 112 5.685 -25.241 -19.579 1.00 19.53 H ATOM 1855 HH2 TRP A 112 6.443 -25.570 -17.380 1.00 18.63 H ATOM 1856 N ARG A 113 7.520 -22.066 -22.879 1.00 11.79 N ANISOU 1856 N ARG A 113 1479 1488 1514 387 -182 -338 N ATOM 1857 CA ARG A 113 7.704 -23.329 -23.595 1.00 9.84 C ANISOU 1857 CA ARG A 113 1275 1238 1225 272 86 -108 C ATOM 1858 C ARG A 113 9.160 -23.422 -24.027 1.00 10.12 C ANISOU 1858 C ARG A 113 1362 1144 1341 136 126 -251 C ATOM 1859 O ARG A 113 9.756 -24.480 -23.940 1.00 11.16 O ANISOU 1859 O ARG A 113 1570 1206 1466 51 400 -9 O ATOM 1860 CB ARG A 113 6.771 -23.389 -24.769 1.00 11.52 C ANISOU 1860 CB ARG A 113 1542 1403 1431 100 -168 -52 C ATOM 1861 CG ARG A 113 5.295 -23.262 -24.457 1.00 11.09 C ANISOU 1861 CG ARG A 113 1309 1476 1427 4 -35 -267 C ATOM 1862 CD ARG A 113 4.470 -23.214 -25.690 1.00 13.17 C ANISOU 1862 CD ARG A 113 1622 1722 1659 -40 -233 -431 C ATOM 1863 NE ARG A 113 3.117 -22.773 -25.373 1.00 14.50 N ANISOU 1863 NE ARG A 113 1503 2271 1735 -213 -182 -325 N ATOM 1864 CZ ARG A 113 2.151 -22.680 -26.264 1.00 15.77 C ANISOU 1864 CZ ARG A 113 1322 3085 1585 -247 -40 -280 C ATOM 1865 NH1 ARG A 113 2.388 -23.073 -27.525 1.00 17.79 N ANISOU 1865 NH1 ARG A 113 1693 3487 1578 -117 -112 -404 N ATOM 1866 NH2 ARG A 113 0.963 -22.178 -25.948 1.00 17.48 N ANISOU 1866 NH2 ARG A 113 1727 3385 1531 -80 -233 -272 N ATOM 1867 H ARG A 113 6.935 -21.552 -23.243 1.00 14.12 H ATOM 1868 HA ARG A 113 7.505 -24.080 -22.997 1.00 11.78 H ATOM 1869 HB2 ARG A 113 7.001 -22.669 -25.377 1.00 13.80 H ATOM 1870 HB3 ARG A 113 6.899 -24.241 -25.216 1.00 13.80 H ATOM 1871 HG2 ARG A 113 5.013 -24.028 -23.934 1.00 13.28 H ATOM 1872 HG3 ARG A 113 5.144 -22.443 -23.960 1.00 13.28 H ATOM 1873 HD2 ARG A 113 4.860 -22.585 -26.317 1.00 15.77 H ATOM 1874 HD3 ARG A 113 4.421 -24.099 -26.083 1.00 15.77 H ATOM 1875 HE ARG A 113 2.912 -22.667 -24.545 1.00 17.37 H ATOM 1876 HH11 ARG A 113 3.164 -23.370 -27.744 1.00 21.32 H ATOM 1877 HH12 ARG A 113 1.763 -23.025 -28.114 1.00 21.32 H ATOM 1878 HH21 ARG A 113 0.799 -21.942 -25.138 1.00 20.95 H ATOM 1879 HH22 ARG A 113 0.335 -22.161 -26.535 1.00 20.95 H ATOM 1880 N ASN A 114 9.677 -22.328 -24.563 1.00 10.12 N ANISOU 1880 N ASN A 114 1196 1176 1473 36 72 13 N ATOM 1881 CA ASN A 114 11.035 -22.300 -25.024 1.00 10.54 C ANISOU 1881 CA ASN A 114 1162 1317 1525 96 -56 -48 C ATOM 1882 C ASN A 114 12.150 -22.239 -24.022 1.00 11.42 C ANISOU 1882 C ASN A 114 1389 1295 1655 -92 94 -128 C ATOM 1883 O ASN A 114 13.234 -22.756 -24.229 1.00 11.56 O ANISOU 1883 O ASN A 114 1401 1501 1491 -6 178 -86 O ATOM 1884 CB ASN A 114 11.202 -21.157 -26.028 1.00 12.27 C ANISOU 1884 CB ASN A 114 1170 1743 1748 -92 127 78 C ATOM 1885 CG ASN A 114 10.350 -21.355 -27.252 1.00 13.96 C ANISOU 1885 CG ASN A 114 1811 1913 1578 32 110 -16 C ATOM 1886 OD1 ASN A 114 9.199 -21.024 -27.224 1.00 14.29 O ANISOU 1886 OD1 ASN A 114 1887 1985 1559 287 188 -168 O ATOM 1887 ND2 ASN A 114 10.932 -21.900 -28.369 1.00 13.90 N ANISOU 1887 ND2 ASN A 114 1976 1749 1557 -143 40 -72 N ATOM 1888 H ASN A 114 9.252 -21.588 -24.669 1.00 12.12 H ATOM 1889 HA ASN A 114 11.178 -23.127 -25.529 1.00 12.62 H ATOM 1890 HB2 ASN A 114 10.939 -20.323 -25.608 1.00 14.69 H ATOM 1891 HB3 ASN A 114 12.130 -21.112 -26.308 1.00 14.69 H ATOM 1892 HD21 ASN A 114 11.763 -22.118 -28.358 1.00 16.66 H ATOM 1893 HD22 ASN A 114 10.464 -22.022 -29.081 1.00 16.66 H ATOM 1894 N ARG A 115 11.873 -21.517 -22.935 1.00 11.07 N ANISOU 1894 N ARG A 115 1338 1334 1534 -173 366 -207 N ATOM 1895 CA ARG A 115 12.899 -21.116 -21.966 1.00 11.41 C ANISOU 1895 CA ARG A 115 1353 1473 1507 -179 244 -56 C ATOM 1896 C ARG A 115 12.904 -21.880 -20.632 1.00 10.38 C ANISOU 1896 C ARG A 115 1042 1459 1444 -11 48 -205 C ATOM 1897 O ARG A 115 13.910 -21.842 -19.948 1.00 11.56 O ANISOU 1897 O ARG A 115 1297 1449 1646 -110 146 -174 O ATOM 1898 CB ARG A 115 12.786 -19.611 -21.703 1.00 14.16 C ANISOU 1898 CB ARG A 115 1934 1638 1809 -635 191 87 C ATOM 1899 CG ARG A 115 12.850 -18.649 -22.859 1.00 17.63 C ANISOU 1899 CG ARG A 115 2362 2012 2324 -549 -25 277 C ATOM 1900 CD ARG A 115 14.236 -18.335 -23.176 1.00 19.01 C ANISOU 1900 CD ARG A 115 2617 2268 2339 -210 247 359 C ATOM 1901 NE ARG A 115 14.400 -17.352 -24.245 1.00 16.21 N ANISOU 1901 NE ARG A 115 2272 1709 2175 -48 370 149 N ATOM 1902 CZ ARG A 115 15.561 -17.128 -24.818 1.00 17.96 C ANISOU 1902 CZ ARG A 115 2452 1748 2624 -365 705 208 C ATOM 1903 NH1 ARG A 115 16.599 -17.837 -24.449 1.00 20.49 N ANISOU 1903 NH1 ARG A 115 2629 2216 2939 -246 513 367 N ATOM 1904 NH2 ARG A 115 15.707 -16.233 -25.824 1.00 19.90 N ANISOU 1904 NH2 ARG A 115 2875 1930 2756 -592 934 179 N ATOM 1905 H ARG A 115 11.084 -21.241 -22.732 1.00 13.26 H ATOM 1906 HA ARG A 115 13.774 -21.268 -22.380 1.00 13.66 H ATOM 1907 HB2 ARG A 115 11.937 -19.455 -21.260 1.00 16.97 H ATOM 1908 HB3 ARG A 115 13.504 -19.365 -21.099 1.00 16.97 H ATOM 1909 HG2 ARG A 115 12.439 -19.052 -23.640 1.00 21.13 H ATOM 1910 HG3 ARG A 115 12.394 -17.826 -22.622 1.00 21.13 H ATOM 1911 HD2 ARG A 115 14.664 -17.981 -22.381 1.00 22.79 H ATOM 1912 HD3 ARG A 115 14.684 -19.150 -23.453 1.00 22.79 H ATOM 1913 HE ARG A 115 13.778 -16.769 -24.355 1.00 19.42 H ATOM 1914 HH11 ARG A 115 16.521 -18.417 -23.818 1.00 24.56 H ATOM 1915 HH12 ARG A 115 17.363 -17.706 -24.820 1.00 24.56 H ATOM 1916 HH21 ARG A 115 15.034 -15.764 -26.083 1.00 23.85 H ATOM 1917 HH22 ARG A 115 16.479 -16.113 -26.184 1.00 23.85 H ATOM 1918 N CYS A 116 11.788 -22.524 -20.351 1.00 10.33 N ANISOU 1918 N CYS A 116 1282 1524 1120 -91 29 -300 N ATOM 1919 CA ACYS A 116 11.571 -23.116 -19.038 0.85 9.44 C ANISOU 1919 CA ACYS A 116 1145 1433 1010 232 -78 -90 C ATOM 1920 CA BCYS A 116 11.566 -23.114 -19.031 0.15 10.64 C ANISOU 1920 CA BCYS A 116 1318 1605 1119 -34 84 -180 C ATOM 1921 C CYS A 116 11.077 -24.551 -19.035 1.00 10.04 C ANISOU 1921 C CYS A 116 1227 1520 1067 -15 123 -75 C ATOM 1922 O