HEADER CELL CYCLE 29-JUN-04 1TVG TITLE X-RAY STRUCTURE OF HUMAN PP25 GENE PRODUCT, HSPC034. TITLE 2 NORTHEAST STRUCTURAL GENOMICS TARGET HR1958. COMPND MOL_ID: 1; COMPND 2 MOLECULE: LOC51668 PROTEIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: ANAPHASE-PROMOTING COMPLEX, SUBUNIT 10 (APC10), COMPND 5 HR1958; COMPND 6 ENGINEERED: YES; COMPND 7 OTHER_DETAILS: THIS PROTEIN IS PROBABLY A MUTANT BECAUSE COMPND 8 ASP109 IS DELETED. SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606 KEYWDS CELL CYCLE, STRUCTURAL GENOMICS, PSI, PROTEIN STRUCTURE KEYWDS 2 INITIATIVE, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM, NESG EXPDTA X-RAY DIFFRACTION AUTHOR A.P.KUZIN,S.M.VOROBIEV,I.LEE,T.B.ACTON,G.T.MONTELIONE, AUTHOR 2 L.TONG,J.F.HUNT,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM AUTHOR 3 (NESG) REVDAT 4 09-JUN-09 1TVG 1 JRNL REVDAT 3 24-FEB-09 1TVG 1 VERSN REVDAT 2 24-OCT-06 1TVG 1 KEYWDS AUTHOR JRNL REVDAT 1 09-NOV-04 1TVG 0 JRNL AUTH T.A.RAMELOT,S.RAMAN,A.P.KUZIN,R.XIAO,L.C.MA, JRNL AUTH 2 T.B.ACTON,J.F.HUNT,G.T.MONTELIONE,D.BAKER, JRNL AUTH 3 M.A.KENNEDY JRNL TITL IMPROVING NMR PROTEIN STRUCTURE QUALITY BY ROSETTA JRNL TITL 2 REFINEMENT: A MOLECULAR REPLACEMENT STUDY. JRNL REF PROTEINS V. 75 147 2009 JRNL REFN ISSN 0887-3585 JRNL PMID 18816799 JRNL DOI 10.1002/PROT.22229 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.60 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.60 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 29.74 REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 488056.060 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 93.5 REMARK 3 NUMBER OF REFLECTIONS : 32294 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.215 REMARK 3 FREE R VALUE : 0.244 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.900 REMARK 3 FREE R VALUE TEST SET COUNT : 3200 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.004 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.60 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.70 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 84.50 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 4364 REMARK 3 BIN R VALUE (WORKING SET) : 0.2270 REMARK 3 BIN FREE R VALUE : 0.2800 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 10.30 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 501 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.012 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1084 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 2 REMARK 3 SOLVENT ATOMS : 116 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 11.20 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 14.70 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -1.42000 REMARK 3 B22 (A**2) : 0.92000 REMARK 3 B33 (A**2) : 0.50000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : -0.23000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.19 REMARK 3 ESD FROM SIGMAA (A) : 0.06 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.23 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.06 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.005 REMARK 3 BOND ANGLES (DEGREES) : 1.30 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 26.50 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.66 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.340 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.980 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.250 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.330 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.38 REMARK 3 BSOL : 38.68 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 3 : ION.PARAM REMARK 3 PARAMETER FILE 4 : ION_SM.PARAM REMARK 3 PARAMETER FILE 5 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : WATER.TOP REMARK 3 TOPOLOGY FILE 3 : ION.TOP REMARK 3 TOPOLOGY FILE 4 : ION_SM.TOP REMARK 3 TOPOLOGY FILE 5 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1TVG COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-OCT-04. REMARK 100 THE RCSB ID CODE IS RCSB022940. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 02-APR-04 REMARK 200 TEMPERATURE (KELVIN) : 100.0 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : NSLS REMARK 200 BEAMLINE : X4A REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97896 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 48903 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.400 REMARK 200 RESOLUTION RANGE LOW (A) : 30.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : NULL REMARK 200 DATA REDUNDANCY : 3.590 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.07100 REMARK 200 FOR THE DATA SET : 18.4700 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.40 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.45 REMARK 200 COMPLETENESS FOR SHELL (%) : 60.0 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.40700 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 1.650 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD FOR SM DERIVATIVE REMARK 200 SOFTWARE USED: SOLVE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 39.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.00 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 18% PEG, 200 MM CACL(2), VAPOR REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z 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 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 35.48700 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 20.80850 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 35.48700 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 20.80850 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 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A -9 REMARK 465 GLY A -8 REMARK 465 HIS A -7 REMARK 465 HIS A -6 REMARK 465 HIS A -5 REMARK 465 HIS A -4 REMARK 465 HIS A -3 REMARK 465 HIS A -2 REMARK 465 SER A -1 REMARK 465 HIS A 0 REMARK 465 MET A 1 REMARK 465 ARG A 2 REMARK 465 LYS A 3 REMARK 465 ASN A 141 REMARK 465 LEU A 142 REMARK 465 SER A 143 REMARK 465 SER A 144 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 ASP A 5 -123.59 53.43 REMARK 500 TRP A 88 -63.79 -125.27 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 422 DISTANCE = 6.34 ANGSTROMS REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 221 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 THR A 37 OG1 REMARK 620 2 ASN A 29 O 93.8 REMARK 620 3 HIS A 130 O 146.6 81.5 REMARK 620 4 HOH A 334 O 139.0 101.4 73.9 REMARK 620 5 ASP A 32 OD1 71.8 77.6 137.6 74.7 REMARK 620 6 ASN A 34 O 81.6 171.8 106.1 78.3 94.5 REMARK 620 7 THR A 37 O 68.4 95.2 79.1 145.6 138.9 89.3 REMARK 620 N 1 2 3 4 5 6 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 SM A 331 SM REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 92 OD2 REMARK 620 2 ASP A 92 OD2 107.8 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 221 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SM A 331 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: HR1958 RELATED DB: TARGETDB DBREF 1TVG A 1 143 UNP Q9Y547 Q9Y547_HUMAN 1 144 SEQADV 1TVG MET A -9 UNP Q9Y547 EXPRESSION TAG SEQADV 1TVG GLY A -8 UNP Q9Y547 EXPRESSION TAG SEQADV 1TVG HIS A -7 UNP Q9Y547 EXPRESSION TAG SEQADV 1TVG HIS A -6 UNP Q9Y547 EXPRESSION TAG SEQADV 1TVG HIS A -5 UNP Q9Y547 EXPRESSION TAG SEQADV 1TVG HIS A -4 UNP Q9Y547 EXPRESSION TAG SEQADV 1TVG HIS A -3 UNP Q9Y547 EXPRESSION TAG SEQADV 1TVG HIS A -2 UNP Q9Y547 EXPRESSION TAG SEQADV 1TVG SER A -1 UNP Q9Y547 EXPRESSION TAG SEQADV 1TVG HIS A 0 UNP Q9Y547 EXPRESSION TAG SEQADV 1TVG A UNP Q9Y547 ASP 109 DELETION SEQRES 1 A 153 MET GLY HIS HIS HIS HIS HIS HIS SER HIS MET ARG LYS SEQRES 2 A 153 ILE ASP LEU CYS LEU SER SER GLU GLY SER GLU VAL ILE SEQRES 3 A 153 LEU ALA THR SER SER ASP GLU LYS HIS PRO PRO GLU ASN SEQRES 4 A 153 ILE ILE ASP GLY ASN PRO GLU THR PHE TRP THR THR THR SEQRES 5 A 153 GLY MET PHE PRO GLN GLU PHE ILE ILE CYS PHE HIS LYS SEQRES 6 A 153 HIS VAL ARG ILE GLU ARG LEU VAL ILE GLN SER TYR PHE SEQRES 7 A 153 VAL GLN THR LEU LYS ILE GLU LYS SER THR SER LYS GLU SEQRES 8 A 153 PRO VAL ASP PHE GLU GLN TRP ILE GLU LYS ASP LEU VAL SEQRES 9 A 153 HIS THR GLU GLY GLN LEU GLN ASN GLU GLU ILE VAL ALA SEQRES 10 A 153 HIS GLY SER ALA THR TYR LEU ARG PHE ILE ILE VAL SER SEQRES 11 A 153 ALA PHE ASP HIS PHE ALA SER VAL HIS SER VAL SER ALA SEQRES 12 A 153 GLU GLY THR VAL VAL SER ASN LEU SER SER HET CA A 221 1 HET SM A 331 1 HETNAM CA CALCIUM ION HETNAM SM SAMARIUM (III) ION FORMUL 2 CA CA 2+ FORMUL 3 SM SM 3+ FORMUL 4 HOH *116(H2 O) HELIX 1 1 ILE A 4 GLY A 12 5 9 HELIX 2 2 PRO A 26 ASP A 32 5 7 SHEET 1 A 5 GLU A 14 ILE A 16 0 SHEET 2 A 5 GLN A 47 TYR A 67 -1 O CYS A 52 N GLU A 14 SHEET 3 A 5 GLY A 110 ALA A 122 -1 O GLY A 110 N ILE A 59 SHEET 4 A 5 VAL A 69 SER A 77 -1 N SER A 77 O THR A 113 SHEET 5 A 5 GLU A 86 ASP A 92 -1 O ILE A 89 N ILE A 74 SHEET 1 B 4 TRP A 39 THR A 40 0 SHEET 2 B 4 SER A 128 VAL A 139 -1 O VAL A 129 N TRP A 39 SHEET 3 B 4 GLN A 47 TYR A 67 -1 N HIS A 56 O VAL A 139 SHEET 4 B 4 GLN A 101 ILE A 105 -1 O GLN A 101 N SER A 66 LINK CA CA A 221 OG1 THR A 37 1555 1555 2.65 LINK CA CA A 221 O ASN A 29 1555 1555 2.37 LINK CA CA A 221 O HIS A 130 1555 1555 2.55 LINK CA CA A 221 O HOH A 334 1555 1555 2.62 LINK CA CA A 221 OD1 ASP A 32 1555 1555 2.64 LINK CA CA A 221 O ASN A 34 1555 1555 2.46 LINK CA CA A 221 O THR A 37 1555 1555 2.57 LINK SM SM A 331 OD2 ASP A 92 1555 1555 2.27 LINK SM SM A 331 OD2 ASP A 92 1555 2656 2.95 CISPEP 1 PHE A 45 PRO A 46 0 0.78 SITE 1 AC1 6 ASN A 29 ASP A 32 ASN A 34 THR A 37 SITE 2 AC1 6 HIS A 130 HOH A 334 SITE 1 AC2 1 ASP A 92 CRYST1 70.974 41.617 46.779 90.00 102.19 90.00 C 1 2 1 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.014090 0.000000 0.003044 0.00000 SCALE2 0.000000 0.024029 0.000000 0.00000 SCALE3 0.000000 0.000000 0.021870 0.00000 REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 1TVG.PDB, MODEL/S 1 1TVG.PDB REMARK PdbStat -- SEQRES 1 A 254 ILE ASP LEU CYS LEU SER SER GLU GLY SER GLU VAL ILE SEQRES 2 A 254 LEU ALA