USER MOD reduce.3.24.130724 H: found=0, std=0, add=274, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 272 hydrogens (26 hets) HEADER STRUCTURAL PROTEIN 13-JUL-16 5LHW TITLE CENTRAL COILED-COIL DOMAIN OF HUMAN STIL COMPND MOL_ID: 1; COMPND 2 MOLECULE: SCL-INTERRUPTING LOCUS PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UNP RESIDUES 726-750; COMPND 5 SYNONYM: TAL-1-INTERRUPTING LOCUS PROTEIN; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: STIL, SIL; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI B; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 37762; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: C41 KEYWDS CENTRIOLE, STRUCTURAL PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR M.A.COTTEE,S.M.LEA REVDAT 2 08-MAR-17 5LHW 1 JRNL REVDAT 1 01-MAR-17 5LHW 0 JRNL AUTH M.A.COTTEE,S.JOHNSON,J.W.RAFF,S.M.LEA JRNL TITL A KEY CENTRIOLE ASSEMBLY INTERACTION INTERFACE BETWEEN HUMAN JRNL TITL 2 PLK4 AND STIL APPEARS TO NOT BE CONSERVED IN FLIES. JRNL REF BIOL OPEN 2017 JRNL REFN ISSN 2046-6390 JRNL PMID 28202467 JRNL DOI 10.1242/BIO.024661 REMARK 2 REMARK 2 RESOLUTION. 0.91 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (1.10.1_2155) 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) : 0.91 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 23.66 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.350 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.0 REMARK 3 NUMBER OF REFLECTIONS : 17638 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.135 REMARK 3 R VALUE (WORKING SET) : 0.135 REMARK 3 FREE R VALUE : 0.139 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.080 REMARK 3 FREE R VALUE TEST SET COUNT : 896 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 23.6714 - 1.6537 0.99 2981 152 0.1506 0.1508 REMARK 3 2 1.6537 - 1.3126 1.00 2825 152 0.1117 0.1147 REMARK 3 3 1.3126 - 1.1467 1.00 2783 161 0.0903 0.1154 REMARK 3 4 1.1467 - 1.0418 1.00 2799 129 0.0992 0.1003 REMARK 3 5 1.0418 - 0.9672 0.99 2724 164 0.1291 0.1430 REMARK 3 6 0.9672 - 0.9101 0.95 2630 138 0.1935 0.2481 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : NULL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.080 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 16.670 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL 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 : 0.020 256 REMARK 3 ANGLE : 1.607 337 REMARK 3 CHIRALITY : 0.106 37 REMARK 3 PLANARITY : 0.009 44 REMARK 3 DIHEDRAL : 16.303 112 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 5LHW COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 13-JUL-16. REMARK 100 THE DEPOSITION ID IS D_1200000761. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 14-APR-15 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 9.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ESRF REMARK 200 BEAMLINE : ID29 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.800 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : PIXEL REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS 6M REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : AIMLESS REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 17643 REMARK 200 RESOLUTION RANGE HIGH (A) : 0.910 REMARK 200 RESOLUTION RANGE LOW (A) : 23.663 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.1 REMARK 200 DATA REDUNDANCY : 11.20 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 24.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 0.91 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.66800 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: POLYALA HELIX BASED ON 5AL6 REMARK 200 REMARK 200 REMARK: LARGE BLOCK REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 33.71 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.86 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 150 NL PROTEIN SOLUTION (58.6 MG/ML REMARK 280 PROTEIN IN 20 MM TRIS PH 7.5, 150 MM NACL, 2 MM TCEP) AND 150 NL REMARK 280 OF MOTHER LIQUOR (7 MM HEPES PH 8.2, 93 MM TRIS PH 9.0, 55.36% V/ REMARK 280 V PEG 550 MME, 10% V/V GLYCEROL), VAPOR DIFFUSION, SITTING DROP, REMARK 280 TEMPERATURE 292K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 42 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -Y+1/2,X+1/2,Z+1/2 REMARK 290 4555 Y+1/2,-X+1/2,Z+1/2 REMARK 290 5555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/2 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 20.15500 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 20.15500 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 14.61500 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 20.15500 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 20.15500 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 14.61500 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 20.15500 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 20.15500 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 14.61500 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 20.15500 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 20.15500 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 14.61500 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 1410 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 4880 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -12.0 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 350 BIOMT1 2 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 29.23000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 902 LIES ON A SPECIAL POSITION. REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 GLY A 1 N CA 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 742 O HOH A 901 1.48 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 911 O HOH A 911 8556 2.05 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 ASP A 730 CB ASP A 730 CG 0.167 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 730 CB - CG - OD1 ANGL. DEV. = 5.6 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue P6G A 801 DBREF 5LHW A 726 750 UNP Q15468 STIL_HUMAN 726 750 SEQADV 5LHW GLY A 1 UNP Q15468 EXPRESSION TAG SEQADV 5LHW GLY A 2 UNP Q15468 EXPRESSION TAG SEQADV 5LHW SER A 3 UNP Q15468 EXPRESSION TAG SEQRES 1 A 28 GLY GLY SER LEU THR GLU GLN ASP ARG GLN LEU ARG LEU SEQRES 2 A 28 LEU GLN ALA GLN ILE GLN ARG LEU LEU GLU ALA GLN SER SEQRES 3 A 28 LEU MET HET P6G A 801 45 HETNAM P6G HEXAETHYLENE GLYCOL HETSYN P6G POLYETHYLENE GLYCOL PEG400 FORMUL 2 P6G C12 H26 O7 FORMUL 3 HOH *16(H2 O) HELIX 1 AA1 SER A 3 GLN A 747 1 23 SITE *** AC1 7 GLN A 729 ARG A 734 GLN A 737 ALA A 738 SITE *** AC1 7 GLN A 741 GLN A 747 SER A 748 CRYST1 40.310 40.310 29.230 90.00 90.00 90.00 P 42 21 2 8 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 0.024808 0.000000 0.000000 0.00000 SCALE2 0.000000 0.024808 0.000000 0.00000 SCALE3 