HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 07-FEB-07 2OTA TITLE CRYSTAL STRUCTURE OF THE UPF0352 PROTEIN CPS_2611 FROM TITLE 2 COLWELLIA PSYCHRERYTHRAEA. NESG TARGET CSR4. COMPND MOL_ID: 1; COMPND 2 MOLECULE: UPF0352 PROTEIN CPS_2611; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: COLWELLIA PSYCHRERYTHRAEA 34H; SOURCE 3 ORGANISM_TAXID: 167879; SOURCE 4 STRAIN: 34H; SOURCE 5 ATCC: BAA-681; SOURCE 6 GENE: CPS_2611; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+MAGIC; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PET21 KEYWDS NESG, Y2611_COLP3, UPF0352, CPS_2611, STRUCTURAL GENOMICS, KEYWDS 2 PSI-2, PROTEIN STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL KEYWDS 3 GENOMICS CONSORTIUM, UNKNOWN FUNCTION EXPDTA X-RAY DIFFRACTION AUTHOR S.M.VOROBIEV,W.ZHOU,M.SU,J.SEETHARAMAN,H.WANG,H.JANJUA, AUTHOR 2 K.CUNNINGHAM,L-C.MA,R.XIAO,C.LIU,T.B.ACTON,G.T.MONTELIONE, AUTHOR 3 L.TONG,J.F.HUNT,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM AUTHOR 4 (NESG) REVDAT 3 24-FEB-09 2OTA 1 VERSN REVDAT 2 09-OCT-07 2OTA 1 AUTHOR JRNL REVDAT 1 20-FEB-07 2OTA 0 JRNL AUTH S.M.VOROBIEV,W.ZHOU,M.SU,J.SEETHARAMAN,H.WANG, JRNL AUTH 2 H.JANJUA,K.CUNNINGHAM,L-C.MA,C.LIU,T.B.ACTON, JRNL AUTH 3 R.XIAO,G.T.MONTELIONE,L.TONG,J.F.HUNT JRNL TITL CRYSTAL STRUCTURE OF THE UPF0352 PROTEIN CPS_2611 JRNL TITL 2 FROM COLWELLIA PSYCHRERYTHRAEA. NESG TARGET CSR4. JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.20 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 : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 29.83 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 462891.360 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 95.1 REMARK 3 NUMBER OF REFLECTIONS : 12302 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) : 0.235 REMARK 3 FREE R VALUE : 0.261 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 611 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.011 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) : 2.20 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.34 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 80.40 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1634 REMARK 3 BIN R VALUE (WORKING SET) : 0.2230 REMARK 3 BIN FREE R VALUE : 0.2840 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 5.20 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 89 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.030 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 960 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 92 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 8.70 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 19.60 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -1.97000 REMARK 3 B22 (A**2) : -1.81000 REMARK 3 B33 (A**2) : 3.78000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.27 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) : 0.32 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.21 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.007 REMARK 3 BOND ANGLES (DEGREES) : 1.30 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 17.80 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.26 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) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.38 REMARK 3 BSOL : 58.22 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 : 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 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE FRIEDEL PAIRS WERE USED FOR REMARK 3 PHASING REMARK 4 REMARK 4 2OTA COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-FEB-07. REMARK 100 THE RCSB ID CODE IS RCSB041558. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 31-JAN-07 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : 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) : 0.97903, 0.97921, 0.96862 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 : 12604 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.200 REMARK 200 RESOLUTION RANGE LOW (A) : 30.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 96.7 REMARK 200 DATA REDUNDANCY : 6.900 REMARK 200 R MERGE (I) : 0.04700 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 50.9000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.28 REMARK 200 COMPLETENESS FOR SHELL (%) : 81.4 REMARK 200 DATA REDUNDANCY IN SHELL : 4.30 REMARK 200 R MERGE FOR SHELL (I) : 0.07900 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 21.100 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: MAD REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD REMARK 200 SOFTWARE USED: BNP, RESOLVE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: THE STRUCTURE FACTOR FILE CONTAINS FRIEDEL PAIRS REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 34.95 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.89 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 25 % PEG 3350, 0.2 M AMMONIUM REMARK 280 SULFATE, 0.1 M BIS-TRIS, PH 6.5, VAPOR DIFFUSION, HANGING REMARK 280 DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 18.86950 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 29.82500 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 29.23500 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 29.82500 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 18.86950 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 29.23500 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 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT REMARK 300 WHICH CONSISTS OF 2 CHAIN(S). SEE REMARK 350 FOR REMARK 300 INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S). REMARK 300 AUTHORS STATE THAT THEIR LIGHT SCATTERING DATA CONFIRM REMARK 300 THAT THE PROTEIN IS A DIMER IN SOLUTION. 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 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 MSE A 1 REMARK 465 PRO A 2 REMARK 465 ILE A 3 REMARK 465 VAL A 4 REMARK 465 SER A 5 REMARK 465 LYS A 6 REMARK 465 HIS A 74 REMARK 465 HIS A 75 REMARK 465 HIS A 76 REMARK 465 MSE B 1 REMARK 465 PRO B 2 REMARK 465 ILE B 3 REMARK 465 VAL B 4 REMARK 465 SER B 5 REMARK 465 LYS B 6 REMARK 465 TYR B 7 REMARK 465 SER B 8 REMARK 465 GLU B 70 REMARK 465 HIS B 71 REMARK 465 HIS B 72 REMARK 465 HIS B 73 REMARK 465 HIS B 74 REMARK 465 HIS B 75 REMARK 465 HIS B 76 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 ASN A 9 CG OD1 ND2 REMARK 470 GLU A 10 CG CD OE1 OE2 REMARK 470 LYS A 14 CG CD CE NZ REMARK 470 LYS A 65 CG CD CE NZ REMARK 470 GLN A 66 CG CD OE1 NE2 REMARK 470 SER A 67 OG REMARK 470 HIS A 72 CG ND1 CD2 CE1 NE2 REMARK 470 ASN B 9 CG OD1 ND2 REMARK 470 GLU B 10 CG CD OE1 OE2 REMARK 470 LYS B 14 CG CD CE NZ REMARK 470 SER B 67 OG 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 GLU B 10 N - CA - CB ANGL. DEV. = 14.3 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 ASN B 9 GLU B 10 144.46 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 94 DISTANCE = 5.22 ANGSTROMS REMARK 525 HOH A 104 DISTANCE = 5.62 ANGSTROMS REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: CSR4 RELATED DB: TARGETDB DBREF 2OTA A 1 68 UNP Q481E4 Y2611_COLP3 1 68 DBREF 2OTA B 1 68 UNP Q481E4 Y2611_COLP3 1 68 SEQADV 2OTA MSE A 1 UNP Q481E4 MET 1 MODIFIED RESIDUE SEQADV 2OTA MSE A 35 UNP Q481E4 MET 35 MODIFIED RESIDUE SEQADV 2OTA LEU A 69 UNP Q481E4 EXPRESSION TAG SEQADV 2OTA GLU A 70 UNP Q481E4 EXPRESSION TAG SEQADV 2OTA HIS A 71 UNP Q481E4 EXPRESSION TAG SEQADV 2OTA HIS A 72 UNP Q481E4 EXPRESSION TAG SEQADV 2OTA HIS A 73 UNP Q481E4 EXPRESSION TAG SEQADV 2OTA HIS A 74 UNP Q481E4 EXPRESSION TAG SEQADV 2OTA HIS A 75 UNP Q481E4 EXPRESSION TAG SEQADV 2OTA HIS A 76 UNP Q481E4 EXPRESSION TAG SEQADV 2OTA MSE B 1 UNP Q481E4 MET 1 MODIFIED RESIDUE SEQADV 2OTA MSE B 35 UNP Q481E4 MET 35 MODIFIED RESIDUE SEQADV 2OTA LEU B 69 UNP Q481E4 EXPRESSION TAG SEQADV 2OTA GLU B 70 UNP Q481E4 EXPRESSION TAG SEQADV 2OTA HIS B 71 UNP Q481E4 EXPRESSION TAG SEQADV 2OTA HIS B 72 UNP Q481E4 EXPRESSION TAG SEQADV 2OTA HIS B 73 UNP Q481E4 EXPRESSION TAG SEQADV 2OTA HIS B 74 UNP Q481E4 EXPRESSION TAG SEQADV 2OTA HIS B 75 UNP Q481E4 EXPRESSION TAG SEQADV 2OTA HIS B 76 UNP Q481E4 EXPRESSION TAG SEQRES 1 A 76 MSE PRO ILE VAL SER LYS TYR SER ASN GLU ARG VAL GLU SEQRES 2 A 76 LYS ILE ILE GLN ASP LEU LEU ASP VAL LEU VAL LYS GLU SEQRES 3 A 76 GLU VAL THR PRO ASP LEU ALA LEU MSE CYS LEU GLY ASN SEQRES 4 A 76 ALA VAL THR ASN ILE ILE ALA GLN VAL PRO GLU SER LYS SEQRES 5 A 76 ARG VAL ALA VAL VAL ASP ASN PHE THR LYS