THR SER SER ASP GLU LYS HIS PRO PRO GLU ASN SEQRES 3 A 254 ILE ILE ASP GLY ASN PRO GLU THR PHE TRP THR THR THR SEQRES 4 A 254 GLY MET PHE PRO GLN GLU PHE ILE ILE CYS PHE HIS LYS SEQRES 5 A 254 HIS VAL ARG ILE GLU ARG LEU VAL ILE GLN SER TYR PHE SEQRES 6 A 254 VAL GLN THR LEU LYS ILE GLU LYS SER THR SER LYS GLU SEQRES 7 A 254 PRO VAL ASP PHE GLU GLN TRP ILE GLU LYS ASP LEU VAL SEQRES 8 A 254 HIS THR GLU GLY GLN LEU GLN ASN GLU GLU ILE VAL ALA SEQRES 9 A 254 HIS GLY SER ALA THR TYR LEU ARG PHE ILE ILE VAL SER SEQRES 10 A 254 ALA PHE ASP HIS PHE ALA SER VAL HIS SER VAL SER ALA SEQRES 11 A 254 GLU GLY THR VAL VAL SER CA SM HOH HOH HOH HOH HOH SEQRES 12 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 13 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 18 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 19 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 20 A 254 HOH HOH HOH HOH HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 1TVG.PDB, MODEL/S 1 1TVG.PDB REMARK PdbStat -- SEQRES 1 A 254 ILE ASP LEU CYS LEU SER SER GLU GLY SER GLU VAL ILE SEQRES 2 A 254 LEU ALA THR SER SER ASP GLU LYS HIS PRO PRO GLU ASN SEQRES 3 A 254 ILE ILE ASP GLY ASN PRO GLU THR PHE TRP THR THR THR SEQRES 4 A 254 GLY MET PHE PRO GLN GLU PHE ILE ILE CYS PHE HIS LYS SEQRES 5 A 254 HIS VAL ARG ILE GLU ARG LEU VAL ILE GLN SER TYR PHE SEQRES 6 A 254 VAL GLN THR LEU LYS ILE GLU LYS SER THR SER LYS GLU SEQRES 7 A 254 PRO VAL ASP PHE GLU GLN TRP ILE GLU LYS ASP LEU VAL SEQRES 8 A 254 HIS THR GLU GLY GLN LEU GLN ASN GLU GLU ILE VAL ALA SEQRES 9 A 254 HIS GLY SER ALA THR TYR LEU ARG PHE ILE ILE VAL SER SEQRES 10 A 254 ALA PHE ASP HIS PHE ALA SER VAL HIS SER VAL SER ALA SEQRES 11 A 254 GLU GLY THR VAL VAL SER CA SM HOH HOH HOH HOH HOH SEQRES 12 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 13 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 18 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 19 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 20 A 254 HOH HOH HOH HOH HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 1TVG.PDB, MODEL/S 1 1TVG.PDB REMARK PdbStat -- SEQRES 1 A 254 ILE ASP LEU CYS LEU SER SER GLU GLY SER GLU VAL ILE SEQRES 2 A 254 LEU ALA THR SER SER ASP GLU LYS HIS PRO PRO GLU ASN SEQRES 3 A 254 ILE ILE ASP GLY ASN PRO GLU THR PHE TRP THR THR THR SEQRES 4 A 254 GLY MET PHE PRO GLN GLU PHE ILE ILE CYS PHE HIS LYS SEQRES 5 A 254 HIS VAL ARG ILE GLU ARG LEU VAL ILE GLN SER TYR PHE SEQRES 6 A 254 VAL GLN THR LEU LYS ILE GLU LYS SER THR SER LYS GLU SEQRES 7 A 254 PRO VAL ASP PHE GLU GLN TRP ILE GLU LYS ASP LEU VAL SEQRES 8 A 254 HIS THR GLU GLY GLN LEU GLN ASN GLU GLU ILE VAL ALA SEQRES 9 A 254 HIS GLY SER ALA THR TYR LEU ARG PHE ILE ILE VAL SER SEQRES 10 A 254 ALA PHE ASP HIS PHE ALA SER VAL HIS SER VAL SER ALA SEQRES 11 A 254 GLU GLY THR VAL VAL SER CA SM HOH HOH HOH HOH HOH SEQRES 12 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 13 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 18 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 19 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 20 A 254 HOH HOH HOH HOH HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 1TVG.PDB, MODEL/S 1 1TVG.PDB REMARK PdbStat -- SEQRES 1 A 254 ILE ASP LEU CYS LEU SER SER GLU GLY SER GLU VAL ILE SEQRES 2 A 254 LEU ALA THR SER SER ASP GLU LYS HIS PRO PRO GLU ASN SEQRES 3 A 254 ILE ILE ASP GLY ASN PRO GLU THR PHE TRP THR THR THR SEQRES 4 A 254 GLY MET PHE PRO GLN GLU PHE ILE ILE CYS PHE HIS LYS SEQRES 5 A 254 HIS VAL ARG ILE GLU ARG LEU VAL ILE GLN SER TYR PHE SEQRES 6 A 254 VAL GLN THR LEU LYS ILE GLU LYS SER THR SER LYS GLU SEQRES 7 A 254 PRO VAL ASP PHE GLU GLN TRP ILE GLU LYS ASP LEU VAL SEQRES 8 A 254 HIS THR GLU GLY GLN LEU GLN ASN GLU GLU ILE VAL ALA SEQRES 9 A 254 HIS GLY SER ALA THR TYR LEU ARG PHE ILE ILE VAL SER SEQRES 10 A 254 ALA PHE ASP HIS PHE ALA SER VAL HIS SER VAL SER ALA SEQRES 11 A 254 GLU GLY THR VAL VAL SER CA SM HOH HOH HOH HOH HOH SEQRES 12 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 13 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 18 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 19 A 254 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 20 A 254 HOH HOH HOH HOH HOH HOH HOH MODEL 1 REMARK CONFORMATION 1 ENERGY 0.0000 REMARK FAMILY or FILE: 1TVG.pdb ATOM 1 N ILE A 14 -4.662 2.800 7.486 1.00 27.35 N ATOM 2 CA ILE A 14 -5.749 3.085 8.456 1.00 22.96 C ATOM 3 C ILE A 14 -6.944 3.687 7.716 1.00 22.42 C ATOM 4 O ILE A 14 -6.948 3.762 6.482 1.00 17.43 O ATOM 5 CB ILE A 14 -5.252 4.056 9.578 1.00 26.60 C ATOM 6 CG1 ILE A 14 -6.009 3.789 10.881 1.00 27.96 C ATOM 7 CG2 ILE A 14 -5.448 5.506 9.151 1.00 27.87 C ATOM 8 CD1 ILE A 14 -5.488 4.584 12.073 1.00 28.88 C ATOM 9 N ASP A 15 -7.947 4.110 8.479 1.00 21.57 N ATOM 10 CA ASP A 15 -9.177 4.684 7.942 1.00 21.77 C ATOM 11 C ASP A 15 -9.818 3.759 6.912 1.00 17.92 C ATOM 12 O ASP A 15 -10.099 2.604 7.212 1.00 18.97 O ATOM 13 CB ASP A 15 -8.931 6.053 7.309 1.00 25.70 C ATOM 14 CG ASP A 15 -10.185 6.912 7.292 1.00 28.88 C ATOM 15 OD1 ASP A 15 -10.424 7.621 6.290 1.00 32.51 O ATOM 16 OD2 ASP A 15 -10.934 6.880 8.291 1.00 30.97 O ATOM 17 N LEU A 16 -10.039 4.266 5.701 1.00 14.52 N ATOM 18 CA LEU A 16 -10.667 3.484 4.636 1.00 12.30 C ATOM 19 C LEU A 16 -10.003 2.143 4.338 1.00 11.07 C ATOM 20 O LEU A 16 -10.682 1.192 3.961 1.00 10.80 O ATOM 21 CB LEU A 16 -10.717 4.291 3.339 1.00 13.70 C ATOM 22 CG LEU A 16 -11.624 5.515 3.260 1.00 12.56 C ATOM 23 CD1 LEU A 16 -11.355 6.227 1.944 1.00 12.57 C ATOM 24 CD2 LEU A 16 -13.092 5.104 3.352 1.00 14.31 C ATOM 25 N CYS A 17 -8.685 2.077 4.500 1.00 10.98 N ATOM 26 CA CYS A 17 -7.934 0.860 4.209 1.00 10.02 C ATOM 27 C CYS A 17 -7.990 -0.229 5.273 1.00 9.90 C ATOM 28 O CYS A 17 -7.640 -1.374 5.003 1.00 7.70 O ATOM 29 CB CYS A 17 -6.462 1.206 3.951 1.00 8.56 C ATOM 30 SG CYS A 17 -6.183 2.176 2.465 1.00 10.21 S ATOM 31 N LEU A 18 -8.418 0.122 6.479 1.00 9.58 N ATOM 32 CA LEU A 18 -8.462 -0.843 7.569 1.00 9.42 C ATOM 33 C LEU A 18 -9.292 -2.083 7.277 1.00 9.18 C ATOM 34 O LEU A 18 -10.377 -2.004 6.704 1.00 9.58 O ATOM 35 CB LEU A 18 -8.982 -0.177 8.840 1.00 9.30 C ATOM 36 CG LEU A 18 -8.061 0.859 9.487 1.00 10.57 C ATOM 37 CD1 LEU A 18 -8.838 1.606 10.557 1.00 12.37 C ATOM 38 CD2 LEU A 18 -6.837 0.179 10.085 1.00 12.08 C ATOM 39 N SER A 19 -8.765 -3.235 7.672 1.00 10.36 N ATOM 40 CA SER A 19 -9.474 -4.488 7.473 1.00 12.57 C ATOM 41 C SER A 19 -10.733 -4.465 8.337 1.00 13.71 C ATOM 42 O SER A 19 -11.731 -5.104 8.010 1.00 12.50 O ATOM 43 CB SER A 19 -8.583 -5.669 7.860 1.00 13.76 C ATOM 44 OG SER A 19 -8.124 -5.538 9.189 1.00 18.22 O ATOM 45 N SER A 20 -10.681 -3.718 9.436 1.00 14.24 N ATOM 46 CA SER A 20 -11.829 -3.605 10.334 1.00 15.25 C ATOM 47 C SER A 20 -12.948 -2.824 9.648 1.00 16.34 C ATOM 48 O SER A 20 -14.101 -2.845 10.089 1.00 16.36 O ATOM 49 CB SER A 20 -11.420 -2.902 11.631 1.00 15.12 C ATOM 50 OG SER A 20 -10.991 -1.571 11.388 1.00 16.50 O ATOM 51 N GLU A 21 -12.599 -2.127 8.570 1.00 15.52 N ATOM 52 CA GLU A 21 -13.574 -1.357 7.809 1.00 14.46 C ATOM 53 C GLU A 21 -14.078 -2.178 6.626 1.00 14.08 C ATOM 54 O GLU A 21 -14.902 -1.707 5.837 1.00 15.69 O ATOM 55 CB GLU A 21 -12.956 -0.048 7.312 1.00 15.72 C ATOM 56 CG GLU A 21 -12.746 0.987 8.402 1.00 16.85 C ATOM 57 CD GLU A 21 -14.048 1.398 9.068 1.00 20.08 C ATOM 58 OE1 GLU A 21 -14.996 1.766 8.343 1.00 18.60 O ATOM 59 OE2 GLU A 21 -14.119 1.361 10.316 1.00 22.46 O ATOM 60 N GLY A 22 -13.569 -3.402 6.498 1.00 13.17 N ATOM 61 CA GLY A 22 -14.000 -4.267 5.418 1.00 11.21 C ATOM 62 C GLY A 22 -13.022 -4.438 4.271 1.00 11.26 C ATOM 63 O GLY A 22 -13.239 -5.267 3.392 1.00 12.76 O ATOM 64 N SER A 23 -11.942 -3.666 4.277 1.00 11.63 N ATOM 65 CA SER A 23 -10.955 -3.754 3.214 1.00 10.17 C ATOM 66 C SER A 23 -10.090 -5.002 3.359 1.00 9.22 C ATOM 67 O SER A 23 -10.054 -5.633 4.420 1.00 8.62 O ATOM 68 CB SER A 23 -10.096 -2.490 3.205 1.00 11.28 C ATOM 69 OG SER A 23 -10.922 -1.350 3.021 1.00 10.93 O ATOM 70 N GLU A 24 -9.396 -5.362 2.286 1.00 9.64 N ATOM 71 CA GLU A 24 -8.563 -6.556 2.299 1.00 9.50 C ATOM 72 C GLU A 24 -7.368 -6.408 1.366 1.00 8.09 C ATOM 73 O GLU A 24 -7.459 -5.755 0.327 1.00 8.70 O ATOM 74 CB GLU A 24 -9.426 -7.758 1.878 1.00 11.57 C ATOM 75 CG GLU A 24 -8.679 -9.020 1.482 1.00 15.30 C ATOM 76 CD GLU A 24 -9.620 -10.127 1.020 1.00 16.00 C ATOM 77 OE1 GLU A 24 -10.579 -9.825 0.276 1.00 17.22 O ATOM 78 OE2 GLU A 24 -9.398 -11.297 1.391 1.00 17.29 O ATOM 79 N VAL A 25 -6.244 -6.999 1.750 1.00 7.82 N ATOM 80 CA VAL A 25 -5.061 -6.954 0.911 1.00 8.02 C ATOM 81 C VAL A 25 -5.037 -8.255 0.128 1.00 8.62 C ATOM 82 O VAL A 25 -5.119 -9.344 0.709 1.00 9.77 O ATOM 83 CB VAL A 25 -3.764 -6.835 1.731 1.00 7.30 C ATOM 84 CG1 VAL A 25 -2.578 -6.786 0.784 1.00 8.78 C ATOM 85 CG2 VAL A 25 -3.799 -5.570 2.587 1.00 8.92 C ATOM 86 N ILE A 26 -4.942 -8.141 -1.191 1.00 7.50 N ATOM 87 CA ILE A 26 -4.919 -9.311 -2.052 1.00 7.59 C ATOM 88 C ILE A 26 -3.798 -9.235 -3.082 1.00 7.21 C ATOM 89 O ILE A 26 -3.194 -8.185 -3.294 1.00 5.92 O ATOM 90 CB ILE A 26 -6.266 -9.463 -2.808 1.00 8.18 C ATOM 91 CG1 ILE A 26 -6.533 -8.212 -3.655 1.00 9.98 C ATOM 92 CG2 ILE A 26 -7.390 -9.701 -1.813 1.00 10.01 C ATOM 93 CD1 ILE A 26 -7.813 -8.268 -4.480 1.00 9.28 C ATOM 94 N LEU A 27 -3.505 -10.374 -3.697 1.00 7.71 N ATOM 95 CA LEU A 27 -2.511 -10.447 -4.746 1.00 6.88 C ATOM 96 C LEU A 27 -1.146 -9.864 -4.405 1.00 7.62 C ATOM 97 O LEU A 27 -0.567 -9.134 -5.205 1.00 9.28 O ATOM 98 CB LEU A 27 -3.075 -9.780 -6.007 1.00 9.15 C ATOM 99 CG LEU A 27 -4.362 -10.463 -6.477 1.00 10.60 C ATOM 100 CD1 LEU A 27 -5.137 -9.576 -7.443 1.00 12.26 C ATOM 101 CD2 LEU A 27 -3.996 -11.802 -7.110 1.00 9.57 C ATOM 102 N ALA A 28 -0.644 -10.186 -3.214 1.00 7.37 N ATOM 103 CA ALA A 28 0.677 -9.725 -2.790 1.00 6.86 C ATOM 104 C ALA A 28 1.716 -10.662 -3.418 1.00 7.42 C ATOM 105 O ALA A 28 1.490 -11.873 -3.521 1.00 8.78 O ATOM 106 CB ALA A 28 0.782 -9.757 -1.273 1.00 7.31 C ATOM 107 N THR A 29 2.852 -10.107 -3.832 1.00 5.44 N ATOM 