0.000000 0.000000 0.034211 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 SER OG : rot -170:sc= 0.349 USER MOD Single : A 727 THR OG1 : rot 180:sc= 0 USER MOD Single : A 729 GLN : amide:sc= 0.125 K(o=0.12,f=-0.59) USER MOD Single : A 732 GLN : amide:sc= 0.723 K(o=0.72,f=-0.81) USER MOD Single : A 737 GLN : amide:sc= -0.113 K(o=-0.11,f=-2.3!) USER MOD Single : A 739 GLN : amide:sc= 1.04 K(o=1,f=-3.2!) USER MOD Single : A 741 GLN : amide:sc= 1.1 K(o=1.1,f=-0.25) USER MOD Single : A 747 GLN : amide:sc=-0.00696 K(o=-0.007,f=-0.56) USER MOD Single : A 748 SER OG : rot -66:sc= 1.05 USER MOD Single : A 750 MET CE :methyl 153:sc= -0.189 (180deg=-0.46) USER MOD Single : A 801 P6G O1 : rot 17:sc= 0.423 USER MOD Single : A 801 P6G O19 : rot 20:sc= 0.312 USER MOD ----------------------------------------------------------------- ATOM 1 C GLY A 1 4.395 18.903 12.016 1.00 21.46 C ANISOU 1 C GLY A 1 3007 2944 2204 31 -163 284 C ATOM 2 O GLY A 1 3.819 17.802 12.096 1.00 23.38 O ANISOU 2 O GLY A 1 2982 3250 2652 -96 -288 -32 O ATOM 3 N GLY A 2 5.712 19.065 12.227 1.00 18.27 N ANISOU 3 N GLY A 2 2954 2495 1494 -5 145 59 N ATOM 4 CA GLY A 2 6.566 17.980 12.735 1.00 15.96 C ANISOU 4 CA GLY A 2 2749 1940 1374 -46 379 -193 C ATOM 5 C GLY A 2 7.056 18.192 14.148 1.00 14.21 C ANISOU 5 C GLY A 2 2284 1547 1569 -362 556 -259 C ATOM 6 O GLY A 2 7.976 17.535 14.610 1.00 15.39 O ANISOU 6 O GLY A 2 2148 1909 1791 -307 716 -556 O ATOM 0 H GLY A 2 6.131 19.802 12.080 1.00 18.27 H new ATOM 0 HA2 GLY A 2 6.071 17.147 12.696 1.00 15.96 H new ATOM 0 HA3 GLY A 2 7.332 17.883 12.148 1.00 15.96 H new ATOM 10 N SER A 3 6.407 19.079 14.889 1.00 13.35 N ANISOU 10 N SER A 3 2202 1486 1383 -436 487 -226 N ATOM 11 CA SER A 3 6.791 19.344 16.281 1.00 11.84 C ANISOU 11 CA SER A 3 1730 1473 1296 -434 208 -295 C ATOM 12 C SER A 3 6.591 18.067 17.103 1.00 10.17 C ANISOU 12 C SER A 3 1297 1330 1237 -117 168 -298 C ATOM 13 O SER A 3 5.796 17.207 16.741 1.00 10.02 O ANISOU 13 O SER A 3 1380 1350 1078 -200 -1 -221 O ATOM 14 CB SER A 3 5.952 20.482 16.827 1.00 11.35 C ANISOU 14 CB SER A 3 1649 1332 1330 -232 20 -12 C ATOM 15 OG SER A 3 4.582 20.117 16.909 1.00 11.66 O ANISOU 15 OG SER A 3 1556 1345 1529 -152 66 110 O ATOM 0 H SER A 3 5.739 19.542 14.609 1.00 13.35 H new ATOM 0 HA SER A 3 7.724 19.604 16.332 1.00 11.84 H new ATOM 0 HB2 SER A 3 6.276 20.733 17.706 1.00 11.35 H new ATOM 0 HB3 SER A 3 6.048 21.261 16.257 1.00 11.35 H new ATOM 0 HG SER A 3 4.121 20.797 17.083 1.00 11.66 H new ATOM 21 N LEU A 726 7.256 18.012 18.261 1.00 10.82 N ANISOU 21 N LEU A 726 1281 1368 1461 -16 -92 -469 N ATOM 22 CA LEU A 726 6.919 16.963 19.210 1.00 11.14 C ANISOU 22 CA LEU A 726 1675 1295 1261 96 -424 -286 C ATOM 23 C LEU A 726 5.511 17.094 19.716 1.00 10.55 C ANISOU 23 C LEU A 726 1542 1280 1184 -141 -272 -122 C ATOM 24 O LEU A 726 4.867 16.096 20.029 1.00 12.24 O ANISOU 24 O LEU A 726 1855 1436 1359 -290 -321 7 O ATOM 25 CB LEU A 726 7.915 16.913 20.374 1.00 13.52 C ANISOU 25 CB LEU A 726 1831 1546 1759 238 -702 -490 C ATOM 26 CG LEU A 726 9.212 16.292 20.095 1.00 16.57 C ANISOU 26 CG LEU A 726 2158 1888 2248 438 -914 -619 C ATOM 27 CD1 LEU A 726 10.006 16.277 21.351 1.00 16.69 C ANISOU 27 CD1 LEU A 726 2264 1867 2209 339 -890 -205 C ATOM 28 CD2 LEU A 726 8.993 14.835 19.640 1.00 19.33 C ANISOU 28 CD2 LEU A 726 2423 2067 2856 592 -1144 -874 C ATOM 0 H LEU A 726 7.880 18.551 18.505 1.00 10.82 H new ATOM 0 HA LEU A 726 6.980 16.123 18.729 1.00 11.14 H new ATOM 0 HB2 LEU A 726 8.072 17.820 20.679 1.00 13.52 H new ATOM 0 HB3 LEU A 726 7.500 16.434 21.109 1.00 13.52 H new ATOM 0 HG LEU A 726 9.674 16.789 19.402 1.00 16.57 H new ATOM 0 HD11 LEU A 726 10.869 15.868 21.183 1.00 16.69 H new ATOM 0 HD12 LEU A 726 10.134 17.186 21.664 1.00 16.69 H new ATOM 0 HD13 LEU A 726 9.533 15.767 22.027 1.00 16.69 H new ATOM 0 HD21 LEU A 726 9.851 14.421 19.455 1.00 19.33 H new ATOM 0 HD22 LEU A 726 8.541 14.341 20.342 1.00 19.33 H new ATOM 0 HD23 LEU A 726 8.449 14.825 18.837 1.00 19.33 H new ATOM 40 N THR A 727 4.996 18.324 19.793 1.00 10.14 N ANISOU 40 N THR A 727 1485 1280 1090 -75 -31 -160 N ATOM 41 CA THR A 727 3.602 18.509 20.178 1.00 10.66 C ANISOU 41 CA THR A 727 1454 1375 1221 -136 114 -195 C ATOM 42 C THR A 727 2.698 17.727 19.231 1.00 10.59 C ANISOU 42 C THR A 727 1438 1356 1230 -138 127 -161 C ATOM 43 O THR A 727 1.798 17.007 19.652 1.00 11.84 O ANISOU 43 O THR A 727 1571 1499 1428 -300 301 -216 O ATOM 44 CB THR A 727 3.269 20.017 20.153 1.00 11.28 C ANISOU 44 CB THR A 727 1420 1451 1413 -56 222 -275 C ATOM 45 OG1 THR A 727 4.018 20.687 21.161 1.00 12.48 O ANISOU 45 OG1 THR A 727 1697 1588 1459 -42 103 -415 O ATOM 46 CG2 THR A 727 1.772 20.267 20.444 1.00 13.72 C ANISOU 46 CG2 THR A 727 1621 1678 1915 -2 330 -418 C ATOM 0 H THR A 727 5.430 19.048 19.629 1.00 10.14 H new ATOM 0 HA THR A 727 3.455 18.173 21.076 1.00 10.66 H new ATOM 0 HB THR A 727 3.489 20.350 19.269 1.00 11.28 H new ATOM 0 HG1 THR A 727 3.838 21.507 21.146 1.00 12.48 H new ATOM 0 HG21 THR A 727 1.593 21.220 20.422 1.00 13.72 H new ATOM 0 HG22 THR A 727 1.233 19.821 19.772 1.00 13.72 H new ATOM 0 HG23 THR A 727 1.550 19.917 21.321 1.00 13.72 H new ATOM 54 N GLU A 728 2.935 17.898 17.933 1.00 10.13 N ANISOU 54 N GLU A 728 1357 1256 1237 -139 140 -97 N ATOM 55 CA GLU A 728 2.126 17.236 16.951 1.00 10.61 C ANISOU 55 CA GLU A 728 1375 1334 1323 -150 49 -155 C ATOM 56 C GLU A 728 2.392 15.723 16.946 1.00 10.40 C ANISOU 56 C GLU A 728 1373 1257 1322 -191 162 -245 C ATOM 57 O GLU A 728 1.460 14.934 16.844 1.00 11.46 O ANISOU 57 O GLU A 728 1459 1395 1501 -304 162 -231 O ATOM 58 CB GLU A 728 2.328 17.838 15.583 1.00 12.40 C ANISOU 58 CB GLU A 728 1698 1507 1507 -234 -60 -63 C ATOM 59 CG GLU A 728 1.422 17.300 14.510 1.00 17.34 C ANISOU 59 CG GLU A 728 2078 2059 2452 -321 -165 -67 C ATOM 60 CD GLU A 728 -0.086 17.569 14.692 1.00 22.06 C ANISOU 60 CD GLU A 728 2306 2496 3581 -177 -625 -307 C ATOM 61 OE1 GLU A 728 -0.516 18.366 15.571 1.00 25.07 O ANISOU 61 OE1 GLU A 728 2554 2938 4031 182 -450 -538 O ATOM 62 OE2 GLU A 728 -0.798 16.943 13.897 1.00 24.80 O ANISOU 62 OE2 GLU A 728 2562 2674 4186 -432 -934 -261 O ATOM 0 H GLU A 728 3.560 18.394 17.613 1.00 10.13 H new ATOM 0 HA GLU A 728 1.196 17.369 17.192 1.00 10.61 H new ATOM 0 HB2 GLU A 728 2.199 18.797 15.645 1.00 12.40 H new ATOM 0 HB3 GLU A 728 3.248 17.692 15.313 1.00 12.40 H new ATOM 0 HG2 GLU A 728 1.698 17.678 13.660 1.00 17.34 H new ATOM 0 HG3 GLU A 728 1.555 16.341 14.451 1.00 17.34 H new ATOM 69 N GLN A 729 3.657 15.299 17.026 1.00 10.07 N ANISOU 69 N GLN A 729 1427 1217 1180 -225 163 -219 N ATOM 70 CA GLN A 729 3.954 13.871 17.038 1.00 10.11 C ANISOU 70 CA GLN A 729 1486 1209 1145 -203 155 -246 C ATOM 71 C GLN A 729 3.318 13.196 18.232 1.00 10.98 C ANISOU 71 C GLN A 729 1647 1231 1295 -294 323 -271 C ATOM 72 O GLN A 729 2.744 12.108 18.104 1.00 11.44 O ANISOU 72 O GLN A 729 1644 1277 1428 -278 361 -231 O ATOM 73 CB GLN A 729 5.455 13.611 17.016 1.00 9.74 C ANISOU 73 CB GLN A 729 1464 1229 1009 -96 22 -212 C ATOM 74 CG GLN A 729 6.117 14.045 15.738 1.00 10.14 C ANISOU 74 CG GLN A 729 1402 1359 1092 -113 21 -251 C ATOM 75 CD GLN A 729 7.555 13.654 15.733 1.00 11.43 C ANISOU 75 CD GLN A 729 1437 1741 1164 -35 -74 -324 C ATOM 76 OE1 GLN A 729 7.896 12.491 16.097 1.00 13.22 O ANISOU 76 OE1 GLN A 729 1558 2080 1387 256 -135 -300 O ATOM 77 NE2 GLN A 729 8.397 14.561 15.296 1.00 15.02 N ANISOU 77 NE2 GLN A 729 1663 2179 1864 -172 12 99 N ATOM 0 H GLN A 729 4.344 15.815 17.073 1.00 10.07 H new ATOM 0 HA GLN A 729 3.574 13.490 16.231 1.00 10.11 H new ATOM 0 HB2 GLN A 729 5.868 14.076 17.760 1.00 9.74 H new ATOM 0 HB3 GLN A 729 5.614 12.664 17.150 1.00 9.74 H new ATOM 0 HG2 GLN A 729 5.665 13.642 14.981 1.00 10.14 H new ATOM 0 HG3 GLN A 729 6.038 15.006 15.637 1.00 10.14 H new ATOM 0 HE21 GLN A 729 8.110 15.337 15.061 1.00 15.02 H new ATOM 0 HE22 GLN A 729 9.236 14.379 15.244 1.00 15.02 H new ATOM 86 N AASP A 730 3.377 13.820 19.390 0.49 12.16 N ANISOU 86 N AASP A 730 1958 1231 1432 -394 334 -88 N ATOM 87 N BASP A 730 3.499 13.791 19.408 0.51 12.38 N ANISOU 87 N BASP A 730 2037 1430 1237 -425 429 -359 N ATOM 88 CA AASP A 730 2.769 13.229 20.568 0.49 13.89 C ANISOU 88 CA AASP A 730 2411 1443 1425 -502 493 -77 C ATOM 89 CA BASP A 730 2.903 13.268 20.625 0.51 14.67 C ANISOU 89 CA BASP A 730 2443 1666 1465 -520 585 -364 C ATOM 90 C AASP A 730 1.285 13.113 20.393 0.49 14.16 C ANISOU 90 C AASP A 730 2384 1519 1476 -561 834 -376 C ATOM 91 C BASP A 730 1.363 13.141 20.454 0.51 14.37 C ANISOU 91 C BASP A 730 2407 1594 1459 -611 877 -520 C ATOM 92 O AASP A 730 0.669 12.099 20.758 0.49 14.65 O ANISOU 92 O AASP A 730 2549 1436 1581 -665 877 -293 O ATOM 93 O BASP A 730 0.784 12.109 20.827 0.51 15.31 O ANISOU 93 O BASP A 730 2577 1559 1680 -662 957 -421 O ATOM 94 CB AASP A 730 3.004 14.123 21.760 0.49 14.29 C ANISOU 94 CB AASP A 730 2760 1675 997 -596 211 79 C ATOM 95 CB BASP A 730 3.294 14.137 21.871 0.51 15.69 C ANISOU 95 CB BASP A 730 2664 2036 1263 -661 339 -418 C ATOM 96 CG AASP A 730 2.044 13.834 22.904 0.49 15.61 C ANISOU 96 CG AASP A 730 2955 1909 1068 -575 -284 53 C ATOM 97 CG BASP A 730 4.876 14.058 22.431 0.51 16.71 C ANISOU 97 CG BASP A 730 2628 2280 1441 -667 -14 -328 C ATOM 98 OD1AASP A 730 2.240 12.828 23.551 0.49 17.84 O ANISOU 98 OD1AASP A 730 3130 2101 1549 -386 -283 43 O ATOM 99 OD1BASP A 730 5.684 13.128 22.136 0.51 17.30 O ANISOU 99 OD1BASP A 730 2636 2474 1464 -391 -176 -253 O ATOM 100 OD2AASP A 730 1.048 14.552 23.146 0.49 16.51 O ANISOU 100 OD2AASP A 730 2880 2057 1337 -747 -238 209 O ATOM 101 OD2BASP A 730 5.241 14.965 23.247 0.51 17.40 O ANISOU 101 OD2BASP A 730 2611 2374 1628 -883 -305 -371 O ATOM 0 H AASP A 730 3.760 14.579 19.518 0.49 12.38 H new ATOM 0 H BASP A 730 3.968 14.504 19.519 0.51 12.38 H new ATOM 0 HA AASP A 730 3.164 12.353 20.699 0.49 14.67 H new ATOM 0 HA BASP A 730 3.256 12.380 20.789 0.51 14.67 H new ATOM 0 HB2AASP A 730 3.916 14.010 22.071 0.49 15.69 H new ATOM 0 HB2BASP A 730 3.101 15.063 21.658 0.51 15.69 H new ATOM 0 HB3AASP A 730 2.910 15.050 21.489 0.49 15.69 H new ATOM 0 HB3BASP A 730 2.708 13.886 22.602 0.51 15.69 H new ATOM 110 N ARG A 731 0.676 14.158 19.866 1.00 13.96 N ANISOU 110 N ARG A 731 2339 1350 1613 -590 876 -461 N ATOM 111 CA ARG A 731 -0.759 14.086 19.642 1.00 14.21 C ANISOU 111 CA ARG A 731 2084 1335 1980 -374 1087 -412 C ATOM 112 C ARG A 731 -1.117 12.935 18.715 1.00 12.75 C ANISOU 112 C ARG A 731 1793 1157 1894 -119 832 -348 C ATOM 113 O ARG A 731 -2.031 12.179 18.979 1.00 13.04 O ANISOU 113 O ARG A 731 1750 1191 2014 -262 927 -265 O ATOM 114 CB ARG A 731 -1.272 15.423 19.113 1.00 15.18 C ANISOU 114 CB ARG A 731 2046 1235 2485 -145 1093 -343 C ATOM 115 CG ARG A 731 -2.642 15.361 18.514 1.00 16.22 C ANISOU 115 CG ARG A 731 2066 1285 2812 -54 1284 -174 C ATOM 116 CD ARG A 731 -3.200 16.771 18.294 1.00 18.36 C ANISOU 116 CD ARG A 731 2248 1418 3310 142 1304 122 C ATOM 117 NE ARG A 731 -4.389 16.722 17.484 1.00 19.25 N ANISOU 117 NE ARG A 731 2499 1399 3418 229 1339 447 N ATOM 118 CZ ARG A 731 -5.575 16.320 17.919 1.00 18.56 C ANISOU 118 CZ ARG A 731 2558 1291 3202 231 1421 340 C ATOM 119 NH1 ARG A 731 -5.766 15.993 19.195 1.00 18.43 N ANISOU 119 NH1 ARG A 731 2289 1413 3299 150 1270 -221 N ATOM 120 NH2 ARG A 731 -6.570 16.215 17.068 1.00 19.82 N ANISOU 120 NH2 ARG A 731 2793 1622 3115 373 1433 468 N ATOM 0 H AARG A 731 1.055 14.895 19.637 0.49 13.96 H new ATOM 0 H BARG A 731 1.040 14.889 19.597 0.51 13.96 H new ATOM 0 HA ARG A 731 -1.197 13.908 20.489 1.00 14.21 H new ATOM 0 HB2 ARG A 731 -1.276 16.066 19.839 1.00 15.18 H new ATOM 0 HB3 ARG A 731 -0.652 15.754 18.444 1.00 15.18 H new ATOM 0 HG2 ARG A 731 -2.610 14.885 17.669 1.00 16.22 H new ATOM 0 HG3 ARG A 731 -3.233 14.861 19.098 1.00 16.22 H new ATOM 0 HD2 ARG A 731 -3.401 17.182 19.149 1.00 18.36 H new ATOM 0 HD3 ARG A 731 -2.531 17.326 17.863 1.00 18.36 H new ATOM 0 HE ARG A 731 -4.326 16.970 16.663 1.00 19.25 H new ATOM 0 HH11 ARG A 731 -5.114 16.041 19.753 1.00 18.43 H new ATOM 0 HH12 ARG A 731 -6.542 15.734 19.461 1.00 18.43 H new ATOM 0 HH21 ARG A 731 -6.448 16.406 16.238 1.00 19.82 H new ATOM 0 HH22 ARG A 731 -7.343 15.955 17.340 1.00 19.82 H new ATOM 134 N GLN A 732 -0.406 12.850 17.582 1.00 11.19 N ANISOU 134 N GLN A 732 1474 1099 1677 -178 606 -306 N ATOM 135 CA GLN A 732 -0.763 11.827 16.612 1.00 10.69 C ANISOU 135 CA GLN A 732 1344 1157 1561 -110 424 -82 C ATOM 136 C GLN A 732 -0.446 10.415 17.149 1.00 10.15 C ANISOU 136 C GLN A 732 1282 1127 1447 -72 505 -160 C ATOM 137 O GLN A 732 -1.121 9.465 16.815 1.00 10.43 O ANISOU 137 O GLN A 732 1322 1125 1517 -171 354 -118 O ATOM 138 CB GLN A 732 -0.102 12.079 15.270 1.00 10.95 C ANISOU 138 CB GLN A 732 1488 1229 1442 -148 356 -138 C ATOM 139 CG GLN A 732 -0.474 13.413 14.606 1.00 11.78 C ANISOU 139 CG GLN A 732 1498 1312 1665 -109 117 -40 C ATOM 140 CD GLN A 732 -1.993 13.608 14.430 1.00 13.39 C ANISOU 140 CD GLN A 732 1559 1598 1929 79 -10 -34 C ATOM 141 OE1 GLN A 732 -2.747 12.677 14.324 1.00 15.28 O ANISOU 141 OE1 GLN A 732 1578 1872 2357 -244 -10 -245 O ATOM 142 NE2 GLN A 732 -2.433 14.839 14.469 1.00 16.77 N ANISOU 142 NE2 GLN A 732 1797 1834 2742 217 -1 -61 N ATOM 0 H GLN A 732 0.257 13.355 17.369 1.00 11.19 H new ATOM 0 HA GLN A 732 -1.721 11.876 16.471 1.00 10.69 H new ATOM 0 HB2 GLN A 732 0.860 12.049 15.387 1.00 10.95 H new ATOM 0 HB3 GLN A 732 -0.337 11.356 14.667 1.00 10.95 H new ATOM 0 HG2 GLN A 732 -0.121 14.142 15.140 1.00 11.78 H new ATOM 0 HG3 GLN A 732 -0.045 13.465 13.737 1.00 11.78 H new ATOM 0 HE21 GLN A 732 -1.878 15.492 14.545 1.00 16.77 H new ATOM 