ALA LEU LYS SEQRES 6 A 76 GLN SER VAL LEU GLU HIS HIS HIS HIS HIS HIS SEQRES 1 B 76 MSE PRO ILE VAL SER LYS TYR SER ASN GLU ARG VAL GLU SEQRES 2 B 76 LYS ILE ILE GLN ASP LEU LEU ASP VAL LEU VAL LYS GLU SEQRES 3 B 76 GLU VAL THR PRO ASP LEU ALA LEU MSE CYS LEU GLY ASN SEQRES 4 B 76 ALA VAL THR ASN ILE ILE ALA GLN VAL PRO GLU SER LYS SEQRES 5 B 76 ARG VAL ALA VAL VAL ASP ASN PHE THR LYS ALA LEU LYS SEQRES 6 B 76 GLN SER VAL LEU GLU HIS HIS HIS HIS HIS HIS MODRES 2OTA MSE A 35 MET SELENOMETHIONINE MODRES 2OTA MSE B 35 MET SELENOMETHIONINE HET MSE A 35 8 HET MSE B 35 8 HETNAM MSE SELENOMETHIONINE FORMUL 1 MSE 2(C5 H11 N O2 SE) FORMUL 3 HOH *92(H2 O) HELIX 1 1 SER A 8 GLU A 26 1 19 HELIX 2 2 THR A 29 ALA A 46 1 18 HELIX 3 3 GLN A 47 VAL A 48 5 2 HELIX 4 4 PRO A 49 SER A 51 5 3 HELIX 5 5 LYS A 52 HIS A 71 1 20 HELIX 6 6 GLU B 10 GLU B 26 1 17 HELIX 7 7 THR B 29 ALA B 46 1 18 HELIX 8 8 PRO B 49 LEU B 69 1 21 LINK C LEU A 34 N MSE A 35 1555 1555 1.33 LINK C MSE A 35 N CYS A 36 1555 1555 1.33 LINK C LEU B 34 N MSE B 35 1555 1555 1.33 LINK C MSE B 35 N CYS B 36 1555 1555 1.33 CRYST1 37.739 58.470 59.650 90.00 90.00 90.00 P 21 21 21 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 0.026498 0.000000 0.000000 0.00000 SCALE2 0.000000 0.017103 0.000000 0.00000 SCALE3 0.000000 0.000000 0.016764 0.00000 REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 2OTA.PDB, MODEL/S 1 2OTA.PDB REMARK PdbStat -- SEQRES 1 A 220 TYR SER ASN GLU ARG VAL GLU LYS ILE ILE GLN ASP LEU SEQRES 2 A 220 LEU ASP VAL LEU VAL LYS GLU GLU VAL THR PRO ASP LEU SEQRES 3 A 220 ALA LEU MSE CYS LEU GLY ASN ALA VAL THR ASN ILE ILE SEQRES 4 A 220 ALA GLN VAL PRO GLU SER LYS ARG VAL ALA VAL VAL ASP SEQRES 5 A 220 ASN PHE THR LYS ALA LEU LYS GLN SER VAL LEU GLU HIS SEQRES 6 A 220 HIS HIS ASN GLU ARG VAL GLU LYS ILE ILE GLN ASP LEU SEQRES 7 A 220 LEU ASP VAL LEU VAL LYS GLU GLU VAL THR PRO ASP LEU SEQRES 8 A 220 ALA LEU MSE CYS LEU GLY ASN ALA VAL THR ASN ILE ILE SEQRES 9 A 220 ALA GLN VAL PRO GLU SER LYS ARG VAL ALA VAL VAL ASP SEQRES 10 A 220 ASN PHE THR LYS ALA LEU LYS GLN SER VAL LEU HOH HOH SEQRES 11 A 220 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 12 A 220 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 13 A 220 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 220 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 220 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 220 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 220 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 2OTA.PDB, MODEL/S 1 2OTA.PDB REMARK PdbStat -- SEQRES 1 A 220 TYR SER ASN GLU ARG VAL GLU LYS ILE ILE GLN ASP LEU SEQRES 2 A 220 LEU ASP VAL LEU VAL LYS GLU GLU VAL THR PRO ASP LEU SEQRES 3 A 220 ALA LEU MSE CYS LEU GLY ASN ALA VAL THR ASN ILE ILE SEQRES 4 A 220 ALA GLN VAL PRO GLU SER LYS ARG VAL ALA VAL VAL ASP SEQRES 5 A 220 ASN PHE THR LYS ALA LEU LYS GLN SER VAL LEU GLU HIS SEQRES 6 A 220 HIS HIS ASN GLU ARG VAL GLU LYS ILE ILE GLN ASP LEU SEQRES 7 A 220 LEU ASP VAL LEU VAL LYS GLU GLU VAL THR PRO ASP LEU SEQRES 8 A 220 ALA LEU MSE CYS LEU GLY ASN ALA VAL THR ASN ILE ILE SEQRES 9 A 220 ALA GLN VAL PRO GLU SER LYS ARG VAL ALA VAL VAL ASP SEQRES 10 A 220 ASN PHE THR LYS ALA LEU LYS GLN SER VAL LEU HOH HOH SEQRES 11 A 220 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 12 A 220 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 13 A 220 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 220 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 220 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 220 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 220 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 2OTA.PDB, MODEL/S 1 2OTA.PDB REMARK PdbStat -- SEQRES 1 A 220 TYR SER ASN GLU ARG VAL GLU LYS ILE ILE GLN ASP LEU SEQRES 2 A 220 LEU ASP VAL LEU VAL LYS GLU GLU VAL THR PRO ASP LEU SEQRES 3 A 220 ALA LEU MSE CYS LEU GLY ASN ALA VAL THR ASN ILE ILE SEQRES 4 A 220 ALA GLN VAL PRO GLU SER LYS ARG VAL ALA VAL VAL ASP SEQRES 5 A 220 ASN PHE THR LYS ALA LEU LYS GLN SER VAL LEU GLU HIS SEQRES 6 A 220 HIS HIS ASN GLU ARG VAL GLU LYS ILE ILE GLN ASP LEU SEQRES 7 A 220 LEU ASP VAL LEU VAL LYS GLU GLU VAL THR PRO ASP LEU SEQRES 8 A 220 ALA LEU MSE CYS LEU GLY ASN ALA VAL THR ASN ILE ILE SEQRES 9 A 220 ALA GLN VAL PRO GLU SER LYS ARG VAL ALA VAL VAL ASP SEQRES 10 A 220 ASN PHE THR LYS ALA LEU LYS GLN SER VAL LEU HOH HOH SEQRES 11 A 220 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 12 A 220 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 13 A 220 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 220 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 220 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 220 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 220 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 2OTA.PDB, MODEL/S 1 2OTA.PDB REMARK PdbStat -- SEQRES 1 A 220 TYR SER ASN GLU ARG VAL GLU LYS ILE ILE GLN ASP LEU SEQRES 2 A 220 LEU ASP VAL LEU VAL LYS GLU GLU VAL THR PRO ASP LEU SEQRES 3 A 220 ALA LEU MSE CYS LEU GLY ASN ALA VAL THR ASN ILE ILE SEQRES 4 A 220 ALA GLN VAL PRO GLU SER LYS ARG VAL ALA VAL VAL ASP SEQRES 5 A 220 ASN PHE THR LYS ALA LEU LYS GLN SER VAL LEU GLU HIS SEQRES 6 A 220 HIS HIS ASN GLU ARG VAL GLU LYS ILE ILE GLN ASP LEU SEQRES 7 A 220 LEU ASP VAL LEU VAL LYS GLU GLU VAL THR PRO ASP LEU SEQRES 8 A 220 ALA LEU MSE CYS LEU GLY ASN ALA VAL THR ASN ILE ILE SEQRES 9 A 220 ALA GLN VAL PRO GLU SER LYS ARG VAL ALA VAL VAL ASP SEQRES 10 A 220 ASN PHE THR LYS ALA LEU LYS GLN SER VAL LEU HOH HOH SEQRES 11 A 220 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 12 A 220 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 13 A 220 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 220 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 220 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 220 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 220 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH MODEL 1 REMARK CONFORMATION 1 ENERGY 0.0000 REMARK FAMILY or FILE: 2OTA.pdb ATOM 1 N TYR A 7 3.839 -8.861 -16.962 1.00 28.07 N ATOM 2 CA TYR A 7 2.645 -8.366 -16.224 1.00 28.20 C ATOM 3 C TYR A 7 2.242 -6.995 -16.750 1.00 28.70 C ATOM 4 O TYR A 7 3.095 -6.152 -17.023 1.00 28.86 O ATOM 5 CB TYR A 7 2.949 -8.274 -14.727 1.00 27.86 C ATOM 6 CG TYR A 7 3.434 -9.571 -14.122 1.00 28.21 C ATOM 7 CD1 TYR A 7 2.583 -10.672 -14.003 1.00 28.41 C ATOM 8 CD2 TYR A 7 4.753 -9.706 -13.687 1.00 27.36 C ATOM 9 CE1 TYR A 7 3.039 -11.879 -13.464 1.00 28.04 C ATOM 10 CE2 TYR A 7 5.217 -10.901 -13.152 1.00 26.11 C ATOM 11 CZ TYR A 7 4.357 -11.983 -13.043 1.00 28.00 C ATOM 12 OH TYR A 7 4.818 -13.167 -12.512 1.00 28.93 O ATOM 13 N SER A 8 0.940 -6.779 -16.896 1.00 29.62 N ATOM 14 CA SER A 8 0.427 -5.508 -17.386 1.00 30.41 C ATOM 15 C SER A 8 0.657 -4.404 -16.357 1.00 31.33 C ATOM 16 O SER A 8 0.508 -4.623 -15.150 1.00 30.46 O ATOM 17 CB SER A 8 -1.069 -5.629 -17.689 1.00 30.62 C ATOM 18 OG SER A 8 -1.799 -5.970 -16.523 1.00 31.05 O ATOM 19 N ASN A 9 1.022 -3.218 -16.839 1.00 30.94 N ATOM 20 CA ASN A 9 1.266 -2.082 -15.961 1.00 30.51 C ATOM 21 C ASN A 9 0.034 -1.852 -15.099 1.00 29.83 C ATOM 22 O ASN A 9 0.141 -1.455 -13.942 1.00 30.24 O ATOM 23 CB ASN A 9 1.571 -0.838 -16.784 1.00 31.55 C ATOM 24 N GLU A 10 -1.134 -2.119 -15.678 1.00 28.38 N ATOM 25 CA GLU A 10 -2.406 -1.955 -14.986 1.00 26.51 C ATOM 26 C GLU A 10 -2.516 -2.858 -13.766 1.00 24.83 C ATOM 27 O GLU A 10 -2.837 -2.393 -12.676 1.00 25.66 O ATOM 28 CB GLU A 10 -3.566 -2.236 -15.946 1.00 26.82 C ATOM 29 N ARG A 11 -2.265 -4.150 -13.949 1.00 24.23 N ATOM 30 CA ARG A 11 -2.353 -5.091 -12.841 1.00 23.25 C ATOM 31 C ARG A 11 -1.363 -4.721 -11.744 1.00 23.00 C ATOM 32 O ARG A 11 -1.727 -4.625 -10.573 1.00 22.75 O ATOM 33 CB ARG A 11 -2.075 -6.520 -13.316 1.00 24.42 C ATOM 34 CG ARG A 11 -2.347 -7.580 -12.249 1.00 25.63 C ATOM 35 CD ARG A 11 -2.013 -8.992 -12.725 1.00 26.36 C ATOM 36 NE ARG A 11 -2.209 -9.978 -11.664 1.00 29.15 N ATOM 37 CZ ARG A 11 -1.810 -11.246 -11.729 1.00 29.45 C ATOM 38 NH1 ARG A 11 -1.187 -11.694 -12.811 1.00 28.91 N ATOM 39 NH2 ARG A 11 -2.024 -12.064 -10.706 1.00 28.42 N ATOM 40 N VAL A 12 -0.110 -4.509 -12.135 1.00 22.09 N ATOM 41 CA VAL A 12 0.939 -4.160 -11.190 1.00 20.74 C ATOM 42 C VAL A 12 0.574 -2.901 -10.420 1.00 21.92 C ATOM 43 O VAL A 12 0.672 -2.858 -9.194 1.00 20.50 O ATOM 44 CB VAL A 12 2.283 -3.943 -11.923 1.00 21.81 C ATOM 45 CG1 VAL A 12 3.352 -3.456 -10.949 1.00 17.55 C ATOM 46 CG2 VAL A 12 2.719 -5.248 -12.590 1.00 20.41 C ATOM 47 N GLU A 13 0.134 -1.881 -11.146 1.00 22.28 N ATOM 48 CA GLU A 13 -0.233 -0.614 -10.530 1.00 22.72 C ATOM 49 C GLU A 13 -1.383 -0.759 -9.535 1.00 20.77 C ATOM 50 O GLU A 13 -1.347 -0.191 -8.445 1.00 18.66 O ATOM 51 CB GLU A 13 -0.606 0.400 -11.611 1.00 25.05 C ATOM 52 CG GLU A 13 -0.638 1.833 -11.116 1.00 32.02 C ATOM 53 CD GLU A 13 0.714 2.298 -10.595 1.00 35.52 C ATOM 54 OE1 GLU A 13 1.709 1.558 -10.760 1.00 35.91 O ATOM 55 OE2 GLU A 13 0.782 3.409 -10.027 1.00 39.29 O ATOM 56 N LYS A 14 -2.401 -1.522 -9.914 1.00 19.82 N ATOM 57 CA LYS A 14 -3.555 -1.735 -9.049 1.00 18.25 C ATOM 58 C LYS A 14 -3.169 -2.470 -7.762 1.00 17.53 C ATOM 59 O LYS A 14 -3.654 -2.143 -6.677 1.00 18.25 O ATOM 60 CB LYS A 14 -4.620 -2.518 -9.798 1.00 17.62 C ATOM 61 N ILE A 15 -2.298 -3.465 -7.886 1.00 16.46 N ATOM 62 CA ILE A 15 -1.860 -4.235 -6.730 1.00 15.75 C ATOM 63 C ILE A 15 -1.077 -3.360 -5.761 1.00 14.81 C ATOM 64 O ILE A 15 -1.271 -3.441 -4.550 1.00 15.97 O ATOM 65 CB ILE A 15 -0.992 -5.437 -7.165 1.00 15.72 C ATOM 66 CG1 ILE A 15 -1.826 -6.370 -8.051 1.00 13.70 C ATOM 67 CG2 ILE A 15 -0.477 -6.181 -5.939 1.00 14.77 C ATOM 68 CD1 ILE A 15 -1.047 -7.496 -8.691 1.00 14.47 C ATOM 69 N ILE A 16 -0.198 -2.520 -6.293 1.00 13.43 N ATOM 70 CA ILE A 16 0.594 -1.631 -5.451 1.00 15.10 C ATOM 71 C ILE A 16 -0.337 -0.699 -4.680 1.00 15.67 C ATOM 72 O ILE A 16 -0.190 -0.518 -3.469 1.00 15.91 O ATOM 73 CB ILE A 16 1.566 -0.778 -6.293 1.00 14.89 C ATOM 74 CG1 ILE A 16 2.579 -1.684 -6.988 1.00 10.76 C ATOM 75 CG2 ILE A 16 2.272 0.240 -5.405 1.00 16.00 C ATOM 76 CD1 ILE A 16 3.448 -0.961 -7.986 1.00 13.06 C ATOM 77 N GLN A 17 -1.305 -0.123 -5.386 1.00 14.33 N ATOM 78 CA GLN A 17 -2.256 0.784 -4.760 1.00 15.76 C ATOM 79 C GLN A 17 -3.101 0.078 -3.701 1.00 14.25 C ATOM 80 O GLN A 17 -3.458 0.685 -2.688 1.00 13.73 O ATOM 81 CB GLN A 17 -3.164 1.423 -5.819 1.00 17.66 C ATOM 82 CG GLN A 17 -4.052 2.532 -5.274 1.00 21.30 C ATOM 83 CD GLN A 17 -3.264 3.611 -4.547 1.00 25.42 C ATOM 84 OE1 GLN A 17 -3.379 3.772 -3.330 1.00 28.26 O ATOM 85 NE2 GLN A 17 -2.454 4.356 -5.292 1.00 27.52 N ATOM 86 N ASP A 18 -3.426 -1.193 -3.934 1.00 12.63 N ATOM 87 CA ASP A 18 -4.212 -1.960 -2.966 1.00 13.40 C ATOM 88 C ASP A 18 -3.367 -2.199 -1.713 1.00 12.61 C ATOM 89 O ASP A 18 -3.880 -2.225 -0.590 1.00 10.40 O ATOM 90 CB ASP A 18 -4.645 -3.318 -3.543 1.00 15.68 C ATOM 91 CG ASP A 18 -5.818 -3.209 -4.511 1.00 17.75 C ATOM 92 OD1 ASP A 18 -6.547 -2.198 -4.459 1.00 19.55 O ATOM 93 OD2 ASP A 18 -6.022 -4.148 -5.315 1.00 18.74 O ATOM 94 N LEU A 19 -2.067 -2.388 -1.921 1.00 12.39 N ATOM 95 CA LEU A 19 -1.138 -2.604 -0.822 1.00 11.43 C ATOM 96 C LEU A 19 -1.033 -1.340 0.022 1.00 10.68 C ATOM 97 O LEU A 19 -1.070 -1.396 1.251 1.00 9.81 O ATOM 98 CB LEU A 19 0.246 -2.972 -1.361 1.00 11.28 C ATOM 99 CG LEU A 19 0.421 -4.399 -1.886 1.00 11.44 C ATOM 100 CD1 LEU A 19 1.821 -4.567 -2.490 1.00 7.76 C ATOM 101 CD2 LEU A 19 0.191 -5.381 -0.736 1.00 9.19 C ATOM 102 N LEU A 20 -0.904 -0.199 -0.648 1.00 10.50 N ATOM 103 CA LEU A 20 -0.792 1.082 0.037 1.00 11.95 C ATOM 104 C LEU A 20 -2.093 1.483 0.724 1.00 12.48 C ATOM 105 O LEU A 20 -2.070 2.163 1.749 1.00 13.08 O ATOM 106 CB LEU A 20 -0.375 2.174 -0.952 1.00 12.52 C ATOM 107 CG LEU A 20 0.998 1.999 -1.610 1.00 13.02 C ATOM 108 CD1 LEU A 20 1.188 3.053 -2.711 1.00 10.60 C ATOM 109 CD2 LEU A 20 2.091 2.111 -0.549 1.00 10.51 C ATOM 110 N ASP A 21 -3.227 1.069 0.158 1.00 12.69 N ATOM 111 CA ASP A 21 -4.518 1.399 0.746 1.00 11.18 C ATOM 112 C ASP A 21 -4.641 0.782 2.130 1.00 10.62 C ATOM 113 O ASP A 21 -5.147 1.415 3.053 1.00 9.83 O ATOM 114 CB ASP A 21 -5.669 0.906 -0.134 1.00 14.76 C ATOM 115 CG ASP A 21 -5.834 1.728 -1.398 1.00 17.38 C ATOM 116 OD1 ASP A 21 -5.391 2.896 -1.419 1.00 17.70 O ATOM 117 OD2 ASP A 21 -6.423 1.208 -2.367 1.00 21.01 O ATOM 118 N VAL A 22 -4.179 -0.458 2.263 1.00 10.23 N ATOM 119 CA VAL A 22 -4.223 -1.166 3.537 1.00 10.68 C ATOM 120 C VAL A 22 -3.528 -0.326 4.605 1.00 10.86 C ATOM 121 O VAL A 22 -4.024 -0.179 5.723 1.00 11.13 O ATOM 122 CB VAL A 22 -3.515 -2.546 3.428 1.00 10.92 C ATOM 123 CG1 VAL A 22 -3.295 -3.161 4.813 1.00 9.10 C ATOM 124 CG2 VAL A 22 -4.345 -3.472 2.580 1.00 10.55 C ATOM 125 N LEU A 23 -2.379 0.231 4.244 1.00 11.11 N ATOM 126 CA LEU A 23 -1.600 1.051 5.161 1.00 11.61 C ATOM 127 C LEU A 23 -2.280 2.391 5.459 1.00 11.49 C ATOM 128 O LEU A 23 -2.342 2.824 6.610 1.00 9.12 O ATOM 129 CB LEU A 23 -0.205 1.278 4.576 1.00 10.94 C ATOM 130 CG LEU A 23 0.568 -0.015 4.323 1.00 10.26 C ATOM 131 CD1 LEU A 23 1.862 0.297 3.597 1.00 11.32 C ATOM 132 CD2 LEU A 23 0.852 -0.711 5.646 1.00 10.46 C ATOM 133 N VAL A 24 -2.780 3.047 4.418 1.00 11.86 N ATOM 134 CA VAL A 24 -3.462 4.320 4.588 1.00 13.90 C ATOM 135 C VAL A 24 -4.674 4.117 5.491 1.00 14.71 C ATOM 136 O VAL A 24 -4.905 4.874 6.437 1.00 14.74 O ATOM 137 CB VAL A 24 -3.935 4.891 3.224 1.00 14.98 C ATOM 138 CG1 VAL A 24 -4.782 6.142 3.445 1.00 13.74 C ATOM 139 CG2 VAL A 24 -2.728 5.219 2.354 1.00 11.75 C ATOM 140 N LYS A 25 -5.440 3.075 5.199 1.00 15.96 N ATOM 141 CA LYS A 25 -6.628 2.768 5.974 1.00 16.50 C ATOM 142 C LYS A 25 -6.300 2.593 7.457 1.00 17.63 C ATOM 143 O LYS A 25 -7.086 2.983 8.318 1.00 16.73 O ATOM 144 CB LYS A 25 -7.287 1.502 5.430 1.00 17.46 C ATOM 145 CG LYS A 25 -8.593 1.153 6.107 1.00 19.85 C ATOM 146 CD LYS A 25 -9.244 -0.015 5.404 1.00 25.24 C ATOM 147 CE LYS A 25 -10.616 -0.310 5.961 1.00 28.14 C ATOM 148 NZ LYS A 25 -11.228 -1.443 5.213 1.00 33.42 N ATOM 149 N GLU A 26 -5.136 2.020 7.749 1.00 17.04 N ATOM 150 CA GLU A 26 -4.723 1.795 9.127 1.00 19.51 C ATOM 151 C GLU A 26 -4.012 3.005 9.761 1.00 19.97 C ATOM 152 O GLU A 26 -3.610 2.957 10.919 1.00 18.97 O ATOM 153 CB GLU A 26 -3.822 0.555 9.197 1.00 23.00 C ATOM 154 CG GLU A 26 -3.570 0.041 10.607 1.00 28.42 C ATOM 155 CD GLU A 26 -4.823 -0.499 11.277 1.00 29.75 C ATOM 156 OE1 GLU A 26 -4.807 -0.657 12.516 1.00 32.28 O ATOM 157 OE2 GLU A 26 -5.818 -0.775 10.572 1.00 30.68 O ATOM 158 N GLU A 27 -3.865 4.089 9.004 1.00 21.57 N ATOM 159 CA GLU A 27 -3.217 5.302 9.506 1.00 23.07 C ATOM 160 C GLU A 27 -1.882 5.022 10.192 1.00 23.62 C ATOM 161 O GLU A 27 -1.614 5.530 11.288 1.00 25.00 O ATOM 162 CB GLU A 27 -4.143 6.029 10.489 1.00 23.54 C ATOM 163 CG GLU A 27 -5.454 6.474 9.879 1.00 26.44 C ATOM 164 CD GLU A 27 -6.348 7.212 10.863 1.00 27.66 C ATOM 165 OE1 GLU A 27 -6.819 6.584 11.835 1.00 27.20 O ATOM 166 OE2 GLU A 27 -6.578 8.423 10.661 1.00 28.78 O ATOM 167 N VAL A 28 -1.042 4.228 9.536 1.00 22.72 N ATOM 168 CA VAL A 28 0.262 3.862 10.081 1.00 21.98 C ATOM 169 C VAL A 28 1.349 4.883 9.785 1.00 21.62 C ATOM 170 O VAL A 28 1.253 5.647 8.830 1.00 22.72 O ATOM 171 CB VAL A 28 0.739 2.517 9.510 1.00 20.51 C ATOM 172 CG1 VAL A 28 -0.293 1.441 9.798 1.00 21.23 C ATOM 173 CG2 VAL A 28 0.987 2.647 8.004 1.00 19.49 C ATOM 174 N THR A 29 2.384 4.886 10.619 1.00 23.39 N ATOM 175 CA THR A 29 3.528 5.772 10.434 1.00 21.70 C ATOM 176 C THR A 29 4.493 5.010 9.528 1.00 19.89 C ATOM 177 O THR A 29 4.399 3.789 9.402 1.00 17.22 O ATOM 178 CB THR A 29 4.246 6.082 11.772 1.00 23.35 C ATOM 179 OG1 THR A 29 4.721 4.863 12.358 1.00 23.16 O ATOM 180 CG2 THR A 29 3.296 6.769 12.745 1.00 24.76 C ATOM 181 N PRO A 30 5.424 5.719 8.874 1.00 20.49 N ATOM 182 CA PRO A 30 6.387 5.063 7.986 1.00 20.38 C ATOM 183 C PRO A 30 7.121 3.879 8.608 1.00 19.55 C ATOM 184 O PRO A 30 7.270 2.840 7.969 1.00 19.17 O ATOM 185 CB PRO A 30 7.321 6.203 7.601 1.00 21.07 C ATOM 186 CG PRO A 30 6.369 7.359 7.506 1.00 22.05 C ATOM 187 CD PRO A 30 5.538 7.186 8.770 1.00 21.47 C ATOM 188 N ASP A 31 7.580 4.041 9.847 1.00 20.88 N ATOM 189 CA ASP A 31 8.296 2.978 10.556 1.00 21.08 C ATOM 190 C ASP A 31 7.458 1.715 10.668 1.00 18.96 C ATOM 191 O ASP A 31 7.948 0.614 10.418 1.00 16.60 O ATOM 192 CB ASP A 31 8.693 3.439 11.963 1.00 26.58 C ATOM 193 CG ASP A 31 10.042 4.150 11.991 1.00 32.97 C ATOM 194 OD1 ASP A 31 10.260 5.059 11.161 1.00 35.49 O ATOM 195 OD2 ASP A 31 10.883 3.800 12.853 1.00 36.33 O ATOM 196 N LEU A 32 6.196 1.872 11.053 1.00 16.86 N ATOM 197 CA LEU A 32 5.307 0.724 11.183 1.00 16.98 C ATOM 198 C LEU A 32 5.028 0.125 9.804 1.00 16.73 C ATOM 199 O LEU A 32 5.059 -1.092 9.623 1.00 16.58 O ATOM 200 CB LEU A 32 3.997 1.145 11.856 1.00 16.76 C ATOM 201 CG LEU A 32 2.855 0.124 11.877 1.00 17.64 C ATOM 202 CD1 LEU A 32 3.335 -1.175 12.506 1.00 18.33 C ATOM 203 CD2 LEU A 32 1.679 0.689 12.654 1.00 16.04 C ATOM 