CYS A 116 11.485 -25.353 -18.183 1.00 10.99 O ANISOU 1922 O CYS A 116 1436 1540 1200 -291 321 -90 O ATOM 1923 CB ACYS A 116 10.588 -22.250 -18.211 0.85 10.07 C ANISOU 1923 CB ACYS A 116 1208 1555 1063 138 -123 -69 C ATOM 1924 CB BCYS A 116 10.505 -22.333 -18.246 0.15 12.05 C ANISOU 1924 CB BCYS A 116 1587 1791 1201 -43 120 -210 C ATOM 1925 SG ACYS A 116 11.134 -20.513 -18.094 0.85 11.48 S ANISOU 1925 SG ACYS A 116 1618 1340 1404 1 108 -195 S ATOM 1926 SG BCYS A 116 10.774 -20.614 -17.949 0.15 13.74 S ANISOU 1926 SG BCYS A 116 1937 1944 1341 -42 211 -256 S ATOM 1927 H CYS A 116 11.137 -22.636 -20.901 1.00 12.37 H ATOM 1928 HA CYS A 116 12.416 -23.096 -18.542 0.15 12.74 H ATOM 1929 HB2ACYS A 116 9.716 -22.265 -18.636 0.85 12.06 H ATOM 1930 HB2BCYS A 116 9.666 -22.407 -18.727 0.15 14.44 H ATOM 1931 HB3ACYS A 116 10.527 -22.608 -17.311 0.85 12.06 H ATOM 1932 HB3BCYS A 116 10.408 -22.756 -17.378 0.15 14.44 H ATOM 1933 N GLN A 117 10.152 -24.863 -19.939 1.00 10.33 N ANISOU 1933 N GLN A 117 1303 1479 1145 -105 191 -226 N ATOM 1934 CA GLN A 117 9.500 -26.158 -19.921 1.00 11.00 C ANISOU 1934 CA GLN A 117 1436 1548 1197 -205 205 -204 C ATOM 1935 C GLN A 117 10.502 -27.299 -20.114 1.00 10.99 C ANISOU 1935 C GLN A 117 1548 1344 1283 -276 113 -31 C ATOM 1936 O GLN A 117 11.387 -27.239 -20.977 1.00 11.03 O ANISOU 1936 O GLN A 117 1555 1335 1302 137 64 58 O ATOM 1937 CB GLN A 117 8.462 -26.195 -21.030 1.00 12.51 C ANISOU 1937 CB GLN A 117 1738 1613 1403 -387 205 -218 C ATOM 1938 CG GLN A 117 7.734 -27.528 -21.096 1.00 13.61 C ANISOU 1938 CG GLN A 117 2061 1770 1342 -556 209 -335 C ATOM 1939 CD GLN A 117 6.493 -27.453 -21.986 1.00 15.02 C ANISOU 1939 CD GLN A 117 2276 1739 1693 -374 -283 -119 C ATOM 1940 OE1 GLN A 117 6.260 -26.488 -22.720 1.00 16.77 O ANISOU 1940 OE1 GLN A 117 2221 2297 1854 -591 -485 113 O ATOM 1941 NE2 GLN A 117 5.777 -28.552 -22.042 1.00 15.68 N ANISOU 1941 NE2 GLN A 117 2183 1790 1983 -235 -339 -46 N ATOM 1942 H GLN A 117 9.889 -24.342 -20.570 1.00 12.37 H ATOM 1943 HA GLN A 117 9.045 -26.285 -19.063 1.00 13.18 H ATOM 1944 HB2 GLN A 117 7.804 -25.500 -20.872 1.00 14.99 H ATOM 1945 HB3 GLN A 117 8.902 -26.050 -21.882 1.00 14.99 H ATOM 1946 HG2 GLN A 117 8.330 -28.200 -21.463 1.00 16.31 H ATOM 1947 HG3 GLN A 117 7.451 -27.783 -20.204 1.00 16.31 H ATOM 1948 HE21 GLN A 117 6.018 -29.246 -21.595 1.00 18.79 H ATOM 1949 HE22 GLN A 117 5.065 -28.577 -22.524 1.00 18.79 H ATOM 1950 N ASN A 118 10.385 -28.340 -19.292 1.00 11.20 N ANISOU 1950 N ASN A 118 1443 1370 1441 -131 -30 -57 N ATOM 1951 CA ASN A 118 11.199 -29.545 -19.403 1.00 13.16 C ANISOU 1951 CA ASN A 118 1662 1560 1776 -146 -101 -4 C ATOM 1952 C ASN A 118 12.714 -29.279 -19.195 1.00 13.82 C ANISOU 1952 C ASN A 118 1603 1724 1925 201 -12 -193 C ATOM 1953 O ASN A 118 13.571 -29.990 -19.737 1.00 18.77 O ANISOU 1953 O ASN A 118 2122 2111 2898 328 -366 -488 O ATOM 1954 CB ASN A 118 10.924 -30.304 -20.697 1.00 15.35 C ANISOU 1954 CB ASN A 118 2188 1629 2014 -230 32 -104 C ATOM 1955 CG ASN A 118 9.478 -30.795 -20.819 1.00 16.32 C ANISOU 1955 CG ASN A 118 2337 1873 1990 -397 78 -127 C ATOM 1956 OD1 ASN A 118 8.773 -31.082 -19.829 1.00 18.31 O ANISOU 1956 OD1 ASN A 118 2594 2154 2211 -753 -289 92 O ATOM 1957 ND2 ASN A 118 9.032 -30.878 -22.053 1.00 18.34 N ANISOU 1957 ND2 ASN A 118 2599 2083 2286 -247 -153 -415 N ATOM 1958 H ASN A 118 9.823 -28.370 -18.643 1.00 13.41 H ATOM 1959 HA ASN A 118 10.927 -30.143 -18.675 1.00 15.76 H ATOM 1960 HB2 ASN A 118 11.104 -29.718 -21.449 1.00 18.39 H ATOM 1961 HB3 ASN A 118 11.506 -31.079 -20.736 1.00 18.39 H ATOM 1962 HD21 ASN A 118 9.544 -30.665 -22.710 1.00 21.98 H ATOM 1963 HD22 ASN A 118 8.229 -31.146 -22.202 1.00 21.98 H ATOM 1964 N ARG A 119 13.023 -28.260 -18.371 1.00 11.60 N ANISOU 1964 N ARG A 119 1550 1474 1384 -120 102 26 N ATOM 1965 CA ARG A 119 14.379 -27.906 -17.999 1.00 11.46 C ANISOU 1965 CA ARG A 119 1497 1398 1458 -55 278 107 C ATOM 1966 C ARG A 119 14.587 -28.023 -16.492 1.00 12.37 C ANISOU 1966 C ARG A 119 1648 1475 1577 -46 291 28 C ATOM 1967 O ARG A 119 13.624 -28.118 -15.744 1.00 14.17 O ANISOU 1967 O ARG A 119 2037 1790 1558 -352 -3 -68 O ATOM 1968 CB ARG A 119 14.674 -26.472 -18.460 1.00 11.16 C ANISOU 1968 CB ARG A 119 1223 1463 1554 -35 54 -9 C ATOM 1969 CG ARG A 119 14.629 -26.287 -19.953 1.00 12.08 C ANISOU 1969 CG ARG A 119 1350 1551 1690 180 227 -28 C ATOM 1970 CD ARG A 119 14.815 -24.849 -20.272 1.00 12.60 C ANISOU 1970 CD ARG A 119 1483 1584 1719 137 28 129 C ATOM 1971 NE ARG A 119 14.804 -24.566 -21.720 1.00 12.91 N ANISOU 1971 NE ARG A 119 1214 1775 1915 160 86 77 N ATOM 1972 CZ ARG A 119 15.867 -24.467 -22.502 1.00 14.08 C ANISOU 1972 CZ ARG A 119 1351 1850 2148 223 475 395 C ATOM 1973 NH1 ARG A 119 17.083 -24.678 -22.059 1.00 15.59 N ANISOU 1973 NH1 ARG A 119 1364 1975 2583 442 432 611 N ATOM 1974 NH2 ARG A 119 15.691 -24.076 -23.752 1.00 15.54 N ANISOU 1974 NH2 ARG A 119 1766 1996 2141 275 487 631 N ATOM 1975 H ARG A 119 12.432 -27.750 -18.010 1.00 13.89 H ATOM 1976 HA ARG A 119 15.008 -28.511 -18.446 1.00 13.72 H ATOM 1977 HB2 ARG A 119 14.016 -25.877 -18.068 1.00 13.37 H ATOM 1978 HB3 ARG A 119 15.562 -26.224 -18.158 1.00 13.37 H ATOM 1979 HG2 ARG A 119 15.346 -26.792 -20.367 1.00 14.48 H ATOM 1980 HG3 ARG A 119 13.767 -26.572 -20.292 1.00 14.48 H ATOM 1981 HD2 ARG A 119 14.096 -24.341 -19.864 1.00 15.09 H ATOM 1982 HD3 ARG A 119 15.669 -24.555 -19.918 1.00 15.09 H ATOM 1983 HE ARG A 119 14.036 -24.456 -22.090 1.00 15.46 H ATOM 1984 HH11 ARG A 119 17.210 -24.894 -21.236 1.00 18.68 H ATOM 1985 HH12 ARG A 119 17.753 -24.613 -22.594 1.00 18.68 H ATOM 1986 HH21 ARG A 119 14.895 -23.953 -24.054 1.00 18.62 H ATOM 1987 HH22 ARG A 119 16.362 -24.047 -24.289 1.00 18.62 H ATOM 1988 N ASP A 120 15.837 -27.953 -16.078 1.00 12.92 N ANISOU 1988 N ASP A 120 1687 1433 1790 316 43 -224 N ATOM 1989 CA ASP A 120 16.144 -27.850 -14.642 1.00 