0 HE22 GLN A 732 -3.277 14.996 14.419 1.00 16.77 H new ATOM 151 N LEU A 733 0.574 10.296 17.980 1.00 10.38 N ANISOU 151 N LEU A 733 1380 1111 1454 -71 473 -135 N ATOM 152 CA LEU A 733 0.885 9.016 18.595 1.00 10.57 C ANISOU 152 CA LEU A 733 1366 1209 1439 -49 472 -125 C ATOM 153 C LEU A 733 -0.214 8.611 19.571 1.00 10.67 C ANISOU 153 C LEU A 733 1347 1234 1472 -131 425 -38 C ATOM 154 O LEU A 733 -0.640 7.448 19.590 1.00 10.89 O ANISOU 154 O LEU A 733 1373 1227 1536 -167 428 -136 O ATOM 155 CB LEU A 733 2.243 9.096 19.295 1.00 10.69 C ANISOU 155 CB LEU A 733 1351 1327 1385 -113 330 -185 C ATOM 156 CG LEU A 733 2.611 7.861 20.074 1.00 12.22 C ANISOU 156 CG LEU A 733 1484 1527 1631 34 216 -93 C ATOM 157 CD1 LEU A 733 2.585 6.602 19.244 1.00 12.48 C ANISOU 157 CD1 LEU A 733 1477 1421 1843 188 -72 -37 C ATOM 158 CD2 LEU A 733 3.952 8.060 20.701 1.00 14.17 C ANISOU 158 CD2 LEU A 733 1773 1705 1907 -61 -36 -246 C ATOM 0 H LEU A 733 1.098 10.941 18.202 1.00 10.38 H new ATOM 0 HA LEU A 733 0.933 8.335 17.906 1.00 10.57 H new ATOM 0 HB2 LEU A 733 2.929 9.263 18.630 1.00 10.69 H new ATOM 0 HB3 LEU A 733 2.241 9.857 19.897 1.00 10.69 H new ATOM 0 HG LEU A 733 1.937 7.735 20.760 1.00 12.22 H new ATOM 0 HD11 LEU A 733 2.830 5.844 19.798 1.00 12.48 H new ATOM 0 HD12 LEU A 733 1.693 6.467 18.888 1.00 12.48 H new ATOM 0 HD13 LEU A 733 3.216 6.684 18.512 1.00 12.48 H new ATOM 0 HD21 LEU A 733 4.195 7.267 21.205 1.00 14.17 H new ATOM 0 HD22 LEU A 733 4.613 8.218 20.009 1.00 14.17 H new ATOM 0 HD23 LEU A 733 3.920 8.824 21.297 1.00 14.17 H new ATOM 170 N ARG A 734 -0.665 9.538 20.415 1.00 10.91 N ANISOU 170 N ARG A 734 1417 1296 1430 -187 516 -281 N ATOM 171 CA ARG A 734 -1.745 9.206 21.346 1.00 11.57 C ANISOU 171 CA ARG A 734 1583 1413 1400 -202 563 -190 C ATOM 172 C ARG A 734 -3.024 8.856 20.602 1.00 11.19 C ANISOU 172 C ARG A 734 1550 1177 1523 -155 620 -235 C ATOM 173 O ARG A 734 -3.750 7.947 21.009 1.00 11.50 O ANISOU 173 O ARG A 734 1541 1300 1526 -119 567 10 O ATOM 174 CB ARG A 734 -1.995 10.408 22.263 1.00 12.99 C ANISOU 174 CB ARG A 734 1716 1611 1611 -217 651 -392 C ATOM 175 CG ARG A 734 -0.937 10.608 23.268 1.00 14.23 C ANISOU 175 CG ARG A 734 1992 1868 1546 -97 474 -187 C ATOM 176 CD ARG A 734 -1.322 11.741 24.238 1.00 15.05 C ANISOU 176 CD ARG A 734 2091 1979 1647 65 168 -249 C ATOM 177 NE ARG A 734 -1.284 13.085 23.651 1.00 14.39 N ANISOU 177 NE ARG A 734 1911 1938 1619 -48 32 -379 N ATOM 178 CZ ARG A 734 -2.288 13.898 23.368 1.00 15.34 C ANISOU 178 CZ ARG A 734 2119 1966 1744 259 191 -248 C ATOM 179 NH1 ARG A 734 -3.563 13.545 23.577 1.00 16.44 N ANISOU 179 NH1 ARG A 734 2174 2126 1945 473 349 -66 N ATOM 180 NH2 ARG A 734 -1.992 15.117 22.901 1.00 17.34 N ANISOU 180 NH2 ARG A 734 2375 1938 2277 54 200 -56 N ATOM 0 H ARG A 734 -0.370 10.344 20.466 1.00 10.91 H new ATOM 0 HA ARG A 734 -1.481 8.432 21.868 1.00 11.57 H new ATOM 0 HB2 ARG A 734 -2.073 11.209 21.721 1.00 12.99 H new ATOM 0 HB3 ARG A 734 -2.844 10.289 22.717 1.00 12.99 H new ATOM 0 HG2 ARG A 734 -0.794 9.786 23.763 1.00 14.23 H new ATOM 0 HG3 ARG A 734 -0.100 10.823 22.827 1.00 14.23 H new ATOM 0 HD2 ARG A 734 -2.216 11.573 24.575 1.00 15.05 H new ATOM 0 HD3 ARG A 734 -0.722 11.716 25.000 1.00 15.05 H new ATOM 0 HE ARG A 734 -0.500 13.386 23.465 1.00 14.39 H new ATOM 0 HH11 ARG A 734 -3.747 12.771 23.904 1.00 16.44 H new ATOM 0 HH12 ARG A 734 -4.198 14.092 23.384 1.00 16.44 H new ATOM 0 HH21 ARG A 734 -1.171 15.349 22.794 1.00 17.34 H new ATOM 0 HH22 ARG A 734 -2.623 15.668 22.708 1.00 17.34 H new ATOM 194 N LEU A 735 -3.321 9.575 19.518 1.00 10.83 N ANISOU 194 N LEU A 735 1490 1122 1504 -164 593 -76 N ATOM 195 CA LEU A 735 -4.474 9.224 18.715 1.00 10.86 C ANISOU 195 CA LEU A 735 1431 1114 1580 -141 642 -129 C ATOM 196 C LEU A 735 -4.309 7.834 18.077 1.00 10.14 C ANISOU 196 C LEU A 735 1436 1016 1399 -94 450 4 C ATOM 197 O LEU A 735 -5.276 7.099 17.933 1.00 10.69 O ANISOU 197 O LEU A 735 1377 1105 1579 -104 427 40 O ATOM 198 CB LEU A 735 -4.739 10.275 17.650 1.00 11.14 C ANISOU 198 CB LEU A 735 1515 1177 1541 -40 521 -43 C ATOM 199 CG LEU A 735 -5.239 11.644 18.166 1.00 12.66 C ANISOU 199 CG LEU A 735 1751 1232 1827 166 507 -93 C ATOM 200 CD1 LEU A 735 -5.200 12.620 17.042 1.00 14.81 C ANISOU 200 CD1 LEU A 735 2101 1250 2278 229 518 71 C ATOM 201 CD2 LEU A 735 -6.622 11.508 18.769 1.00 14.71 C ANISOU 201 CD2 LEU A 735 1827 1588 2172 274 581 -203 C ATOM 0 H LEU A 735 -2.873 10.255 19.241 1.00 10.83 H new ATOM 0 HA LEU A 735 -5.242 9.192 19.306 1.00 10.86 H new ATOM 0 HB2 LEU A 735 -3.921 10.417 17.149 1.00 11.14 H new ATOM 0 HB3 LEU A 735 -5.395 9.923 17.029 1.00 11.14 H new ATOM 0 HG LEU A 735 -4.662 11.972 18.873 1.00 12.66 H new ATOM 0 HD11 LEU A 735 -5.512 13.484 17.353 1.00 14.81 H new ATOM 0 HD12 LEU A 735 -4.290 12.703 16.717 1.00 14.81 H new ATOM 0 HD13 LEU A 735 -5.773 12.309 16.323 1.00 14.81 H new ATOM 0 HD21 LEU A 735 -6.923 12.373 19.088 1.00 14.71 H new ATOM 0 HD22 LEU A 735 -7.238 11.180 18.095 1.00 14.71 H new ATOM 0 HD23 LEU A 735 -6.592 10.883 19.510 1.00 14.71 H new ATOM 213 N LEU A 736 -3.089 7.492 17.676 1.00 10.05 N ANISOU 213 N LEU A 736 1337 1061 1419 -58 451 11 N ATOM 214 CA LEU A 736 -2.814 6.143 17.184 1.00 10.21 C ANISOU 214 CA LEU A 736 1286 1170 1423 -112 425 -175 C ATOM 215 C LEU A 736 -3.084 5.094 18.248 1.00 10.22 C ANISOU 215 C LEU A 736 1190 1193 1501 -109 396 -87 C ATOM 216 O LEU A 736 -3.715 4.086 17.982 1.00 10.22 O ANISOU 216 O LEU A 736 1320 1143 1419 -137 418 -42 O ATOM 217 CB LEU A 736 -1.358 6.062 16.680 1.00 10.21 C ANISOU 217 CB LEU A 736 1366 1109 1402 -135 490 -74 C ATOM 218 CG LEU A 736 -0.944 4.668 16.235 1.00 11.43 C ANISOU 218 CG LEU A 736 1453 1260 1632 -128 537 -171 C ATOM 219 CD1 LEU A 736 -1.810 4.145 15.152 1.00 12.44 C ANISOU 219 CD1 LEU A 736 1654 1327 1744 -84 564 -98 C ATOM 220 CD2 LEU A 736 0.500 4.682 15.817 1.00 13.07 C ANISOU 220 CD2 LEU A 736 1517 1485 1966 2 619 -265 C ATOM 0 H LEU A 736 -2.410 8.020 17.680 1.00 10.05 H new ATOM 0 HA LEU A 736 -3.415 5.957 16.445 1.00 10.21 H new ATOM 0 HB2 LEU A 736 -1.246 6.677 15.938 1.00 10.21 H new ATOM 0 HB3 LEU A 736 -0.762 6.358 17.386 1.00 10.21 H new ATOM 0 HG LEU A 736 -1.053 4.066 16.988 1.00 11.43 H new ATOM 0 HD11 LEU A 736 -1.512 3.257 14.899 1.00 12.44 H new ATOM 0 HD12 LEU A 736 -2.727 4.101 15.464 1.00 12.44 H new ATOM 0 HD13 LEU A 736 -1.758 4.734 14.383 1.00 12.44 H new ATOM 0 HD21 LEU A 736 0.764 3.793 15.533 1.00 13.07 H new ATOM 0 HD22 LEU A 736 0.618 5.304 15.082 1.00 13.07 H new ATOM 0 HD23 LEU A 736 1.051 4.959 16.566 1.00 13.07 H new ATOM 232 N GLN A 737 -2.592 5.324 19.468 1.00 10.61 N ANISOU 232 N GLN A 737 1307 1232 1494 -193 358 -59 N ATOM 233 CA GLN A 737 -2.846 4.400 20.553 1.00 11.24 C ANISOU 233 CA GLN A 737 1337 1429 1506 -102 310 50 C ATOM 234 C GLN