204 N ALA A 33 4.768 0.992 8.831 1.00 16.24 N ATOM 205 CA ALA A 33 4.484 0.553 7.471 1.00 16.19 C ATOM 206 C ALA A 33 5.612 -0.334 6.942 1.00 15.83 C ATOM 207 O ALA A 33 5.365 -1.356 6.297 1.00 15.10 O ATOM 208 CB ALA A 33 4.300 1.767 6.560 1.00 14.00 C ATOM 209 N LEU A 34 6.849 0.058 7.229 1.00 13.53 N ATOM 210 CA LEU A 34 8.010 -0.689 6.771 1.00 14.37 C ATOM 211 C LEU A 34 8.197 -2.007 7.506 1.00 14.86 C ATOM 212 O LEU A 34 8.625 -2.997 6.918 1.00 14.85 O ATOM 213 CB LEU A 34 9.267 0.171 6.905 1.00 13.75 C ATOM 214 CG LEU A 34 9.283 1.390 5.982 1.00 12.77 C ATOM 215 CD1 LEU A 34 10.537 2.202 6.258 1.00 12.87 C ATOM 216 CD2 LEU A 34 9.230 0.947 4.519 1.00 8.95 C HETATM 217 N MSE A 35 7.881 -2.015 8.794 1.00 16.93 N HETATM 218 CA MSE A 35 7.993 -3.225 9.596 1.00 16.96 C HETATM 219 C MSE A 35 7.037 -4.256 8.998 1.00 13.95 C HETATM 220 O MSE A 35 7.364 -5.431 8.871 1.00 13.99 O HETATM 221 CB MSE A 35 7.600 -2.919 11.045 1.00 24.38 C HETATM 222 CG MSE A 35 7.940 -4.007 12.054 1.00 33.62 C HETATM 223 SE MSE A 35 7.220 -3.648 13.831 1.00 52.11 HETATM 224 CE MSE A 35 7.431 -1.724 13.879 1.00 38.46 C ATOM 225 N CYS A 36 5.853 -3.802 8.614 1.00 11.78 N ATOM 226 CA CYS A 36 4.851 -4.693 8.041 1.00 12.11 C ATOM 227 C CYS A 36 5.191 -5.162 6.624 1.00 10.93 C ATOM 228 O CYS A 36 5.000 -6.330 6.284 1.00 9.07 O ATOM 229 CB CYS A 36 3.481 -4.007 8.070 1.00 10.25 C ATOM 230 SG CYS A 36 2.865 -3.743 9.760 1.00 14.00 S ATOM 231 N LEU A 37 5.692 -4.254 5.796 1.00 11.54 N ATOM 232 CA LEU A 37 6.051 -4.618 4.436 1.00 12.47 C ATOM 233 C LEU A 37 7.254 -5.559 4.420 1.00 12.46 C ATOM 234 O LEU A 37 7.310 -6.482 3.608 1.00 14.58 O ATOM 235 CB LEU A 37 6.343 -3.364 3.609 1.00 13.61 C ATOM 236 CG LEU A 37 5.119 -2.505 3.274 1.00 13.63 C ATOM 237 CD1 LEU A 37 5.555 -1.186 2.632 1.00 12.01 C ATOM 238 CD2 LEU A 37 4.199 -3.291 2.348 1.00 13.06 C ATOM 239 N GLY A 38 8.208 -5.327 5.318 1.00 12.68 N ATOM 240 CA GLY A 38 9.389 -6.175 5.391 1.00 11.40 C ATOM 241 C GLY A 38 9.018 -7.606 5.747 1.00 12.75 C ATOM 242 O GLY A 38 9.530 -8.571 5.160 1.00 11.44 O ATOM 243 N ASN A 39 8.130 -7.742 6.727 1.00 12.24 N ATOM 244 CA ASN A 39 7.655 -9.049 7.159 1.00 12.88 C ATOM 245 C ASN A 39 6.904 -9.731 6.017 1.00 11.19 C ATOM 246 O ASN A 39 7.000 -10.943 5.832 1.00 11.45 O ATOM 247 CB ASN A 39 6.729 -8.890 8.361 1.00 15.23 C ATOM 248 CG ASN A 39 7.451 -9.064 9.675 1.00 17.72 C ATOM 249 OD1 ASN A 39 7.732 -10.185 10.091 1.00 23.17 O ATOM 250 ND2 ASN A 39 7.768 -7.956 10.330 1.00 18.89 N ATOM 251 N ALA A 40 6.155 -8.940 5.259 1.00 8.85 N ATOM 252 CA ALA A 40 5.389 -9.447 4.129 1.00 8.74 C ATOM 253 C ALA A 40 6.335 -10.016 3.074 1.00 9.18 C ATOM 254 O ALA A 40 6.102 -11.093 2.522 1.00 9.08 O ATOM 255 CB ALA A 40 4.549 -8.322 3.531 1.00 9.53 C ATOM 256 N VAL A 41 7.405 -9.277 2.807 1.00 9.39 N ATOM 257 CA VAL A 41 8.410 -9.667 1.828 1.00 9.23 C ATOM 258 C VAL A 41 9.125 -10.951 2.237 1.00 11.61 C ATOM 259 O VAL A 41 9.374 -11.825 1.399 1.00 9.61 O ATOM 260 CB VAL A 41 9.435 -8.529 1.642 1.00 6.59 C ATOM 261 CG1 VAL A 41 10.542 -8.953 0.696 1.00 6.82 C ATOM 262 CG2 VAL A 41 8.729 -7.305 1.100 1.00 5.88 C ATOM 263 N THR A 42 9.453 -11.059 3.527 1.00 13.83 N ATOM 264 CA THR A 42 10.126 -12.244 4.056 1.00 13.13 C ATOM 265 C THR A 42 9.203 -13.439 3.868 1.00 13.06 C ATOM 266 O THR A 42 9.648 -14.538 3.532 1.00 11.40 O ATOM 267 CB THR A 42 10.457 -12.084 5.572 1.00 15.21 C ATOM 268 OG1 THR A 42 11.351 -10.980 5.752 1.00 16.86 O ATOM 269 CG2 THR A 42 11.133 -13.339 6.121 1.00 14.84 C ATOM 270 N ASN A 43 7.910 -13.215 4.080 1.00 14.64 N ATOM 271 CA ASN A 43 6.915 -14.272 3.921 1.00 14.22 C ATOM 272 C ASN A 43 6.902 -14.759 2.477 1.00 12.99 C ATOM 273 O ASN A 43 6.812 -15.957 2.218 1.00 13.31 O ATOM 274 CB ASN A 43 5.529 -13.748 4.310 1.00 18.12 C ATOM 275 CG ASN A 43 4.460 -14.834 4.293 1.00 22.35 C ATOM 276 OD1 ASN A 43 4.089 -15.348 3.234 1.00 23.17 O ATOM 277 ND2 ASN A 43 3.959 -15.186 5.473 1.00 22.61 N ATOM 278 N ILE A 44 7.009 -13.831 1.531 1.00 12.79 N ATOM 279 CA ILE A 44 6.998 -14.197 0.121 1.00 13.10 C ATOM 280 C ILE A 44 8.279 -14.910 -0.309 1.00 14.49 C ATOM 281 O ILE A 44 8.233 -15.915 -1.017 1.00 14.15 O ATOM 282 CB ILE A 44 6.781 -12.954 -0.781 1.00 13.13 C ATOM 283 CG1 ILE A 44 5.379 -12.372 -0.546 1.00 15.37 C ATOM 284 CG2 ILE A 44 6.971 -13.327 -2.255 1.00 14.23 C ATOM 285 CD1 ILE A 44 4.240 -13.365 -0.720 1.00 13.20 C ATOM 286 N ILE A 45 9.423 -14.391 0.121 1.00 15.53 N ATOM 287 CA ILE A 45 10.693 -14.993 -0.243 1.00 13.55 C ATOM 288 C ILE A 45 10.800 -16.424 0.267 1.00 13.14 C ATOM 289 O ILE A 45 11.498 -17.251 -0.322 1.00 10.96 O ATOM 290 CB ILE A 45 11.868 -14.125 0.263 1.00 14.96 C ATOM 291 CG1 ILE A 45 11.964 -12.873 -0.614 1.00 11.62 C ATOM 292 CG2 ILE A 45 13.184 -14.918 0.241 1.00 12.65 C ATOM 293 CD1 ILE A 45 13.053 -11.907 -0.207 1.00 14.67 C ATOM 294 N ALA A 46 10.102 -16.724 1.354 1.00 12.96 N ATOM 295 CA ALA A 46 10.119 -18.080 1.893 1.00 15.50 C ATOM 296 C ALA A 46 9.293 -18.986 0.975 1.00 15.58 C ATOM 297 O ALA A 46 9.265 -20.200 1.145 1.00 15.95 O ATOM 298 CB ALA A 46 9.549 -18.098 3.311 1.00 15.53 C ATOM 299 N GLN A 47 8.633 -18.381 -0.007 1.00 16.56 N ATOM 300 CA GLN A 47 7.818 -19.123 -0.958 1.00 17.93 C ATOM 301 C GLN A 47 8.631 -19.590 -2.163 1.00 17.15 C ATOM 302 O GLN A 47 8.181 -20.445 -2.921 1.00 15.38 O ATOM 303 CB GLN A 47 6.634 -18.269 -1.422 1.00 20.62 C ATOM 304 CG GLN A 47 5.519 -18.133 -0.391 1.00 25.50 C ATOM 305 CD GLN A 47 4.486 -17.092 -0.787 1.00 29.23 C ATOM 306 OE1 GLN A 47 4.386 -16.716 -1.952 1.00 32.66 O ATOM 307 NE2 GLN A 47 3.708 -16.629 0.183 1.00 32.63 N ATOM 308 N VAL A 48 9.824 -19.032 -2.349 1.00 15.38 N ATOM 309 CA VAL A 48 10.659 -19.465 -3.461 1.00 14.83 C ATOM 310 C VAL A 48 11.656 -20.496 -2.941 1.00 13.43 C ATOM 311 O VAL A 48 11.940 -20.550 -1.742 1.00 13.27 O ATOM 312 CB VAL A 48 11.418 -18.282 -4.127 1.00 15.89 C ATOM 313 CG1 VAL A 48 10.422 -17.242 -4.608 1.00 14.17 C ATOM 314 CG2 VAL A 48 12.421 -17.678 -3.170 1.00 11.62 C ATOM 315 N PRO A 49 12.185 -21.341 -3.834 1.00 11.18 N ATOM 316 CA PRO A 49 13.148 -22.363 -3.417 1.00 10.79 C ATOM 317 C PRO A 49 14.281 -21.807 -2.561 1.00 12.52 C ATOM 318 O PRO A 49 14.771 -20.695 -2.787 1.00 13.94 O ATOM 319 CB PRO A 49 13.648 -22.926 -4.741 1.00 11.07 C ATOM 320 CG PRO A 49 12.444 -22.799 -5.632 1.00 10.65 C ATOM 321 CD PRO A 49 11.925 -21.415 -5.282 1.00 10.68 C ATOM 322 N GLU A 50 14.701 -22.593 -1.581 1.00 10.68 N ATOM 323 CA GLU A 50 15.770 -22.190 -0.688 1.00 12.30 C ATOM 324 C GLU A 50 17.045 -21.852 -1.465 1.00 12.09 C ATOM 325 O GLU A 50 17.820 -20.982 -1.064 1.00 11.07 O ATOM 326 CB GLU A 50 16.035 -23.315 0.307 1.00 14.38 C ATOM 327 CG GLU A 50 17.086 -23.016 1.347 1.00 18.16 C ATOM 328 CD GLU A 50 17.455 -24.253 2.130 1.00 20.90 C ATOM 329 OE1 GLU A 50 17.757 -25.280 1.487 1.00 23.10 O ATOM 330 OE2 GLU A 50 17.447 -24.205 3.376 1.00 25.34 O ATOM 331 N SER A 51 17.248 -22.525 -2.591 1.00 12.45 N ATOM 332 CA SER A 51 18.441 -22.301 -3.408 1.00 13.07 C ATOM 333 C SER A 51 18.431 -20.982 -4.174 1.00 13.29 C ATOM 334 O SER A 51 19.414 -20.643 -4.830 1.00 12.61 O ATOM 335 CB SER A 51 18.606 -23.437 -4.413 1.00 10.99 C ATOM 336 OG SER A 51 17.534 -23.432 -5.337 1.00 11.92 O ATOM 337 N LYS A 52 17.326 -20.243 -4.096 1.00 14.28 N ATOM 338 CA LYS A 52 17.203 -18.976 -4.815 1.00 14.53 C ATOM 339 C LYS A 52 16.933 -17.790 -3.901 1.00 14.51 C ATOM 340 O LYS A 52 16.873 -16.643 -4.361 1.00 14.07 O ATOM 341 CB LYS A 52 16.053 -19.048 -5.823 1.00 16.03 C ATOM 342 CG LYS A 52 16.205 -20.055 -6.953 1.00 18.51 C ATOM 343 CD LYS A 52 15.015 -19.921 -7.906 1.00 20.54 C ATOM 344 CE LYS A 52 15.051 -20.937 -9.037 1.00 24.35 C ATOM 345 NZ LYS A 52 13.841 -20.810 -9.900 1.00 24.14 N ATOM 346 N ARG A 53 16.762 -18.065 -2.612 1.00 13.72 N ATOM 347 CA ARG A 53 16.442 -17.026 -1.648 1.00 13.49 C ATOM 348 C ARG A 53 17.486 -15.940 -1.418 1.00 12.58 C ATOM 349 O ARG A 53 17.135 -14.768 -1.306 1.00 10.83 O ATOM 350 CB ARG A 53 16.038 -17.673 -0.319 1.00 14.76 C ATOM 351 CG ARG A 53 14.748 -18.469 -0.450 1.00 16.37 C ATOM 352 CD ARG A 53 14.301 -19.100 0.849 1.00 17.03 C ATOM 353 NE ARG A 53 13.229 -20.061 0.600 1.00 17.21 N ATOM 354 CZ ARG A 53 12.887 -21.032 1.438 1.00 17.10 C ATOM 355 NH1 ARG A 53 13.531 -21.174 2.589 1.00 17.56 N ATOM 356 NH2 ARG A 53 11.915 -21.873 1.115 1.00 15.38 N ATOM 357 N VAL A 54 18.762 -16.305 -1.343 1.00 12.70 N ATOM 358 CA VAL A 54 19.782 -15.283 -1.125 1.00 12.23 C ATOM 359 C VAL A 54 19.873 -14.374 -2.343 1.00 10.39 C ATOM 360 O VAL A 54 19.933 -13.152 -2.217 1.00 10.46 O ATOM 361 CB VAL A 54 21.170 -15.895 -0.846 1.00 11.49 C ATOM 362 CG1 VAL A 54 22.232 -14.800 -0.838 1.00 12.38 C ATOM 363 CG2 VAL A 54 21.162 -16.596 0.496 1.00 11.95 C ATOM 364 N ALA A 55 19.862 -14.978 -3.523 1.00 9.37 N ATOM 365 CA ALA A 55 19.955 -14.219 -4.758 1.00 9.60 C ATOM 366 C ALA A 55 18.754 -13.300 -4.904 1.00 10.09 C ATOM 367 O ALA A 55 18.902 -12.108 -5.188 1.00 12.85 O ATOM 368 CB ALA A 55 20.042 -15.165 -5.944 1.00 6.54 C ATOM 369 N VAL A 56 17.565 -13.853 -4.703 1.00 8.45 N ATOM 370 CA VAL A 56 16.346 -13.073 -4.820 1.00 8.95 C ATOM 371 C VAL A 56 16.344 -11.895 -3.856 1.00 9.52 C ATOM 372 O VAL A 56 16.054 -10.771 -4.256 1.00 9.53 O ATOM 373 CB VAL A 56 15.095 -13.956 -4.578 1.00 10.17 C ATOM 374 CG1 VAL A 56 13.855 -13.089 -4.381 1.00 10.37 C ATOM 375 CG2 VAL A 56 14.880 -14.878 -5.775 1.00 10.54 C ATOM 376 N VAL A 57 16.674 -12.139 -2.591 1.00 10.22 N ATOM 377 CA VAL A 57 16.687 -11.055 -1.619 1.00 11.20 C ATOM 378 C VAL A 57 17.718 -9.999 -2.018 1.00 10.98 C ATOM 379 O VAL A 57 17.457 -8.801 -1.899 1.00 9.97 O ATOM 380 CB VAL A 57 16.981 -11.575 -0.178 1.00 11.46 C ATOM 381 CG1 VAL A 57 18.405 -12.091 -0.073 1.00 13.85 C ATOM 382 CG2 VAL A 57 16.742 -10.472 0.832 1.00 13.29 C ATOM 383 N ASP A 58 18.878 -10.440 -2.508 1.00 12.74 N ATOM 384 CA ASP A 58 19.923 -9.507 -2.929 1.00 13.35 C ATOM 385 C ASP A 58 19.470 -8.634 -4.106 1.00 13.74 C ATOM 386 O ASP A 58 19.760 -7.445 -4.142 1.00 13.11 O ATOM 387 CB ASP A 58 21.203 -10.258 -3.317 1.00 14.42 C ATOM 388 CG ASP A 58 21.947 -10.827 -2.116 1.00 15.37 C ATOM 389 OD1 ASP A 58 21.515 -10.615 -0.962 1.00 17.23 O ATOM 390 OD2 ASP A 58 22.976 -11.495 -2.336 1.00 18.62 O ATOM 391 N ASN A 59 18.769 -9.221 -5.073 1.00 14.92 N ATOM 392 CA ASN A 59 18.289 -8.448 -6.221 1.00 15.60 C ATOM 393 C ASN A 59 17.228 -7.477 -5.757 1.00 14.87 C ATOM 394 O ASN A 59 17.169 -6.335 -6.205 1.00 15.22 O ATOM 395 CB ASN A 59 17.645 -9.346 -7.270 1.00 17.12 C ATOM 396 CG ASN A 59 18.594 -10.372 -7.823 1.00 20.80 C ATOM 397 OD1 ASN A 59 18.171 -11.459 -8.212 1.00 22.12 O ATOM 398 ND2 ASN A 59 19.880 -10.039 -7.879 1.00 19.92 N ATOM 399 N PHE A 60 16.369 -7.959 -4.868 1.00 15.31 N ATOM 400 CA PHE A 60 15.287 -7.151 -4.340 1.00 15.09 C ATOM 401 C PHE A 60 15.833 -5.929 -3.627 1.00 14.47 C ATOM 402 O PHE A 60 15.377 -4.815 -3.851 1.00 15.35 O ATOM 403 CB PHE A 60 14.439 -7.970 -3.361 1.00 15.18 C ATOM 404 CG PHE A 60 13.279 -7.206 -2.780 1.00 15.21 C ATOM 405 CD1 PHE A 60 12.100 -7.054 -3.497 1.00 13.58 C ATOM 406 CD2 PHE A 60 13.370 -6.629 -1.517 1.00 15.07 C ATOM 407 CE1 PHE A 60 11.029 -6.335 -2.968 1.00 15.07 C ATOM 408 CE2 PHE A 60 12.302 -5.905 -0.981 1.00 14.04 C ATOM 409 CZ PHE A 60 11.130 -5.763 -1.709 1.00 11.56 C ATOM 410 N THR A 61 16.817 -6.142 -2.764 1.00 16.56 N ATOM 411 CA THR A 61 17.393 -5.044 -2.006 1.00 16.16 C ATOM 412 C THR A 61 18.192 -4.080 -2.875 1.00 16.67 C ATOM 413 O THR A 61 18.109 -2.861 -2.696 1.00 15.75 O ATOM 414 CB THR A 61 18.283 -5.570 -0.856 1.00 15.96 C ATOM 415 OG1 THR A 61 19.184 -6.563 -1.354 1.00 17.96 O ATOM 416 CG2 THR A 61 17.425 -6.184 0.233 1.00 16.17 C ATOM 417 N LYS A 62 18.954 -4.621 -3.820 1.00 15.65 N ATOM 418 CA LYS A 62 19.762 -3.786 -4.699 1.00 16.84 C ATOM 419 C LYS A 62 18.841 -2.836 -5.462 1.00 15.96 C ATOM 420 O LYS A 62 19.031 -1.621 -5.440 1.00 15.81 O ATOM 421 CB LYS A 62 20.563 -4.661 -5.668 1.00 20.00 C ATOM 422 CG LYS A 62 21.641 -3.919 -6.444 1.00 25.40 C ATOM 423 CD LYS A 62 22.523 -4.886 -7.220 1.00 28.80 C ATOM 424 CE LYS A 62 23.599 -4.148 -8.006 1.00 31.85 C ATOM 425 NZ LYS A 62 24.418 -5.072 -8.844 1.00 32.38 N ATOM 426 N ALA A 63 17.832 -3.398 -6.118 1.00 14.68 N ATOM 427 CA ALA A 63 16.871 -2.608 -6.873 1.00 14.76 C ATOM 428 C ALA A 63 16.197 -1.587 -5.954 1.00 15.23 C ATOM 429 O ALA A 63 16.028 -0.421 -6.319 1.00 14.60 O ATOM 430 CB ALA A 63 15.820 -3.526 -7.495 1.00 15.67 C ATOM 431 N LEU A 64 15.821 -2.032 -4.760 1.00 14.14 N ATOM 432 CA LEU A 64 15.168 -1.167 -3.785 1.00 14.56 C ATOM 433 C LEU A 64 16.032 0.057 -3.472 1.00 15.68 C ATOM 434 O LEU A 64 15.566 1.201 -3.541 1.00 14.65 O ATOM 435 CB LEU A 64 14.912 -1.945 -2.495 1.00 17.69 C ATOM 436 CG LEU A 64 13.795 -1.449 -1.576 1.00 19.89 C ATOM 437 CD1 LEU A 64 13.839 -2.233 -0.276 1.00 17.99 C ATOM 438 CD2 LEU A 64 13.941 0.032 -1.310 1.00 21.45 C ATOM 439 N LYS A 65 17.292 -0.189 -3.122 1.00 14.87 N ATOM 440 CA LYS A 65 18.213 0.889 -2.791 1.00 16.95 C ATOM 441 C LYS A 65 18.361 1.842 -3.968 1.00 18.16 C ATOM 442 O LYS A 65 18.270 3.063 -3.812 1.00 20.18 O ATOM 443 CB LYS A 65 19.579 0.317 -2.403 1.00 18.53 C ATOM 444 N GLN A 66 18.581 1.277 -5.147 1.00 17.48 N ATOM 445 CA GLN A 66 18.747 2.075 -6.348 1.00 18.20 C ATOM 446 C GLN A 66 17.552 3.001 -6.551 1.00 18.95 C ATOM 447 O GLN A 66 17.715 4.190 -6.810 1.00 18.56 O ATOM 448 CB GLN A 66 18.920 1.156 -7.560 1.00 18.84 C ATOM 449 N SER A 67 16.349 2.451 -6.430 1.00 20.57 N ATOM 450 CA SER A 67 15.134 3.234 -6.608 1.00 20.71 C ATOM 451 C SER A 67 15.021 4.318 -5.542 1.00 20.31 C ATOM 452 O SER A 67 14.578 5.428 -5.816 1.00 22.40 O ATOM 453 CB SER A 67 13.919 2.326 -6.556 1.00 19.80 C ATOM 454 N VAL A 68 15.426 3.990 -4.323 1.00 20.88 N ATOM 455 CA VAL A 68 15.360 4.937 -3.221 1.00 20.18 C ATOM 456 C VAL A 68 16.311 6.118 -3.405 1.00 20.70 C ATOM 457 O VAL A 68 15.957 7.249 -3.080 1.00 21.55 O ATOM 458 CB VAL A 68 15.642 4.229 -1.870 1.00 20.36 C ATOM 459 CG1 VAL A 68 15.987 5.246 -0.793 1.00 19.28 C ATOM 460 CG2 VAL A 68 14.408 3.436 -1.445 1.00 20.17 C ATOM 461 N LEU A 69 17.508 5.862 -3.927 1.00 20.12 N ATOM 462 CA LEU A 69 18.486 6.926 -4.149 1.00 23.21 C ATOM 463 C LEU A 69 18.009 7.853 -5.261 1.00 24.80 C ATOM 464 O LEU A 69 18.175 9.072 -5.201 1.00 22.94 O ATOM 465 CB LEU A 69 19.841 6.335 -4.552 1.00 24.92 C ATOM 466 CG LEU A 69 20.595 5.467 -3.540 1.00 26.12 C ATOM 467 CD1 LEU A 69 21.862 4.912 -4.183 1.00 24.59 C ATOM 468 CD2 LEU A 69 20.934 6.297 -2.310 1.00 26.43 C ATOM 469 N GLU A 70 17.404 7.246 -6.273 1.00 27.90 N ATOM 470 CA GLU A 70 16.907 7.947 -7.446 1.00 30.20 C ATOM 471 C GLU A 70 15.679 8.829 -7.225 1.00 31.08 C ATOM 472 O GLU A 70 15.419 9.738 -8.014 1.00 30.09 O ATOM 473 CB GLU A 70 16.634 6.915 -8.545 1.00 31.57 C ATOM 474 CG GLU A 70 15.536 7.274 -9.521 1.00 34.39 C ATOM 475 CD GLU A 70 15.219 6.133 -10.466 1.00 36.61 C ATOM 476 OE1 GLU A 70 15.423 4.962 -10.072 1.00 37.20 O ATOM 477 OE2 GLU A 70 14.755 6.404 -11.594 1.00 37.42 O ATOM 478 N HIS A 71 14.933 8.576 -6.154 1.00 32.86 N ATOM 479 CA HIS A 71 13.735 9.359 -5.877 1.00 33.45 C ATOM 480 C HIS A 71 13.904 10.421 -4.800 1.00 34.75 C ATOM 481 O HIS A 71 12.992 10.677 -4.011 1.00 36.62 O ATOM 482 CB HIS A 71 12.579 8.423 -5.527 1.00 34.01 C ATOM 483 CG HIS A 71 12.070 7.649 -6.701 1.00 35.30 C ATOM 484 ND1 HIS A 71 11.355 8.235 -7.723 1.00 35.78 N ATOM 485 CD2 HIS A 71 12.216 6.345 -7.043 1.00 34.57 C ATOM 486 CE1 HIS A 71 11.082 7.328 -8.645 1.00 36.38 C ATOM 487 NE2 HIS A 71 11.595 6.173 -8.255 1.00 36.08 N ATOM 488 N HIS A 72 15.078 11.037 -4.778 1.00 35.30 N ATOM 489 CA HIS A 72 15.372 12.101 -3.829 1.00 35.74 C ATOM 490 C HIS A 72 15.246 13.394 -4.625 1.00 35.47 C ATOM 491 O HIS A 72 15.955 13.594 -5.610 1.00 36.14 O ATOM 492 CB HIS A 72 16.792 11.946 -3.271 1.00 34.21 C ATOM 493 N HIS A 73 14.333 14.259 -4.200 1.00 35.42 N ATOM 494 CA HIS A 73 14.090 15.520 -4.882 1.00 34.90 C ATOM 495 C HIS A 73 15.109 16.587 -4.496 1.00 36.84 C ATOM 496 O HIS A 73 15.846 17.037 -5.399 1.00 38.08 O ATOM 497 CB HIS A 73 12.671 15.990 -4.560 1.00 32.90 C ATOM 498 CG HIS A 73 11.622 14.960 -4.833 1.00 31.06 C ATOM 499 ND1 HIS A 73 10.334 15.056 -4.358 1.00 31.57 N ATOM 500 CD2 HIS A 73 11.672 13.802 -5.543 1.00 29.82 C ATOM 501 CE1 HIS A 73 9.633 14.009 -4.760 1.00 28.65 C ATOM 502 NE2 HIS A 73 10.427 13.235 -5.481 1.00 29.53 N TER 504 HIS A 73 ATOM 504 N ASN B 9 2.745 -4.495 19.372 1.00 29.22 N ATOM 505 CA ASN B 9 1.369 -5.118 19.220 1.00 29.44 C ATOM 506 C ASN B 9 1.584 -6.491 18.547 1.00 30.11 C ATOM 507 O ASN B 9 2.549 -7.185 18.854 1.00 32.07 O ATOM 508 CB ASN B 9 0.654 -4.239 18.112 1.00 28.07 C ATOM 509 N GLU B 10 0.403 -6.859 18.021 1.00 29.67 N ATOM 510 CA GLU B 10 0.467 -7.590 16.756 1.00 27.53 C ATOM 511 C GLU B 10 -0.695 -7.025 15.841 1.00 28.12 C ATOM 512 O GLU B 10 -1.268 -7.770 15.057 1.00 29.09 O ATOM 513 CB GLU B 10 0.662 -8.983 16.638 1.00 29.28 C ATOM 514 N ARG B 11 -1.110 -5.791 16.198 