13.68 C ANISOU 1989 CA ASP A 120 1639 1456 2102 297 -203 -362 C ATOM 1990 C ASP A 120 16.095 -26.378 -14.266 1.00 12.91 C ANISOU 1990 C ASP A 120 1470 1346 2090 147 -116 -427 C ATOM 1991 O ASP A 120 16.905 -25.584 -14.744 1.00 15.41 O ANISOU 1991 O ASP A 120 1544 1598 2714 -81 22 -540 O ATOM 1992 CB ASP A 120 17.529 -28.390 -14.403 1.00 16.14 C ANISOU 1992 CB ASP A 120 1928 1939 2265 776 -488 -486 C ATOM 1993 CG ASP A 120 17.907 -28.425 -12.899 1.00 20.11 C ANISOU 1993 CG ASP A 120 2848 2376 2417 1003 -694 -857 C ATOM 1994 OD1 ASP A 120 17.225 -27.783 -12.060 1.00 22.17 O ANISOU 1994 OD1 ASP A 120 3431 2512 2481 1392 -403 -767 O ATOM 1995 OD2 ASP A 120 18.925 -29.038 -12.537 1.00 21.14 O ANISOU 1995 OD2 ASP A 120 2942 2544 2546 920 -812 -845 O ATOM 1996 H ASP A 120 16.527 -27.962 -16.591 1.00 15.48 H ATOM 1997 HA ASP A 120 15.493 -28.353 -14.109 1.00 16.39 H ATOM 1998 HB2 ASP A 120 17.579 -29.296 -14.746 1.00 19.34 H ATOM 1999 HB3 ASP A 120 18.171 -27.826 -14.861 1.00 19.34 H ATOM 2000 N VAL A 121 15.043 -26.013 -13.532 1.00 11.54 N ANISOU 2000 N VAL A 121 1548 1281 1558 216 -122 -244 N ATOM 2001 CA VAL A 121 14.848 -24.622 -13.147 1.00 12.38 C ANISOU 2001 CA VAL A 121 1703 1355 1646 372 -149 -137 C ATOM 2002 C VAL A 121 15.189 -24.355 -11.688 1.00 14.74 C ANISOU 2002 C VAL A 121 2065 1566 1971 113 -386 -168 C ATOM 2003 O VAL A 121 14.927 -23.295 -11.172 1.00 12.89 O ANISOU 2003 O VAL A 121 1524 1409 1966 232 -207 -481 O ATOM 2004 CB VAL A 121 13.381 -24.200 -13.428 1.00 12.00 C ANISOU 2004 CB VAL A 121 1668 1298 1592 143 -19 -262 C ATOM 2005 CG1 VAL A 121 13.056 -24.119 -14.905 1.00 14.66 C ANISOU 2005 CG1 VAL A 121 2640 1160 1770 76 146 -246 C ATOM 2006 CG2 VAL A 121 12.415 -25.069 -12.705 1.00 14.52 C ANISOU 2006 CG2 VAL A 121 2046 1574 1896 -276 -114 -396 C ATOM 2007 H VAL A 121 14.434 -26.550 -13.248 1.00 13.83 H ATOM 2008 HA VAL A 121 15.431 -24.058 -13.697 1.00 14.83 H ATOM 2009 HB VAL A 121 13.262 -23.296 -13.069 1.00 14.37 H ATOM 2010 HG11 VAL A 121 13.839 -24.350 -15.410 1.00 17.57 H ATOM 2011 HG12 VAL A 121 12.346 -24.734 -15.102 1.00 17.57 H ATOM 2012 HG13 VAL A 121 12.783 -23.223 -15.116 1.00 17.57 H ATOM 2013 HG21 VAL A 121 12.902 -25.726 -12.202 1.00 17.40 H ATOM 2014 HG22 VAL A 121 11.890 -24.526 -12.112 1.00 17.40 H ATOM 2015 HG23 VAL A 121 11.845 -25.502 -13.345 1.00 17.40 H ATOM 2016 N ARG A 122 15.829 -25.304 -11.014 1.00 16.46 N ANISOU 2016 N ARG A 122 2661 1711 1883 347 -866 -344 N ATOM 2017 CA ARG A 122 16.179 -25.116 -9.616 1.00 19.75 C ANISOU 2017 CA ARG A 122 3104 2050 2349 755 -1064 -448 C ATOM 2018 C ARG A 122 17.112 -23.884 -9.387 1.00 21.34 C ANISOU 2018 C ARG A 122 2856 2399 2852 1016 -1166 -670 C ATOM 2019 O ARG A 122 17.069 -23.277 -8.325 1.00 21.31 O ANISOU 2019 O ARG A 122 2898 2305 2895 1242 -1363 -877 O ATOM 2020 CB ARG A 122 16.741 -26.456 -9.095 1.00 24.80 C ANISOU 2020 CB ARG A 122 4002 2656 2767 532 -953 -114 C ATOM 2021 CG ARG A 122 15.634 -27.541 -8.791 1.00 28.47 C ANISOU 2021 CG ARG A 122 4419 3039 3360 323 -594 -105 C ATOM 2022 CD ARG A 122 14.394 -27.810 -9.786 1.00 30.89 C ANISOU 2022 CD ARG A 122 4429 3321 3987 230 -155 10 C ATOM 2023 NE ARG A 122 13.122 -27.089 -9.517 1.00 31.57 N ANISOU 2023 NE ARG A 122 4276 3377 4341 135 130 -46 N ATOM 2024 CZ ARG A 122 11.889 -27.388 -9.993 1.00 32.02 C ANISOU 2024 CZ ARG A 122 4339 3217 4610 42 414 -75 C ATOM 2025 NH1 ARG A 122 10.811 -26.593 -9.711 1.00 28.59 N ANISOU 2025 NH1 ARG A 122 3654 2679 4530 197 576 204 N ATOM 2026 NH2 ARG A 122 11.695 -28.471 -10.753 1.00 34.71 N ANISOU 2026 NH2 ARG A 122 4871 3464 4854 64 493 -173 N ATOM 2027 H ARG A 122 16.070 -26.061 -11.343 1.00 19.73 H ATOM 2028 HA ARG A 122 15.353 -24.942 -9.119 1.00 23.67 H ATOM 2029 HB2 ARG A 122 17.340 -26.824 -9.764 1.00 29.74 H ATOM 2030 HB3 ARG A 122 17.228 -26.291 -8.273 1.00 29.74 H ATOM 2031 HG2 ARG A 122 16.090 -28.391 -8.698 1.00 34.14 H ATOM 2032 HG3 ARG A 122 15.242 -27.311 -7.934 1.00 34.14 H ATOM 2033 HD2 ARG A 122 14.673 -27.567 -10.683 1.00 37.04 H ATOM 2034 HD3 ARG A 122 14.192 -28.758 -9.762 1.00 37.04 H ATOM 2035 HE ARG A 122 13.174 -26.404 -9.000 1.00 37.85 H ATOM 2036 HH11 ARG A 122 10.030 -26.811 -9.998 1.00 34.28 H ATOM 2037 HH12 ARG A 122 10.907 -25.899 -9.213 1.00 34.28 H ATOM 2038 HH21 ARG A 122 10.907 -28.658 -11.043 1.00 41.63 H ATOM 2039 HH22 ARG A 122 12.359 -28.978 -10.957 1.00 41.63 H ATOM 2040 N GLN A 123 17.931 -23.484 -10.348 1.00 19.02 N ANISOU 2040 N GLN A 123 2157 2280 2789 947 -1220 -1081 N ATOM 2041 CA GLN A 123 18.809 -22.313 -10.141 1.00 20.77 C ANISOU 2041 CA GLN A 123 2192 2637 3062 688 -1120 -1036 C ATOM 2042 C GLN A 123 18.072 -21.006 -9.871 1.00 17.92 C ANISOU 2042 C GLN A 123 1620 2338 2849 735 -771 -998 C ATOM 2043 O GLN A 123 18.639 -20.059 -9.291 1.00 19.34 O ANISOU 2043 O GLN A 123 1889 2382 3077 408 -879 -1082 O ATOM 2044 CB GLN A 123 19.662 -22.079 -11.371 1.00 23.16 C ANISOU 2044 CB GLN A 123 2459 3015 3327 561 -767 -1057 C ATOM 2045 CG GLN A 123 18.839 -21.882 -12.616 1.00 25.58 C ANISOU 2045 CG GLN A 123 2900 3394 3423 464 -327 -882 C ATOM 2046 CD GLN A 123 19.680 -21.517 -13.805 1.00 27.38 C ANISOU 2046 CD GLN A 123 3306 3606 3493 -243 -242 -666 C ATOM 2047 OE1 GLN A 123 20.423 -20.549 -13.738 1.00 32.47 O ANISOU 2047 OE1 GLN A 123 4143 4216 3977 -731 100 -536 O ATOM 2048 NE2 GLN A 123 19.533 -22.249 -14.917 1.00 22.60 N ANISOU 2048 NE2 GLN A 123 2497 3102 2986 -136 -446 -661 N ATOM 2049 H GLN A 123 18.006 -23.856 -11.119 1.00 22.80 H ATOM 2050 HA GLN A 123 19.406 -22.490 -9.383 1.00 24.90 H ATOM 2051 HB2 GLN A 123 20.200 -21.283 -11.236 1.00 27.77 H ATOM 2052 HB3 GLN A 123 20.236 -22.849 -11.509 1.00 27.77 H ATOM 2053 HG2 GLN A 123 18.371 -22.707 -12.820 1.00 30.67 H ATOM 2054 HG3 GLN A 123 18.203 -21.166 -12.465 1.00 30.67 H ATOM 2055 HE21 GLN A 123 18.973 -22.901 -14.933 1.00 27.09 H ATOM 2056 HE22 GLN A 123 19.999 -22.066 -15.617 