A 737 -4.345 4.200 20.772 1.00 10.89 C ANISOU 234 C GLN A 737 1358 1407 1373 -168 331 71 C ATOM 235 O GLN A 737 -4.825 3.073 20.939 1.00 11.16 O ANISOU 235 O GLN A 737 1548 1331 1362 -160 325 169 O ATOM 236 CB GLN A 737 -2.176 4.881 21.821 1.00 12.96 C ANISOU 236 CB GLN A 737 1700 1626 1600 -242 100 173 C ATOM 237 CG GLN A 737 -0.670 4.850 21.674 1.00 19.11 C ANISOU 237 CG GLN A 737 2395 2410 2458 -185 -445 164 C ATOM 238 CD GLN A 737 0.140 5.569 22.764 1.00 27.99 C ANISOU 238 CD GLN A 737 3341 3476 3819 185 -1024 -164 C ATOM 239 OE1 GLN A 737 -0.093 6.736 23.105 1.00 28.87 O ANISOU 239 OE1 GLN A 737 3592 3466 3910 231 -976 -381 O ATOM 240 NE2 GLN A 737 1.172 4.884 23.232 1.00 33.64 N ANISOU 240 NE2 GLN A 737 3772 4307 4702 461 -1408 -131 N ATOM 0 H GLN A 737 -2.113 6.007 19.679 1.00 10.61 H new ATOM 0 HA GLN A 737 -2.468 3.540 20.311 1.00 11.24 H new ATOM 0 HB2 GLN A 737 -2.467 5.784 22.024 1.00 12.96 H new ATOM 0 HB3 GLN A 737 -2.445 4.322 22.567 1.00 12.96 H new ATOM 0 HG2 GLN A 737 -0.387 3.923 21.647 1.00 19.11 H new ATOM 0 HG3 GLN A 737 -0.440 5.242 20.817 1.00 19.11 H new ATOM 0 HE21 GLN A 737 1.304 4.075 22.973 1.00 33.64 H new ATOM 0 HE22 GLN A 737 1.710 5.249 23.795 1.00 33.64 H new ATOM 249 N ALA A 738 -5.089 5.305 20.764 1.00 10.44 N ANISOU 249 N ALA A 738 1394 1239 1334 -162 394 -5 N ATOM 250 CA ALA A 738 -6.549 5.189 20.913 1.00 10.84 C ANISOU 250 CA ALA A 738 1368 1257 1495 -142 486 34 C ATOM 251 C ALA A 738 -7.165 4.374 19.789 1.00 9.95 C ANISOU 251 C ALA A 738 1251 1129 1400 -45 458 31 C ATOM 252 O ALA A 738 -8.054 3.570 20.014 1.00 10.70 O ANISOU 252 O ALA A 738 1366 1213 1485 -117 509 -43 O ATOM 253 CB ALA A 738 -7.165 6.577 21.013 1.00 11.64 C ANISOU 253 CB ALA A 738 1567 1313 1543 -150 565 -218 C ATOM 0 H ALA A 738 -4.787 6.106 20.677 1.00 10.44 H new ATOM 0 HA ALA A 738 -6.741 4.708 21.733 1.00 10.84 H new ATOM 0 HB1 ALA A 738 -8.127 6.498 21.111 1.00 11.64 H new ATOM 0 HB2 ALA A 738 -6.799 7.039 21.783 1.00 11.64 H new ATOM 0 HB3 ALA A 738 -6.963 7.080 20.209 1.00 11.64 H new ATOM 259 N GLN A 739 -6.731 4.623 18.547 1.00 9.46 N ANISOU 259 N GLN A 739 1194 1094 1307 -74 285 40 N ATOM 260 CA GLN A 739 -7.328 3.948 17.417 1.00 9.39 C ANISOU 260 CA GLN A 739 1161 1070 1337 -16 171 86 C ATOM 261 C GLN A 739 -6.973 2.449 17.381 1.00 9.48 C ANISOU 261 C GLN A 739 1206 1061 1334 5 253 143 C ATOM 262 O GLN A 739 -7.807 1.634 16.989 1.00 9.60 O ANISOU 262 O GLN A 739 1267 1112 1267 -67 130 103 O ATOM 263 CB GLN A 739 -6.973 4.641 16.118 1.00 10.25 C ANISOU 263 CB GLN A 739 1316 1155 1423 -56 104 187 C ATOM 264 CG GLN A 739 -7.690 4.102 14.954 1.00 11.42 C ANISOU 264 CG GLN A 739 1502 1225 1611 -109 4 227 C ATOM 265 CD GLN A 739 -9.223 4.142 15.122 1.00 12.72 C ANISOU 265 CD GLN A 739 1538 1372 1924 -23 -173 346 C ATOM 266 OE1 GLN A 739 -9.760 5.101 15.649 1.00 15.47 O ANISOU 266 OE1 GLN A 739 1517 1423 2936 50 -406 -72 O ATOM 267 NE2 GLN A 739 -9.917 3.101 14.675 1.00 12.58 N ANISOU 267 NE2 GLN A 739 1635 1418 1726 -202 -258 331 N ATOM 0 H GLN A 739 -6.100 5.173 18.351 1.00 9.46 H new ATOM 0 HA GLN A 739 -8.290 4.001 17.526 1.00 9.39 H new ATOM 0 HB2 GLN A 739 -7.169 5.587 16.200 1.00 10.25 H new ATOM 0 HB3 GLN A 739 -6.018 4.561 15.967 1.00 10.25 H new ATOM 0 HG2 GLN A 739 -7.442 4.608 14.165 1.00 11.42 H new ATOM 0 HG3 GLN A 739 -7.410 3.186 14.803 1.00 11.42 H new ATOM 0 HE21 GLN A 739 -9.510 2.439 14.307 1.00 12.58 H new ATOM 0 HE22 GLN A 739 -10.773 3.090 14.753 1.00 12.58 H new ATOM 276 N ILE A 740 -5.757 2.088 17.814 1.00 9.05 N ANISOU 276 N ILE A 740 1212 1020 1207 -16 200 112 N ATOM 277 CA ILE A 740 -5.447 0.661 17.968 1.00 9.43 C ANISOU 277 CA ILE A 740 1224 1128 1232 46 222 142 C ATOM 278 C ILE A 740 -6.428 0.040 18.950 1.00 9.15 C ANISOU 278 C ILE A 740 1192 1108 1178 -37 213 108 C ATOM 279 O ILE A 740 -6.982 -1.032 18.706 1.00 9.32 O ANISOU 279 O ILE A 740 1232 1116 1191 -17 150 116 O ATOM 280 CB ILE A 740 -3.998 0.475 18.431 1.00 10.51 C ANISOU 280 CB ILE A 740 1230 1226 1535 93 221 248 C ATOM 281 CG1 ILE A 740 -3.007 0.899 17.349 1.00 10.98 C ANISOU 281 CG1 ILE A 740 1291 1324 1555 126 285 155 C ATOM 282 CG2 ILE A 740 -3.761 -0.999 18.814 1.00 12.50 C ANISOU 282 CG2 ILE A 740 1346 1465 1940 144 108 375 C ATOM 283 CD1 ILE A 740 -1.576 0.999 17.815 1.00 12.82 C ANISOU 283 CD1 ILE A 740 1254 1702 1914 77 278 246 C ATOM 0 H ILE A 740 -5.121 2.630 18.017 1.00 9.05 H new ATOM 0 HA ILE A 740 -5.538 0.212 17.113 1.00 9.43 H new ATOM 0 HB ILE A 740 -3.853 1.041 19.205 1.00 10.51 H new ATOM 0 HG12 ILE A 740 -3.053 0.264 16.617 1.00 10.98 H new ATOM 0 HG13 ILE A 740 -3.281 1.760 16.995 1.00 10.98 H new ATOM 0 HG21 ILE A 740 -2.843 -1.114 19.107 1.00 12.50 H new ATOM 0 HG22 ILE A 740 -4.363 -1.247 19.533 1.00 12.50 H new ATOM 0 HG23 ILE A 740 -3.928 -1.564 18.044 1.00 12.50 H new ATOM 0 HD11 ILE A 740 -1.013 1.272 17.074 1.00 12.82 H new ATOM 0 HD12 ILE A 740 -1.512 1.654 18.527 1.00 12.82 H new ATOM 0 HD13 ILE A 740 -1.281 0.135 18.144 1.00 12.82 H new ATOM 295 N GLN A 741 -6.620 0.686 20.105 1.00 10.01 N ANISOU 295 N GLN A 741 1363 1143 1297 -187 308 25 N ATOM 296 CA GLN A 741 -7.538 0.161 21.104 1.00 10.53 C ANISOU 296 CA GLN A 741 1520 1188 1293 -137 351 63 C ATOM 297 C GLN A 741 -8.948 0.017 20.527 1.00 9.89 C ANISOU 297 C GLN A 741 1368 1173 1218 -104 391 -31 C ATOM 298 O GLN A 741 -9.636 -0.957 20.794 1.00 10.14 O ANISOU 298 O GLN A 741 1456 1222 1174 -203 295 28 O ATOM 299 CB GLN A 741 -7.475 1.022 22.331 1.00 11.82 C ANISOU 299 CB GLN A 741 1665 1565 1261 -280 354 -41 C ATOM 300 CG GLN A 741 -8.410 0.519 23.396 1.00 13.04 C ANISOU 300 CG GLN A 741 1864 1891 1199 -446 324 -182 C ATOM 301 CD GLN A 741 -8.224 1.191 24.725 1.00 15.08 C ANISOU 301 CD GLN A 741 1915 2335 1482 -574 217 -448 C ATOM 302 OE1 GLN A 741 -7.218 1.815 24.994 1.00 18.67 O ANISOU 302 OE1 GLN A 741 2163 2973 1959 -837 401 -789 O ATOM 303 NE2 GLN A 741 -9.218 1.076 25.554 1.00 14.47 N ANISOU 303 NE2 GLN A 741 1734 2243 1520 -271 209 -351 N ATOM 0 H GLN A 741 -6.230 1.421 20.322 1.00 10.01 H new ATOM 0 HA GLN A 741 -7.273 -0.735 21.366 1.00 10.53 H new ATOM 0 HB2 GLN A 741 -6.568 1.036 22.674 1.00 11.82 H new ATOM 0 HB3 GLN A 741 -7.705 1.936 22.100 1.00 11.82 H new ATOM 0 HG2 GLN A 741 -9.325 0.650 23.101 1.00 13.04 H new ATOM 0 HG3 GLN A 741 -8.281 -0.436 23.504 1.00 13.04 H new ATOM 0 HE21 GLN A 741 -9.915 0.626 25.329 1.00 14.47 H new ATOM 0 HE22 GLN A 741 -9.178 1.450 26.327 1.00 14.47 H new ATOM 312 N ARG A 742 -9.401 1.010 19.748 1.00 10.43 N ANISOU 312 N ARG A 742 1327 1157 1479 -56 410 45 N ATOM 313 CA AARG A 742 -10.755 0.932 19.166 0.46 11.11 C ANISOU 313 CA AARG A 742 1328 1301 1594 221 492 125 C ATOM 314 CA BARG A 742 -10.732 0.956 19.186 0.54 11.65 C ANISOU 314 CA BARG A 742 1390 1239 1796 74 374 154 C ATOM 315 C ARG A 742 -10.883 -0.281 18.284 1.00 10.28 C ANISOU 315 C ARG A 742 1260 1312 1333 154 249 302 C ATOM 316 O ARG A 742 -11.899 -0.970 18.319 1.00 10.95 O ANISOU 316 O ARG A 742 1194 1381 1585 18 229 306 O ATOM 317 CB AARG A 742 -11.145 2.134 18.305 0.46 12.60 C ANISOU 317 CB AARG A 742 1426 1494 1869 353 631 247 C ATOM 318 CB BARG A 742 -10.941 2.304 18.490 0.54 14.28 C ANISOU 318 CB BARG A 742 1568 1299 2558 239 321 352 C ATOM 319 CG AARG A 742 -11.414 3.355 19.063 0.46 11.88 C ANISOU 319 CG AARG A 742 1479 1298 1738 225 465 -3 C ATOM 320 CG BARG A 742 -12.329 2.605 18.301 0.54 14.15 C ANISOU 320 CG BARG A 742 1345 1240 2791 117 -37 -191 C ATOM 321 CD AARG A 742 -12.097 4.438 18.223 0.46 13.38 C ANISOU 321 CD AARG A 742 1620 1303 2160 357 270 -171 C ATOM 322 CD BARG A 742 -12.496 4.027 17.834 0.54 15.94 C ANISOU 322 CD BARG A 742 1540 1337 3182 204 -335 -275 C ATOM 323 NE AARG A 742 -12.141 5.689 18.965 0.46 15.52 N ANISOU 323 NE AARG A 742 1856 1274 2769 337 136 -258 N ATOM 324 NE BARG A 742 -12.522 5.008 18.938 0.54 16.77 N ANISOU 324 NE BARG A 742 1703 1401 3268 192 -538 -271 N ATOM 325 CZ AARG A 742 -11.180 6.599 18.936 0.46 17.09 C ANISOU 325 CZ AARG A 742 2125 1394 2974 287 -180 -136 C ATOM 326 CZ BARG A 742 -11.581 5.924 19.187 0.54 17.80 C ANISOU 326 CZ BARG A 742 1915 1524 3323 85 -712 -277 C ATOM 327 NH1AARG A 742 -10.097 6.443 18.183 0.46 17.24 N ANISOU 327 NH1AARG A 742 2083 1403 3064 148 -285 210 N ATOM 328 NH1BARG A 742 -10.500 6.016 18.404 0.54 18.75 N ANISOU 328 NH1BARG A 742 1945 1629 3549 57 -860 -197 N ATOM 329 NH2AARG A 742 -11.323 7.667 19.678 0.46 19.00 N ANISOU 329 NH2AARG A 742 2358 1635 3226 320 -217 -399 N ATOM 330 NH2BARG A 742 -11.758 6.763 20.215 0.54 18.70 N ANISOU 330 NH2BARG A 742 2085 1725 3294 135 -682 -330 N ATOM 0 H AARG A 742 -8.957 1.718 19.548 0.46 10.43 H new ATOM 0 H BARG A 742 -8.949 1.712 19.542 0.54 10.43 H new ATOM 0 HA AARG A 742 -11.344 0.898 19.936 0.46 11.65 H new ATOM 0 HA BARG A 742 -11.430 0.841 19.850 0.54 11.65 H new ATOM 0 HB2AARG A 742 -10.432 2.310 17.671 0.46 14.28 H new ATOM 0 HB2BARG A 742 -10.528 3.006 19.017 0.54 14.28 H new ATOM 0 HB3AARG A 742 -11.934 1.906 17.788 0.46 14.28 H new ATOM 0 HB3BARG A 742 -10.493 2.295 17.629 0.54 14.28 H new ATOM 0 HG2AARG A 742 -11.975 3.141 19.825 0.46 14.15 H new ATOM 0 HG2BARG A 742 -12.713 1.997 17.650 0.54 14.15 H new ATOM 0 HG3AARG A 742 -10.579 3.703 19.415 0.46 14.15 H new ATOM 0 HG3BARG A 742 -12.811 2.472 19.132 0.54 14.15 H new ATOM 0 HD2AARG A 742 -11.616 4.564 17.390 0.46 15.94 H new ATOM 0 HD2BARG A 742 -11.770 4.249 17.230 0.54 15.94 H new ATOM 0 HD3AARG A 742 -12.997 4.159 17.991 0.46 15.94 H new ATOM 0 HD3BARG A 742 -13.320 4.099 17.327 0.54 15.94 H new ATOM 0 HE AARG A 742 -12.833 5.847 19.451 0.46 16.77 H new ATOM 0 HE BARG A 742 -13.201 4.988 19.466 0.54 16.77 H new ATOM 0 HH11AARG A 742 -10.008 5.738 17.699 0.46 18.75 H new ATOM 0 HH11BARG A 742 -10.407 5.484 17.735 0.54 18.75 H new ATOM 0 HH12AARG A 742 -9.485 7.047 18.180 0.46 18.75 H new ATOM 0 HH12BARG A 742 -9.898 6.608 18.570 0.54 18.75 H new ATOM 0 HH21AARG A 742 -12.026 7.761 20.165 0.46 18.70 H new ATOM 0 HH21BARG A 742 -12.466 6.706 20.700 0.54 18.70 H new ATOM 0 HH22AARG A 742 -10.714 8.275 19.679 0.46 18.70 H new ATOM 0 HH22BARG A 742 -11.164 7.359 20.391 0.54 18.70 H new ATOM 356 N LEU A 743 -9.875 -0.530 17.421 1.00 9.68 N ANISOU 356 N LEU A 743 1172 1301 1206 36 130 289 N ATOM 357 CA LEU A 743 -9.931 -1.719 16.602 1.00 9.45 C ANISOU 357 CA LEU A 743 1189 1382 1020 2 45 318 C ATOM 358 C LEU A 743 -9.980 -2.974 17.467 1.00 8.74 C ANISOU 358 C LEU A 743 1062 1264 996 54 141 200 C ATOM 359 O LEU A 743 -10.786 -3.859 17.231 1.00 9.08 O ANISOU 359 O LEU A 743 1168 1325 959 -28 69 166 O ATOM 360 CB LEU A 743 -8.746 -1.777 15.632 1.00 9.72 C ANISOU 360 CB LEU A 743 1281 1420 992 28 147 296 C ATOM 361 CG LEU A 743 -8.648 -3.083 14.824 1.00 10.23 C ANISOU 361 CG LEU A 743 1353 1495 1037 92 155 383 C ATOM 362 CD1 LEU A 743 -9.867 -3.287 13.922 1.00 10.86 C ANISOU 362 CD1 LEU A 743 1590 1510 1024 81 57 287 C ATOM 363 CD2 LEU A 743 -7.362 -3.097 14.001 1.00 11.88 C ANISOU 363 CD2 LEU A 743 1588 1634 1291 61 435 234 C ATOM 0 H LEU A 743 -9.182 -0.033 17.309 1.00 9.68 H new ATOM 0 HA LEU A 743 -10.746 -1.679 16.078 1.00 9.45 H new ATOM 0 HB2 LEU A 743 -8.811 -1.032 15.014 1.00 9.72 H new ATOM 0 HB3 LEU A 743 -7.925 -1.658 16.135 1.00 9.72 H new ATOM 0 HG LEU A 743 -8.629 -3.820 15.454 1.00 10.23 H new ATOM 0 HD11 LEU A 743 -9.770 -4.117 13.430 1.00 10.86 H new ATOM 0 HD12 LEU A 743 -10.669 -3.325 14.466 1.00 10.86 H new ATOM 0 HD13 LEU A 743 -9.935 -2.548 13.298 1.00 10.86 H new ATOM 0 HD21 LEU A 743 -7.310 -3.923 13.496 1.00 11.88 H new ATOM 0 HD22 LEU A 743 -7.361 -2.344 13.389 1.00 11.88 H new ATOM 0 HD23 LEU A 743 -6.597 -3.032 14.594 1.00 11.88 H new ATOM 375 N LEU A 744 -9.088 -3.064 18.445 1.00 8.07 N ANISOU 375 N LEU A 744 1051 1147 866 28 94 134 N ATOM 376 CA LEU A 744 -9.014 -4.289 19.243 1.00 8.31 C ANISOU 376 CA LEU A 744 1176 1143 839 77 108 100 C ATOM 377 C LEU A 744 -10.311 -4.523 20.012 1.00 8.08 C ANISOU 377 C LEU A 744 1120 1124 825 11 104 74 C ATOM 378 O LEU A 744 -10.735 -5.672 20.168 1.00 8.95 O ANISOU 378 O LEU A 744 1313 1117 968 2 237 54 O ATOM 379 CB LEU A 744 -7.808 -4.250 20.155 1.00 8.75 C ANISOU 379 CB LEU A 744 1268 1104 952 103 18 42 C ATOM 380 CG LEU A 744 -6.461 -4.211 19.452 1.00 9.38 C ANISOU 380 CG LEU A 744 1189 1222 1155 174 19 60 C ATOM 381 CD1 LEU A 744 -5.363 -4.066 20.456 1.00 10.72 C ANISOU 381 CD1 LEU A 744 1269 1294 1510 162 -154 -159 C ATOM 382 CD2 LEU A 744 -6.259 -5.461 18.596 1.00 10.47 C ANISOU 382 CD2 LEU A 744 1239 1529 1211 247 -47 -199 C ATOM 0 H LEU A 744 -8.529 -2.448 18.662 1.00 8.07 H new ATOM 0 HA LEU A 744 -8.904 -5.044 18.645 1.00 8.31 H new ATOM 0 HB2 LEU A 744 -7.880 -3.471 20.728 1.00 8.75 H new ATOM 0 HB3 LEU A 744 -7.832 -5.029 20.732 1.00 8.75 H new ATOM 0 HG LEU A 744 -6.441 -3.442 18.861 1.00 9.38 H new ATOM 0 HD11 LEU A 744 -4.508 -4.042 19.999 1.00 10.72 H new ATOM 0 HD12 LEU A 744 -5.486 -3.243 20.954 1.00 10.72 H new ATOM 0 HD13 LEU A 744 -5.382 -4.819 21.067 1.00 10.72 H new ATOM 0 HD21 LEU A 744 -5.395 -5.417 18.157 1.00 10.47 H new ATOM 0 HD22 LEU A 744 -6.294 -6.249 19.160 1.00 10.47 H new ATOM 0 HD23 LEU A 744 -6.959 -5.512 17.927 1.00 10.47 H new ATOM 394 N GLU A 745 -10.961 -3.463 20.476 1.00 8.30 N ANISOU 394 N GLU A 745 1163 1084 907 16 185 50 N ATOM 395 CA GLU A 745 -12.266 -3.628 21.116 1.00 8.69 C ANISOU 395 CA GLU A 745 1213 1103 987 -24 256 38 C ATOM 396 C GLU A 745 -13.306 -4.117 20.126 1.00 9.01 C ANISOU 396 C GLU A 745 1243 1132 1049 16 253 -55 C ATOM 397 O GLU A 745 -14.121 -4.970 20.477 1.00 9.99 O ANISOU 397 O GLU A 745 1266 1329 1201 -206 285 -90 O ATOM 398 CB GLU A 745 -12.694 -2.320 21.791 1.00 9.23 