108 CA THR A 29 3.897 -10.895 -4.484 1.00 5.96 C ATOM 109 C THR A 29 4.828 -11.630 -3.521 1.00 5.71 C ATOM 110 O THR A 29 5.713 -12.383 -3.940 1.00 7.90 O ATOM 111 CB THR A 29 4.719 -10.011 -5.442 1.00 5.87 C ATOM 112 OG1 THR A 29 5.119 -8.818 -4.760 1.00 5.60 O ATOM 113 CG2 THR A 29 3.889 -9.647 -6.667 1.00 8.33 C ATOM 114 N SER A 30 4.622 -11.413 -2.229 1.00 6.07 N ATOM 115 CA SER A 30 5.391 -12.096 -1.198 1.00 9.60 C ATOM 116 C SER A 30 4.394 -12.581 -0.163 1.00 11.15 C ATOM 117 O SER A 30 3.412 -11.900 0.120 1.00 11.67 O ATOM 118 CB SER A 30 6.406 -11.157 -0.547 1.00 10.26 C ATOM 119 OG SER A 30 7.508 -10.952 -1.412 1.00 7.27 O ATOM 120 N SER A 31 4.638 -13.764 0.389 1.00 14.80 N ATOM 121 CA SER A 31 3.743 -14.333 1.387 1.00 18.42 C ATOM 122 C SER A 31 4.499 -14.982 2.543 1.00 20.00 C ATOM 123 O SER A 31 4.275 -16.151 2.860 1.00 20.86 O ATOM 124 CB SER A 31 2.817 -15.363 0.731 1.00 20.06 C ATOM 125 OG SER A 31 3.562 -16.383 0.085 1.00 24.37 O ATOM 126 N ASP A 32 5.396 -14.223 3.167 1.00 19.09 N ATOM 127 CA ASP A 32 6.158 -14.730 4.302 1.00 20.08 C ATOM 128 C ASP A 32 5.194 -14.920 5.468 1.00 19.75 C ATOM 129 O ASP A 32 4.487 -13.991 5.857 1.00 17.89 O ATOM 130 CB ASP A 32 7.256 -13.738 4.688 1.00 21.99 C ATOM 131 CG ASP A 32 8.035 -14.179 5.910 1.00 27.10 C ATOM 132 OD1 ASP A 32 8.721 -15.220 5.838 1.00 29.92 O ATOM 133 OD2 ASP A 32 7.956 -13.485 6.945 1.00 29.21 O ATOM 134 N GLU A 33 5.172 -16.129 6.019 1.00 20.91 N ATOM 135 CA GLU A 33 4.290 -16.467 7.130 1.00 22.19 C ATOM 136 C GLU A 33 4.469 -15.542 8.335 1.00 21.14 C ATOM 137 O GLU A 33 3.520 -15.290 9.078 1.00 21.43 O ATOM 138 CB GLU A 33 4.534 -17.920 7.559 1.00 25.04 C ATOM 139 CG GLU A 33 3.541 -18.453 8.582 1.00 30.76 C ATOM 140 CD GLU A 33 3.887 -19.855 9.057 1.00 33.20 C ATOM 141 OE1 GLU A 33 4.018 -20.764 8.206 1.00 35.07 O ATOM 142 OE2 GLU A 33 4.027 -20.049 10.284 1.00 36.47 O ATOM 143 N LYS A 34 5.685 -15.042 8.523 1.00 20.37 N ATOM 144 CA LYS A 34 5.993 -14.159 9.644 1.00 20.15 C ATOM 145 C LYS A 34 5.551 -12.722 9.383 1.00 18.56 C ATOM 146 O LYS A 34 5.411 -11.929 10.318 1.00 18.56 O ATOM 147 CB LYS A 34 7.499 -14.173 9.923 1.00 22.38 C ATOM 148 CG LYS A 34 8.088 -15.557 10.166 1.00 25.56 C ATOM 149 CD LYS A 34 9.613 -15.511 10.242 1.00 27.98 C ATOM 150 CE LYS A 34 10.231 -15.093 8.910 1.00 28.77 C ATOM 151 NZ LYS A 34 11.721 -15.038 8.967 1.00 30.36 N ATOM 152 N HIS A 35 5.333 -12.391 8.114 1.00 16.02 N ATOM 153 CA HIS A 35 4.936 -11.035 7.736 1.00 15.33 C ATOM 154 C HIS A 35 3.896 -11.028 6.619 1.00 14.04 C ATOM 155 O HIS A 35 4.172 -10.586 5.499 1.00 11.12 O ATOM 156 CB HIS A 35 6.172 -10.252 7.290 1.00 16.29 C ATOM 157 CG HIS A 35 7.278 -10.254 8.298 1.00 16.04 C ATOM 158 ND1 HIS A 35 7.175 -9.618 9.516 1.00 16.46 N ATOM 159 CD2 HIS A 35 8.491 -10.853 8.283 1.00 16.43 C ATOM 160 CE1 HIS A 35 8.280 -9.830 10.211 1.00 16.31 C ATOM 161 NE2 HIS A 35 9.093 -10.575 9.487 1.00 17.60 N ATOM 162 N PRO A 36 2.678 -11.501 6.918 1.00 13.07 N ATOM 163 CA PRO A 36 1.560 -11.576 5.970 1.00 12.92 C ATOM 164 C PRO A 36 1.039 -10.235 5.461 1.00 11.28 C ATOM 165 O PRO A 36 1.206 -9.202 6.110 1.00 9.56 O ATOM 166 CB PRO A 36 0.500 -12.350 6.749 1.00 13.63 C ATOM 167 CG PRO A 36 0.758 -11.941 8.157 1.00 14.52 C ATOM 168 CD PRO A 36 2.268 -11.992 8.247 1.00 14.18 C ATOM 169 N PRO A 37 0.400 -10.241 4.278 1.00 10.33 N ATOM 170 CA PRO A 37 -0.160 -9.038 3.657 1.00 10.85 C ATOM 171 C PRO A 37 -1.140 -8.296 4.558 1.00 10.45 C ATOM 172 O PRO A 37 -1.184 -7.063 4.559 1.00 9.35 O ATOM 173 CB PRO A 37 -0.843 -9.585 2.405 1.00 12.26 C ATOM 174 CG PRO A 37 0.027 -10.729 2.030 1.00 10.89 C ATOM 175 CD PRO A 37 0.298 -11.393 3.361 1.00 11.85 C ATOM 176 N GLU A 38 -1.927 -9.046 5.321 1.00 11.86 N ATOM 177 CA GLU A 38 -2.916 -8.445 6.208 1.00 12.78 C ATOM 178 C GLU A 38 -2.287 -7.437 7.175 1.00 10.26 C ATOM 179 O GLU A 38 -2.976 -6.564 7.703 1.00 11.38 O ATOM 180 CB GLU A 38 -3.644 -9.542 6.994 1.00 15.15 C ATOM 181 CG GLU A 38 -2.757 -10.294 7.974 1.00 21.84 C ATOM 182 CD GLU A 38 -3.465 -11.466 8.637 1.00 25.73 C ATOM 183 OE1 GLU A 38 -4.583 -11.271 9.160 1.00 27.76 O ATOM 184 OE2 GLU A 38 -2.899 -12.581 8.641 1.00 28.77 O ATOM 185 N ASN A 39 -0.978 -7.558 7.391 1.00 9.98 N ATOM 186 CA ASN A 39 -0.242 -6.668 8.294 1.00 9.52 C ATOM 187 C ASN A 39 -0.206 -5.225 7.795 1.00 8.18 C ATOM 188 O ASN A 39 0.092 -4.314 8.547 1.00 8.06 O ATOM 189 CB ASN A 39 1.202 -7.155 8.483 1.00 9.18 C ATOM 190 CG ASN A 39 1.324 -8.280 9.497 1.00 10.02 C ATOM 191 OD1 ASN A 39 2.415 -8.812 9.719 1.00 12.20 O ATOM 192 ND2 ASN A 39 0.211 -8.640 10.122 1.00 8.64 N ATOM 193 N ILE A 40 -0.505 -5.009 6.522 1.00 6.44 N ATOM 194 CA ILE A 40 -0.497 -3.662 5.963 1.00 7.13 C ATOM 195 C ILE A 40 -1.703 -2.828 6.410 1.00 8.22 C ATOM 196 O ILE A 40 -1.628 -1.599 6.467 1.00 7.24 O ATOM 197 CB ILE A 40 -0.466 -3.741 4.412 1.00 5.86 C ATOM 198 CG1 ILE A 40 0.847 -4.377 3.962 1.00 5.01 C ATOM 199 CG2 ILE A 40 -0.635 -2.351 3.786 1.00 5.28 C ATOM 200 CD1 ILE A 40 0.811 -4.882 2.529 1.00 6.06 C ATOM 201 N ILE A 41 -2.803 -3.492 6.752 1.00 8.66 N ATOM 202 CA ILE A 41 -4.011 -2.776 7.145 1.00 9.31 C ATOM 203 C ILE A 41 -4.632 -3.139 8.500 1.00 9.77 C ATOM 204 O ILE A 41 -5.850 -3.068 8.663 1.00 10.56 O ATOM 205 CB ILE A 41 -5.095 -2.915 6.042 1.00 8.38 C ATOM 206 CG1 ILE A 41 -5.476 -4.384 5.828 1.00 7.26 C ATOM 207 CG2 ILE A 41 -4.557 -2.359 4.730 1.00 8.13 C ATOM 208 CD1 ILE A 41 -6.573 -4.584 4.787 1.00 8.19 C ATOM 209 N ASP A 42 -3.805 -3.494 9.481 1.00 10.66 N ATOM 210 CA ASP A 42 -4.333 -3.858 10.791 1.00 11.85 C ATOM 211 C ASP A 42 -4.249 -2.763 11.854 1.00 12.01 C ATOM 212 O ASP A 42 -4.558 -3.003 13.022 1.00 14.74 O ATOM 213 CB ASP A 42 -3.660 -5.137 11.303 1.00 12.29 C ATOM 214 CG ASP A 42 -2.164 -4.993 11.463 1.00 12.76 C ATOM 215 OD1 ASP A 42 -1.630 -3.905 11.149 1.00 10.43 O ATOM 216 OD2 ASP A 42 -1.513 -5.968 11.904 1.00 14.38 O ATOM 217 N GLY A 43 -3.838 -1.568 11.448 1.00 11.23 N ATOM 218 CA GLY A 43 -3.742 -0.454 12.376 1.00 14.56 C ATOM 219 C GLY A 43 -2.674 -0.587 13.447 1.00 14.70 C ATOM 220 O GLY A 43 -2.763 0.050 14.495 1.00 17.45 O ATOM 221 N ASN A 44 -1.662 -1.404 13.187 1.00 13.60 N ATOM 222 CA ASN A 44 -0.575 -1.610 14.139 1.00 12.26 C ATOM 223 C ASN A 44 0.736 -1.211 13.471 1.00 12.42 C ATOM 224 O ASN A 44 1.190 -1.878 12.554 1.00 11.49 O ATOM 225 CB ASN A 44 -0.518 -3.086 14.554 1.00 13.10 C ATOM 226 CG ASN A 44 0.536 -3.356 15.611 1.00 12.74 C ATOM 227 OD1 ASN A 44 1.622 -2.773 15.581 1.00 13.69 O ATOM 228 ND2 ASN A 44 0.230 -4.258 16.539 1.00 16.16 N ATOM 229 N PRO A 45 1.374 -0.130 13.933 1.00 12.99 N ATOM 230 CA PRO A 45 2.632 0.299 13.324 1.00 12.35 C ATOM 231 C PRO A 45 3.793 -0.689 13.374 1.00 12.78 C ATOM 232 O PRO A 45 4.700 -0.602 12.550 1.00 12.45 O ATOM 233 CB PRO A 45 2.946 1.603 14.057 1.00 12.76 C ATOM 234 CG PRO A 45 2.360 1.373 15.387 1.00 12.57 C ATOM 235 CD PRO A 45 1.038 0.720 15.085 1.00 11.82 C ATOM 236 N GLU A 46 3.796 -1.633 14.312 1.00 12.07 N ATOM 237 CA GLU A 46 4.932 -2.550 14.324 1.00 12.41 C ATOM 238 C GLU A 46 4.824 -3.833 13.499 1.00 12.24 C ATOM 239 O GLU A 46 5.840 -4.464 13.217 1.00 13.63 O ATOM 240 CB GLU A 46 5.418 -2.850 15.758 1.00 15.05 C ATOM 241 CG GLU A 46 4.453 -3.418 16.765 1.00 15.09 C ATOM 242 CD GLU A 46 5.183 -3.756 18.071 1.00 14.80 C ATOM 243 OE1 GLU A 46 6.113 -3.005 18.438 1.00 11.64 O ATOM 244 OE2 GLU A 46 4.841 -4.758 18.727 1.00 14.54 O ATOM 245 N THR A 47 3.619 -4.213 13.083 1.00 10.87 N ATOM 246 CA THR A 47 3.482 -5.400 12.238 1.00 8.61 C ATOM 247 C THR A 47 3.634 -4.948 10.788 1.00 9.08 C ATOM 248 O THR A 47 3.197 -3.860 10.420 1.00 7.54 O ATOM 249 CB THR A 47 2.107 -6.074 12.377 1.00 9.54 C ATOM 250 OG1 THR A 47 1.079 -5.162 11.974 1.00 7.97 O ATOM 251 CG2 THR A 47 1.856 -6.492 13.810 1.00 10.22 C ATOM 252 N PHE A 48 4.259 -5.776 9.966 1.00 7.95 N ATOM 253 CA PHE A 48 4.454 -5.401 8.574 1.00 8.66 C ATOM 254 C PHE A 48 4.514 -6.565 7.606 1.00 7.72 C ATOM 255 O PHE A 48 4.671 -7.726 7.996 1.00 9.24 O ATOM 256 CB PHE A 48 5.747 -4.597 8.421 1.00 8.35 C ATOM 257 CG PHE A 48 6.978 -5.319 8.911 1.00 9.48 C ATOM 258 CD1 PHE A 48 7.315 -5.308 10.262 1.00 7.68 C ATOM 259 CD2 PHE A 48 7.811 -5.996 8.020 1.00 10.49 C ATOM 260 CE1 PHE A 48 8.466 -5.958 10.722 1.00 9.94 C ATOM 261 CE2 PHE A 48 8.969 -6.652 8.471 1.00 10.76 C ATOM 262 CZ PHE A 48 9.293 -6.629 9.823 1.00 11.34 C ATOM 263 N TRP A 49 4.359 -6.224 6.330 1.00 7.12 N ATOM 264 CA TRP A 49 4.457 -7.184 5.237 1.00 6.47 C ATOM 265 C TRP A 49 5.849 -6.905 4.682 1.00 6.49 C ATOM 266 O TRP A 49 6.262 -5.747 4.601 1.00 7.58 O ATOM 267 CB TRP A 49 3.406 -6.882 4.161 1.00 6.15 C ATOM 268 CG TRP A 49 3.615 -7.605 2.847 1.00 5.72 C ATOM 269 CD1 TRP A 49 3.327 -8.913 2.571 1.00 5.35 C ATOM 270 CD2 TRP A 49 4.123 -7.041 1.630 1.00 5.99 C ATOM 271 NE1 TRP A 49 3.620 -9.196 1.253 1.00 6.02 N ATOM 272 CE2 TRP A 49 4.110 -8.065 0.655 1.00 5.68 C ATOM 273 CE3 TRP A 49 4.587 -5.769 1.267 1.00 5.20 C ATOM 274 CZ2 TRP A 49 4.538 -7.854 -0.662 1.00 6.33 C ATOM 275 CZ3 TRP A 49 5.014 -5.560 -0.044 1.00 8.00 C ATOM 276 CH2 TRP A 49 4.986 -6.600 -0.991 1.00 6.13 C ATOM 277 N THR A 50 6.586 -7.946 4.314 1.00 7.25 N ATOM 278 CA THR A 50 7.911 -7.719 3.771 1.00 8.19 C ATOM 279 C THR A 50 8.104 -8.490 2.475 1.00 7.87 C ATOM 280 O THR A 50 7.440 -9.505 2.241 1.00 8.50 O ATOM 281 CB THR A 50 9.011 -8.128 4.781 1.00 9.64 C ATOM 282 OG1 THR A 50 10.246 -7.496 4.419 1.00 11.25 O ATOM 283 CG2 THR A 50 9.205 -9.637 4.786 1.00 11.20 C ATOM 284 N THR A 51 8.999 -7.996 1.626 1.00 6.89 N ATOM 285 CA THR A 51 9.271 -8.670 0.364 1.00 6.51 C ATOM 286 C THR A 51 10.279 -9.789 0.597 1.00 7.30 C ATOM 287 O THR A 51 11.146 -9.698 1.479 1.00 9.01 O ATOM 288 CB THR A 51 9.823 -7.700 -0.706 1.00 4.20 C ATOM 289 OG1 THR A 51 11.068 -7.136 -0.265 1.00 6.55 O ATOM 290 CG2 THR A 51 8.817 -6.576 -0.961 1.00 5.40 C ATOM 291 N THR A 52 10.152 -10.839 -0.207 1.00 8.43 N ATOM 292 CA THR A 52 11.013 -12.009 -0.111 1.00 9.83 C ATOM 293 C THR A 52 11.756 -12.336 -1.401 1.00 12.58 C ATOM 294 O