1.00 27.09 H ATOM 2057 N TYR A 124 16.829 -20.898 -10.285 1.00 14.62 N ANISOU 2057 N TYR A 124 1281 1886 2388 461 -720 -621 N ATOM 2058 CA TYR A 124 16.118 -19.659 -10.090 1.00 14.15 C ANISOU 2058 CA TYR A 124 1673 1734 1970 355 -534 -486 C ATOM 2059 C TYR A 124 15.721 -19.468 -8.635 1.00 13.94 C ANISOU 2059 C TYR A 124 1758 1732 1808 86 -893 -388 C ATOM 2060 O TYR A 124 15.548 -18.322 -8.228 1.00 15.70 O ANISOU 2060 O TYR A 124 2370 1785 1808 225 -344 -569 O ATOM 2061 CB TYR A 124 14.893 -19.571 -10.967 1.00 14.25 C ANISOU 2061 CB TYR A 124 1897 1528 1991 386 -548 -432 C ATOM 2062 CG TYR A 124 15.312 -19.616 -12.418 1.00 13.21 C ANISOU 2062 CG TYR A 124 1709 1398 1912 390 -613 -130 C ATOM 2063 CD1 TYR A 124 15.790 -18.510 -13.035 1.00 16.66 C ANISOU 2063 CD1 TYR A 124 2869 1506 1954 153 -734 179 C ATOM 2064 CD2 TYR A 124 15.210 -20.758 -13.167 1.00 14.45 C ANISOU 2064 CD2 TYR A 124 1740 1668 2084 -169 -332 -126 C ATOM 2065 CE1 TYR A 124 16.209 -18.563 -14.380 1.00 16.89 C ANISOU 2065 CE1 TYR A 124 2665 1661 2091 135 -592 268 C ATOM 2066 CE2 TYR A 124 15.582 -20.789 -14.497 1.00 14.46 C ANISOU 2066 CE2 TYR A 124 1504 1834 2157 -86 -243 144 C ATOM 2067 CZ TYR A 124 16.118 -19.704 -15.079 1.00 16.25 C ANISOU 2067 CZ TYR A 124 1918 2053 2205 263 -474 234 C ATOM 2068 OH TYR A 124 16.562 -19.730 -16.386 1.00 18.22 O ANISOU 2068 OH TYR A 124 1946 2388 2589 237 -372 324 O ATOM 2069 H TYR A 124 16.379 -21.518 -10.676 1.00 17.52 H ATOM 2070 HA TYR A 124 16.711 -18.918 -10.335 1.00 16.96 H ATOM 2071 HB2 TYR A 124 14.308 -20.324 -10.789 1.00 17.08 H ATOM 2072 HB3 TYR A 124 14.432 -18.733 -10.803 1.00 17.08 H ATOM 2073 HD1 TYR A 124 15.889 -17.721 -12.553 1.00 19.96 H ATOM 2074 HD2 TYR A 124 14.869 -21.529 -12.774 1.00 17.32 H ATOM 2075 HE1 TYR A 124 16.564 -17.804 -14.782 1.00 20.24 H ATOM 2076 HE2 TYR A 124 15.536 -21.589 -14.969 1.00 17.33 H ATOM 2077 HH TYR A 124 15.945 -19.929 -16.888 1.00 21.84 H ATOM 2078 N VAL A 125 15.644 -20.523 -7.822 1.00 13.18 N ANISOU 2078 N VAL A 125 1816 1586 1607 151 -657 -158 N ATOM 2079 CA VAL A 125 15.284 -20.386 -6.414 1.00 14.70 C ANISOU 2079 CA VAL A 125 2087 1704 1796 121 -848 -234 C ATOM 2080 C VAL A 125 16.377 -20.836 -5.469 1.00 16.07 C ANISOU 2080 C VAL A 125 2248 1841 2015 93 -1058 -155 C ATOM 2081 O VAL A 125 16.224 -20.769 -4.220 1.00 16.49 O ANISOU 2081 O VAL A 125 2614 1709 1944 307 -1232 -235 O ATOM 2082 CB VAL A 125 13.969 -21.122 -6.028 1.00 15.34 C ANISOU 2082 CB VAL A 125 2188 1823 1818 210 -737 -145 C ATOM 2083 CG1 VAL A 125 12.765 -20.521 -6.703 1.00 15.73 C ANISOU 2083 CG1 VAL A 125 2115 1972 1890 142 -713 -230 C ATOM 2084 CG2 VAL A 125 14.049 -22.602 -6.303 1.00 15.53 C ANISOU 2084 CG2 VAL A 125 2145 1729 2025 -1 -705 282 C ATOM 2085 H VAL A 125 15.797 -21.334 -8.065 1.00 15.79 H ATOM 2086 HA VAL A 125 15.134 -19.434 -6.238 1.00 17.62 H ATOM 2087 HB VAL A 125 13.837 -21.018 -5.062 1.00 18.38 H ATOM 2088 HG11 VAL A 125 13.049 -19.785 -7.251 1.00 18.85 H ATOM 2089 HG12 VAL A 125 12.344 -21.191 -7.246 1.00 18.85 H ATOM 2090 HG13 VAL A 125 12.153 -20.212 -6.031 1.00 18.85 H ATOM 2091 HG21 VAL A 125 14.913 -22.805 -6.669 1.00 18.61 H ATOM 2092 HG22 VAL A 125 13.922 -23.079 -5.480 1.00 18.61 H ATOM 2093 HG23 VAL A 125 13.363 -22.840 -6.930 1.00 18.61 H ATOM 2094 N GLN A 126 17.518 -21.223 -6.006 1.00 17.62 N ANISOU 2094 N GLN A 126 1949 2400 2344 -87 -1164 -14 N ATOM 2095 CA GLN A 126 18.614 -21.728 -5.164 1.00 21.59 C ANISOU 2095 CA GLN A 126 2359 3014 2829 -89 -1336 177 C ATOM 2096 C GLN A 126 19.078 -20.636 -4.168 1.00 21.40 C ANISOU 2096 C GLN A 126 2314 2885 2933 -215 -1436 250 C ATOM 2097 O GLN A 126 19.335 -19.489 -4.533 1.00 22.84 O ANISOU 2097 O GLN A 126 2368 3050 3262 66 -1411 289 O ATOM 2098 CB GLN A 126 19.771 -22.242 -6.032 1.00 25.00 C ANISOU 2098 CB GLN A 126 2645 3601 3254 172 -1639 273 C ATOM 2099 CG GLN A 126 20.844 -23.049 -5.284 1.00 30.77 C ANISOU 2099 CG GLN A 126 3711 4267 3715 337 -1170 307 C ATOM 2100 CD GLN A 126 21.641 -23.962 -6.234 1.00 37.38 C ANISOU 2100 CD GLN A 126 4979 4984 4240 274 -474 379 C ATOM 2101 OE1 GLN A 126 21.201 -24.281 -7.380 1.00 40.29 O ANISOU 2101 OE1 GLN A 126 5381 5355 4573 259 61 481 O ATOM 2102 NE2 GLN A 126 22.823 -24.408 -5.758 1.00 39.73 N ANISOU 2102 NE2 GLN A 126 5571 5144 4380 268 -295 388 N ATOM 2103 H GLN A 126 17.693 -21.209 -6.848 1.00 21.11 H ATOM 2104 HA GLN A 126 18.281 -22.485 -4.638 1.00 25.88 H ATOM 2105 HB2 GLN A 126 19.406 -22.815 -6.724 1.00 29.98 H ATOM 2106 HB3 GLN A 126 20.212 -21.480 -6.440 1.00 29.98 H ATOM 2107 HG2 GLN A 126 21.465 -22.437 -4.860 1.00 36.90 H ATOM 2108 HG3 GLN A 126 20.415 -23.607 -4.616 1.00 36.90 H ATOM 2109 HE21 GLN A 126 23.083 -24.178 -4.971 1.00 47.65 H ATOM 2110 HE22 GLN A 126 23.315 -24.922 -6.241 1.00 47.65 H ATOM 2111 N GLY A 127 19.160 -20.994 -2.894 1.00 20.29 N ANISOU 2111 N GLY A 127 2378 2546 2785 -421 -1454 414 N ATOM 2112 CA GLY A 127 19.617 -20.084 -1.852 1.00 19.97 C ANISOU 2112 CA GLY A 127 2726 2376 2485 -401 -1512 331 C ATOM 2113 C GLY A 127 18.593 -19.077 -1.345 1.00 20.66 C ANISOU 2113 C GLY A 127 3090 2317 2442 -233 -1412 171 C ATOM 2114 O GLY A 127 18.878 -18.296 -0.427 1.00 22.00 O ANISOU 2114 O GLY A 127 3333 2355 2670 -136 -1454 -25 O ATOM 2115 H GLY A 127 18.952 -21.776 -2.602 1.00 24.32 H ATOM 2116 HA2 GLY A 127 19.915 -20.608 -1.092 1.00 23.94 H ATOM 2117 HA3 GLY A 127 20.379 -19.586 -2.187 1.00 23.94 H ATOM 2118 N CYS A 128 17.377 -19.116 -1.815 1.00 19.46 N ANISOU 2118 N CYS A 128 3414 2116 1864 -175 -1363 118 N ATOM 2119 CA CYS A 128 16.416 -18.084 -1.450 1.00 19.06 C ANISOU 2119 CA CYS A 128 3713 1894 1636 -84 -1198 -59 C ATOM 2120 C CYS A 128 15.581 -18.436 -0.238 1.00 20.60 C ANISOU 2120 C CYS A 128 3749 2388 1692 -90 -1100 58 C ATOM 2121 O CYS A 128 14.781 -17.651 0.267 1.00 22.29 O ANISOU 2121 O CYS A 128 3849 2905 1713 -50 -1033 -12 O ATOM 2122 CB CYS A 128 15.469 -17.784 -2.623 1.00 18.20 C ANISOU 2122 CB CYS A 128 3758 1592 1563 176 -1031 70 C ATOM 2123 SG CYS A 128 16.258 -17.308 -4.182 1.00 18.06 S ANISOU 2123 SG CYS A 128 3678 1541 1645 242 -1010 -82 S ATOM 2124 H CYS A 128 17.072 -19.721 -2.345 1.00 23.33 H ATOM 2125 HA CYS A 128 16.905 -17.260 -1.245 1.00 22.85 H ATOM 2126 HB2 CYS A 128 14.940 -18.578 -2.798 1.00 21.81 H ATOM 2127 HB3 CYS A 128 14.883 -17.057 -2.363 1.00 21.81 H ATOM 2128 N GLY A 129 15.731 -19.674 0.181 1.00 22.05 N ANISOU 2128 N GLY A 129 4021 2487 1870 -239 -938 206 N ATOM 2129 CA GLY A 129 15.004 -20.125 1.333 1.00 22.66 C ANISOU 2129 CA GLY A 129 4124 2699 1786 -197 -813 197 C ATOM 2130 C GLY A 129 13.512 -20.216 1.182 1.00 24.00 C ANISOU 2130 C GLY A 129 4211 2977 1931 -39 -621 396 C ATOM 2131 O GLY A 129 12.786 -19.975 2.140 1.00 28.17 O ANISOU 2131 O GLY A 129 4886 3757 2059 24 -557 126 O ATOM 2132 H GLY A 129 16.242 -20.264 -0.181 1.00 26.44 H ATOM 2133 HA2 GLY A 129 15.329 -21.005 1.580 1.00 27.16 H ATOM 2134 HA3 GLY A 129 15.188 -19.523 2.071 1.00 27.16 H ATOM 2135 N VAL A 130 13.043 -20.547 -0.027 1.00 22.33 N ANISOU 2135 N VAL A 130 3624 2672 2189 -179 -947 597 N ATOM 2136 CA VAL A 130 11.616 -20.681 -0.260 1.00 24.05 C ANISOU 2136 CA VAL A 130 3836 2627 2675 -116 -550 248 C ATOM 2137 C VAL A 130 11.198 -22.129 -0.416 1.00 28.80 C ANISOU 2137 C VAL A 130 4222 3145 3575 -195 -332 470 C ATOM 2138 O VAL A 130 9.992 -22.412 -0.519 1.00 31.90 O ANISOU 2138 O VAL A 130 4591 3597 3931 -206 -66 682 O ATOM 2139 CB VAL A 130 11.177 -19.886 -1.511 1.00 22.13 C ANISOU 2139 CB VAL A 130 3709 2346 2354 255 -318 -14 C ATOM 2140 CG1 VAL A 130 11.380 -18.427 -1.256 1.00 21.90 C ANISOU 2140 CG1 VAL A 130 3621 2391 2307 426 12 40 C ATOM 2141 CG2 VAL A 130 11.992 -20.268 -2.745 1.00 22.24 C ANISOU 2141 CG2 VAL A 130 3855 2270 2325 121 -270 -156 C ATOM 2142 OXT VAL A 130 12.068 -22.997 -0.470 1.00 31.14 O ANISOU 2142 OXT VAL A 130 4578 3318 3936 -138 -299 349 O ATOM 2143 H VAL A 130 13.532 -20.696 -0.719 1.00 26.77 H ATOM 2144 HA VAL A 130 11.137 -20.313 0.512 1.00 28.84 H ATOM 2145 HB VAL A 130 10.227 -20.047 -1.694 1.00 26.53 H ATOM 2146 HG11 VAL A 130 11.107 -17.933 -2.032 1.00 26.25 H ATOM 2147 HG12 VAL A 130 10.851 -18.166 -0.499 1.00 26.25 H ATOM 2148 HG13 VAL A 130 12.310 -18.268 -1.076 1.00 26.25 H ATOM 2149 HG21 VAL A 130 11.685 -19.752 -3.494 1.00 26.66 H ATOM 2150 HG22 VAL A 130 12.919 -20.083 -2.577 1.00 26.66 H ATOM 2151 HG23 VAL A 130 11.871 -21.204 -2.921 1.00 26.66 H TER 2152 VAL A 130 HETATM 2153 S SO4 A 201 18.493 -26.808 -19.227 1.00 18.40 S ANISOU 2153 S SO4 A 201 1699 2178 3115 419 295 840 S HETATM 2154 O1 SO4 A 201 19.893 -26.944 -19.472 1.00 18.28 O ANISOU 2154 O1 SO4 A 201 1524 2172 3249 80 210 861 O HETATM 2155 O2 SO4 A 201 17.780 -27.407 -20.372 1.00 24.23 O ANISOU 2155 O2 SO4 A 201 2732 3150 3325 324 54 556 O HETATM 2156 O3 SO4 A 201 18.064 -27.468 -17.997 1.00 17.59 O ANISOU 2156 O3 SO4 A 201 1717 2181 2785 860 505 822 O HETATM 2157 O4 SO4 A 201 18.061 -25.421 -19.188 1.00 19.78 O ANISOU 2157 O4 SO4 A 201 1906 2148 3462 459 164 608 O HETATM 2158 S SO4 A 202 -11.394 -2.204 -32.061 1.00 28.11 S ANISOU 2158 S SO4 A 202 3427 3753 3502 671 82 -534 S HETATM 2159 O1 SO4 A 202 -10.264 -2.091 -33.002 1.00 30.69 O ANISOU 2159 O1 SO4 A 202 3755 4029 3876 311 468 -406 O HETATM 2160 O2 SO4 A 202 -12.613 -1.698 -32.650 1.00 29.00 O ANISOU 2160 O2 SO4 A 202 3493 3952 3573 535 34 -106 O HETATM 2161 O3 SO4 A 202 -11.589 -3.605 -31.809 1.00 22.98 O ANISOU 2161 O3 SO4 A 202 2617 3159 2954 655 -582 -901 O HETATM 2162 O4 SO4 A 202 -11.200 -1.654 -30.708 1.00 31.81 O ANISOU 2162 O4 SO4 A 202 4240 3989 3857 888 73 -547 O HETATM 2163 S SO4 A 203 12.549 -14.467 -25.561 1.00 29.07 S ANISOU 2163 S SO4 A 203 4714 3545 2786 -121 148 -964 S HETATM 2164 O1 SO4 A 203 13.346 -14.877 -26.733 1.00 28.77 O ANISOU 2164 O1 SO4 A 203 4534 3754 2644 -41 87 -923 O HETATM 2165 O2 SO4 A 203 11.123 -14.747 -25.735 1.00 31.32 O ANISOU 2165 O2 SO4 A 203 4914 4017 2971 -224 239 -927 O HETATM 2166 O3 SO4 A 203 12.949 -15.002 -24.229 1.00 31.26 O ANISOU 2166 O3 SO4 A 203 4947 3826 3105 -234 307 -574 O HETATM 2167 O4 SO4 A 203 12.704 -13.012 -25.445 1.00 30.77 O ANISOU 2167 O4 SO4 A 203 4963 3487 3241 -157 -87 -747 O HETATM 2168 O HOH A 301 5.755 -26.811 -25.784 1.00 32.48 O ANISOU 2168 O HOH A 301 4143 3927 4271 -1224 231 326 O HETATM 2169 O HOH A 302 13.619 -28.164 -12.201 1.00 22.96 O ANISOU 2169 O HOH A 302 3993 1860 2872 107 1144 355 O HETATM 2170 O HOH A 303 17.215 -8.696 -13.607 1.00 29.60 O ANISOU 2170 O HOH A 303 3082 4852 3311 -298 816 -1563 O HETATM 2171 O HOH A 304 20.561 -28.614 -10.716 1.00 30.45 O ANISOU 2171 O HOH A 304 3427 4540 3604 -71 -149 -261 O HETATM 2172 O HOH A 305 8.575 -24.427 -1.740 1.00 32.09 O ANISOU 2172 O HOH A 305 4184 3956 4054 366 -1053 -489 O HETATM 2173 O HOH A 306 20.803 -18.120 1.166 1.00 24.71 O ANISOU 2173 O HOH A 306 2700 3530 3157 -206 -1132 202 O HETATM 2174 O BHOH A 307 15.037 -15.160 0.075 0.34 21.10 O ANISOU 2174 O BHOH A 307 3602 1224 3192 172 197 -249 O HETATM 2175 O HOH A 308 6.879 -11.960 -24.029 1.00 34.70 O ANISOU 2175 O HOH A 308 5448 3926 3810 -376 -582 -171 O HETATM 2176 O HOH A 309 1.817 -1.526 -35.185 1.00 24.65 O ANISOU 2176 O HOH A 309 3885 3299 2183 191 -949 -178 O HETATM 2177 O HOH A 310 11.530 -25.825 -7.366 1.00 28.71 O ANISOU 2177 O HOH A 310 5340 1898 3670 -434 560 22 O HETATM 2178 O HOH A 311 7.338 -0.218 -11.433 1.00 19.37 O ANISOU 2178 O HOH A 311 3997 1495 1869 158 -266 -220 O HETATM 2179 O HOH A 312 -3.354 -20.259 -19.615 1.00 23.92 O ANISOU 2179 O HOH A 312 3417 2561 3110 -334 -536 -20 O HETATM 2180 O HOH A 313 10.005 -26.413 -15.938 1.00 14.91 O ANISOU 2180 O HOH A 313 2102 1778 1784 -325 505 -311 O HETATM 2181 O HOH A 314 -0.939 -10.525 -28.782 1.00 20.63 O ANISOU 2181 O HOH A 314 4218 1991 1629 -208 -530 -45 O HETATM 2182 O HOH A 315 