C ANISOU 398 CB GLU A 745 1163 1143 1200 33 287 -42 C ATOM 399 CG GLU A 745 -11.891 -1.980 22.985 1.00 9.18 C ANISOU 399 CG GLU A 745 1180 1215 1094 29 237 -78 C ATOM 400 CD GLU A 745 -12.378 -0.791 23.756 1.00 10.41 C ANISOU 400 CD GLU A 745 1239 1304 1411 62 191 -237 C ATOM 401 OE1 GLU A 745 -13.536 -0.359 23.518 1.00 12.74 O ANISOU 401 OE1 GLU A 745 1540 1539 1761 247 -46 -606 O ATOM 402 OE2 GLU A 745 -11.649 -0.286 24.631 1.00 11.36 O ANISOU 402 OE2 GLU A 745 1373 1470 1473 83 124 -416 O ATOM 0 H GLU A 745 -10.674 -2.654 20.433 1.00 8.30 H new ATOM 0 HA GLU A 745 -12.189 -4.308 21.803 1.00 8.69 H new ATOM 0 HB2 GLU A 745 -12.627 -1.596 21.149 1.00 9.23 H new ATOM 0 HB3 GLU A 745 -13.627 -2.387 22.047 1.00 9.23 H new ATOM 0 HG2 GLU A 745 -11.875 -2.748 23.577 1.00 9.18 H new ATOM 0 HG3 GLU A 745 -10.976 -1.816 22.707 1.00 9.18 H new ATOM 409 N ALA A 746 -13.306 -3.610 18.897 1.00 9.08 N ANISOU 409 N ALA A 746 1172 1187 1092 -12 151 67 N ATOM 410 CA ALA A 746 -14.224 -4.091 17.889 1.00 10.06 C ANISOU 410 CA ALA A 746 1145 1417 1259 77 63 78 C ATOM 411 C ALA A 746 -13.982 -5.559 17.535 1.00 10.59 C ANISOU 411 C ALA A 746 1298 1489 1237 -66 42 40 C ATOM 412 O ALA A 746 -14.897 -6.259 17.115 1.00 12.23 O ANISOU 412 O ALA A 746 1412 1645 1588 -169 -175 -155 O ATOM 413 CB ALA A 746 -14.123 -3.249 16.615 1.00 11.44 C ANISOU 413 CB ALA A 746 1436 1642 1270 74 -211 207 C ATOM 0 H ALA A 746 -12.778 -2.985 18.632 1.00 9.08 H new ATOM 0 HA ALA A 746 -15.113 -4.011 18.268 1.00 10.06 H new ATOM 0 HB1 ALA A 746 -14.746 -3.588 15.953 1.00 11.44 H new ATOM 0 HB2 ALA A 746 -14.339 -2.326 16.819 1.00 11.44 H new ATOM 0 HB3 ALA A 746 -13.220 -3.299 16.264 1.00 11.44 H new ATOM 419 N GLN A 747 -12.741 -6.008 17.732 1.00 9.79 N ANISOU 419 N GLN A 747 1244 1345 1131 -36 109 -83 N ATOM 420 CA GLN A 747 -12.343 -7.385 17.498 1.00 10.53 C ANISOU 420 CA GLN A 747 1372 1397 1231 -13 137 -124 C ATOM 421 C GLN A 747 -12.525 -8.276 18.704 1.00 11.05 C ANISOU 421 C GLN A 747 1409 1261 1530 -14 291 -144 C ATOM 422 O GLN A 747 -12.195 -9.467 18.635 1.00 12.72 O ANISOU 422 O GLN A 747 1917 1349 1567 -51 397 -114 O ATOM 423 CB GLN A 747 -10.897 -7.417 17.028 1.00 10.20 C ANISOU 423 CB GLN A 747 1374 1410 1093 67 106 -238 C ATOM 424 CG GLN A 747 -10.705 -6.702 15.719 1.00 10.49 C ANISOU 424 CG GLN A 747 1470 1637 880 53 -105 -203 C ATOM 425 CD GLN A 747 -9.309 -6.799 15.252 1.00 10.24 C ANISOU 425 CD GLN A 747 1577 1402 912 112 70 -343 C ATOM 426 OE1 GLN A 747 -8.363 -6.692 16.037 1.00 11.19 O ANISOU 426 OE1 GLN A 747 1407 1709 1136 8 36 -571 O ATOM 427 NE2 GLN A 747 -9.149 -6.997 13.953 1.00 11.65 N ANISOU 427 NE2 GLN A 747 1991 1579 858 342 159 -232 N ATOM 0 H GLN A 747 -12.100 -5.507 18.010 1.00 9.79 H new ATOM 0 HA GLN A 747 -12.930 -7.741 16.812 1.00 10.53 H new ATOM 0 HB2 GLN A 747 -10.331 -7.010 17.702 1.00 10.20 H new ATOM 0 HB3 GLN A 747 -10.610 -8.339 16.936 1.00 10.20 H new ATOM 0 HG2 GLN A 747 -11.298 -7.081 15.052 1.00 10.49 H new ATOM 0 HG3 GLN A 747 -10.950 -5.769 15.819 1.00 10.49 H new ATOM 0 HE21 GLN A 747 -9.836 -7.066 13.441 1.00 11.65 H new ATOM 0 HE22 GLN A 747 -8.358 -7.057 13.621 1.00 11.65 H new ATOM 436 N SER A 748 -12.981 -7.746 19.843 1.00 10.70 N ANISOU 436 N SER A 748 1439 1185 1441 -91 340 -88 N ATOM 437 CA SER A 748 -13.145 -8.534 21.046 1.00 11.97 C ANISOU 437 CA SER A 748 1709 1266 1575 -61 513 39 C ATOM 438 C SER A 748 -11.831 -9.056 21.601 1.00 11.41 C ANISOU 438 C SER A 748 1955 1189 1192 18 463 141 C ATOM 439 O SER A 748 -11.843 -10.059 22.293 1.00 14.00 O ANISOU 439 O SER A 748 2228 1368 1725 107 546 359 O ATOM 440 CB SER A 748 -14.171 -9.661 20.835 1.00 14.61 C ANISOU 440 CB SER A 748 1814 1675 2062 -227 364 257 C ATOM 441 OG SER A 748 -15.347 -9.185 20.193 1.00 16.65 O ANISOU 441 OG SER A 748 1781 1983 2564 -459 150 319 O ATOM 0 H SER A 748 -13.201 -6.919 19.930 1.00 10.70 H new ATOM 0 HA SER A 748 -13.496 -7.936 21.724 1.00 11.97 H new ATOM 0 HB2 SER A 748 -13.773 -10.366 20.301 1.00 14.61 H new ATOM 0 HB3 SER A 748 -14.405 -10.051 21.692 1.00 14.61 H new ATOM 0 HG SER A 748 -15.744 -8.645 20.699 1.00 16.65 H new ATOM 447 N LEU A 749 -10.748 -8.320 21.387 1.00 11.05 N ANISOU 447 N LEU A 749 1956 1207 1035 46 252 183 N ATOM 448 CA LEU A 749 -9.428 -8.658 21.887 1.00 11.66 C ANISOU 448 CA LEU A 749 2007 1396 1029 320 216 168 C ATOM 449 C LEU A 749 -8.980 -7.764 23.027 1.00 13.60 C ANISOU 449 C LEU A 749 2086 1977 1104 492 -8 -69 C ATOM 450 O LEU A 749 -7.942 -8.029 23.650 1.00 16.51 O ANISOU 450 O LEU A 749 2197 2486 1592 678 -325 -223 O ATOM 451 CB LEU A 749 -8.386 -8.651 20.766 1.00 11.13 C ANISOU 451 CB LEU A 749 1801 1319 1108 186 209 66 C ATOM 452 CG LEU A 749 -8.608 -9.717 19.725 1.00 11.75 C ANISOU 452 CG LEU A 749 1981 1332 1152 93 137 70 C ATOM 453 CD1 LEU A 749 -7.637 -9.544 18.602 1.00 13.19 C ANISOU 453 CD1 LEU A 749 2194 1516 1302 109 346 6 C ATOM 454 CD2 LEU A 749 -8.571 -11.117 20.268 1.00 13.83 C ANISOU 454 CD2 LEU A 749 2273 1302 1681 185 240 36 C ATOM 0 H LEU A 749 -10.764 -7.589 20.934 1.00 11.05 H new ATOM 0 HA LEU A 749 -9.501 -9.558 22.241 1.00 11.66 H new ATOM 0 HB2 LEU A 749 -8.393 -7.782 20.334 1.00 11.13 H new ATOM 0 HB3 LEU A 749 -7.505 -8.768 21.154 1.00 11.13 H new ATOM 0 HG LEU A 749 -9.512 -9.597 19.394 1.00 11.75 H new ATOM 0 HD11 LEU A 749 -7.786 -10.233 17.936 1.00 13.19 H new ATOM 0 HD12 LEU A 749 -7.762 -8.672 18.197 1.00 13.19 H new ATOM 0 HD13 LEU A 749 -6.732 -9.615 18.943 1.00 13.19 H new ATOM 0 HD21 LEU A 749 -8.721 -11.748 19.547 1.00 13.83 H new ATOM 0 HD22 LEU A 749 -7.705 -11.286 20.670 1.00 13.83 H new ATOM 0 HD23 LEU A 749 -9.264 -11.223 20.938 1.00 13.83 H new ATOM 466 N MET A 750 -9.750 -6.701 23.285 1.00 14.10 N ANISOU 466 N MET A 750 2047 2025 1285 398 -56 -308 N ATOM 467 CA MET A 750 -9.537 -5.763 24.383 1.00 15.13 C ANISOU 467 CA MET A 750 2208 2221 1318 211 -66 -301 C ATOM 468 C MET A 750 -10.912 -5.315 24.882 1.00 13.27 C ANISOU 468 C MET A 750 2006 1761 1275 199 227 -220 C ATOM 469 O MET A 750 -11.860 -5.400 24.067 1.00 12.42 O ANISOU 469 O MET A 750 1823 1561 1337 72 390 193 O ATOM 470 CB MET A 750 -8.752 -4.464 23.889 1.00 16.07 C ANISOU 470 CB MET A 750 2389 2506 1212 342 -197 -110 C ATOM 471 CG MET A 750 -7.288 -4.609 23.998 1.00 21.36 C ANISOU 471 CG MET A 750 3074 2885 2158 452 -1 52 C ATOM 472 SD MET A 750 -6.722 -2.958 23.840 1.00 24.09 S ANISOU 472 SD MET A 750 3705 3100 2347 432 34 166 S ATOM 473 CE MET A 750 -6.985 -2.213 25.410 1.00 26.04 C ANISOU 473 CE MET A 750 3712 3468 2713 237 -79 267 C ATOM 474 OXT MET A 750 -11.020 -4.738 25.975 1.00 15.71 O ANISOU 474 OXT MET A 750 2395 2032 1544 338 351 -291 O ATOM 0 H MET A 750 -10.435 -6.503 22.805 1.00 14.10 H new ATOM 0 HA MET A 750 -9.017 -6.200 25.075 1.00 15.13 H new ATOM 0 HB2 MET A 750 -8.987 -4.280 22.966 1.00 