THR A 52 12.681 -13.149 -1.393 1.00 15.17 O ATOM 295 CB THR A 52 10.198 -13.256 0.283 1.00 10.86 C ATOM 296 OG1 THR A 52 9.183 -13.496 -0.704 1.00 13.42 O ATOM 297 CG2 THR A 52 9.538 -13.053 1.636 1.00 13.97 C ATOM 298 N GLY A 53 11.357 -11.712 -2.504 1.00 12.25 N ATOM 299 CA GLY A 53 12.010 -11.995 -3.771 1.00 10.77 C ATOM 300 C GLY A 53 12.570 -10.778 -4.474 1.00 9.62 C ATOM 301 O GLY A 53 13.029 -9.833 -3.829 1.00 10.28 O ATOM 302 N MET A 54 12.549 -10.809 -5.805 1.00 8.18 N ATOM 303 CA MET A 54 13.066 -9.703 -6.599 1.00 7.72 C ATOM 304 C MET A 54 11.985 -8.680 -6.919 1.00 6.63 C ATOM 305 O MET A 54 10.843 -8.816 -6.478 1.00 9.46 O ATOM 306 CB MET A 54 13.718 -10.227 -7.876 1.00 7.87 C ATOM 307 CG MET A 54 14.974 -11.054 -7.610 1.00 10.32 C ATOM 308 SD MET A 54 16.389 -10.178 -6.850 1.00 8.02 S ATOM 309 CE MET A 54 17.111 -9.434 -8.303 1.00 12.66 C ATOM 310 N PHE A 55 12.345 -7.657 -7.688 1.00 5.59 N ATOM 311 CA PHE A 55 11.410 -6.579 -7.993 1.00 6.07 C ATOM 312 C PHE A 55 10.994 -6.456 -9.454 1.00 6.24 C ATOM 313 O PHE A 55 11.664 -6.970 -10.348 1.00 7.03 O ATOM 314 CB PHE A 55 12.016 -5.255 -7.506 1.00 5.87 C ATOM 315 CG PHE A 55 12.306 -5.242 -6.035 1.00 5.68 C ATOM 316 CD1 PHE A 55 13.454 -5.849 -5.531 1.00 8.84 C ATOM 317 CD2 PHE A 55 11.390 -4.691 -5.142 1.00 5.12 C ATOM 318 CE1 PHE A 55 13.688 -5.908 -4.157 1.00 7.24 C ATOM 319 CE2 PHE A 55 11.614 -4.744 -3.758 1.00 5.46 C ATOM 320 CZ PHE A 55 12.766 -5.359 -3.269 1.00 7.37 C ATOM 321 N PRO A 56 9.865 -5.777 -9.713 1.00 7.18 N ATOM 322 CA PRO A 56 8.982 -5.118 -8.743 1.00 7.35 C ATOM 323 C PRO A 56 8.143 -6.074 -7.888 1.00 6.60 C ATOM 324 O PRO A 56 7.863 -7.203 -8.282 1.00 6.95 O ATOM 325 CB PRO A 56 8.104 -4.228 -9.622 1.00 7.70 C ATOM 326 CG PRO A 56 8.024 -5.003 -10.903 1.00 10.71 C ATOM 327 CD PRO A 56 9.451 -5.464 -11.092 1.00 7.82 C ATOM 328 N GLN A 57 7.764 -5.601 -6.706 1.00 6.12 N ATOM 329 CA GLN A 57 6.924 -6.354 -5.782 1.00 4.31 C ATOM 330 C GLN A 57 5.648 -5.528 -5.677 1.00 6.27 C ATOM 331 O GLN A 57 5.675 -4.328 -5.938 1.00 6.82 O ATOM 332 CB GLN A 57 7.583 -6.428 -4.403 1.00 4.90 C ATOM 333 CG GLN A 57 8.798 -7.325 -4.328 1.00 4.55 C ATOM 334 CD GLN A 57 8.437 -8.743 -3.953 1.00 4.54 C ATOM 335 OE1 GLN A 57 7.423 -8.981 -3.301 1.00 7.26 O ATOM 336 NE2 GLN A 57 9.283 -9.694 -4.336 1.00 7.03 N ATOM 337 N GLU A 58 4.531 -6.144 -5.310 1.00 6.07 N ATOM 338 CA GLU A 58 3.307 -5.363 -5.187 1.00 6.87 C ATOM 339 C GLU A 58 2.227 -6.063 -4.392 1.00 7.37 C ATOM 340 O GLU A 58 2.347 -7.229 -4.035 1.00 7.10 O ATOM 341 CB GLU A 58 2.742 -5.007 -6.571 1.00 10.64 C ATOM 342 CG GLU A 58 2.312 -6.192 -7.418 1.00 12.85 C ATOM 343 CD GLU A 58 1.506 -5.755 -8.627 1.00 15.82 C ATOM 344 OE1 GLU A 58 0.264 -5.907 -8.613 1.00 15.55 O ATOM 345 OE2 GLU A 58 2.117 -5.235 -9.586 1.00 18.91 O ATOM 346 N PHE A 59 1.173 -5.312 -4.105 1.00 4.88 N ATOM 347 CA PHE A 59 0.017 -5.838 -3.411 1.00 5.05 C ATOM 348 C PHE A 59 -1.119 -4.903 -3.751 1.00 6.09 C ATOM 349 O PHE A 59 -0.896 -3.759 -4.144 1.00 6.02 O ATOM 350 CB PHE A 59 0.224 -5.925 -1.891 1.00 4.03 C ATOM 351 CG PHE A 59 0.493 -4.613 -1.232 1.00 3.54 C ATOM 352 CD1 PHE A 59 1.802 -4.171 -1.032 1.00 4.01 C ATOM 353 CD2 PHE A 59 -0.562 -3.820 -0.783 1.00 3.86 C ATOM 354 CE1 PHE A 59 2.056 -2.955 -0.398 1.00 5.89 C ATOM 355 CE2 PHE A 59 -0.315 -2.600 -0.146 1.00 5.06 C ATOM 356 CZ PHE A 59 0.991 -2.169 0.050 1.00 5.17 C ATOM 357 N ILE A 60 -2.337 -5.400 -3.618 1.00 4.75 N ATOM 358 CA ILE A 60 -3.504 -4.601 -3.938 1.00 5.21 C ATOM 359 C ILE A 60 -4.416 -4.510 -2.734 1.00 4.71 C ATOM 360 O ILE A 60 -4.598 -5.486 -2.011 1.00 6.58 O ATOM 361 CB ILE A 60 -4.278 -5.232 -5.111 1.00 6.09 C ATOM 362 CG1 ILE A 60 -3.461 -5.087 -6.398 1.00 7.67 C ATOM 363 CG2 ILE A 60 -5.646 -4.587 -5.250 1.00 7.80 C ATOM 364 CD1 ILE A 60 -4.017 -5.866 -7.578 1.00 7.48 C ATOM 365 N ILE A 61 -4.968 -3.324 -2.503 1.00 5.79 N ATOM 366 CA ILE A 61 -5.906 -3.152 -1.411 1.00 6.40 C ATOM 367 C ILE A 61 -7.288 -3.075 -2.039 1.00 6.45 C ATOM 368 O ILE A 61 -7.537 -2.251 -2.917 1.00 7.99 O ATOM 369 CB ILE A 61 -5.632 -1.867 -0.602 1.00 6.69 C ATOM 370 CG1 ILE A 61 -4.302 -2.003 0.140 1.00 8.93 C ATOM 371 CG2 ILE A 61 -6.755 -1.630 0.396 1.00 7.28 C ATOM 372 CD1 ILE A 61 -3.911 -0.779 0.939 1.00 10.05 C ATOM 373 N CYS A 62 -8.162 -3.977 -1.613 1.00 6.55 N ATOM 374 CA CYS A 62 -9.529 -4.042 -2.110 1.00 8.05 C ATOM 375 C CYS A 62 -10.431 -3.443 -1.046 1.00 8.08 C ATOM 376 O CYS A 62 -10.466 -3.929 0.083 1.00 9.37 O ATOM 377 CB CYS A 62 -9.910 -5.501 -2.366 1.00 8.08 C ATOM 378 SG CYS A 62 -11.631 -5.764 -2.831 1.00 13.61 S ATOM 379 N PHE A 63 -11.154 -2.383 -1.398 1.00 8.13 N ATOM 380 CA PHE A 63 -12.049 -1.735 -0.438 1.00 10.27 C ATOM 381 C PHE A 63 -13.380 -2.472 -0.284 1.00 10.95 C ATOM 382 O PHE A 63 -14.069 -2.304 0.719 1.00 12.54 O ATOM 383 CB PHE A 63 -12.329 -0.282 -0.851 1.00 10.09 C ATOM 384 CG PHE A 63 -11.122 0.620 -0.788 1.00 8.62 C ATOM 385 CD1 PHE A 63 -10.573 1.152 -1.952 1.00 11.20 C ATOM 386 CD2 PHE A 63 -10.540 0.941 0.437 1.00 9.61 C ATOM 387 CE1 PHE A 63 -9.456 1.999 -1.901 1.00 11.30 C ATOM 388 CE2 PHE A 63 -9.424 1.783 0.508 1.00 8.67 C ATOM 389 CZ PHE A 63 -8.881 2.314 -0.668 1.00 10.72 C ATOM 390 N HIS A 64 -13.728 -3.297 -1.270 1.00 13.29 N ATOM 391 CA HIS A 64 -14.988 -4.035 -1.254 1.00 14.48 C ATOM 392 C HIS A 64 -16.147 -3.045 -1.227 1.00 16.10 C ATOM 393 O HIS A 64 -17.219 -3.312 -0.677 1.00 15.97 O ATOM 394 CB HIS A 64 -15.054 -4.983 -0.052 1.00 15.78 C ATOM 395 CG HIS A 64 -14.266 -6.244 -0.238 1.00 14.96 C ATOM 396 ND1 HIS A 64 -13.198 -6.582 0.563 1.00 16.70 N ATOM 397 CD2 HIS A 64 -14.388 -7.241 -1.147 1.00 14.98 C ATOM 398 CE1 HIS A 64 -12.692 -7.734 0.155 1.00 13.39 C ATOM 399 NE2 HIS A 64 -13.395 -8.154 -0.880 1.00 17.52 N ATOM 400 N LYS A 65 -15.899 -1.892 -1.837 1.00 14.98 N ATOM 401 CA LYS A 65 -16.869 -0.813 -1.937 1.00 16.28 C ATOM 402 C LYS A 65 -16.211 0.311 -2.727 1.00 15.17 C ATOM 403 O LYS A 65 -15.022 0.236 -3.052 1.00 14.97 O ATOM 404 CB LYS A 65 -17.266 -0.313 -0.544 1.00 18.31 C ATOM 405 CG LYS A 65 -16.103 0.164 0.309 1.00 21.57 C ATOM 406 CD LYS A 65 -16.599 0.803 1.598 1.00 24.50 C ATOM 407 CE LYS A 65 -16.082 0.082 2.830 1.00 26.65 C ATOM 408 NZ LYS A 65 -16.606 -1.305 2.954 1.00 28.34 N ATOM 409 N HIS A 66 -16.981 1.346 -3.043 1.00 14.24 N ATOM 410 CA HIS A 66 -16.458 2.485 -3.789 1.00 15.32 C ATOM 411 C HIS A 66 -16.123 3.587 -2.800 1.00 14.49 C ATOM 412 O HIS A 66 -16.936 3.918 -1.941 1.00 15.68 O ATOM 413 CB HIS A 66 -17.504 3.003 -4.781 1.00 17.60 C ATOM 414 CG HIS A 66 -17.834 2.038 -5.876 1.00 20.96 C ATOM 415 ND1 HIS A 66 -17.280 2.121 -7.136 1.00 22.68 N ATOM 416 CD2 HIS A 66 -18.655 0.961 -5.898 1.00 21.66 C ATOM 417 CE1 HIS A 66 -17.746 1.140 -7.886 1.00 23.23 C ATOM 418 NE2 HIS A 66 -18.583 0.421 -7.158 1.00 22.73 N ATOM 419 N VAL A 67 -14.923 4.145 -2.917 1.00 13.40 N ATOM 420 CA VAL A 67 -14.503 5.211 -2.022 1.00 11.72 C ATOM 421 C VAL A 67 -13.918 6.398 -2.783 1.00 10.76 C ATOM 422 O VAL A 67 -13.506 6.278 -3.938 1.00 11.64 O ATOM 423 CB VAL A 67 -13.421 4.721 -1.016 1.00 10.82 C ATOM 424 CG1 VAL A 67 -13.941 3.541 -0.210 1.00 11.29 C ATOM 425 CG2 VAL A 67 -12.148 4.340 -1.760 1.00 9.53 C ATOM 426 N ARG A 68 -13.910 7.551 -2.123 1.00 8.49 N ATOM 427 CA ARG A 68 -13.330 8.764 -2.675 1.00 8.53 C ATOM 428 C ARG A 68 -12.228 9.134 -1.690 1.00 7.34 C ATOM 429 O ARG A 68 -12.490 9.415 -0.513 1.00 7.63 O ATOM 430 CB ARG A 68 -14.379 9.872 -2.792 1.00 10.21 C ATOM 431 CG ARG A 68 -15.179 9.769 -4.079 1.00 14.12 C ATOM 432 CD ARG A 68 -15.029 11.027 -4.920 1.00 21.21 C ATOM 433 NE ARG A 68 -15.914 12.081 -4.443 1.00 20.31 N ATOM 434 CZ ARG A 68 -15.933 13.325 -4.910 1.00 21.86 C ATOM 435 NH1 ARG A 68 -15.103 13.698 -5.875 1.00 23.38 N ATOM 436 NH2 ARG A 68 -16.806 14.191 -4.424 1.00 23.90 N ATOM 437 N ILE A 69 -10.993 9.095 -2.184 1.00 7.73 N ATOM 438 CA ILE A 69 -9.809 9.366 -1.381 1.00 7.02 C ATOM 439 C ILE A 69 -9.344 10.809 -1.479 1.00 8.81 C ATOM 440 O ILE A 69 -9.369 11.412 -2.552 1.00 8.76 O ATOM 441 CB ILE A 69 -8.653 8.433 -1.807 1.00 6.54 C ATOM 442 CG1 ILE A 69 -9.084 6.975 -1.617 1.00 9.22 C ATOM 443 CG2 ILE A 69 -7.392 8.751 -1.003 1.00 5.62 C ATOM 444 CD1 ILE A 69 -8.215 5.962 -2.351 1.00 10.86 C ATOM 445 N GLU A 70 -8.917 11.348 -0.342 1.00 9.24 N ATOM 446 CA GLU A 70 -8.432 12.718 -0.263 1.00 12.27 C ATOM 447 C GLU A 70 -7.006 12.760 0.278 1.00 11.01 C ATOM 448 O GLU A 70 -6.310 13.766 0.141 1.00 10.03 O ATOM 449 CB GLU A 70 -9.364 13.536 0.639 1.00 16.16 C ATOM 450 CG GLU A 70 -9.002 15.005 0.786 1.00 21.98 C ATOM 451 CD GLU A 70 -9.985 15.753 1.675 1.00 27.47 C ATOM 452 OE1 GLU A 70 -9.775 16.964 1.917 1.00 30.28 O ATOM 453 OE2 GLU A 70 -10.971 15.129 2.128 1.00 28.71 O ATOM 454 N ARG A 71 -6.564 11.663 0.887 1.00 10.09 N ATOM 455 CA ARG A 71 -5.219 11.612 1.452 1.00 11.67 C ATOM 456 C ARG A 71 -4.749 10.174 1.674 1.00 9.12 C ATOM 457 O ARG A 71 -5.539 9.290 2.003 1.00 9.75 O ATOM 458 CB ARG A 71 -5.204 12.394 2.773 1.00 15.19 C ATOM 459 CG ARG A 71 -3.880 12.419 3.518 1.00 19.45 C ATOM 460 CD ARG A 71 -3.894 13.547 4.546 1.00 22.75 C ATOM 461 NE ARG A 71 -3.025 13.278 5.683 1.00 28.34 N ATOM 462 CZ ARG A 71 -3.264 12.342 6.595 1.00 29.62 C ATOM 463 NH1 ARG A 71 -4.349 11.584 6.501 1.00 31.49 N ATOM 464 NH2 ARG A 71 -2.419 12.160 7.602 1.00 31.14 N ATOM 465 N LEU A 72 -3.457 9.948 1.469 1.00 9.63 N ATOM 466 CA LEU A 72 -2.868 8.630 1.667 1.00 8.45 C ATOM 467 C LEU A 72 -1.685 8.757 2.616 1.00 9.07 C ATOM 468 O LEU A 72 -0.937 9.729 2.555 1.00 9.48 O ATOM 469 CB LEU A 72 -2.364 8.058 0.338 1.00 12.14 C ATOM 470 CG LEU A 72 -3.348 7.753 -0.794 1.00 13.29 C ATOM 471 CD1 LEU A 72 -2.566 7.357 -2.034 1.00 16.26 C ATOM 472 CD2 LEU A 72 -4.289 6.630 -0.386 1.00 14.03 C ATOM 473 N VAL A 73 -1.525 7.789 3.509 1.00 6.74 N ATOM 474 CA VAL A 73 -0.385 7.812 4.416 1.00 9.55 C ATOM 475 C VAL A 73 0.266 6.450 4.335 1.00 7.91 C ATOM 476 O VAL A 73 -0.405 5.425 4.425 1.00 9.88 O ATOM 477 CB VAL A 73 -0.790 8.082 5.868 1.00 8.66 C ATOM 478 CG1 