2.219 -22.589 -1.580 1.00 30.31 O ANISOU 2182 O HOH A 315 4016 4673 2828 392 471 -1354 O HETATM 2183 O HOH A 316 15.059 -4.653 -5.872 1.00 30.85 O ANISOU 2183 O HOH A 316 4166 3297 4259 -1075 -1004 373 O HETATM 2184 O HOH A 317 -1.698 -20.424 -3.418 1.00 27.64 O ANISOU 2184 O HOH A 317 2599 3889 4016 -971 1281 66 O HETATM 2185 O HOH A 318 17.933 -8.542 -10.734 1.00 19.23 O ANISOU 2185 O HOH A 318 1269 3024 3013 -148 23 -475 O HETATM 2186 O HOH A 319 17.159 -24.005 -16.862 1.00 23.16 O ANISOU 2186 O HOH A 319 2489 2079 4230 336 257 -307 O HETATM 2187 O HOH A 320 -0.435 -1.637 -27.265 1.00 13.69 O ANISOU 2187 O HOH A 320 2436 1469 1296 315 -352 -194 O HETATM 2188 O HOH A 321 -0.798 -17.522 -25.529 1.00 30.98 O ANISOU 2188 O HOH A 321 4639 4812 2318 817 -868 -8 O HETATM 2189 O HOH A 322 11.272 -6.202 -1.362 1.00 40.30 O ANISOU 2189 O HOH A 322 5344 4720 5250 285 729 -412 O HETATM 2190 O HOH A 323 2.169 -6.816 -2.688 1.00 25.77 O ANISOU 2190 O HOH A 323 3346 3473 2972 -1103 329 171 O HETATM 2191 O HOH A 324 11.181 1.874 -8.098 1.00 14.61 O ANISOU 2191 O HOH A 324 2024 1719 1808 -110 -160 -74 O HETATM 2192 O HOH A 325 -7.773 -5.828 -23.166 1.00 22.67 O ANISOU 2192 O HOH A 325 2866 3699 2047 -1410 -7 -263 O HETATM 2193 O HOH A 326 8.220 -19.100 -28.799 1.00 17.31 O ANISOU 2193 O HOH A 326 1785 2363 2430 282 400 155 O HETATM 2194 O HOH A 327 5.702 -10.518 -27.755 1.00 40.31 O ANISOU 2194 O HOH A 327 5155 4652 5509 493 -331 195 O HETATM 2195 O HOH A 328 4.321 -6.350 -13.504 1.00 11.09 O ANISOU 2195 O HOH A 328 1699 1259 1256 -95 31 52 O HETATM 2196 O HOH A 329 14.383 -13.204 -22.827 1.00 27.78 O ANISOU 2196 O HOH A 329 2811 4706 3040 -311 -282 923 O HETATM 2197 O HOH A 330 -1.388 -0.117 -30.304 1.00 21.38 O ANISOU 2197 O HOH A 330 4111 2217 1795 1061 -4 -491 O HETATM 2198 O HOH A 331 3.012 0.400 -26.437 1.00 22.12 O ANISOU 2198 O HOH A 331 4101 2077 2226 -683 122 -116 O HETATM 2199 O HOH A 332 11.859 -0.876 -12.992 1.00 16.15 O ANISOU 2199 O HOH A 332 2732 2092 1311 -989 142 -12 O HETATM 2200 O HOH A 333 -2.923 -1.511 -7.801 1.00 28.41 O ANISOU 2200 O HOH A 333 2899 3499 4398 -806 -658 654 O HETATM 2201 O HOH A 334 14.891 -21.875 -2.120 1.00 25.89 O ANISOU 2201 O HOH A 334 4405 2604 2827 -247 -926 50 O HETATM 2202 O HOH A 335 5.920 -15.427 -23.884 1.00 19.38 O ANISOU 2202 O HOH A 335 3214 1949 2199 467 -904 -515 O HETATM 2203 O HOH A 336 -6.537 -14.006 -9.809 1.00 27.22 O ANISOU 2203 O HOH A 336 2304 2677 5361 -239 1540 461 O HETATM 2204 O HOH A 337 7.708 -9.468 -24.274 1.00 19.48 O ANISOU 2204 O HOH A 337 3931 1934 1535 -177 60 -132 O HETATM 2205 O HOH A 338 2.095 1.285 -23.855 1.00 18.21 O ANISOU 2205 O HOH A 338 2663 1818 2439 297 492 75 O HETATM 2206 O HOH A 339 -3.727 -2.987 -37.838 1.00 13.20 O ANISOU 2206 O HOH A 339 1306 1903 1806 -56 -288 245 O HETATM 2207 O HOH A 340 -7.454 -1.816 -26.201 1.00 15.85 O ANISOU 2207 O HOH A 340 2538 1635 1849 361 -512 -229 O HETATM 2208 O HOH A 341 -8.495 -10.389 -28.381 1.00 22.62 O ANISOU 2208 O HOH A 341 2810 2404 3380 -374 -1107 -447 O HETATM 2209 O HOH A 342 -5.938 1.259 -19.036 1.00 13.11 O ANISOU 2209 O HOH A 342 2244 1284 1453 527 -198 119 O HETATM 2210 O HOH A 343 3.767 -4.955 -11.187 1.00 14.83 O ANISOU 2210 O HOH A 343 2108 1991 1536 -483 365 -432 O HETATM 2211 O HOH A 344 2.752 -11.532 -26.103 1.00 29.52 O ANISOU 2211 O HOH A 344 4556 2203 4458 418 -766 -1132 O HETATM 2212 O HOH A 345 -2.174 -10.611 -5.551 1.00 27.23 O ANISOU 2212 O HOH A 345 4046 2851 3449 -563 19 470 O HETATM 2213 O HOH A 346 0.547 -7.005 -39.189 1.00 18.65 O ANISOU 2213 O HOH A 346 2208 2532 2347 374 231 156 O HETATM 2214 O HOH A 347 15.484 -11.492 -19.696 1.00 32.14 O ANISOU 2214 O HOH A 347 4035 4403 3773 -642 1132 -203 O HETATM 2215 O HOH A 348 -1.513 -24.961 -14.509 1.00 18.31 O ANISOU 2215 O HOH A 348 1758 3277 1920 427 97 654 O HETATM 2216 O HOH A 349 -0.314 -4.213 -7.403 1.00 15.26 O ANISOU 2216 O HOH A 349 2141 1593 2062 157 55 -201 O HETATM 2217 O HOH A 350 17.438 -11.038 -0.941 1.00 27.41 O ANISOU 2217 O HOH A 350 4334 3807 2276 222 -817 160 O HETATM 2218 O HOH A 351 17.811 -4.088 -8.754 1.00 27.28 O ANISOU 2218 O HOH A 351 2395 4146 3823 -732 -1224 859 O HETATM 2219 O HOH A 352 8.816 -7.277 -2.140 1.00 28.73 O ANISOU 2219 O HOH A 352 4682 2446 3787 -495 1077 -1243 O HETATM 2220 O HOH A 353 -6.100 -3.353 -24.371 1.00 13.76 O ANISOU 2220 O HOH A 353 2116 1502 1611 274 -549 -292 O HETATM 2221 O HOH A 354 15.830 -22.000 -17.816 1.00 21.14 O ANISOU 2221 O HOH A 354 3061 2640 2332 482 -280 -587 O HETATM 2222 O AHOH A 355 -4.243 -24.741 -14.523 0.50 16.27 O ANISOU 2222 O AHOH A 355 1627 1533 3022 254 -274 182 O HETATM 2223 O HOH A 356 7.626 -4.399 -4.434 1.00 27.23 O ANISOU 2223 O HOH A 356 3976 3093 3277 -658 -142 -336 O HETATM 2224 O HOH A 357 6.039 -30.535 -19.928 1.00 17.96 O ANISOU 2224 O HOH A 357 2703 2249 1870 -609 248 -303 O HETATM 2225 O HOH A 358 10.526 -29.873 -24.194 1.00 36.62 O ANISOU 2225 O HOH A 358 4583 5224 4106 374 687 463 O HETATM 2226 O HOH A 359 19.094 -10.804 -8.999 1.00 28.55 O ANISOU 2226 O HOH A 359 3422 2936 4490 -957 1552 -200 O HETATM 2227 O HOH A 360 4.645 -12.353 -22.964 1.00 24.63 O ANISOU 2227 O HOH A 360 4177 2382 2799 -158 221 -626 O HETATM 2228 O HOH A 361 3.311 -19.472 -2.285 1.00 18.99 O ANISOU 2228 O HOH A 361 3869 2191 1157 -617 -164 -41 O HETATM 2229 O HOH A 362 9.423 -0.051 -4.454 1.00 30.31 O ANISOU 2229 O HOH A 362 4540 2929 4049 -1216 -2012 -18 O HETATM 2230 O HOH A 363 1.156 -5.113 -10.247 1.00 11.18 O ANISOU 2230 O HOH A 363 1607 1227 1413 7 -182 -95 O HETATM 2231 O HOH A 364 13.732 -5.503 -18.544 1.00 24.47 O ANISOU 2231 O HOH A 364 4354 2226 2717 -810 1297 -22 O HETATM 2232 O HOH A 365 18.801 -24.761 -12.836 1.00 31.12 O ANISOU 2232 O HOH A 365 3252 3778 4795 376 -904 -2414 O HETATM 2233 O HOH A 366 -8.037 -13.731 -22.974 1.00 33.76 O ANISOU 2233 O HOH A 366 4564 2800 5464 -730 