1.00 26.60 N ATOM 515 CA ARG B 11 -1.802 -4.935 15.203 1.00 23.83 C ATOM 516 C ARG B 11 -0.814 -4.983 13.958 1.00 21.26 C ATOM 517 O ARG B 11 -1.248 -4.782 12.827 1.00 20.42 O ATOM 518 CB ARG B 11 -1.820 -3.500 15.732 1.00 24.17 C ATOM 519 CG ARG B 11 -2.207 -2.460 14.687 1.00 26.61 C ATOM 520 CD ARG B 11 -1.953 -1.029 15.136 1.00 28.20 C ATOM 521 NE ARG B 11 -2.295 -0.069 14.088 1.00 30.40 N ATOM 522 CZ ARG B 11 -1.984 1.224 14.129 1.00 31.10 C ATOM 523 NH1 ARG B 11 -1.322 1.715 15.166 1.00 30.89 N ATOM 524 NH2 ARG B 11 -2.332 2.023 13.132 1.00 31.21 N ATOM 525 N VAL B 12 0.482 -5.203 14.208 1.00 19.69 N ATOM 526 CA VAL B 12 1.434 -5.438 13.122 1.00 20.33 C ATOM 527 C VAL B 12 1.006 -6.730 12.382 1.00 18.94 C ATOM 528 O VAL B 12 0.869 -6.728 11.160 1.00 16.75 O ATOM 529 CB VAL B 12 2.860 -5.677 13.675 1.00 21.60 C ATOM 530 CG1 VAL B 12 3.810 -6.042 12.543 1.00 22.93 C ATOM 531 CG2 VAL B 12 3.332 -4.419 14.391 1.00 23.88 C ATOM 532 N GLU B 13 0.793 -7.817 13.129 1.00 19.80 N ATOM 533 CA GLU B 13 0.401 -9.088 12.535 1.00 20.19 C ATOM 534 C GLU B 13 -0.844 -8.936 11.667 1.00 19.65 C ATOM 535 O GLU B 13 -0.914 -9.483 10.563 1.00 18.33 O ATOM 536 CB GLU B 13 0.155 -10.132 13.624 1.00 22.84 C ATOM 537 CG GLU B 13 1.410 -10.550 14.380 1.00 30.32 C ATOM 538 CD GLU B 13 2.511 -11.036 13.468 1.00 34.80 C ATOM 539 OE1 GLU B 13 2.211 -11.824 12.545 1.00 37.30 O ATOM 540 OE2 GLU B 13 3.680 -10.640 13.673 1.00 37.83 O ATOM 541 N LYS B 14 -1.822 -8.193 12.171 1.00 17.01 N ATOM 542 CA LYS B 14 -3.053 -7.957 11.436 1.00 15.41 C ATOM 543 C LYS B 14 -2.741 -7.218 10.138 1.00 14.94 C ATOM 544 O LYS B 14 -3.249 -7.568 9.077 1.00 14.87 O ATOM 545 CB LYS B 14 -4.023 -7.143 12.289 1.00 15.67 C ATOM 546 N ILE B 15 -1.906 -6.189 10.227 1.00 14.18 N ATOM 547 CA ILE B 15 -1.537 -5.424 9.043 1.00 13.07 C ATOM 548 C ILE B 15 -0.769 -6.294 8.052 1.00 12.62 C ATOM 549 O ILE B 15 -1.057 -6.294 6.855 1.00 9.51 O ATOM 550 CB ILE B 15 -0.672 -4.210 9.419 1.00 11.99 C ATOM 551 CG1 ILE B 15 -1.497 -3.238 10.265 1.00 10.42 C ATOM 552 CG2 ILE B 15 -0.152 -3.526 8.154 1.00 13.43 C ATOM 553 CD1 ILE B 15 -0.687 -2.120 10.892 1.00 9.70 C ATOM 554 N ILE B 16 0.215 -7.032 8.554 1.00 12.79 N ATOM 555 CA ILE B 16 1.011 -7.905 7.703 1.00 13.56 C ATOM 556 C ILE B 16 0.092 -8.844 6.927 1.00 14.98 C ATOM 557 O ILE B 16 0.229 -8.995 5.712 1.00 15.17 O ATOM 558 CB ILE B 16 1.998 -8.749 8.541 1.00 14.85 C ATOM 559 CG1 ILE B 16 3.029 -7.839 9.197 1.00 13.88 C ATOM 560 CG2 ILE B 16 2.698 -9.776 7.664 1.00 14.14 C ATOM 561 CD1 ILE B 16 3.858 -8.536 10.237 1.00 16.75 C ATOM 562 N GLN B 17 -0.849 -9.465 7.632 1.00 15.10 N ATOM 563 CA GLN B 17 -1.776 -10.395 7.002 1.00 16.76 C ATOM 564 C GLN B 17 -2.665 -9.721 5.958 1.00 15.96 C ATOM 565 O GLN B 17 -2.960 -10.308 4.914 1.00 13.55 O ATOM 566 CB GLN B 17 -2.635 -11.087 8.065 1.00 20.33 C ATOM 567 CG GLN B 17 -3.390 -12.292 7.529 1.00 23.77 C ATOM 568 CD GLN B 17 -2.497 -13.210 6.708 1.00 27.48 C ATOM 569 OE1 GLN B 17 -2.679 -13.352 5.495 1.00 29.26 O ATOM 570 NE2 GLN B 17 -1.520 -13.831 7.364 1.00 27.05 N ATOM 571 N ASP B 18 -3.091 -8.492 6.241 1.00 15.17 N ATOM 572 CA ASP B 18 -3.918 -7.744 5.303 1.00 15.16 C ATOM 573 C ASP B 18 -3.147 -7.467 4.017 1.00 12.56 C ATOM 574 O ASP B 18 -3.728 -7.405 2.932 1.00 9.87 O ATOM 575 CB ASP B 18 -4.374 -6.417 5.913 1.00 17.95 C ATOM 576 CG ASP B 18 -5.600 -6.570 6.796 1.00 21.53 C ATOM 577 OD1 ASP B 18 -6.152 -7.692 6.852 1.00 22.53 O ATOM 578 OD2 ASP B 18 -6.011 -5.568 7.426 1.00 18.73 O ATOM 579 N LEU B 19 -1.836 -7.291 4.151 1.00 10.72 N ATOM 580 CA LEU B 19 -0.984 -7.040 3.001 1.00 9.16 C ATOM 581 C LEU B 19 -0.862 -8.304 2.156 1.00 8.70 C ATOM 582 O LEU B 19 -0.957 -8.253 0.933 1.00 8.58 O ATOM 583 CB LEU B 19 0.404 -6.586 3.454 1.00 8.92 C ATOM 584 CG LEU B 19 0.499 -5.216 4.132 1.00 8.74 C ATOM 585 CD1 LEU B 19 1.939 -4.968 4.550 1.00 3.78 C ATOM 586 CD2 LEU B 19 0.009 -4.125 3.178 1.00 7.20 C ATOM 587 N LEU B 20 -0.658 -9.439 2.814 1.00 10.23 N ATOM 588 CA LEU B 20 -0.528 -10.711 2.111 1.00 11.34 C ATOM 589 C LEU B 20 -1.852 -11.160 1.491 1.00 12.04 C ATOM 590 O LEU B 20 -1.852 -11.828 0.460 1.00 12.15 O ATOM 591 CB LEU B 20 -0.003 -11.787 3.065 1.00 10.14 C ATOM 592 CG LEU B 20 1.417 -11.545 3.578 1.00 10.49 C ATOM 593 CD1 LEU B 20 1.713 -12.493 4.734 1.00 7.91 C ATOM 594 CD2 LEU B 20 2.419 -11.721 2.440 1.00 7.83 C ATOM 595 N ASP B 21 -2.972 -10.796 2.120 1.00 12.97 N ATOM 596 CA ASP B 21 -4.293 -11.150 1.598 1.00 11.81 C ATOM 597 C ASP B 21 -4.505 -10.494 0.236 1.00 12.28 C ATOM 598 O ASP B 21 -5.145 -11.068 -0.649 1.00 13.04 O ATOM 599 CB ASP B 21 -5.416 -10.696 2.544 1.00 13.62 C ATOM 600 CG ASP B 21 -5.480 -11.517 3.823 1.00 14.42 C ATOM 601 OD1 ASP B 21 -5.035 -12.679 3.822 1.00 18.77 O ATOM 602 OD2 ASP B 21 -5.994 -11.007 4.836 1.00 17.50 O ATOM 603 N VAL B 22 -3.977 -9.286 0.069 1.00 11.74 N ATOM 604 CA VAL B 22 -4.112 -8.587 -1.205 1.00 12.17 C ATOM 605 C VAL B 22 -3.425 -9.408 -2.302 1.00 11.57 C ATOM 606 O VAL B 22 -3.994 -9.649 -3.363 1.00 12.07 O ATOM 607 CB VAL B 22 -3.474 -7.171 -1.150 1.00 12.89 C ATOM 608 CG1 VAL B 22 -3.508 -6.525 -2.535 1.00 9.78 C ATOM 609 CG2 VAL B 22 -4.223 -6.302 -0.149 1.00 11.34 C ATOM 610 N LEU B 23 -2.207 -9.849 -2.029 1.00 10.67 N ATOM 611 CA LEU B 23 -1.451 -10.637 -2.993 1.00 13.32 C ATOM 612 C LEU B 23 -2.117 -11.989 -3.279 1.00 14.09 C ATOM 613 O LEU B 23 -2.189 -12.425 -4.429 1.00 12.75 O ATOM 614 CB LEU B 23 -0.025 -10.843 -2.477 1.00 12.81 C ATOM 615 CG LEU B 23 0.705 -9.541 -2.135 1.00 13.28 C ATOM 616 CD1 LEU B 23 2.093 -9.864 -1.582 1.00 13.84 C ATOM 617 CD2 LEU B 23 0.803 -8.655 -3.379 1.00 10.95 C ATOM 618 N VAL B 24 -2.596 -12.657 -2.236 1.00 15.15 N ATOM 619 CA VAL B 24 -3.267 -13.937 -2.427 1.00 16.98 C ATOM 620 C VAL B 24 -4.496 -13.713 -3.306 1.00 17.28 C ATOM 621 O VAL B 24 -4.732 -14.429 -4.280 1.00 17.95 O ATOM 622 CB VAL B 24 -3.718 -14.544 -1.078 1.00 16.56 C ATOM 623 CG1 VAL B 24 -4.671 -15.714 -1.321 1.00 17.28 C ATOM 624 CG2 VAL B 24 -2.505 -15.021 -0.299 1.00 14.04 C ATOM 625 N LYS B 25 -5.267 -12.699 -2.944 1.00 18.46 N ATOM 626 CA LYS B 25 -6.474 -12.341 -3.663 1.00 18.69 C ATOM 627 C LYS B 25 -6.205 -12.169 -5.154 1.00 19.00 C ATOM 628 O LYS B 25 -6.947 -12.690 -5.987 1.00 18.14 O ATOM 629 CB LYS B 25 -7.036 -11.047 -3.085 1.00 21.89 C ATOM 630 CG LYS B 25 -8.478 -10.781 -3.433 1.00 24.25 C ATOM 631 CD LYS B 25 -8.971 -9.551 -2.694 1.00 27.50 C ATOM 632 CE LYS B 25 -10.463 -9.379 -2.877 1.00 30.07 C ATOM 633 NZ LYS B 25 -10.821 -9.397 -4.321 1.00 30.11 N ATOM 634 N GLU B 26 -5.148 -11.434 -5.493 1.00 18.76 N ATOM 635 CA GLU B 26 -4.805 -11.218 -6.890 1.00 20.45 C ATOM 636 C GLU B 26 -4.139 -12.445 -7.499 1.00 21.45 C ATOM 637 O GLU B 26 -3.731 -12.423 -8.659 1.00 21.57 O ATOM 638 CB GLU B 26 -3.879 -10.002 -7.035 1.00 22.85 C ATOM 639 CG GLU B 26 -4.586 -8.669 -6.848 1.00 24.03 C ATOM 640 CD GLU B 26 -5.826 -8.559 -7.715 1.00 27.04 C ATOM 641 OE1 GLU B 26 -5.695 -8.672 -8.954 1.00 27.39 O ATOM 642 OE2 GLU B 26 -6.931 -8.367 -7.157 1.00 28.72 O ATOM 643 N GLU B 27 -4.041 -13.516 -6.717 1.00 22.52 N ATOM 644 CA GLU B 27 -3.414 -14.752 -7.180 1.00 24.29 C ATOM 645 C GLU B 27 -2.056 -14.425 -7.777 1.00 23.46 C ATOM 646 O GLU B 27 -1.750 -14.841 -8.889 1.00 25.77 O ATOM 647 CB GLU B 27 -4.276 -15.426 -8.255 1.00 24.73 C ATOM 648 CG GLU B 27 -5.670 -15.779 -7.805 1.00 26.01 C ATOM 649 CD GLU B 27 -6.511 -16.393 -8.908 1.00 27.31 C ATOM 650 OE1 GLU B 27 -6.096 -17.432 -9.466 1.00 26.66 O ATOM 651 OE2 GLU B 27 -7.589 -15.839 -9.212 1.00 27.45 O ATOM 652 N VAL B 28 -1.234 -13.692 -7.038 1.00 24.41 N ATOM 653 CA VAL B 28 0.068 -13.301 -7.561 1.00 24.01 C ATOM 654 C VAL B 28 1.225 -14.280 -7.460 1.00 24.89 C ATOM 655 O VAL B 28 1.283 -15.155 -6.593 1.00 24.67 O ATOM 656 CB VAL B 28 0.548 -11.977 -6.944 1.00 23.74 C ATOM 657 CG1 VAL B 28 -0.458 -10.879 -7.238 1.00 24.18 C ATOM 658 CG2 VAL B 28 0.765 -12.144 -5.453 1.00 22.36 C ATOM 659 N THR B 29 2.154 -14.078 -8.386 1.00 26.06 N ATOM 660 CA THR B 29 3.383 -14.843 -8.524 1.00 25.83 C ATOM 661 C THR B 29 4.395 -14.250 -7.543 1.00 22.76 C ATOM 662 O THR B 29 4.366 -13.050 -7.265 1.00 20.06 O ATOM 663 CB THR B 29 3.945 -14.657 -9.945 1.00 27.90 C ATOM 664 OG1 THR B 29 2.886 -14.233 -10.818 1.00 32.34 O ATOM 665 CG2 THR B 29 4.531 -15.951 -10.466 1.00 28.74 C ATOM 666 N PRO B 30 5.304 -15.077 -7.006 1.00 21.68 N ATOM 667 CA PRO B 30 6.286 -14.527 -6.069 1.00 21.23 C ATOM 668 C PRO B 30 7.022 -13.315 -6.642 1.00 19.88 C ATOM 