VAL A 73 0.442 8.007 6.763 1.00 10.71 C ATOM 479 CG2 VAL A 73 -1.436 9.453 5.977 1.00 10.84 C ATOM 480 N ILE A 74 1.577 6.432 4.159 1.00 6.99 N ATOM 481 CA ILE A 74 2.275 5.165 4.037 1.00 8.91 C ATOM 482 C ILE A 74 3.419 5.086 5.029 1.00 7.09 C ATOM 483 O ILE A 74 4.204 6.024 5.156 1.00 9.04 O ATOM 484 CB ILE A 74 2.822 4.998 2.611 1.00 11.81 C ATOM 485 CG1 ILE A 74 1.695 5.261 1.604 1.00 16.21 C ATOM 486 CG2 ILE A 74 3.366 3.599 2.421 1.00 13.19 C ATOM 487 CD1 ILE A 74 2.154 5.371 0.171 1.00 23.19 C ATOM 488 N GLN A 75 3.492 3.973 5.751 1.00 7.45 N ATOM 489 CA GLN A 75 4.552 3.752 6.729 1.00 7.62 C ATOM 490 C GLN A 75 5.305 2.538 6.212 1.00 7.17 C ATOM 491 O GLN A 75 4.720 1.472 6.062 1.00 7.60 O ATOM 492 CB GLN A 75 3.950 3.446 8.097 1.00 11.23 C ATOM 493 CG GLN A 75 4.906 3.639 9.242 1.00 17.92 C ATOM 494 CD GLN A 75 4.243 3.390 10.578 1.00 21.32 C ATOM 495 OE1 GLN A 75 4.074 2.243 10.997 1.00 22.44 O ATOM 496 NE2 GLN A 75 3.844 4.463 11.248 1.00 20.64 N ATOM 497 N SER A 76 6.599 2.694 5.959 1.00 7.06 N ATOM 498 CA SER A 76 7.385 1.601 5.397 1.00 6.61 C ATOM 499 C SER A 76 8.845 1.656 5.796 1.00 8.26 C ATOM 500 O SER A 76 9.245 2.464 6.629 1.00 7.49 O ATOM 501 CB SER A 76 7.294 1.668 3.871 1.00 6.49 C ATOM 502 OG SER A 76 7.768 2.930 3.412 1.00 6.93 O ATOM 503 N TYR A 77 9.641 0.783 5.188 1.00 7.67 N ATOM 504 CA TYR A 77 11.072 0.749 5.441 1.00 7.68 C ATOM 505 C TYR A 77 11.777 0.214 4.201 1.00 7.25 C ATOM 506 O TYR A 77 11.341 -0.768 3.601 1.00 6.69 O ATOM 507 CB TYR A 77 11.393 -0.141 6.647 1.00 8.50 C ATOM 508 CG TYR A 77 12.814 0.018 7.146 1.00 9.23 C ATOM 509 CD1 TYR A 77 13.304 1.269 7.515 1.00 9.20 C ATOM 510 CD2 TYR A 77 13.659 -1.081 7.262 1.00 11.79 C ATOM 511 CE1 TYR A 77 14.609 1.426 7.993 1.00 11.20 C ATOM 512 CE2 TYR A 77 14.964 -0.938 7.742 1.00 12.34 C ATOM 513 CZ TYR A 77 15.425 0.318 8.105 1.00 12.97 C ATOM 514 OH TYR A 77 16.702 0.466 8.606 1.00 15.72 O ATOM 515 N PHE A 78 12.853 0.886 3.814 1.00 6.78 N ATOM 516 CA PHE A 78 13.661 0.505 2.666 1.00 8.18 C ATOM 517 C PHE A 78 12.992 0.636 1.299 1.00 6.34 C ATOM 518 O PHE A 78 13.554 0.192 0.302 1.00 8.72 O ATOM 519 CB PHE A 78 14.199 -0.926 2.829 1.00 9.17 C ATOM 520 CG PHE A 78 15.375 -1.037 3.766 1.00 11.10 C ATOM 521 CD1 PHE A 78 16.218 0.048 3.988 1.00 11.93 C ATOM 522 CD2 PHE A 78 15.670 -2.248 4.383 1.00 13.95 C ATOM 523 CE1 PHE A 78 17.344 -0.074 4.814 1.00 13.49 C ATOM 524 CE2 PHE A 78 16.789 -2.381 5.207 1.00 14.96 C ATOM 525 CZ PHE A 78 17.626 -1.292 5.421 1.00 13.72 C ATOM 526 N VAL A 79 11.805 1.237 1.238 1.00 5.82 N ATOM 527 CA VAL A 79 11.144 1.425 -0.055 1.00 6.69 C ATOM 528 C VAL A 79 11.821 2.597 -0.762 1.00 8.17 C ATOM 529 O VAL A 79 11.871 3.698 -0.224 1.00 8.35 O ATOM 530 CB VAL A 79 9.640 1.757 0.099 1.00 5.75 C ATOM 531 CG1 VAL A 79 9.043 2.107 -1.272 1.00 5.46 C ATOM 532 CG2 VAL A 79 8.903 0.572 0.705 1.00 6.09 C ATOM 533 N GLN A 80 12.336 2.367 -1.965 1.00 8.43 N ATOM 534 CA GLN A 80 13.007 3.438 -2.699 1.00 10.52 C ATOM 535 C GLN A 80 12.043 4.183 -3.618 1.00 10.59 C ATOM 536 O GLN A 80 11.899 5.403 -3.524 1.00 13.56 O ATOM 537 CB GLN A 80 14.176 2.881 -3.513 1.00 13.27 C ATOM 538 CG GLN A 80 15.039 3.976 -4.130 1.00 18.50 C ATOM 539 CD GLN A 80 16.232 3.445 -4.895 1.00 22.43 C ATOM 540 OE1 GLN A 80 17.154 4.197 -5.222 1.00 25.99 O ATOM 541 NE2 GLN A 80 16.222 2.152 -5.195 1.00 24.16 N ATOM 542 N THR A 81 11.404 3.444 -4.519 1.00 9.56 N ATOM 543 CA THR A 81 10.430 4.010 -5.440 1.00 8.81 C ATOM 544 C THR A 81 9.134 3.246 -5.255 1.00 9.22 C ATOM 545 O THR A 81 9.109 2.016 -5.302 1.00 7.89 O ATOM 546 CB THR A 81 10.879 3.891 -6.913 1.00 9.62 C ATOM 547 OG1 THR A 81 12.055 4.681 -7.118 1.00 13.83 O ATOM 548 CG2 THR A 81 9.772 4.382 -7.845 1.00 10.73 C ATOM 549 N LEU A 82 8.060 3.996 -5.042 1.00 8.13 N ATOM 550 CA LEU A 82 6.741 3.434 -4.814 1.00 9.42 C ATOM 551 C LEU A 82 5.788 3.974 -5.874 1.00 10.51 C ATOM 552 O LEU A 82 5.723 5.178 -6.104 1.00 11.38 O ATOM 553 CB LEU A 82 6.279 3.839 -3.408 1.00 11.55 C ATOM 554 CG LEU A 82 5.010 3.298 -2.733 1.00 14.57 C ATOM 555 CD1 LEU A 82 3.802 4.047 -3.215 1.00 19.58 C ATOM 556 CD2 LEU A 82 4.888 1.812 -2.971 1.00 14.76 C ATOM 557 N LYS A 83 5.075 3.079 -6.546 1.00 9.71 N ATOM 558 CA LYS A 83 4.114 3.492 -7.556 1.00 10.13 C ATOM 559 C LYS A 83 2.741 3.099 -7.044 1.00 9.70 C ATOM 560 O LYS A 83 2.553 1.984 -6.568 1.00 10.81 O ATOM 561 CB LYS A 83 4.390 2.783 -8.885 1.00 12.97 C ATOM 562 CG LYS A 83 3.496 3.237 -10.025 1.00 18.54 C ATOM 563 CD LYS A 83 3.825 2.491 -11.308 1.00 22.88 C ATOM 564 CE LYS A 83 2.945 2.961 -12.455 1.00 23.79 C ATOM 565 NZ LYS A 83 3.238 2.224 -13.717 1.00 27.92 N ATOM 566 N ILE A 84 1.786 4.017 -7.128 1.00 8.64 N ATOM 567 CA ILE A 84 0.432 3.733 -6.678 1.00 8.76 C ATOM 568 C ILE A 84 -0.496 3.879 -7.870 1.00 8.83 C ATOM 569 O ILE A 84 -0.474 4.900 -8.552 1.00 9.40 O ATOM 570 CB ILE A 84 -0.032 4.717 -5.590 1.00 7.93 C ATOM 571 CG1 ILE A 84 0.970 4.730 -4.437 1.00 10.35 C ATOM 572 CG2 ILE A 84 -1.389 4.294 -5.054 1.00 11.83 C ATOM 573 CD1 ILE A 84 0.628 5.742 -3.362 1.00 12.42 C ATOM 574 N GLU A 85 -1.292 2.848 -8.125 1.00 9.14 N ATOM 575 CA GLU A 85 -2.240 2.865 -9.225 1.00 8.41 C ATOM 576 C GLU A 85 -3.629 2.660 -8.651 1.00 9.01 C ATOM 577 O GLU A 85 -3.783 2.167 -7.534 1.00 8.23 O ATOM 578 CB GLU A 85 -1.924 1.751 -10.230 1.00 10.27 C ATOM 579 CG GLU A 85 -0.503 1.781 -10.770 1.00 14.47 C ATOM 580 CD GLU A 85 -0.324 0.931 -12.015 1.00 17.60 C ATOM 581 OE1 GLU A 85 -0.924 -0.164 -12.090 1.00 21.51 O ATOM 582 OE2 GLU A 85 0.430 1.352 -12.918 1.00 20.57 O ATOM 583 N LYS A 86 -4.650 3.050 -9.399 1.00 6.88 N ATOM 584 CA LYS A 86 -5.998 2.874 -8.901 1.00 6.79 C ATOM 585 C LYS A 86 -6.944 2.364 -9.969 1.00 7.20 C ATOM 586 O LYS A 86 -6.736 2.574 -11.167 1.00 8.07 O ATOM 587 CB LYS A 86 -6.529 4.190 -8.308 1.00 11.21 C ATOM 588 CG LYS A 86 -6.766 5.307 -9.304 1.00 13.00 C ATOM 589 CD LYS A 86 -7.253 6.561 -8.586 1.00 16.80 C ATOM 590 CE LYS A 86 -7.847 7.578 -9.560 1.00 17.28 C ATOM 591 NZ LYS A 86 -9.130 7.105 -10.145 1.00 18.42 N ATOM 592 N SER A 87 -7.979 1.679 -9.506 1.00 6.48 N ATOM 593 CA SER A 87 -9.010 1.130 -10.370 1.00 7.64 C ATOM 594 C SER A 87 -10.371 1.431 -9.758 1.00 8.28 C ATOM 595 O SER A 87 -10.498 1.562 -8.534 1.00 6.71 O ATOM 596 CB SER A 87 -8.843 -0.380 -10.494 1.00 7.50 C ATOM 597 OG SER A 87 -9.993 -0.951 -11.097 1.00 12.04 O ATOM 598 N THR A 88 -11.381 1.553 -10.614 1.00 9.77 N ATOM 599 CA THR A 88 -12.739 1.804 -10.164 1.00 11.63 C ATOM 600 C THR A 88 -13.617 0.672 -10.670 1.00 10.64 C ATOM 601 O THR A 88 -14.838 0.754 -10.612 1.00 11.40 O ATOM 602 CB THR A 88 -13.293 3.136 -10.708 1.00 13.74 C ATOM 603 OG1 THR A 88 -13.167 3.161 -12.135 1.00 14.39 O ATOM 604 CG2 THR A 88 -12.537 4.315 -10.107 1.00 14.54 C ATOM 605 N SER A 89 -12.981 -0.385 -11.165 1.00 9.80 N ATOM 606 CA SER A 89 -13.698 -1.536 -11.705 1.00 9.91 C ATOM 607 C SER A 89 -14.192 -2.509 -10.634 1.00 10.17 C ATOM 608 O SER A 89 -13.772 -2.450 -9.478 1.00 9.50 O ATOM 609 CB SER A 89 -12.799 -2.272 -12.707 1.00 7.26 C ATOM 610 OG SER A 89 -12.373 -1.401 -13.741 1.00 11.54 O ATOM 611 N LYS A 90 -15.092 -3.408 -11.023 1.00 12.05 N ATOM 612 CA LYS A 90 -15.627 -4.397 -10.092 1.00 13.10 C ATOM 613 C LYS A 90 -14.523 -5.371 -9.670 1.00 13.54 C ATOM 614 O LYS A 90 -14.473 -5.826 -8.525 1.00 15.65 O ATOM 615 CB LYS A 90 -16.776 -5.168 -10.745 1.00 15.76 C ATOM 616 CG LYS A 90 -17.409 -6.233 -9.857 1.00 20.97 C ATOM 617 CD LYS A 90 -18.137 -5.615 -8.670 1.00 24.59 C ATOM 618 CE LYS A 90 -18.849 -6.679 -7.844 1.00 26.04 C ATOM 619 NZ LYS A 90 -19.551 -6.097 -6.666 1.00 27.39 N ATOM 620 N GLU A 91 -13.640 -5.681 -10.612 1.00 13.28 N ATOM 621 CA GLU A 91 -12.519 -6.580 -10.371 1.00 11.25 C ATOM 622 C GLU A 91 -11.220 -5.784 -10.408 1.00 10.18 C ATOM 623 O GLU A 91 -11.192 -4.653 -10.897 1.00 9.15 O ATOM 624 CB GLU A 91 -12.481 -7.676 -11.441 1.00 13.26 C ATOM 625 CG GLU A 91 -13.636 -8.653 -11.340 1.00 16.57 C ATOM 626 CD GLU A 91 -13.739 -9.261 -9.956 1.00 18.10 C ATOM 627 OE1 GLU A 91 -12.757 -9.896 -9.506 1.00 15.41 O ATOM 628 OE2 GLU A 91 -14.800 -9.100 -9.314 1.00 22.55 O ATOM 629 N PRO A 92 -10.124 -6.360 -9.878 1.00 8.89 N ATOM 630 CA PRO A 92 -8.829 -5.672 -9.872 1.00 8.38 C ATOM 631 C PRO A 92 -8.234 -5.649 -11.280 1.00 8.87 C ATOM 632 O PRO A 92 -7.260 -6.337 -11.580 1.00 8.59 O ATOM 633 CB PRO A 92 -8.003 -6.498 -8.886 1.00 8.98 C ATOM 634 CG PRO A 92 -8.555 -7.879 -9.066 1.00 7.97 C ATOM 635 CD PRO A 92 -10.049 -7.640 -9.155 1.00 8.95 C ATOM 636 N VAL A 93 -8.846 -4.846 -12.142 1.00 9.75 N ATOM 637 CA VAL A 93 -8.413 -4.723 -13.526 1.00 11.08 C ATOM 638 C VAL A 93 -8.415 -3.260 -13.941 1.00 11.97 C ATOM 639 O VAL A 93 -8.891 -2.396 -13.205 1.00 12.93 O ATOM 640 CB VAL A 93 -9.362 -5.497 -14.475 1.00 11.56 C ATOM 641 CG1 VAL A 93 -9.413 -6.965 -14.080 1.00 12.09 C ATOM 642 CG2 VAL A 93 -10.755 -4.891 -14.426 1.00 12.42 C ATOM 643 N ASP A 94 -7.878 -2.993 -15.125 1.00 12.48 N ATOM 644 CA ASP A 94 -7.826 -1.641 -15.662 1.00 14.03 C ATOM 645 C ASP A 94 -7.326 -0.598 -14.674 1.00 12.38 C ATOM 646 O ASP A 94 -8.012 0.385 -14.397 1.00 12.58 O ATOM 647 CB ASP A 94 -9.209 -1.241 -16.172 1.00 17.35 C ATOM 648 CG ASP A 94 -9.714 -2.170 -17.257 1.00 21.92 C ATOM 649 OD1 ASP A 94 -8.987 -2.361 -18.253 1.00 24.57 O ATOM 650 OD2 ASP A 94 -10.832 -2.703 -17.115 1.00 27.15 O ATOM 651 N PHE A 95 -6.137 -0.822 -14.131 1.00 12.04 N ATOM 652 CA PHE A 95 -5.544 0.139 -13.209 1.00 11.16 C ATOM 653 C PHE A 95 -4.914 1.249 -14.035 1.00 12.00 C ATOM 654 O PHE A 95 -4.501 1.022 -15.175 1.00 12.91 O ATOM 655 CB PHE A 95 -4.448 -0.511 -12.369 1.00 10.98 C ATOM 656 CG PHE A 95 -4.959 -1.341 -11.242 1.00 8.62 C ATOM 657 CD1 PHE A 95 -5.240 -2.692 -11.420 1.00 11.17 C ATOM 658 CD2 PHE A 95 -5.161 -0.772 -9.991 1.00 9.24 C ATOM 659 CE1 PHE A 95 -5.715 -3.464 -10.362 1.00 10.27 C ATOM 660 CE2 PHE A 95 -5.639 -1.535 -8.924 1.00 9.83 C ATOM 661 CZ PHE A 95 -5.913 -2.884 -9.113 1.00 8.97 C ATOM 662 N GLU A 96 -4.842 2.447 -13.465 1.00 10.94 N ATOM 663 CA GLU A 