324 -891 O HETATM 2234 O HOH A 367 6.968 2.547 -5.950 1.00 27.03 O ANISOU 2234 O HOH A 367 3708 2904 3657 -874 564 -857 O HETATM 2235 O HOH A 368 -6.889 -9.856 -12.294 1.00 33.19 O ANISOU 2235 O HOH A 368 3785 4431 4395 1088 -928 1237 O HETATM 2236 O HOH A 369 8.591 -28.312 -17.117 1.00 23.89 O ANISOU 2236 O HOH A 369 4512 2974 1591 -1883 557 -384 O HETATM 2237 O HOH A 370 -9.972 -3.230 -28.514 1.00 21.94 O ANISOU 2237 O HOH A 370 3866 2304 2166 927 -741 -229 O HETATM 2238 O HOH A 371 7.504 -5.035 -32.721 1.00 24.42 O ANISOU 2238 O HOH A 371 1440 5199 2640 412 -85 730 O HETATM 2239 O HOH A 372 -2.937 1.535 -12.602 1.00 22.48 O ANISOU 2239 O HOH A 372 3284 2885 2372 764 -396 -486 O HETATM 2240 O HOH A 373 -3.208 -13.037 -5.838 1.00 25.45 O ANISOU 2240 O HOH A 373 2643 2133 4895 -278 776 -561 O HETATM 2241 O HOH A 374 1.398 -8.851 -38.607 1.00 30.89 O ANISOU 2241 O HOH A 374 3869 4802 3065 38 205 -511 O HETATM 2242 O HOH A 375 4.827 1.505 -7.826 1.00 19.32 O ANISOU 2242 O HOH A 375 2540 1873 2928 270 42 -579 O HETATM 2243 O HOH A 376 -4.447 -17.145 -4.247 1.00 25.09 O ANISOU 2243 O HOH A 376 2465 3512 3556 -620 905 -359 O HETATM 2244 O HOH A 377 9.475 -12.822 -27.096 1.00 35.53 O ANISOU 2244 O HOH A 377 4582 3885 5033 932 351 -84 O HETATM 2245 O HOH A 378 -0.426 -12.297 -21.762 1.00 20.87 O ANISOU 2245 O HOH A 378 3269 1483 3178 -132 -1265 114 O HETATM 2246 O HOH A 379 -8.162 -2.285 -13.542 1.00 27.40 O ANISOU 2246 O HOH A 379 3612 3440 3359 -31 465 -968 O HETATM 2247 O HOH A 380 11.235 -1.816 -3.387 1.00 29.30 O ANISOU 2247 O HOH A 380 4255 3538 3340 118 -183 -1490 O HETATM 2248 O HOH A 381 0.567 -26.260 -18.515 1.00 22.18 O ANISOU 2248 O HOH A 381 3862 2463 2104 126 466 458 O HETATM 2249 O HOH A 382 -2.648 -14.155 -31.317 1.00 33.36 O ANISOU 2249 O HOH A 382 5010 3717 3948 -509 -53 -468 O HETATM 2250 O HOH A 383 18.346 -15.166 -12.160 1.00 25.81 O ANISOU 2250 O HOH A 383 3478 3788 2541 1742 -721 25 O HETATM 2251 O HOH A 384 3.300 -8.331 -15.485 1.00 10.34 O ANISOU 2251 O HOH A 384 1660 1150 1118 -261 -128 8 O HETATM 2252 O HOH A 385 5.321 -8.033 -33.874 1.00 24.36 O ANISOU 2252 O HOH A 385 3958 3082 2214 612 -1047 -218 O HETATM 2253 O HOH A 386 0.604 5.345 -26.114 1.00 27.86 O ANISOU 2253 O HOH A 386 4157 3947 2484 9 800 390 O HETATM 2254 O HOH A 387 -11.795 -13.087 -18.328 1.00 37.02 O ANISOU 2254 O HOH A 387 4454 3900 5710 -621 -544 140 O HETATM 2255 O HOH A 388 -7.000 -17.843 -6.447 1.00 37.65 O ANISOU 2255 O HOH A 388 4021 4390 5896 371 1201 559 O HETATM 2256 O HOH A 389 -9.604 -4.265 -23.698 1.00 28.46 O ANISOU 2256 O HOH A 389 4343 2521 3950 -77 466 -63 O HETATM 2257 O HOH A 390 -0.753 0.781 -32.885 1.00 28.29 O ANISOU 2257 O HOH A 390 4829 3570 2350 380 -285 -226 O HETATM 2258 O HOH A 391 19.302 -22.845 -19.818 1.00 37.71 O ANISOU 2258 O HOH A 391 4633 5224 4472 -1512 1419 -216 O HETATM 2259 O HOH A 392 15.303 -1.242 -9.399 1.00 21.25 O ANISOU 2259 O HOH A 392 2833 2214 3026 -1004 -471 -184 O HETATM 2260 O HOH A 393 16.012 -6.238 -15.943 1.00 27.75 O ANISOU 2260 O HOH A 393 3487 3676 3379 -1130 24 293 O HETATM 2261 O HOH A 394 8.421 -15.590 1.522 1.00 25.31 O ANISOU 2261 O HOH A 394 3216 3846 2555 1051 281 95 O HETATM 2262 O HOH A 395 17.518 -10.806 -3.707 1.00 27.63 O ANISOU 2262 O HOH A 395 3922 2847 3730 141 -66 -202 O HETATM 2263 O HOH A 396 -10.003 -16.950 -21.024 1.00 29.54 O ANISOU 2263 O HOH A 396 3656 3106 4463 -566 -249 663 O HETATM 2264 O HOH A 397 5.617 -6.341 -4.780 1.00 19.68 O ANISOU 2264 O HOH A 397 3149 1961 2367 431 -1138 -569 O HETATM 2265 O HOH A 398 2.740 -15.849 -25.238 1.00 27.88 O ANISOU 2265 O HOH A 398 5087 2622 2883 1329 460 583 O HETATM 2266 O HOH A 399 10.830 -11.220 -23.299 1.00 29.99 O ANISOU 2266 O HOH A 399 5220 4470 1703 -1311 -471 518 O HETATM 2267 O HOH A 400 8.738 -27.198 -24.531 1.00 24.76 O ANISOU 2267 O HOH A 400 4169 2585 2654 -374 219 -501 O HETATM 2268 O HOH A 401 -3.970 -23.742 -7.079 1.00 23.68 O ANISOU 2268 O HOH A 401 2771 2993 3234 -892 969 401 O HETATM 2269 O HOH A 402 11.176 -28.260 -14.054 1.00 30.97 O ANISOU 2269 O HOH A 402 3146 4121 4499 -768 527 107 O HETATM 2270 O HOH A 403 -2.496 -26.268 -17.184 1.00 23.30 O ANISOU 2270 O HOH A 403 3331 2339 3185 -454 -244 -67 O HETATM 2271 O HOH A 404 11.762 -8.859 1.422 1.00 34.17 O ANISOU 2271 O HOH A 404 4445 4103 4435 -824 -1021 1349 O HETATM 2272 O HOH A 405 10.321 -24.151 -6.689 1.00 16.16 O ANISOU 2272 O HOH A 405 1742 1665 2734 -82 -584 462 O HETATM 2273 O HOH A 406 13.324 -24.447 -2.768 1.00 36.46 O ANISOU 2273 O HOH A 406 4706 4152 4994 -698 -795 -242 O HETATM 2274 O HOH A 407 19.163 -12.649 -5.017 1.00 30.94 O ANISOU 2274 O HOH A 407 3307 3950 4497 -1743 -764 76 O HETATM 2275 O HOH A 408 18.796 -13.346 -14.578 1.00 32.65 O ANISOU 2275 O HOH A 408 3874 4245 4287 -502 291 286 O HETATM 2276 O HOH A 409 4.882 -23.423 -0.297 1.00 32.24 O ANISOU 2276 O HOH A 409 5649 4644 1956 374 -339 -372 O HETATM 2277 O HOH A 410 -4.405 -19.416 -22.148 1.00 26.97 O ANISOU 2277 O HOH A 410 4023 2840 3382 -4 202 -121 O HETATM 2278 O HOH A 411 11.694 -19.282 4.882 1.00 35.85 O ANISOU 2278 O HOH A 411 4534 4032 5056 86 -895 -1121 O HETATM 2279 O HOH A 412 9.024 -2.074 -27.273 1.00 29.89 O ANISOU 2279 O HOH A 412 3575 4521 3263 -480 -1247 625 O HETATM 2280 O HOH A 413 -13.033 -7.254 -22.225 1.00 34.12 O ANISOU 2280 O HOH A 413 3608 5215 4140 -98 676 -471 O HETATM 2281 O HOH A 414 10.282 -6.427 -22.625 1.00 36.22 O ANISOU 2281 O HOH A 414 4666 4513 4583 -270 736 696 O HETATM 2282 O HOH A 415 -11.581 -2.820 -20.256 1.00 34.56 O ANISOU 2282 O HOH A 415 3935 4902 4293 604 301 993 O HETATM 2283 O HOH A 416 21.589 -19.915 -8.433 1.00 27.61 O ANISOU 2283 O HOH A 416 2851 3474 4168 -271 317 541 O HETATM 2284 O BHOH A 417 -7.758 -26.870 -11.616 0.55 18.70 O ANISOU 2284 O BHOH A 417 2777 1779 2547 -474 -49 489 O HETATM 2285 O HOH A 418 -0.685 -4.824 -1.670 1.00 36.25 O