669 O PRO B 30 7.218 -12.316 -5.949 1.00 17.67 O ATOM 670 CB PRO B 30 7.209 -15.714 -5.817 1.00 21.65 C ATOM 671 CG PRO B 30 6.239 -16.863 -5.829 1.00 20.28 C ATOM 672 CD PRO B 30 5.398 -16.548 -7.059 1.00 21.03 C ATOM 673 N ASP B 31 7.415 -13.398 -7.911 1.00 19.61 N ATOM 674 CA ASP B 31 8.130 -12.299 -8.552 1.00 20.14 C ATOM 675 C ASP B 31 7.246 -11.068 -8.696 1.00 18.75 C ATOM 676 O ASP B 31 7.703 -9.945 -8.492 1.00 17.99 O ATOM 677 CB ASP B 31 8.674 -12.728 -9.924 1.00 25.73 C ATOM 678 CG ASP B 31 7.577 -12.981 -10.946 1.00 29.43 C ATOM 679 OD1 ASP B 31 6.578 -13.647 -10.608 1.00 33.09 O ATOM 680 OD2 ASP B 31 7.723 -12.525 -12.099 1.00 32.62 O ATOM 681 N LEU B 32 5.980 -11.274 -9.041 1.00 16.67 N ATOM 682 CA LEU B 32 5.051 -10.155 -9.178 1.00 16.29 C ATOM 683 C LEU B 32 4.835 -9.579 -7.773 1.00 14.54 C ATOM 684 O LEU B 32 4.773 -8.366 -7.584 1.00 13.64 O ATOM 685 CB LEU B 32 3.713 -10.634 -9.747 1.00 18.47 C ATOM 686 CG LEU B 32 2.876 -9.660 -10.587 1.00 20.69 C ATOM 687 CD1 LEU B 32 1.462 -10.201 -10.690 1.00 18.83 C ATOM 688 CD2 LEU B 32 2.860 -8.273 -9.971 1.00 20.42 C ATOM 689 N ALA B 33 4.727 -10.469 -6.792 1.00 13.02 N ATOM 690 CA ALA B 33 4.530 -10.067 -5.408 1.00 14.02 C ATOM 691 C ALA B 33 5.684 -9.167 -4.953 1.00 14.02 C ATOM 692 O ALA B 33 5.464 -8.082 -4.415 1.00 12.95 O ATOM 693 CB ALA B 33 4.437 -11.303 -4.519 1.00 10.60 C ATOM 694 N LEU B 34 6.913 -9.616 -5.186 1.00 12.99 N ATOM 695 CA LEU B 34 8.083 -8.846 -4.800 1.00 13.54 C ATOM 696 C LEU B 34 8.161 -7.521 -5.552 1.00 13.53 C ATOM 697 O LEU B 34 8.583 -6.505 -5.002 1.00 13.01 O ATOM 698 CB LEU B 34 9.353 -9.663 -5.052 1.00 13.22 C ATOM 699 CG LEU B 34 9.502 -10.937 -4.217 1.00 12.31 C ATOM 700 CD1 LEU B 34 10.745 -11.682 -4.658 1.00 12.53 C ATOM 701 CD2 LEU B 34 9.571 -10.590 -2.735 1.00 9.18 C HETATM 702 N MSE B 35 7.755 -7.530 -6.813 1.00 14.99 N HETATM 703 CA MSE B 35 7.788 -6.311 -7.605 1.00 16.28 C HETATM 704 C MSE B 35 6.810 -5.277 -7.045 1.00 12.44 C HETATM 705 O MSE B 35 7.081 -4.081 -7.061 1.00 10.68 O HETATM 706 CB MSE B 35 7.432 -6.619 -9.056 1.00 21.87 C HETATM 707 CG MSE B 35 7.715 -5.477 -10.008 1.00 32.29 C HETATM 708 SE MSE B 35 7.024 -5.808 -11.781 1.00 50.69 HETATM 709 CE MSE B 35 7.275 -7.723 -11.868 1.00 37.20 C ATOM 710 N CYS B 36 5.666 -5.738 -6.556 1.00 10.57 N ATOM 711 CA CYS B 36 4.665 -4.830 -6.005 1.00 10.41 C ATOM 712 C CYS B 36 5.042 -4.379 -4.590 1.00 8.87 C ATOM 713 O CYS B 36 4.891 -3.210 -4.240 1.00 7.54 O ATOM 714 CB CYS B 36 3.286 -5.509 -6.019 1.00 8.89 C ATOM 715 SG CYS B 36 2.591 -5.738 -7.707 1.00 12.49 S ATOM 716 N LEU B 37 5.544 -5.308 -3.785 1.00 8.43 N ATOM 717 CA LEU B 37 5.953 -4.984 -2.422 1.00 11.03 C ATOM 718 C LEU B 37 7.083 -3.958 -2.464 1.00 9.57 C ATOM 719 O LEU B 37 7.092 -3.002 -1.689 1.00 11.36 O ATOM 720 CB LEU B 37 6.422 -6.251 -1.693 1.00 10.41 C ATOM 721 CG LEU B 37 5.568 -6.900 -0.590 1.00 14.17 C ATOM 722 CD1 LEU B 37 4.168 -6.299 -0.538 1.00 13.98 C ATOM 723 CD2 LEU B 37 5.516 -8.417 -0.832 1.00 11.35 C ATOM 724 N GLY B 38 8.031 -4.164 -3.374 1.00 8.56 N ATOM 725 CA GLY B 38 9.150 -3.249 -3.506 1.00 10.29 C ATOM 726 C GLY B 38 8.694 -1.839 -3.833 1.00 12.71 C ATOM 727 O GLY B 38 9.170 -0.864 -3.246 1.00 13.23 O ATOM 728 N ASN B 39 7.775 -1.721 -4.784 1.00 14.27 N ATOM 729 CA ASN B 39 7.255 -0.414 -5.156 1.00 15.34 C ATOM 730 C ASN B 39 6.541 0.229 -3.979 1.00 13.32 C ATOM 731 O ASN B 39 6.633 1.438 -3.770 1.00 11.99 O ATOM 732 CB ASN B 39 6.301 -0.539 -6.340 1.00 18.66 C ATOM 733 CG ASN B 39 7.010 -0.376 -7.668 1.00 22.18 C ATOM 734 OD1 ASN B 39 7.476 0.716 -8.003 1.00 25.99 O ATOM 735 ND2 ASN B 39 7.108 -1.461 -8.426 1.00 23.94 N ATOM 736 N ALA B 40 5.834 -0.592 -3.208 1.00 13.08 N ATOM 737 CA ALA B 40 5.111 -0.111 -2.039 1.00 12.01 C ATOM 738 C ALA B 40 6.108 0.480 -1.050 1.00 11.06 C ATOM 739 O ALA B 40 5.904 1.567 -0.503 1.00 10.29 O ATOM 740 CB ALA B 40 4.351 -1.264 -1.389 1.00 11.99 C ATOM 741 N VAL B 41 7.196 -0.249 -0.838 1.00 11.57 N ATOM 742 CA VAL B 41 8.239 0.170 0.087 1.00 11.24 C ATOM 743 C VAL B 41 8.930 1.461 -0.351 1.00 12.58 C ATOM 744 O VAL B 41 9.174 2.341 0.470 1.00 10.24 O ATOM 745 CB VAL B 41 9.288 -0.952 0.255 1.00 9.92 C ATOM 746 CG1 VAL B 41 10.411 -0.501 1.181 1.00 8.33 C ATOM 747 CG2 VAL B 41 8.618 -2.186 0.806 1.00 5.95 C ATOM 748 N THR B 42 9.255 1.571 -1.638 1.00 13.96 N ATOM 749 CA THR B 42 9.906 2.776 -2.142 1.00 15.28 C ATOM 750 C THR B 42 8.993 3.974 -1.894 1.00 14.50 C ATOM 751 O THR B 42 9.450 5.069 -1.558 1.00 13.38 O ATOM 752 CB THR B 42 10.178 2.689 -3.660 1.00 16.21 C ATOM 753 OG1 THR B 42 8.938 2.526 -4.354 1.00 20.21 O ATOM 754 CG2 THR B 42 11.084 1.516 -3.976 1.00 18.69 C ATOM 755 N ASN B 43 7.697 3.753 -2.071 1.00 14.56 N ATOM 756 CA ASN B 43 6.697 4.787 -1.867 1.00 14.01 C ATOM 757 C ASN B 43 6.685 5.254 -0.412 1.00 13.46 C ATOM 758 O ASN B 43 6.475 6.430 -0.128 1.00 14.14 O ATOM 759 CB ASN B 43 5.313 4.243 -2.229 1.00 15.96 C ATOM 760 CG ASN B 43 4.208 5.270 -2.024 1.00 19.41 C ATOM 761 OD1 ASN B 43 3.827 5.987 -2.954 1.00 17.69 O ATOM 762 ND2 ASN B 43 3.699 5.353 -0.796 1.00 19.20 N ATOM 763 N ILE B 44 6.907 4.329 0.513 1.00 12.65 N ATOM 764 CA ILE B 44 6.896 4.676 1.925 1.00 12.30 C ATOM 765 C ILE B 44 8.160 5.439 2.295 1.00 12.82 C ATOM 766 O ILE B 44 8.110 6.458 2.980 1.00 13.68 O ATOM 767 CB ILE B 44 6.785 3.415 2.813 1.00 12.37 C ATOM 768 CG1 ILE B 44 5.497 2.652 2.487 1.00 13.25 C ATOM 769 CG2 ILE B 44 6.815 3.812 4.289 1.00 12.63 C ATOM 770 CD1 ILE B 44 4.208 3.408 2.787 1.00 9.92 C ATOM 771 N ILE B 45 9.296 4.944 1.829 1.00 11.79 N ATOM 772 CA ILE B 45 10.569 5.578 2.117 1.00 12.11 C ATOM 773 C ILE B 45 10.602 7.008 1.579 1.00 13.21 C ATOM 774 O ILE B 45 11.289 7.872 2.128 1.00 11.65 O ATOM 775 CB ILE B 45 11.719 4.721 1.543 1.00 11.72 C ATOM 776 CG1 ILE B 45 11.768 3.394 2.306 1.00 8.77 C ATOM 777 CG2 ILE B 45 13.046 5.460 1.642 1.00 12.60 C ATOM 778 CD1 ILE B 45 12.872 2.450 1.848 1.00 15.70 C ATOM 779 N ALA B 46 9.846 7.262 0.513 1.00 13.52 N ATOM 780 CA ALA B 46 9.775 8.605 -0.056 1.00 15.47 C ATOM 781 C ALA B 46 8.968 9.490 0.895 1.00 17.08 C ATOM 782 O ALA B 46 8.826 10.693 0.677 1.00 17.89 O ATOM 783 CB ALA B 46 9.103 8.565 -1.419 1.00 15.50 C ATOM 784 N GLN B 47 8.451 8.883 1.958 1.00 17.60 N ATOM 785 CA GLN B 47 7.652 9.602 2.938 1.00 19.09 C ATOM 786 C GLN B 47 8.458 9.965 4.169 1.00 18.25 C ATOM 787 O GLN B 47 7.923 10.516 5.126 1.00 17.88 O ATOM 788 CB GLN B 47 6.435 8.769 3.353 1.00 22.82 C ATOM 789 CG GLN B 47 5.372 8.628 2.274 1.00 26.61 C ATOM 790 CD GLN B 47 4.225 7.733 2.703 1.00 31.50 C ATOM 791 OE1 GLN B 47 4.174 7.268 3.843 1.00 35.11 O ATOM 792 NE2 GLN B 47 3.295 7.487 1.790 1.00 34.31 N ATOM 793 N VAL B 48 9.744 9.646 4.159 1.00 17.05 N ATOM 794 CA VAL B 48 10.581 9.987 5.294 1.00 16.40 C ATOM 795 C VAL B 48 11.608 11.003 4.824 1.00 14.70 C ATOM 796 O VAL B 48 11.899 11.096 3.634 1.00 14.67 O ATOM 797 CB VAL B 48 11.289 8.739 5.881 1.00 18.20 C ATOM 798 CG1 VAL B 48 10.251 7.671 6.211 1.00 16.91 C ATOM 799 CG2 VAL B 48 12.319 8.209 4.914 1.00 17.57 C ATOM 800 N PRO B 49 12.156 11.796 5.751 1.00 13.47 N ATOM 801 CA PRO B 49 13.157 12.808 5.410 1.00 13.44 C ATOM 802 C PRO B 49 14.304 12.226 4.594 1.00 14.88 C ATOM 803 O PRO B 49 14.787 11.130 4.883 1.00 15.06 O ATOM 804 CB PRO B 49 13.617 13.297 6.775 1.00 13.50 C ATOM 805 CG PRO B 49 12.382 13.206 7.575 1.00 10.64 C ATOM 806 CD PRO B 49 11.859 11.834 7.192 1.00 12.16 C ATOM 807 N GLU B 50 14.737 12.964 3.577 1.00 14.21 N ATOM 808 CA GLU B 50 15.828 12.515 2.723 1.00 15.64 C ATOM 809 C GLU B 50 17.096 12.209 3.509 1.00 14.32 C ATOM 810 O GLU B 50 17.861 11.316 3.150 1.00 14.73 O ATOM 811 CB GLU B 50 16.123 13.564 1.650 1.00 17.97 C ATOM 812 CG GLU B 50 15.199 13.475 0.447 1.00 23.94 C ATOM 813 CD GLU B 50 15.566 14.453 -0.650 1.00 24.78 C ATOM 814 OE1 GLU B 50 16.764 14.536 -0.997 1.00 24.58 O ATOM 815 OE2 GLU B 50 14.654 15.128 -1.172 1.00 28.40 O ATOM 816 N SER B 51 17.319 12.948 4.586 1.00 13.96 N ATOM 817 CA SER B 51 18.501 12.736 5.405 1.00 13.88 C ATOM 818 C SER B 51 18.461 11.391 6.128 1.00 12.91 C ATOM 819 O SER B 51 19.460 10.959 6.690 1.00 13.16 O ATOM 820 CB SER B 51 18.624 13.859 6.424 1.00 13.60 C ATOM 821 OG SER B 51 17.485 13.876 7.261 1.00 18.33 O ATOM 822 N LYS B 52 17.305 10.734 6.106 1.00 13.47 N ATOM 823 CA LYS B 52 17.133 9.448 6.772 1.00 13.85 C ATOM 824 C LYS B 52 16.912 8.270 5.812 1.00 12.89 C ATOM 825 O LYS B 52 16.978 7.108 6.227 1.00 14.31 O ATOM 826 CB LYS B 52 15.937 9.512 7.735 