96 -4.224 3.573 -14.153 1.00 13.33 C ATOM 664 C GLU A 96 -3.189 4.157 -13.199 1.00 13.44 C ATOM 665 O GLU A 96 -3.410 4.187 -11.984 1.00 11.23 O ATOM 666 CB GLU A 96 -5.272 4.634 -14.506 1.00 16.97 C ATOM 667 CG GLU A 96 -5.824 5.412 -13.320 1.00 22.47 C ATOM 668 CD GLU A 96 -6.965 6.334 -13.708 1.00 24.60 C ATOM 669 OE1 GLU A 96 -6.850 7.028 -14.740 1.00 26.43 O ATOM 670 OE2 GLU A 96 -7.978 6.369 -12.976 1.00 28.77 O ATOM 671 N GLN A 97 -2.055 4.602 -13.731 1.00 14.01 N ATOM 672 CA GLN A 97 -1.029 5.172 -12.874 1.00 15.59 C ATOM 673 C GLN A 97 -1.600 6.404 -12.196 1.00 15.40 C ATOM 674 O GLN A 97 -2.347 7.171 -12.797 1.00 16.19 O ATOM 675 CB GLN A 97 0.225 5.549 -13.665 1.00 19.80 C ATOM 676 CG GLN A 97 1.362 6.029 -12.767 1.00 24.99 C ATOM 677 CD GLN A 97 2.640 6.334 -13.526 1.00 28.75 C ATOM 678 OE1 GLN A 97 3.169 5.482 -14.240 1.00 30.89 O ATOM 679 NE2 GLN A 97 3.149 7.552 -13.366 1.00 30.34 N ATOM 680 N TRP A 98 -1.249 6.584 -10.933 1.00 13.46 N ATOM 681 CA TRP A 98 -1.748 7.714 -10.172 1.00 11.74 C ATOM 682 C TRP A 98 -0.569 8.482 -9.597 1.00 11.65 C ATOM 683 O TRP A 98 -0.325 9.630 -9.959 1.00 9.47 O ATOM 684 CB TRP A 98 -2.661 7.190 -9.057 1.00 11.48 C ATOM 685 CG TRP A 98 -3.334 8.241 -8.228 1.00 8.42 C ATOM 686 CD1 TRP A 98 -3.456 9.570 -8.519 1.00 10.48 C ATOM 687 CD2 TRP A 98 -4.011 8.038 -6.983 1.00 11.91 C ATOM 688 NE1 TRP A 98 -4.167 10.209 -7.530 1.00 8.96 N ATOM 689 CE2 TRP A 98 -4.521 9.292 -6.574 1.00 10.04 C ATOM 690 CE3 TRP A 98 -4.238 6.918 -6.172 1.00 12.48 C ATOM 691 CZ2 TRP A 98 -5.245 9.457 -5.385 1.00 13.55 C ATOM 692 CZ3 TRP A 98 -4.958 7.080 -4.987 1.00 13.54 C ATOM 693 CH2 TRP A 98 -5.451 8.340 -4.607 1.00 14.74 C ATOM 694 N ILE A 99 0.180 7.824 -8.720 1.00 10.88 N ATOM 695 CA ILE A 99 1.322 8.451 -8.073 1.00 10.58 C ATOM 696 C ILE A 99 2.578 7.602 -8.224 1.00 12.44 C ATOM 697 O ILE A 99 2.512 6.379 -8.176 1.00 13.35 O ATOM 698 CB ILE A 99 1.057 8.621 -6.553 1.00 11.17 C ATOM 699 CG1 ILE A 99 -0.267 9.356 -6.324 1.00 11.00 C ATOM 700 CG2 ILE A 99 2.213 9.366 -5.894 1.00 9.45 C ATOM 701 CD1 ILE A 99 -0.303 10.759 -6.876 1.00 13.85 C ATOM 702 N GLU A 100 3.715 8.262 -8.414 1.00 13.78 N ATOM 703 CA GLU A 100 5.009 7.588 -8.509 1.00 17.60 C ATOM 704 C GLU A 100 5.923 8.428 -7.621 1.00 19.26 C ATOM 705 O GLU A 100 6.344 9.515 -8.006 1.00 20.08 O ATOM 706 CB GLU A 100 5.520 7.570 -9.953 1.00 21.91 C ATOM 707 CG GLU A 100 6.834 6.819 -10.128 1.00 28.32 C ATOM 708 CD GLU A 100 7.215 6.624 -11.585 1.00 31.34 C ATOM 709 OE1 GLU A 100 7.398 7.632 -12.302 1.00 34.44 O ATOM 710 OE2 GLU A 100 7.331 5.457 -12.014 1.00 34.71 O ATOM 711 N LYS A 101 6.209 7.928 -6.423 1.00 19.15 N ATOM 712 CA LYS A 101 7.029 8.657 -5.462 1.00 20.37 C ATOM 713 C LYS A 101 8.362 8.000 -5.134 1.00 19.78 C ATOM 714 O LYS A 101 8.466 6.780 -5.054 1.00 14.08 O ATOM 715 CB LYS A 101 6.240 8.841 -4.162 1.00 24.23 C ATOM 716 CG LYS A 101 5.859 10.277 -3.819 1.00 27.21 C ATOM 717 CD LYS A 101 7.065 11.068 -3.343 1.00 30.11 C ATOM 718 CE LYS A 101 6.646 12.400 -2.745 1.00 30.55 C ATOM 719 NZ LYS A 101 5.730 12.214 -1.588 1.00 32.38 N ATOM 720 N ASP A 102 9.384 8.827 -4.947 1.00 19.18 N ATOM 721 CA ASP A 102 10.703 8.340 -4.574 1.00 19.91 C ATOM 722 C ASP A 102 10.857 8.705 -3.108 1.00 19.40 C ATOM 723 O ASP A 102 10.910 9.883 -2.756 1.00 19.97 O ATOM 724 CB ASP A 102 11.794 9.015 -5.410 1.00 22.52 C ATOM 725 CG ASP A 102 12.370 8.092 -6.471 1.00 26.27 C ATOM 726 OD1 ASP A 102 13.005 7.078 -6.102 1.00 28.65 O ATOM 727 OD2 ASP A 102 12.188 8.373 -7.673 1.00 26.94 O ATOM 728 N LEU A 103 10.900 7.692 -2.253 1.00 18.45 N ATOM 729 CA LEU A 103 11.034 7.913 -0.821 1.00 20.45 C ATOM 730 C LEU A 103 12.497 8.008 -0.418 1.00 20.63 C ATOM 731 O LEU A 103 13.384 7.571 -1.151 1.00 20.30 O ATOM 732 CB LEU A 103 10.359 6.779 -0.043 1.00 19.85 C ATOM 733 CG LEU A 103 8.837 6.641 -0.174 1.00 20.66 C ATOM 734 CD1 LEU A 103 8.468 6.208 -1.581 1.00 22.13 C ATOM 735 CD2 LEU A 103 8.334 5.621 0.835 1.00 20.90 C ATOM 736 N VAL A 104 12.746 8.595 0.747 1.00 21.99 N ATOM 737 CA VAL A 104 14.105 8.739 1.244 1.00 22.12 C ATOM 738 C VAL A 104 14.344 7.748 2.374 1.00 21.28 C ATOM 739 O VAL A 104 13.402 7.322 3.042 1.00 19.82 O ATOM 740 CB VAL A 104 14.365 10.171 1.782 1.00 23.65 C ATOM 741 CG1 VAL A 104 13.501 10.440 3.004 1.00 24.40 C ATOM 742 CG2 VAL A 104 15.834 10.333 2.131 1.00 25.32 C ATOM 743 N HIS A 105 15.604 7.373 2.567 1.00 21.01 N ATOM 744 CA HIS A 105 15.975 6.453 3.632 1.00 22.08 C ATOM 745 C HIS A 105 16.579 7.258 4.776 1.00 22.79 C ATOM 746 O HIS A 105 17.443 8.107 4.558 1.00 22.62 O ATOM 747 CB HIS A 105 17.004 5.429 3.140 1.00 23.88 C ATOM 748 CG HIS A 105 17.588 4.592 4.236 1.00 25.05 C ATOM 749 ND1 HIS A 105 16.830 3.733 5.003 1.00 25.65 N ATOM 750 CD2 HIS A 105 18.851 4.509 4.719 1.00 25.63 C ATOM 751 CE1 HIS A 105 17.599 3.159 5.910 1.00 26.07 C ATOM 752 NE2 HIS A 105 18.831 3.613 5.760 1.00 25.98 N ATOM 753 N THR A 106 16.114 6.991 5.991 1.00 23.34 N ATOM 754 CA THR A 106 16.613 7.675 7.176 1.00 24.81 C ATOM 755 C THR A 106 17.117 6.612 8.150 1.00 25.11 C ATOM 756 O THR A 106 16.349 5.765 8.605 1.00 23.75 O ATOM 757 CB THR A 106 15.500 8.501 7.854 1.00 25.66 C ATOM 758 OG1 THR A 106 14.923 9.401 6.899 1.00 27.08 O ATOM 759 CG2 THR A 106 16.065 9.308 9.014 1.00 27.18 C ATOM 760 N GLU A 107 18.411 6.650 8.449 1.00 26.53 N ATOM 761 CA GLU A 107 19.022 5.684 9.356 1.00 26.67 C ATOM 762 C GLU A 107 18.295 5.553 10.690 1.00 25.05 C ATOM 763 O GLU A 107 18.065 6.542 11.386 1.00 25.03 O ATOM 764 CB GLU A 107 20.484 6.056 9.613 1.00 30.32 C ATOM 765 CG GLU A 107 21.423 5.740 8.461 1.00 33.92 C ATOM 766 CD GLU A 107 21.656 4.248 8.287 1.00 36.95 C ATOM 767 OE1 GLU A 107 20.684 3.513 8.010 1.00 38.26 O ATOM 768 OE2 GLU A 107 22.818 3.809 8.430 1.00 37.71 O ATOM 769 N GLY A 108 17.935 4.319 11.031 1.00 23.13 N ATOM 770 CA GLY A 108 17.257 4.054 12.286 1.00 20.67 C ATOM 771 C GLY A 108 15.823 4.535 12.388 1.00 19.25 C ATOM 772 O GLY A 108 15.247 4.539 13.475 1.00 19.17 O ATOM 773 N GLN A 109 15.232 4.930 11.265 1.00 17.56 N ATOM 774 CA GLN A 109 13.861 5.421 11.285 1.00 15.88 C ATOM 775 C GLN A 109 12.994 4.798 10.201 1.00 13.65 C ATOM 776 O GLN A 109 13.478 4.446 9.126 1.00 13.59 O ATOM 777 CB GLN A 109 13.854 6.941 11.114 1.00 18.86 C ATOM 778 CG GLN A 109 14.686 7.682 12.150 1.00 19.73 C ATOM 779 CD GLN A 109 14.070 7.641 13.534 1.00 23.11 C ATOM 780 OE1 GLN A 109 14.724 7.965 14.529 1.00 25.59 O ATOM 781 NE2 GLN A 109 12.803 7.255 13.605 1.00 22.69 N ATOM 782 N LEU A 110 11.708 4.658 10.494 1.00 12.50 N ATOM 783 CA LEU A 110 10.777 4.116 9.518 1.00 11.26 C ATOM 784 C LEU A 110 10.445 5.267 8.594 1.00 11.04 C ATOM 785 O LEU A 110 10.714 6.429 8.910 1.00 12.22 O ATOM 786 CB LEU A 110 9.487 3.631 10.184 1.00 12.13 C ATOM 787 CG LEU A 110 9.572 2.437 11.137 1.00 12.53 C ATOM 788 CD1 LEU A 110 8.185 2.133 11.667 1.00 13.24 C ATOM 789 CD2 LEU A 110 10.152 1.228 10.419 1.00 13.92 C ATOM 790 N GLN A 111 9.875 4.945 7.443 1.00 10.77 N ATOM 791 CA GLN A 111 9.488 5.970 6.494 1.00 9.49 C ATOM 792 C GLN A 111 8.029 6.298 6.763 1.00 10.71 C ATOM 793 O GLN A 111 7.214 5.401 6.967 1.00 10.00 O ATOM 794 CB GLN A 111 9.639 5.453 5.064 1.00 9.12 C ATOM 795 CG GLN A 111 11.030 4.923 4.749 1.00 8.52 C ATOM 796 CD GLN A 111 11.120 4.285 3.371 1.00 8.96 C ATOM 797 OE1 GLN A 111 11.737 4.838 2.457 1.00 12.64 O ATOM 798 NE2 GLN A 111 10.509 3.118 3.217 1.00 7.22 N ATOM 799 N ASN A 112 7.705 7.584 6.778 1.00 11.92 N ATOM 800 CA ASN A 112 6.334 8.029 6.996 1.00 15.01 C ATOM 801 C ASN A 112 6.066 9.082 5.932 1.00 15.81 C ATOM 802 O ASN A 112 6.575 10.201 6.013 1.00 16.58 O ATOM 803 CB ASN A 112 6.167 8.628 8.394 1.00 17.44 C ATOM 804 CG ASN A 112 6.341 7.596 9.498 1.00 21.31 C ATOM 805 OD1 ASN A 112 7.451 7.131 9.764 1.00 25.83 O ATOM 806 ND2 ASN A 112 5.241 7.228 10.140 1.00 24.23 N ATOM 807 N GLU A 113 5.276 8.710 4.929 1.00 15.47 N ATOM 808 CA GLU A 113 4.974 9.607 3.822 1.00 17.13 C ATOM 809 C GLU A 113 3.492 9.918 3.706 1.00 16.61 C ATOM 810 O GLU A 113 2.653 9.017 3.708 1.00 16.28 O ATOM 811 CB GLU A 113 5.448 8.983 2.508 1.00 19.28 C ATOM 812 CG GLU A 113 5.897 9.983 1.456 1.00 25.81 C ATOM 813 CD GLU A 113 7.215 10.635 1.819 1.00 26.85 C ATOM 814 OE1 GLU A 113 7.263 11.356 2.840 1.00 30.47 O ATOM 815 OE2 GLU A 113 8.206 10.420 1.090 1.00 29.58 O ATOM 816 N GLU A 114 3.181 11.204 3.605 1.00 15.41 N ATOM 817 CA GLU A 114 1.809 11.653 3.451 1.00 17.37 C ATOM 818 C GLU A 114 1.668 12.142 2.016 1.00 17.17 C ATOM 819 O GLU A 114 2.508 12.899 1.526 1.00 19.44 O ATOM 820 CB GLU A 114 1.508 12.792 4.423 1.00 18.94 C ATOM 821 CG GLU A 114 0.131 13.406 4.248 1.00 24.62 C ATOM 822 CD GLU A 114 -0.138 14.508 5.255 1.00 27.49 C ATOM 823 OE1 GLU A 114 -1.172 15.198 5.121 1.00 28.98 O ATOM 824 OE2 GLU A 114 0.684 14.678 6.183 1.00 31.04 O ATOM 825 N ILE A 115 0.614 11.701 1.340 1.00 16.25 N ATOM 826 CA ILE A 115 0.382 12.090 -0.046 1.00 15.84 C ATOM 827 C ILE A 115 -1.018 12.673 -0.160 1.00 15.30 C ATOM 828 O ILE A 115 -2.004 11.968 0.047 1.00 15.31 O ATOM 829 CB ILE A 115 0.488 10.871 -0.984 1.00 16.15 C ATOM 830 CG1 ILE A 115 1.848 10.195 -0.810 1.00 17.64 C ATOM 831 CG2 ILE A 115 0.300 11.311 -2.432 1.00 18.47 C ATOM 832 CD1 ILE A 115 1.972 8.885 -1.550 1.00 19.55 C ATOM 833 N VAL A 116 -1.109 13.960 -0.483 1.00 14.24 N ATOM 834 CA VAL A 116 -2.408 14.604 -0.613 1.00 14.12 C ATOM 835 C VAL A 116 -2.877 14.617 -2.061 1.00 15.09 C ATOM 836 O VAL A 116 -2.479 15.465 -2.851 1.00 15.97 O ATOM 837 CB VAL A 116 -2.378 16.052 -0.093 1.00 14.92 C ATOM 838 CG1 VAL A 116 -3.759 16.684 -0.238 1.00 14.69 C ATOM 839 CG2 VAL A 116 -1.941 16.070 1.360 1.00 15.82 C ATOM 840 N ALA A 117 -3.732 13.665 -2.402 1.00 17.52 N ATOM 841 CA ALA A 117 -4.257 13.570 -3.752 1.00 17.48 C ATOM 842 C ALA A 117 -5.653 12.987 -3.680 1.00 17.71 C ATOM 843 O ALA A 117 -5.947 12.173 -2.802 1.00 16.13 O ATOM 844 CB ALA A 117 -3.363 12.684 -4.595 1.00 18.17 C ATOM 845 N HIS A 118 -6.511 13.411 -4.601 1.00 19.31 N ATOM 846 CA HIS A 118 -7.880 12.920 -4.640 1.00 