ANISOU 2285 O HOH A 418 4629 3583 5563 27 -323 79 O HETATM 2286 O HOH A 419 6.308 -32.013 -22.978 1.00 24.10 O ANISOU 2286 O HOH A 419 2376 4146 2636 -1278 7 -161 O HETATM 2287 O HOH A 420 3.135 0.069 -6.623 1.00 22.56 O ANISOU 2287 O HOH A 420 4108 2287 2175 561 -249 -140 O HETATM 2288 O HOH A 421 8.751 -28.487 -12.396 1.00 15.44 O ANISOU 2288 O HOH A 421 2565 1312 1989 -642 105 -110 O HETATM 2289 O HOH A 422 -9.898 -0.702 -25.541 1.00 31.05 O ANISOU 2289 O HOH A 422 3977 3949 3873 -391 33 -1338 O HETATM 2290 O HOH A 423 -8.252 -11.807 -32.578 1.00 24.54 O ANISOU 2290 O HOH A 423 3600 2857 2866 -65 -293 -775 O HETATM 2291 O HOH A 424 -10.520 1.404 -26.212 1.00 42.34 O ANISOU 2291 O HOH A 424 4977 5677 5432 -218 -80 466 O HETATM 2292 O HOH A 425 20.058 -23.687 -22.302 1.00 19.63 O ANISOU 2292 O HOH A 425 2437 2058 2964 490 84 556 O HETATM 2293 O HOH A 426 -6.455 -1.263 -12.938 1.00 20.73 O ANISOU 2293 O HOH A 426 3046 2681 2148 126 -533 422 O HETATM 2294 O HOH A 427 19.249 -17.996 -11.672 1.00 29.27 O ANISOU 2294 O HOH A 427 3815 3921 3387 122 43 132 O HETATM 2295 O HOH A 428 20.271 -17.334 -14.190 1.00 39.33 O ANISOU 2295 O HOH A 428 4736 4846 5362 -891 75 339 O HETATM 2296 O HOH A 429 8.698 4.880 -18.196 1.00 37.41 O ANISOU 2296 O HOH A 429 4377 5475 4361 -258 121 -960 O HETATM 2297 O HOH A 430 -12.181 -4.274 -12.404 1.00 32.45 O ANISOU 2297 O HOH A 430 3604 3695 5031 -537 -178 -1868 O HETATM 2298 O HOH A 431 -4.247 -26.285 -8.005 1.00 24.21 O ANISOU 2298 O HOH A 431 2066 3344 3787 -256 338 -218 O HETATM 2299 O HOH A 432 -10.290 -2.353 -14.823 1.00 36.59 O ANISOU 2299 O HOH A 432 4556 4202 5146 -503 -445 -862 O HETATM 2300 O HOH A 433 14.917 -2.457 -6.278 1.00 33.49 O ANISOU 2300 O HOH A 433 3675 4342 4709 -635 -1115 987 O HETATM 2301 O HOH A 434 -0.951 -1.675 -6.021 1.00 38.80 O ANISOU 2301 O HOH A 434 4736 5161 4847 1379 -103 -110 O HETATM 2302 O HOH A 435 17.935 -16.319 -28.559 1.00 44.36 O ANISOU 2302 O HOH A 435 5448 4998 6409 -971 354 377 O HETATM 2303 O HOH A 436 17.207 -1.839 -8.833 1.00 32.60 O ANISOU 2303 O HOH A 436 4168 4206 4015 -657 -858 167 O HETATM 2304 O AHOH A 437 -0.486 3.956 -14.047 0.47 17.86 O ANISOU 2304 O AHOH A 437 2547 1650 2588 206 -162 -1152 O HETATM 2305 O HOH A 438 -0.291 -14.946 -21.448 1.00 30.37 O ANISOU 2305 O HOH A 438 5019 2544 3978 909 1199 875 O HETATM 2306 O HOH A 439 -0.040 -12.639 -26.587 1.00 36.01 O ANISOU 2306 O HOH A 439 4299 4194 5191 -173 -1232 -1825 O HETATM 2307 O HOH A 440 -6.813 -15.589 -24.292 1.00 31.98 O ANISOU 2307 O HOH A 440 4262 3333 4555 -723 -228 -227 O HETATM 2308 O HOH A 441 -10.274 -13.774 -8.849 1.00 34.78 O ANISOU 2308 O HOH A 441 4732 3004 5479 -100 1661 -954 O HETATM 2309 O HOH A 442 17.473 -23.387 -0.541 1.00 24.82 O ANISOU 2309 O HOH A 442 4023 2083 3326 435 -559 249 O HETATM 2310 O HOH A 443 14.378 -9.370 -20.756 1.00 42.02 O ANISOU 2310 O HOH A 443 5077 5463 5425 359 1007 242 O HETATM 2311 O HOH A 444 -8.175 -11.783 -11.175 1.00 31.82 O ANISOU 2311 O HOH A 444 2264 5595 4229 1056 924 78 O HETATM 2312 O HOH A 445 1.520 0.707 -3.359 1.00 29.73 O ANISOU 2312 O HOH A 445 4264 3673 3360 579 -368 -372 O HETATM 2313 O HOH A 446 -10.655 -14.439 -22.218 1.00 30.40 O ANISOU 2313 O HOH A 446 3306 3392 4851 -850 877 -552 O HETATM 2314 O HOH A 447 12.186 -0.739 -4.652 1.00 36.52 O ANISOU 2314 O HOH A 447 4619 5014 4245 -385 280 312 O HETATM 2315 O HOH A 448 -1.707 -12.929 -24.256 1.00 28.26 O ANISOU 2315 O HOH A 448 4227 2694 3818 -569 -1609 312 O HETATM 2316 O HOH A 449 16.780 -12.772 -23.825 1.00 37.48 O ANISOU 2316 O HOH A 449 4617 4765 4859 154 -17 311 O HETATM 2317 O HOH A 450 13.063 0.163 -7.036 1.00 25.96 O ANISOU 2317 O HOH A 450 4466 2986 2413 -353 -718 -543 O HETATM 2318 O HOH A 451 4.347 -7.608 -2.259 1.00 30.83 O ANISOU 2318 O HOH A 451 3633 3826 4254 317 -190 -675 O HETATM 2319 O HOH A 452 19.256 -6.047 -10.221 1.00 29.89 O ANISOU 2319 O HOH A 452 2606 4032 4721 145 -375 -333 O HETATM 2320 O HOH A 453 -11.645 -18.972 -22.272 1.00 31.21 O ANISOU 2320 O HOH A 453 3687 4032 4138 -138 -356 -1598 O HETATM 2321 O HOH A 454 -5.661 -13.390 -7.109 1.00 28.79 O ANISOU 2321 O HOH A 454 2424 3941 4575 439 939 569 O HETATM 2322 O HOH A 455 -11.980 -13.075 -21.649 1.00 36.26 O ANISOU 2322 O HOH A 455 4543 5019 4215 -440 68 482 O HETATM 2323 O HOH A 456 20.695 -30.784 -8.768 1.00 27.00 O ANISOU 2323 O HOH A 456 2777 5405 2078 952 -380 -113 O HETATM 2324 O HOH A 457 -10.076 -12.613 -28.508 1.00 32.67 O ANISOU 2324 O HOH A 457 3403 3868 5143 -1966 -580 -219 O HETATM 2325 O HOH A 458 19.964 -13.156 -11.664 1.00 27.57 O ANISOU 2325 O HOH A 458 3436 2850 4190 449 -68 1026 O HETATM 2326 O HOH A 459 7.123 5.325 -6.159 1.00 23.52 O ANISOU 2326 O HOH A 459 3381 2444 3112 -241 -74 -318 O HETATM 2327 O HOH A 460 14.739 -1.950 -0.068 1.00 31.90 O ANISOU 2327 O HOH A 460 3924 3690 4507 831 261 934 O HETATM 2328 O HOH A 461 21.868 -21.944 -23.223 1.00 29.83 O ANISOU 2328 O HOH A 461 3023 4062 4248 -1145 -1431 1480 O HETATM 2329 O HOH A 462 -8.675 -15.820 -26.009 1.00 39.89 O ANISOU 2329 O HOH A 462 4745 4820 5592 -577 -4 -485 O HETATM 2330 O HOH A 463 5.579 6.307 -7.914 1.00 27.19 O ANISOU 2330 O HOH A 463 4004 2594 3732 -313 -497 -841 O HETATM 2331 O HOH A 464 -12.287 -17.636 -24.674 1.00 37.09 O ANISOU 2331 O HOH A 464 4445 5037 4611 -785 -154 -536 O CONECT 105 2123 CONECT 558 1925 CONECT 559 1926 CONECT 1128 1349 CONECT 1278 1543 CONECT 1349 1128 CONECT 1543 1278 CONECT 1925 558 CONECT 1926 559 CONECT 2123 105 CONECT 2153 2154 2155 2156 2157 CONECT 2154 2153 CONECT 2155 2153 CONECT 2156 2153 CONECT 2157 2153 CONECT 2158 2159 2160 2161 2162 CONECT 2159 2158 CONECT 2160 2158 CONECT 2161 2158 CONECT 2162 2158 CONECT 2163 2164 2165 2166 2167 CONECT 2164 2163 CONECT 2165 2163 CONECT 2166 2163 CONECT 2167 2163 MASTER 334 0 3 8 3 0 7 6 1205 1 25 10 END If 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