16.07 H new ATOM 0 HB3 MET A 750 -9.038 -3.699 24.413 1.00 16.07 H new ATOM 0 HG2 MET A 750 -7.027 -4.999 24.847 1.00 21.36 H new ATOM 0 HG3 MET A 750 -6.930 -5.181 23.301 1.00 21.36 H new ATOM 0 HE1 MET A 750 -6.347 -1.494 25.538 1.00 26.04 H new ATOM 0 HE2 MET A 750 -7.886 -1.856 25.452 1.00 26.04 H new ATOM 0 HE3 MET A 750 -6.868 -2.877 26.107 1.00 26.04 H new TER 484 MET A 750 HETATM 485 O1 P6G A 801 16.271 12.501 19.704 0.50 36.62 O ANISOU 485 O1 P6G A 801 5605 5176 3132 710 -957 104 O HETATM 486 C2 P6G A 801 16.437 13.298 18.582 0.50 41.67 C ANISOU 486 C2 P6G A 801 5829 5726 4280 677 -721 153 C HETATM 487 C3 P6G A 801 15.155 14.106 18.409 0.50 46.18 C ANISOU 487 C3 P6G A 801 6135 6268 5145 722 -330 118 C HETATM 488 O4 P6G A 801 14.078 13.320 18.855 0.50 43.60 O ANISOU 488 O4 P6G A 801 6242 6191 4132 931 176 99 O HETATM 489 C5 P6G A 801 12.812 13.926 18.789 0.50 40.71 C ANISOU 489 C5 P6G A 801 6228 5673 3566 1148 670 362 C HETATM 490 C6 P6G A 801 12.185 13.783 17.400 0.50 40.15 C ANISOU 490 C6 P6G A 801 6251 5109 3893 1130 1087 677 C HETATM 491 O7 P6G A 801 11.499 12.554 17.258 0.50 40.77 O ANISOU 491 O7 P6G A 801 6415 4532 4542 975 1145 961 O HETATM 492 C8 P6G A 801 12.037 11.674 16.305 0.50 44.03 C ANISOU 492 C8 P6G A 801 6731 4169 5830 829 865 826 C HETATM 493 C9 P6G A 801 11.047 11.356 15.196 0.50 49.96 C ANISOU 493 C9 P6G A 801 7248 4009 7727 792 270 407 C HETATM 494 O10 P6G A 801 11.756 10.766 14.138 0.50 52.06 O ANISOU 494 O10 P6G A 801 7626 4026 8129 778 -393 273 O HETATM 495 C11 P6G A 801 11.578 11.270 12.848 0.50 51.19 C ANISOU 495 C11 P6G A 801 7663 4143 7643 851 -344 814 C HETATM 496 C12 P6G A 801 12.852 11.038 12.030 0.50 49.38 C ANISOU 496 C12 P6G A 801 7445 4485 6832 1108 464 1662 C HETATM 497 O13 P6G A 801 13.234 12.192 11.320 0.50 48.06 O ANISOU 497 O13 P6G A 801 7338 4969 5955 1434 1801 2008 O HETATM 498 C14 P6G A 801 14.607 12.474 11.393 0.50 49.79 C ANISOU 498 C14 P6G A 801 7439 5649 5829 1522 2792 2088 C HETATM 499 C15 P6G A 801 14.966 13.754 10.633 0.50 55.07 C ANISOU 499 C15 P6G A 801 7755 6642 6527 1427 3108 2315 C HETATM 500 O16 P6G A 801 13.918 14.689 10.668 0.50 59.19 O ANISOU 500 O16 P6G A 801 7992 7750 6746 1359 2724 2698 O HETATM 501 C17 P6G A 801 13.878 15.543 9.558 0.50 62.46 C ANISOU 501 C17 P6G A 801 7855 8955 6922 1656 2473 3323 C HETATM 502 C18 P6G A 801 13.157 16.843 9.892 0.50 64.30 C ANISOU 502 C18 P6G A 801 7427 9819 7183 2019 2536 3807 C HETATM 503 O19 P6G A 801 12.268 16.640 10.944 0.50 64.47 O ANISOU 503 O19 P6G A 801 7107 10164 7225 2400 2625 4169 O HETATM 0 H182 P6G A 801 13.802 17.527 10.132 0.50 64.30 H new HETATM 0 H181 P6G A 801 12.678 17.165 9.112 0.50 64.30 H new HETATM 0 H172 P6G A 801 14.781 15.737 9.263 0.50 62.46 H new HETATM 0 H171 P6G A 801 13.428 15.100 8.822 0.50 62.46 H new HETATM 0 H152 P6G A 801 15.764 14.147 11.019 0.50 55.07 H new HETATM 0 H151 P6G A 801 15.175 13.536 9.711 0.50 55.07 H new HETATM 0 H142 P6G A 801 14.869 12.565 12.322 0.50 49.79 H new HETATM 0 H141 P6G A 801 15.110 11.729 11.028 0.50 49.79 H new HETATM 0 H122 P6G A 801 13.572 10.769 12.622 0.50 49.38 H new HETATM 0 H121 P6G A 801 12.709 10.308 11.408 0.50 49.38 H new HETATM 0 H112 P6G A 801 10.824 10.834 12.421 0.50 51.19 H new HETATM 0 H111 P6G A 801 11.374 12.218 12.886 0.50 51.19 H new HETATM 0 H92 P6G A 801 10.357 10.755 15.519 0.50 49.96 H new HETATM 0 H91 P6G A 801 10.602 12.164 14.897 0.50 49.96 H new HETATM 0 H82 P6G A 801 12.837 12.066 15.920 0.50 44.03 H new HETATM 0 H81 P6G A 801 12.306 10.851 16.742 0.50 44.03 H new HETATM 0 H62 P6G A 801 11.570 14.517 17.246 0.50 40.15 H new HETATM 0 H61 P6G A 801 12.878 13.847 16.724 0.50 40.15 H new HETATM 0 H52 P6G A 801 12.227 13.525 19.451 0.50 40.71 H new HETATM 0 H51 P6G A 801 12.892 14.866 19.013 0.50 40.71 H new HETATM 0 H32 P6G A 801 15.204 14.932 18.916 0.50 46.18 H new HETATM 0 H31 P6G A 801 15.032 14.351 17.479 0.50 46.18 H new HETATM 0 H22 P6G A 801 17.201 13.886 18.690 0.50 41.67 H new HETATM 0 H21 P6G A 801 16.607 12.754 17.797 0.50 41.67 H new HETATM 0 H19 P6G A 801 12.481 15.942 11.360 0.50 64.47 H new HETATM 0 H1 P6G A 801 15.455 12.456 19.897 0.50 36.62 H new HETATM 530 O HOH A 901 -9.522 9.117 19.439 1.00 22.71 O ANISOU 530 O HOH A 901 2344 3366 2917 802 -125 -1396 O HETATM 531 O HOH A 902 0.002 20.163 17.383 0.50 34.70 O ANISOU 531 O HOH A 902 3789 6596 2801 2778 -122 -223 O HETATM 532 O HOH A 903 0.567 16.967 22.117 1.00 21.89 O ANISOU 532 O HOH A 903 4072 2382 1865 -750 1280 -235 O HETATM 533 O HOH A 904 1.925 8.238 24.156 1.00 44.83 O ANISOU 533 O HOH A 904 6720 4266 6048 -830 -1511 1177 O HETATM 534 O HOH A 905 1.154 12.992 26.068 1.00 46.97 O ANISOU 534 O HOH A 905 2912 5962 8972 184 579 -3084 O HETATM 535 O HOH A 906 -16.042 -4.376 22.357 1.00 28.15 O ANISOU 535 O HOH A 906 2937 4851 2909 -228 1683 24 O HETATM 536 O HOH A 907 -14.532 -0.299 18.873 1.00 25.90 O ANISOU 536 O HOH A 907 2309 3999 3532 -490 618 -1262 O HETATM 537 O HOH A 908 -15.476 -8.975 17.419 1.00 24.83 O ANISOU 537 O HOH A 908 2642 2976 3817 -1157 -310 -70 O HETATM 538 O HOH A 909 -7.851 8.107 17.445 1.00 14.70 O ANISOU 538 O HOH A 909 1869 1740 1975 148 148 -463 O HETATM 539 O HOH A 910 -9.528 2.348 28.107 1.00 34.14 O ANISOU 539 O HOH A 910 4003 6168 2802 -154 322 -2070 O HETATM 540 O HOH A 911 -8.931 7.539 14.334 1.00 34.91 O ANISOU 540 O HOH A 911 6263 2214 4788 -674 533 384 O HETATM 541 O HOH A 912 -10.620 -1.911 26.917 1.00 35.57 O ANISOU 541 O HOH A 912 2941 2691 7883 -55 -1082 1395 O HETATM 542 O HOH A 913 -5.186 16.347 14.191 1.00 46.98 O ANISOU 542 O HOH A 913 2577 9489 5783 657 168 -1311 O HETATM 543 O HOH A 914 -16.406 -7.266 22.579 1.00 30.76 O ANISOU 543 O HOH A 914 4805 2447 4437 1086 2676 1045 O HETATM 544 O HOH A 915 -16.299 -2.561 20.871 1.00 37.40 O ANISOU 544 O HOH A 915 2817 4157 7236 135 583 -2772 O HETATM 545 O HOH A 916 -14.174 1.400 20.682 1.00 36.85 O ANISOU 545 O HOH A 916 6113 4366 3522 -2071 2181 -618 O CONECT 485 486 504 CONECT 486 485 487 505 506 CONECT 487 486 488 507 508 CONECT 488 487 489 CONECT 489 488 490 509 510 CONECT 490 489 491 511 512 CONECT 491 490 492 CONECT 492 491 493 513 514 CONECT 493 492 494 515 516 CONECT 494 493 495 CONECT 495 494 496 517 518 CONECT 496 495 497 519 520 CONECT 497 496 498 CONECT 498 497 499 521 522 CONECT 499 498 500 523 524 CONECT 500 499 501 CONECT 501 500 502 525 526 CONECT 502 501 503 527 528 CONECT 503 502 529 CONECT 504 485 CONECT 505 486 CONECT 506 486 CONECT 507 487 CONECT 508 487 CONECT 509 489 CONECT 510 489 CONECT 511 490 CONECT 512 490 CONECT 513 492 CONECT 514 492 CONECT 515 493 CONECT 516 493 CONECT 517 495 CONECT 518 495 CONECT 519 496 CONECT 520 496 CONECT 521 498 CONECT 522 498 CONECT 523 499 CONECT 524 499 CONECT 525 501 CONECT 526 501 CONECT 527 502 CONECT 528 502 CONECT 529 503 END