18.79 C ATOM 847 C HIS A 118 -8.086 11.892 -5.744 1.00 18.29 C ATOM 848 O HIS A 118 -7.429 11.937 -6.789 1.00 18.78 O ATOM 849 CB HIS A 118 -8.861 14.080 -4.833 1.00 22.37 C ATOM 850 CG HIS A 118 -10.275 13.639 -5.073 1.00 25.75 C ATOM 851 ND1 HIS A 118 -10.689 13.090 -6.267 1.00 26.40 N ATOM 852 CD2 HIS A 118 -11.355 13.619 -4.255 1.00 27.00 C ATOM 853 CE1 HIS A 118 -11.962 12.747 -6.175 1.00 26.77 C ATOM 854 NE2 HIS A 118 -12.389 13.057 -4.965 1.00 28.13 N ATOM 855 N GLY A 120 -8.999 10.959 -5.501 1.00 14.93 N ATOM 856 CA GLY A 120 -9.293 9.945 -6.495 1.00 13.99 C ATOM 857 C GLY A 120 -10.319 8.935 -6.028 1.00 12.75 C ATOM 858 O GLY A 120 -10.354 8.563 -4.855 1.00 13.01 O ATOM 859 N SER A 121 -11.170 8.501 -6.950 1.00 13.22 N ATOM 860 CA SER A 121 -12.185 7.502 -6.652 1.00 12.26 C ATOM 861 C SER A 121 -11.542 6.149 -6.920 1.00 12.12 C ATOM 862 O SER A 121 -10.676 6.030 -7.795 1.00 10.35 O ATOM 863 CB SER A 121 -13.404 7.675 -7.564 1.00 13.34 C ATOM 864 OG SER A 121 -14.082 8.890 -7.286 1.00 15.16 O ATOM 865 N ALA A 122 -11.950 5.130 -6.172 1.00 11.11 N ATOM 866 CA ALA A 122 -11.376 3.809 -6.382 1.00 11.02 C ATOM 867 C ALA A 122 -12.110 2.673 -5.699 1.00 10.53 C ATOM 868 O ALA A 122 -12.823 2.867 -4.718 1.00 10.09 O ATOM 869 CB ALA A 122 -9.914 3.805 -5.932 1.00 12.98 C ATOM 870 N THR A 123 -11.928 1.480 -6.253 1.00 9.81 N ATOM 871 CA THR A 123 -12.493 0.262 -5.693 1.00 9.12 C ATOM 872 C THR A 123 -11.281 -0.549 -5.246 1.00 9.14 C ATOM 873 O THR A 123 -11.382 -1.392 -4.360 1.00 8.56 O ATOM 874 CB THR A 123 -13.282 -0.538 -6.742 1.00 7.65 C ATOM 875 OG1 THR A 123 -12.546 -0.565 -7.970 1.00 8.79 O ATOM 876 CG2 THR A 123 -14.647 0.103 -6.976 1.00 7.04 C ATOM 877 N TYR A 124 -10.134 -0.274 -5.873 1.00 8.45 N ATOM 878 CA TYR A 124 -8.869 -0.948 -5.544 1.00 7.53 C ATOM 879 C TYR A 124 -7.693 0.006 -5.723 1.00 7.30 C ATOM 880 O TYR A 124 -7.746 0.936 -6.530 1.00 8.00 O ATOM 881 CB TYR A 124 -8.567 -2.138 -6.467 1.00 7.77 C ATOM 882 CG TYR A 124 -9.586 -3.245 -6.534 1.00 8.32 C ATOM 883 CD1 TYR A 124 -10.708 -3.135 -7.349 1.00 8.75 C ATOM 884 CD2 TYR A 124 -9.405 -4.427 -5.817 1.00 8.39 C ATOM 885 CE1 TYR A 124 -11.628 -4.174 -7.455 1.00 8.68 C ATOM 886 CE2 TYR A 124 -10.319 -5.480 -5.916 1.00 9.11 C ATOM 887 CZ TYR A 124 -11.425 -5.342 -6.738 1.00 8.99 C ATOM 888 OH TYR A 124 -12.322 -6.377 -6.853 1.00 12.01 O ATOM 889 N LEU A 125 -6.627 -0.250 -4.972 1.00 7.97 N ATOM 890 CA LEU A 125 -5.390 0.511 -5.078 1.00 6.79 C ATOM 891 C LEU A 125 -4.314 -0.549 -5.234 1.00 8.12 C ATOM 892 O LEU A 125 -4.329 -1.565 -4.540 1.00 9.25 O ATOM 893 CB LEU A 125 -5.099 1.336 -3.819 1.00 6.84 C ATOM 894 CG LEU A 125 -5.975 2.541 -3.464 1.00 8.59 C ATOM 895 CD1 LEU A 125 -5.361 3.243 -2.256 1.00 9.76 C ATOM 896 CD2 LEU A 125 -6.076 3.505 -4.638 1.00 7.01 C ATOM 897 N ARG A 126 -3.400 -0.320 -6.166 1.00 6.48 N ATOM 898 CA ARG A 126 -2.306 -1.243 -6.418 1.00 7.16 C ATOM 899 C ARG A 126 -1.039 -0.531 -5.974 1.00 8.05 C ATOM 900 O ARG A 126 -0.739 0.554 -6.451 1.00 7.17 O ATOM 901 CB ARG A 126 -2.243 -1.565 -7.915 1.00 7.58 C ATOM 902 CG ARG A 126 -1.063 -2.419 -8.356 1.00 8.03 C ATOM 903 CD ARG A 126 -0.963 -2.424 -9.880 1.00 13.75 C ATOM 904 NE ARG A 126 0.106 -3.285 -10.374 1.00 15.28 N ATOM 905 CZ ARG A 126 0.466 -3.368 -11.652 1.00 16.32 C ATOM 906 NH1 ARG A 126 -0.156 -2.636 -12.568 1.00 17.66 N ATOM 907 NH2 ARG A 126 1.440 -4.189 -12.018 1.00 15.66 N ATOM 908 N PHE A 127 -0.312 -1.127 -5.034 1.00 7.25 N ATOM 909 CA PHE A 127 0.921 -0.525 -4.551 1.00 7.06 C ATOM 910 C PHE A 127 2.089 -1.324 -5.065 1.00 5.90 C ATOM 911 O PHE A 127 2.225 -2.506 -4.763 1.00 8.98 O ATOM 912 CB PHE A 127 0.947 -0.486 -3.023 1.00 6.40 C ATOM 913 CG PHE A 127 0.006 0.516 -2.437 1.00 8.42 C ATOM 914 CD1 PHE A 127 -1.356 0.240 -2.332 1.00 9.87 C ATOM 915 CD2 PHE A 127 0.475 1.758 -2.015 1.00 10.93 C ATOM 916 CE1 PHE A 127 -2.237 1.189 -1.815 1.00 12.14 C ATOM 917 CE2 PHE A 127 -0.402 2.714 -1.498 1.00 12.23 C ATOM 918 CZ PHE A 127 -1.760 2.425 -1.399 1.00 12.77 C ATOM 919 N ILE A 128 2.947 -0.660 -5.829 1.00 6.78 N ATOM 920 CA ILE A 128 4.102 -1.306 -6.413 1.00 5.65 C ATOM 921 C ILE A 128 5.407 -0.801 -5.825 1.00 5.95 C ATOM 922 O ILE A 128 5.707 0.394 -5.900 1.00 7.31 O ATOM 923 CB ILE A 128 4.148 -1.057 -7.936 1.00 6.49 C ATOM 924 CG1 ILE A 128 2.816 -1.454 -8.571 1.00 7.82 C ATOM 925 CG2 ILE A 128 5.294 -1.856 -8.562 1.00 6.39 C ATOM 926 CD1 ILE A 128 2.642 -0.925 -9.965 1.00 10.58 C ATOM 927 N ILE A 129 6.169 -1.706 -5.217 1.00 6.37 N ATOM 928 CA ILE A 129 7.477 -1.342 -4.697 1.00 4.50 C ATOM 929 C ILE A 129 8.385 -1.609 -5.896 1.00 5.02 C ATOM 930 O ILE A 129 8.760 -2.742 -6.179 1.00 6.75 O ATOM 931 CB ILE A 129 7.900 -2.229 -3.509 1.00 6.59 C ATOM 932 CG1 ILE A 129 6.914 -2.041 -2.351 1.00 10.76 C ATOM 933 CG2 ILE A 129 9.321 -1.856 -3.069 1.00 8.43 C ATOM 934 CD1 ILE A 129 7.207 -2.935 -1.152 1.00 11.84 C ATOM 935 N VAL A 130 8.695 -0.548 -6.626 1.00 5.79 N ATOM 936 CA VAL A 130 9.525 -0.644 -7.818 1.00 5.04 C ATOM 937 C VAL A 130 10.972 -1.000 -7.493 1.00 6.04 C ATOM 938 O VAL A 130 11.604 -1.780 -8.205 1.00 4.98 O ATOM 939 CB VAL A 130 9.465 0.690 -8.583 1.00 6.02 C ATOM 940 CG1 VAL A 130 10.353 0.639 -9.820 1.00 6.56 C ATOM 941 CG2 VAL A 130 8.023 0.978 -8.969 1.00 4.81 C ATOM 942 N SER A 131 11.487 -0.433 -6.407 1.00 5.40 N ATOM 943 CA SER A 131 12.866 -0.681 -5.997 1.00 6.10 C ATOM 944 C SER A 131 12.986 -0.447 -4.502 1.00 5.61 C ATOM 945 O SER A 131 12.118 0.176 -3.894 1.00 6.02 O ATOM 946 CB SER A 131 13.823 0.260 -6.733 1.00 7.50 C ATOM 947 OG SER A 131 13.549 1.614 -6.417 1.00 8.54 O ATOM 948 N ALA A 132 14.075 -0.937 -3.926 1.00 6.42 N ATOM 949 CA ALA A 132 14.312 -0.809 -2.496 1.00 7.01 C ATOM 950 C ALA A 132 15.733 -0.330 -2.238 1.00 8.98 C ATOM 951 O ALA A 132 16.595 -0.416 -3.115 1.00 9.90 O ATOM 952 CB ALA A 132 14.086 -2.156 -1.821 1.00 7.10 C ATOM 953 N PHE A 133 15.962 0.174 -1.027 1.00 9.49 N ATOM 954 CA PHE A 133 17.277 0.658 -0.618 1.00 10.75 C ATOM 955 C PHE A 133 18.159 -0.502 -0.174 1.00 11.95 C ATOM 956 O PHE A 133 19.337 -0.316 0.149 1.00 13.69 O ATOM 957 CB PHE A 133 17.130 1.665 0.521 1.00 11.90 C ATOM 958 CG PHE A 133 16.676 3.021 0.065 1.00 11.63 C ATOM 959 CD1 PHE A 133 17.513 3.823 -0.699 1.00 14.17 C ATOM 960 CD2 PHE A 133 15.403 3.486 0.374 1.00 13.96 C ATOM 961 CE1 PHE A 133 17.088 5.073 -1.155 1.00 12.01 C ATOM 962 CE2 PHE A 133 14.969 4.732 -0.076 1.00 10.18 C ATOM 963 CZ PHE A 133 15.814 5.523 -0.841 1.00 12.64 C ATOM 964 N ASP A 134 17.582 -1.698 -0.150 1.00 11.78 N ATOM 965 CA ASP A 134 18.313 -2.899 0.243 1.00 12.06 C ATOM 966 C ASP A 134 17.768 -4.085 -0.556 1.00 12.00 C ATOM 967 O ASP A 134 17.080 -3.901 -1.565 1.00 11.13 O ATOM 968 CB ASP A 134 18.151 -3.139 1.752 1.00 14.57 C ATOM 969 CG ASP A 134 19.335 -3.879 2.361 1.00 17.34 C ATOM 970 OD1 ASP A 134 19.596 -5.034 1.961 1.00 18.88 O ATOM 971 OD2 ASP A 134 20.010 -3.303 3.243 1.00 20.15 O ATOM 972 N HIS A 135 18.068 -5.302 -0.108 1.00 11.54 N ATOM 973 CA HIS A 135 17.605 -6.504 -0.803 1.00 11.16 C ATOM 974 C HIS A 135 16.118 -6.744 -0.594 1.00 11.19 C ATOM 975 O HIS A 135 15.523 -7.598 -1.249 1.00 11.94 O ATOM 976 CB HIS A 135 18.369 -7.726 -0.303 1.00 11.04 C ATOM 977 CG HIS A 135 19.833 -7.697 -0.615 1.00 9.22 C ATOM 978 ND1 HIS A 135 20.726 -8.577 -0.046 1.00 13.06 N ATOM 979 CD2 HIS A 135 20.553 -6.916 -1.454 1.00 12.83 C ATOM 980 CE1 HIS A 135 21.936 -8.340 -0.521 1.00 11.21 C ATOM 981 NE2 HIS A 135 21.859 -7.338 -1.377 1.00 11.31 N ATOM 982 N PHE A 136 15.528 -5.989 0.326 1.00 9.99 N ATOM 983 CA PHE A 136 14.119 -6.141 0.636 1.00 8.41 C ATOM 984 C PHE A 136 13.539 -4.806 1.064 1.00 7.54 C ATOM 985 O PHE A 136 14.271 -3.849 1.308 1.00 7.06 O ATOM 986 CB PHE A 136 13.947 -7.161 1.772 1.00 10.29 C ATOM 987 CG PHE A 136 14.351 -6.635 3.127 1.00 10.48 C ATOM 988 CD1 PHE A 136 13.430 -5.964 3.932 1.00 12.25 C ATOM 989 CD2 PHE A 136 15.658 -6.787 3.589 1.00 13.49 C ATOM 990 CE1 PHE A 136 13.803 -5.449 5.180 1.00 10.83 C ATOM 991 CE2 PHE A 136 16.040 -6.275 4.834 1.00 12.59 C ATOM 992 CZ PHE A 136 15.109 -5.606 5.629 1.00 13.56 C ATOM 993 N ALA A 137 12.215 -4.751 1.146 1.00 6.83 N ATOM 994 CA ALA A 137 11.512 -3.556 1.592 1.00 7.06 C ATOM 995 C ALA A 137 10.312 -4.037 2.397 1.00 5.65 C ATOM 996 O ALA A 137 9.859 -5.176 2.232 1.00 5.54 O ATOM 997 CB ALA A 137 11.066 -2.719 0.400 1.00 8.13 C ATOM 998 N SER A 138 9.796 -3.179 3.267 1.00 4.72 N ATOM 999 CA SER A 138 8.668 -3.555 4.107 1.00 5.81 C ATOM 1000 C SER A 138 7.620 -2.468 4.141 1.00 3.89 C ATOM 1001 O SER A 138 7.933 -1.293 4.003 1.00 6.14 O ATOM 1002 CB SER A 138 9.151 -3.816 5.540 1.00 4.71 C ATOM 1003 OG SER A 138 10.062 -4.895 5.584 1.00 6.60 O ATOM 1004 N VAL A 139 6.369 -2.877 4.313 1.00 5.17 N ATOM 1005 CA VAL A 139 5.273 -1.935 4.412 1.00 5.44 C ATOM 1006 C VAL A 139 4.568 -2.193 5.734 1.00 4.38 C ATOM 1007 O VAL A 139 3.976 -3.250 5.943 1.00 5.31 O ATOM 1008 CB VAL A 139 4.264 -2.086 3.258 1.00 7.21 C ATOM 1009 CG1 VAL A 139 3.046 -1.200 3.509 1.00 7.51 C ATOM 1010 CG2 VAL A 139 4.922 -1.689 1.944 1.00 8.06 C ATOM 1011 N HIS A 140 4.653 -1.214 6.627 1.00 5.13 N ATOM 1012 CA HIS A 140 4.044 -1.313 7.945 1.00 6.13 C ATOM 1013 C HIS A 140 2.569 -0.941 7.935 1.00 6.57 C ATOM 1014 O HIS A 140 1.757 -1.565 8.603 1.00 6.89 O ATOM 1015 CB HIS A 140 4.797 -0.409 8.919 1.00 7.39 C ATOM 1016 CG HIS A 140 6.108 -0.978 9.370 1.00 8.54 C ATOM 1017 ND1 HIS A 140 7.119 -1.320 8.500 1.00 8.73 N ATOM 1018 CD2 HIS A 140 6.556 -1.291 10.610 1.00 7.95 C ATOM 1019 CE1 HIS A 140 8.136 -1.821 9.184 1.00 6.33 C ATOM 1020 NE2 HIS A 140 7.818 -1.813 10.464 1.00 9.54 N ATOM 1021 N SER A 141 2.220 0.083 7.175 1.00 7.27 N ATOM 1022 CA SER A 141 0.832 0.509 7.114 1.00 7.86 C ATOM 1023 C SER A 141 0.554 1.354 5.891 1.00 7.48 C ATOM 1024 O SER A 141 1.436 2.048 5.387 1.00 7.33 O ATOM 1025 CB SER A 141 0.483 1.326 8.358 1.00 10.03 C ATOM 1026 OG SER A 141 -0.862 1.780 8.316 1.00 17.08 O ATOM 1027 N VAL A 142 -0.680 1.260 5.412 1.00 7.81 N ATOM 1028 CA VAL A 142 -1.145 2.063 4.298 1.00 7.40 C ATOM 1029 C VAL A 142 -2.510 2.557 4.742 1.00 8.21 C ATOM 1030 O VAL A 142 -3.380 1.760 5.100 1.00 9.40 O ATOM 1031 CB VAL A 142 -1.282 1.257 2.998 1.00 6.50 C ATOM 1032 CG1 VAL A 142 -2.078 2.065 1.977 1.00 9.85 C ATOM 1033 CG2 VAL A 142 0.103 0.948 2.442 1.00 6.74 C ATOM 1034 N SER A 143 -2.674 3.876 4.747 1.00 9.54 N ATOM 1035 CA SER A 143 -3.916 4.508 5.165 1.00 11.86 C ATOM 1036 C SER A 143 -4.473 5.408 4.076 1.00 10.95 C ATOM 1037 O SER A 143 -3.726 5.994 3.300 1.00 12.75 O ATOM 1038 CB SER A 143 -3.681 5.359 6.417 1.00 14.16 C ATOM 1039 OG SER A 143 -3.183 4.586 7.492 1.00 16.97 O ATOM 1040 N ALA A 144 -5.796 5.515 4.034 1.00 12.29 N ATOM 1041 CA ALA A 144 -6.459 6.370 3.062 1.00 13.48 C ATOM 1042 C ALA A 144 -7.582 7.103 3.774 1.00 14.78 C ATOM 1043 O ALA A 144 -8.398 6.493 4.468 1.00 15.54 O ATOM 1044 CB ALA A 144 -7.008 5.544 1.912 1.00 15.40 C ATOM 1045 N GLU A 145 -7.601 8.421 3.620 1.00 13.70 N ATOM 1046 CA GLU A 145 -8.620 9.256 4.236 1.00 13.74 C ATOM 1047 C GLU A 145 -9.635 9.584 3.155 1.00 12.26 C ATOM 1048 O GLU A 145 -9.262 9.880 2.026 1.00 11.03 O ATOM 1049 CB GLU A 145 -7.977 10.540 4.765 1.00 16.73 C ATOM 1050 CG GLU A 145 -8.924 11.468 5.500 1.00 22.30 C ATOM 1051 CD GLU A 145 -8.195 12.638 6.130 1.00 25.40 C ATOM 1052 OE1 GLU A 145 -7.294 12.392 6.961 1.00 26.70 O ATOM 1053 OE2 GLU A 145 -8.521 13.796 5.791 1.00 28.23 O ATOM 1054 N GLY A 146 -10.915 9.521 3.498 1.00 11.85 N ATOM 1055 CA GLY A 146 -11.932 9.826 2.512 1.00 11.38 C ATOM 1056 C GLY A 146 -13.318 9.399 2.929 1.00 12.39 C ATOM 1057 O GLY A 146 -13.602 9.235 4.119 1.00 13.41 O ATOM 1058 N THR A 147 -14.180 9.204 1.939 1.00 10.32 N ATOM 1059 CA THR A 147 -15.561 8.823 2.185 1.00 12.85 C ATOM 1060 C THR A 147 -15.999 7.673 1.290 1.00 12.80 C ATOM 1061 O THR A 147 -15.497 7.514 0.183 1.00 12.32 O ATOM 1062 CB THR A 147 -16.506 10.011 1.912 1.00 14.22 C ATOM 1063 OG1 THR A 147 -15.997 11.185 2.555 1.00 14.23 O ATOM 1064 CG2 THR A 147 -17.907 9.717 2.442 1.00 14.72 C ATOM 1065 N VAL A 148 -16.945 6.880 1.781 1.00 14.24 N ATOM 1066 CA VAL A 148 -17.488 5.765 1.017 1.00 14.94 C ATOM 1067 C VAL A 148 -18.629 6.297 0.150 1.00 16.97 C ATOM 1068 O VAL A 148 -19.437 7.109 0.606 1.00 16.88 O ATOM 1069 CB VAL A 148 -18.053 4.669 1.943 1.00 13.25 C ATOM 1070 CG1 VAL A 148 -18.721 3.580 1.113 1.00 14.12 C ATOM 1071 CG2 VAL A 148 -16.946 4.087 2.801 1.00 15.26 C ATOM 1072 N VAL A 149 -18.682 5.838 -1.095 1.00 19.42 N ATOM 1073 CA VAL A 149 -19.715 6.248 -2.042 1.00 22.58 C ATOM 1074 C VAL A 149 -20.647 5.068 -2.303 1.00 24.75 C ATOM 1075 O VAL A 149 -20.187 3.952 -2.536 1.00 24.88 O ATOM 1076 CB VAL A 149 -19.092 6.686 -3.383 1.00 24.09 C ATOM 1077 CG1 VAL A 149 -20.175 7.174 -4.330 1.00 25.80 C ATOM 1078 CG2 VAL A 149 -18.059 7.770 -3.144 1.00 25.74 C ATOM 1079 N SER A 150 -21.954 5.312 -2.262 1.00 26.32 N ATOM 1080 CA SER A 150 -22.926 4.246 -2.494 1.00 29.19 C ATOM 1081 C SER A 150 -23.357 4.168 -3.954 1.00 30.48 C ATOM 1082 O SER A 150 -23.094 3.120 -4.586 1.00 32.59 O ATOM 1083 CB SER A 150 -24.155 4.448 -1.603 1.00 29.42 C ATOM 1084 OG SER A 150 -23.818 4.299 -0.232 1.00 30.19 O HETATM 1085 CA CA A 231 0.759 -3.038 10.431 1.00 6.05 HETATM 1086 SM SM A 341 11.763 8.963 -9.823 0.50 23.62 HETATM 1087 O HOH A 342 5.213 -8.203 11.306 1.00 7.79 O HETATM 1088 O HOH A 343 17.064 -4.586 -4.303 1.00 7.81 O HETATM 1089 O HOH A 344 -0.822 -0.955 10.231 1.00 8.08 O HETATM 1090 O HOH A 345 15.839 -2.550 -5.906 1.00 8.24 O HETATM 1091 O HOH A 346 12.008 -2.784 -10.873 1.00 9.65 O HETATM 1092 O HOH A 347 13.966 3.329 4.799 1.00 10.03 O HETATM 1093 O HOH A 348 13.042 -8.815 -1.254 1.00 10.57 O HETATM 1094 O HOH A 349 8.519 -12.636 -3.803 1.00 13.06 O HETATM 1095 O HOH A 350 5.695 -11.390 3.135 1.00 13.41 O HETATM 1096 O HOH A 351 -1.860 -12.100 -1.338 1.00 13.81 O HETATM 1097 O HOH A 352 -6.336 -8.428 4.434 1.00 14.00 O HETATM 1098 O HOH A 353 -2.789 -11.879 4.966 1.00 14.05 O HETATM 1099 O HOH A 354 -10.754 0.992 -13.577 1.00 14.08 O HETATM 1100 O HOH A 355 -5.458 -6.805 8.972 1.00 14.32 O HETATM 1101 O HOH A 356 16.091 -8.952 -3.563 1.00 14.86 O HETATM 1102 O HOH A 357 13.657 5.571 6.670 1.00 14.92 O HETATM 1103 O HOH A 358 -13.700 -3.008 -4.134 1.00 15.01 O HETATM 1104 O HOH A 359 -4.463 -3.295 -14.973 1.00 15.92 O HETATM 1105 O HOH A 360 13.911 3.494 -8.419 1.00 16.38 O HETATM 1106 O HOH A 361 -0.509 4.461 7.406 1.00 16.71 O HETATM 1107 O HOH A 362 7.675 -9.871 -7.333 1.00 16.83 O HETATM 1108 O HOH A 363 -11.507 -8.738 -5.311 1.00 16.84 O HETATM 1109 O HOH A 364 9.987 9.422 5.878 1.00 16.88 O HETATM 1110 O HOH A 365 -10.478 -5.433 -18.117 1.00 17.36 O HETATM 1111 O HOH A 366 -17.546 7.012 4.736 1.00 17.66 O HETATM 1112 O HOH A 367 18.494 -1.784 8.947 1.00 17.75 O HETATM 1113 O HOH A 368 -15.203 2.706 5.654 1.00 18.26 O HETATM 1114 O HOH A 369 3.750 -8.320 16.214 1.00 18.34 O HETATM 1115 O HOH A 370 -2.719 2.681 11.192 1.00 18.52 O HETATM 1116 O HOH A 371 5.345 -13.421 -6.818 1.00 18.65 O HETATM 1117 O HOH A 372 -13.439 1.514 3.582 1.00 18.66 O HETATM 1118 O HOH A 373 -3.080 0.172 9.274 1.00 19.22 O HETATM 1119 O HOH A 374 3.711 13.456 -2.969 1.00 19.24 O HETATM 1120 O HOH A 375 -6.912 15.756 -1.631 1.00 19.64 O HETATM 1121 O HOH A 376 -4.202 13.002 -7.915 1.00 19.83 O HETATM 1122 O HOH A 377 -15.894 5.660 -5.740 1.00 20.04 O HETATM 1123 O HOH A 378 -16.354 -2.587 -13.573 1.00 20.56 O HETATM 1124 O HOH A 379 -7.853 -3.153 10.859 1.00 21.08 O HETATM 1125 O HOH A 380 -3.982 -11.740 0.578 1.00 21.42 O HETATM 1126 O HOH A 381 -14.332 -5.815 -13.670 1.00 21.56 O HETATM 1127 O HOH A 382 4.620 -4.944 -10.248 1.00 21.68 O HETATM 1128 O HOH A 383 -17.631 7.279 -9.441 1.00 21.90 O HETATM 1129 O HOH A 384 -11.153 10.034 -9.660 1.00 21.96 O HETATM 1130 O HOH A 385 -4.811 0.274 7.151 1.00 22.19 O HETATM 1131 O HOH A 386 -17.079 -0.936 -9.980 1.00 22.53 O HETATM 1132 O HOH A 387 7.079 -15.244 -0.335 1.00 22.84 O HETATM 1133 O HOH A 388 -19.774 1.420 -2.059 1.00 23.08 O HETATM 1134 O HOH A 389 -0.641 -8.219 -7.726 1.00 23.11 O HETATM 1135 O HOH A 390 -4.351 7.952 -15.308 1.00 23.25 O HETATM 1136 O HOH A 391 12.707 8.218 5.791 1.00 23.29 O HETATM 1137 O HOH A 392 1.552 9.988 -11.813 1.00 23.75 O HETATM 1138 O HOH A 393 2.575 -5.926 17.897 1.00 23.81 O HETATM 1139 O HOH A 394 17.929 8.311 0.730 1.00 23.88 O HETATM 1140 O HOH A 395 3.407 -10.459 11.819 1.00 24.24 O HETATM 1141 O HOH A 396 6.032 -8.104 -10.207 1.00 24.80 O HETATM 1142 O HOH A 397 8.767 11.876 -5.753 1.00 25.49 O HETATM 1143 O HOH A 398 19.342 -0.484 -3.316 1.00 25.76 O HETATM 1144 O HOH A 399 -8.458 -1.602 12.924 1.00 25.92 O HETATM 1145 O HOH A 400 10.738 5.245 13.252 1.00 26.19 O HETATM 1146 O HOH A 401 5.613 13.296 3.299 1.00 26.53 O HETATM 1147 O HOH A 402 12.638 -10.741 3.565 1.00 26.66 O HETATM 1148 O HOH A 403 5.386 -3.169 -12.305 1.00 26.76 O HETATM 1149 O HOH A 404 -9.491 4.468 -11.881 1.00 26.77 O HETATM 1150 O HOH A 405 1.539 -15.000 4.279 1.00 27.25 O HETATM 1151 O HOH A 406 -15.750 -6.457 3.036 1.00 27.38 O HETATM 1152 O HOH A 407 -9.663 8.544 -12.558 1.00 27.84 O HETATM 1153 O HOH A 408 -5.245 -8.813 10.811 1.00 28.12 O HETATM 1154 O HOH A 409 -0.257 1.694 11.717 1.00 28.29 O HETATM 1155 O HOH A 410 6.844 -12.173 12.856 1.00 28.66 O HETATM 1156 O HOH A 411 -17.174 -2.550 -6.975 1.00 28.87 O HETATM 1157 O HOH A 412 -1.163 4.139 -16.670 1.00 29.36 O HETATM 1158 O HOH A 413 -8.042 -5.424 12.435 1.00 29.82 O HETATM 1159 O HOH A 414 -0.526 -1.006 -16.774 1.00 29.85 O HETATM 1160 O HOH A 415 6.443 5.820 3.363 1.00 30.10 O HETATM 1161 O HOH A 416 -8.927 -7.873 5.559 1.00 30.33 O HETATM 1162 O HOH A 417 -13.574 -1.447 3.219 1.00 30.93 O HETATM 1163 O HOH A 418 -6.752 -11.964 0.592 1.00 30.95 O HETATM 1164 O HOH A 419 11.637 -13.594 -7.206 1.00 31.48 O HETATM 1165 O HOH A 420 -16.678 8.074 -6.840 1.00 31.52 O HETATM 1166 O HOH A 421 -4.766 -10.473 3.535 1.00 31.66 O HETATM 1167 O HOH A 422 11.791 -8.369 6.788 1.00 31.66 O HETATM 1168 O HOH A 423 -20.319 7.510 4.237 1.00 32.50 O HETATM 1169 O HOH A 424 10.302 8.475 3.184 1.00 32.98 O HETATM 1170 O HOH A 425 24.334 -5.852 -1.505 1.00 33.06 O HETATM 1171 O HOH A 426 -12.126 0.764 12.134 1.00 33.19 O HETATM 1172 O HOH A 427 21.912 -1.112 0.675 1.00 33.37 O HETATM 1173 O HOH A 428 -6.542 15.835 -6.025 1.00 33.43 O HETATM 1174 O HOH A 429 2.847 -22.698 6.498 1.00 33.46 O HETATM 1175 O HOH A 430 -12.053 -7.189 6.284 1.00 33.64 O HETATM 1176 O HOH A 431 20.914 -0.011 3.963 1.00 34.31 O HETATM 1177 O HOH A 432 6.018 17.710 3.708 1.00 34.36 O HETATM 1178 O HOH A 433 14.700 -10.828 -0.003 1.00 34.45 O HETATM 1179 O HOH A 434 -13.719 8.278 7.170 1.00 34.62 O HETATM 1180 O HOH A 435 0.333 -19.276 10.667 1.00 35.33 O HETATM 1181 O HOH A 436 -17.547 -9.707 -10.308 1.00 35.42 O HETATM 1182 O HOH A 437 5.988 -11.815 -8.955 1.00 35.71 O HETATM 1183 O HOH A 438 -0.034 -14.309 1.860 1.00 35.91 O HETATM 1184 O HOH A 439 9.959 11.857 -0.541 1.00 35.99 O HETATM 1185 O HOH A 440 -16.103 2.114 -13.023 1.00 36.06 O HETATM 1186 O HOH A 441 1.131 -18.154 -0.436 1.00 36.35 O HETATM 1187 O HOH A 442 -18.247 -3.790 1.764 1.00 36.45 O HETATM 1188 O HOH A 443 8.911 9.892 -12.894 1.00 36.77 O HETATM 1189 O HOH A 444 -0.612 5.887 10.109 1.00 37.19 O HETATM 1190 O HOH A 445 -21.914 6.017 1.414 1.00 37.48 O HETATM 1191 O HOH A 446 -10.975 11.391 10.251 1.00 38.88 O HETATM 1192 O HOH A 447 9.376 10.908 8.308 1.00 39.07 O HETATM 1193 O HOH A 448 3.474 13.197 7.914 1.00 39.44 O HETATM 1194 O HOH A 449 -3.669 7.353 -17.824 1.00 39.93 O HETATM 1195 O HOH A 450 12.560 9.774 9.558 1.00 40.00 O HETATM 1196 O HOH A 451 -13.419 -11.979 0.884 1.00 40.82 O HETATM 1197 O HOH A 452 -14.280 -10.028 -6.044 1.00 42.49 O HETATM 1198 O HOH A 453 4.438 1.189 3.519 1.00 43.51 O HETATM 1199 O HOH A 454 18.784 7.192 13.996 1.00 44.18 O HETATM 1200 O HOH A 455 -2.037 -1.871 -19.069 1.00 50.51 O HETATM 1201 O HOH A 456 -7.218 0.133 -2.122 1.00 53.16 O HETATM 1202 O HOH A 457 3.267 -12.341 3.599 1.00 55.79 O TER 1203 HOH A 457 ENDMDL MASTER END