1.00 15.04 C ATOM 827 CG LYS B 52 16.140 10.334 9.010 1.00 18.42 C ATOM 828 CD LYS B 52 14.843 10.353 9.826 1.00 20.54 C ATOM 829 CE LYS B 52 15.033 10.913 11.230 1.00 24.80 C ATOM 830 NZ LYS B 52 15.603 12.291 11.246 1.00 25.99 N ATOM 831 N ARG B 53 16.653 8.559 4.540 1.00 11.18 N ATOM 832 CA ARG B 53 16.368 7.505 3.568 1.00 11.46 C ATOM 833 C ARG B 53 17.400 6.398 3.349 1.00 11.62 C ATOM 834 O ARG B 53 17.033 5.221 3.294 1.00 10.12 O ATOM 835 CB ARG B 53 15.962 8.133 2.235 1.00 12.18 C ATOM 836 CG ARG B 53 14.667 8.913 2.376 1.00 14.33 C ATOM 837 CD ARG B 53 14.123 9.439 1.074 1.00 14.35 C ATOM 838 NE ARG B 53 13.123 10.470 1.344 1.00 14.81 N ATOM 839 CZ ARG B 53 12.549 11.219 0.412 1.00 15.66 C ATOM 840 NH1 ARG B 53 12.871 11.052 -0.866 1.00 16.92 N ATOM 841 NH2 ARG B 53 11.667 12.146 0.760 1.00 11.86 N ATOM 842 N VAL B 54 18.676 6.743 3.219 1.00 10.24 N ATOM 843 CA VAL B 54 19.683 5.704 3.029 1.00 11.22 C ATOM 844 C VAL B 54 19.748 4.791 4.256 1.00 10.74 C ATOM 845 O VAL B 54 19.756 3.569 4.128 1.00 11.33 O ATOM 846 CB VAL B 54 21.080 6.308 2.753 1.00 10.82 C ATOM 847 CG1 VAL B 54 22.143 5.214 2.765 1.00 11.58 C ATOM 848 CG2 VAL B 54 21.077 6.991 1.405 1.00 10.56 C ATOM 849 N ALA B 55 19.781 5.384 5.445 1.00 12.15 N ATOM 850 CA ALA B 55 19.831 4.603 6.680 1.00 12.06 C ATOM 851 C ALA B 55 18.613 3.676 6.761 1.00 12.38 C ATOM 852 O ALA B 55 18.736 2.494 7.075 1.00 13.49 O ATOM 853 CB ALA B 55 19.873 5.538 7.895 1.00 8.58 C ATOM 854 N VAL B 56 17.436 4.221 6.474 1.00 12.28 N ATOM 855 CA VAL B 56 16.206 3.436 6.500 1.00 12.35 C ATOM 856 C VAL B 56 16.245 2.277 5.502 1.00 12.66 C ATOM 857 O VAL B 56 15.940 1.141 5.856 1.00 11.27 O ATOM 858 CB VAL B 56 14.975 4.327 6.193 1.00 13.91 C ATOM 859 CG1 VAL B 56 13.715 3.479 6.093 1.00 11.01 C ATOM 860 CG2 VAL B 56 14.814 5.377 7.285 1.00 12.27 C ATOM 861 N VAL B 57 16.618 2.547 4.255 1.00 13.45 N ATOM 862 CA VAL B 57 16.659 1.465 3.280 1.00 12.93 C ATOM 863 C VAL B 57 17.701 0.418 3.669 1.00 12.58 C ATOM 864 O VAL B 57 17.451 -0.779 3.539 1.00 12.50 O ATOM 865 CB VAL B 57 16.923 1.995 1.849 1.00 12.93 C ATOM 866 CG1 VAL B 57 18.352 2.502 1.716 1.00 14.29 C ATOM 867 CG2 VAL B 57 16.622 0.904 0.839 1.00 14.58 C ATOM 868 N ASP B 58 18.854 0.865 4.170 1.00 14.01 N ATOM 869 CA ASP B 58 19.920 -0.049 4.595 1.00 13.56 C ATOM 870 C ASP B 58 19.472 -0.967 5.738 1.00 15.33 C ATOM 871 O ASP B 58 19.763 -2.163 5.732 1.00 14.02 O ATOM 872 CB ASP B 58 21.156 0.734 5.060 1.00 15.07 C ATOM 873 CG ASP B 58 21.955 1.327 3.910 1.00 17.45 C ATOM 874 OD1 ASP B 58 21.525 1.227 2.741 1.00 19.00 O ATOM 875 OD2 ASP B 58 23.027 1.907 4.184 1.00 18.61 O ATOM 876 N ASN B 59 18.778 -0.407 6.728 1.00 15.47 N ATOM 877 CA ASN B 59 18.323 -1.208 7.864 1.00 15.89 C ATOM 878 C ASN B 59 17.242 -2.178 7.415 1.00 15.26 C ATOM 879 O ASN B 59 17.183 -3.330 7.856 1.00 13.06 O ATOM 880 CB ASN B 59 17.771 -0.315 8.982 1.00 17.61 C ATOM 881 CG ASN B 59 18.812 0.643 9.539 1.00 21.21 C ATOM 882 OD1 ASN B 59 20.001 0.327 9.594 1.00 23.27 O ATOM 883 ND2 ASN B 59 18.364 1.815 9.974 1.00 22.42 N ATOM 884 N PHE B 60 16.384 -1.694 6.528 1.00 14.36 N ATOM 885 CA PHE B 60 15.295 -2.491 6.001 1.00 13.32 C ATOM 886 C PHE B 60 15.834 -3.663 5.194 1.00 14.04 C ATOM 887 O PHE B 60 15.331 -4.783 5.297 1.00 14.07 O ATOM 888 CB PHE B 60 14.395 -1.608 5.136 1.00 11.95 C ATOM 889 CG PHE B 60 13.279 -2.344 4.452 1.00 12.48 C ATOM 890 CD1 PHE B 60 13.487 -2.968 3.218 1.00 10.36 C ATOM 891 CD2 PHE B 60 12.020 -2.406 5.028 1.00 8.02 C ATOM 892 CE1 PHE B 60 12.453 -3.619 2.560 1.00 7.79 C ATOM 893 CE2 PHE B 60 10.979 -3.057 4.375 1.00 12.57 C ATOM 894 CZ PHE B 60 11.200 -3.673 3.139 1.00 9.03 C ATOM 895 N THR B 61 16.863 -3.410 4.395 1.00 13.99 N ATOM 896 CA THR B 61 17.442 -4.463 3.582 1.00 14.39 C ATOM 897 C THR B 61 18.212 -5.462 4.432 1.00 14.28 C ATOM 898 O THR B 61 18.165 -6.666 4.181 1.00 14.32 O ATOM 899 CB THR B 61 18.390 -3.890 2.525 1.00 15.40 C ATOM 900 OG1 THR B 61 19.374 -3.076 3.168 1.00 19.14 O ATOM 901 CG2 THR B 61 17.614 -3.065 1.504 1.00 16.44 C ATOM 902 N LYS B 62 18.920 -4.955 5.436 1.00 13.70 N ATOM 903 CA LYS B 62 19.709 -5.798 6.327 1.00 15.79 C ATOM 904 C LYS B 62 18.766 -6.751 7.060 1.00 15.98 C ATOM 905 O LYS B 62 19.059 -7.939 7.209 1.00 16.00 O ATOM 906 CB LYS B 62 20.473 -4.920 7.329 1.00 19.46 C ATOM 907 CG LYS B 62 21.603 -5.616 8.094 1.00 24.24 C ATOM 908 CD LYS B 62 22.256 -4.643 9.081 1.00 27.01 C ATOM 909 CE LYS B 62 23.404 -5.275 9.859 1.00 29.46 C ATOM 910 NZ LYS B 62 24.636 -5.431 9.040 1.00 32.46 N ATOM 911 N ALA B 63 17.629 -6.220 7.505 1.00 14.37 N ATOM 912 CA ALA B 63 16.624 -7.010 8.208 1.00 14.65 C ATOM 913 C ALA B 63 16.172 -8.188 7.349 1.00 14.84 C ATOM 914 O ALA B 63 16.148 -9.329 7.812 1.00 15.09 O ATOM 915 CB ALA B 63 15.420 -6.131 8.568 1.00 14.43 C ATOM 916 N LEU B 64 15.814 -7.908 6.098 1.00 16.14 N ATOM 917 CA LEU B 64 15.369 -8.952 5.175 1.00 17.62 C ATOM 918 C LEU B 64 16.449 -10.006 4.951 1.00 18.84 C ATOM 919 O LEU B 64 16.163 -11.204 4.916 1.00 19.48 O ATOM 920 CB LEU B 64 14.983 -8.350 3.818 1.00 18.03 C ATOM 921 CG LEU B 64 13.761 -7.432 3.748 1.00 20.93 C ATOM 922 CD1 LEU B 64 13.608 -6.890 2.328 1.00 20.20 C ATOM 923 CD2 LEU B 64 12.517 -8.202 4.169 1.00 21.11 C ATOM 924 N LYS B 65 17.688 -9.555 4.788 1.00 19.89 N ATOM 925 CA LYS B 65 18.803 -10.463 4.559 1.00 21.45 C ATOM 926 C LYS B 65 19.065 -11.360 5.763 1.00 23.23 C ATOM 927 O LYS B 65 19.528 -12.494 5.612 1.00 21.80 O ATOM 928 CB LYS B 65 20.069 -9.672 4.211 1.00 22.75 C ATOM 929 CG LYS B 65 20.019 -9.011 2.839 1.00 24.94 C ATOM 930 CD LYS B 65 21.313 -8.291 2.516 1.00 25.93 C ATOM 931 CE LYS B 65 21.241 -7.626 1.156 1.00 28.15 C ATOM 932 NZ LYS B 65 22.556 -7.050 0.768 1.00 30.45 N ATOM 933 N GLN B 66 18.773 -10.853 6.958 1.00 23.42 N ATOM 934 CA GLN B 66 18.976 -11.631 8.174 1.00 24.12 C ATOM 935 C GLN B 66 17.838 -12.628 8.389 1.00 24.72 C ATOM 936 O GLN B 66 18.054 -13.723 8.899 1.00 24.40 O ATOM 937 CB GLN B 66 19.064 -10.710 9.400 1.00 24.01 C ATOM 938 CG GLN B 66 20.305 -9.827 9.474 1.00 24.54 C ATOM 939 CD GLN B 66 21.595 -10.622 9.488 1.00 26.23 C ATOM 940 OE1 GLN B 66 21.736 -11.589 10.242 1.00 25.61 O ATOM 941 NE2 GLN B 66 22.551 -10.212 8.660 1.00 26.18 N ATOM 942 N SER B 67 16.629 -12.243 7.994 1.00 25.74 N ATOM 943 CA SER B 67 15.456 -13.092 8.180 1.00 27.74 C ATOM 944 C SER B 67 15.299 -14.147 7.100 1.00 27.43 C ATOM 945 O SER B 67 14.506 -15.071 7.235 1.00 28.08 O ATOM 946 CB SER B 67 14.199 -12.232 8.255 1.00 26.97 C ATOM 947 N VAL B 68 16.050 -14.001 6.020 1.00 29.33 N ATOM 948 CA VAL B 68 15.986 -14.964 4.938 1.00 30.49 C ATOM 949 C VAL B 68 16.939 -16.102 5.252 1.00 32.11 C ATOM 950 O VAL B 68 16.732 -17.237 4.808 1.00 33.66 O ATOM 951 CB VAL B 68 16.357 -14.304 3.583 1.00 31.60 C ATOM 952 CG1 VAL B 68 17.048 -15.301 2.667 1.00 29.88 C ATOM 953 CG2 VAL B 68 15.096 -13.780 2.915 1.00 30.60 C ATOM 954 N LEU B 69 17.978 -15.800 6.027 1.00 32.16 N ATOM 955 CA LEU B 69 18.949 -16.813 6.399 1.00 33.23 C ATOM 956 C LEU B 69 18.633 -17.408 7.760 1.00 34.11 C ATOM 957 O LEU B 69 18.737 -18.648 7.880 1.00 35.91 O ATOM 958 CB LEU B 69 20.382 -16.249 6.373 1.00 32.97 C ATOM 959 CG LEU B 69 20.976 -15.184 7.301 1.00 30.01 C ATOM 960 CD1 LEU B 69 21.174 -15.707 8.715 1.00 29.09 C ATOM 961 CD2 LEU B 69 22.322 -14.780 6.713 1.00 27.69 C TER 963 LEU B 69 HETATM 963 O HOH A 77 13.246 -25.151 -1.284 1.00 14.23 O HETATM 964 O HOH A 78 15.870 -25.374 -3.000 1.00 13.98 O HETATM 965 O HOH A 79 -6.403 -2.485 -0.192 1.00 14.58 O HETATM 966 O HOH A 80 -6.042 -1.811 6.436 1.00 7.64 O HETATM 967 O HOH A 81 13.648 8.163 -2.030 1.00 15.63 O HETATM 968 O HOH A 82 8.224 6.543 11.171 1.00 22.51 O HETATM 969 O HOH A 83 -1.392 -10.118 -16.287 1.00 27.22 O HETATM 970 O HOH A 84 21.989 -20.905 -3.813 1.00 11.71 O HETATM 971 O HOH A 85 -7.669 -1.536 2.091 1.00 23.23 O HETATM 972 O HOH A 86 1.068 -14.694 -2.394 1.00 19.09 O HETATM 973 O HOH A 87 17.149 -14.537 -9.189 1.00 28.56 O HETATM 974 O HOH A 88 18.537 -23.209 -8.020 1.00 30.57 O HETATM 975 O HOH A 89 -9.653 0.919 13.144 1.00 39.43 O HETATM 976 O HOH A 90 4.452 1.555 15.668 1.00 36.38 O HETATM 977 O HOH A 91 19.292 -27.211 1.748 1.00 19.96 O HETATM 978 O HOH A 92 20.086 -19.120 -1.308 1.00 18.88 O HETATM 979 O HOH A 93 22.206 -9.019 -6.839 1.00 26.27 O HETATM 980 O HOH A 94 10.385 -17.013 -12.132 1.00 37.85 O HETATM 981 O HOH A 95 -7.659 -2.814 4.793 1.00 25.27 O HETATM 982 O HOH A 96 23.155 -12.391 1.634 1.00 26.40 O HETATM 983 O HOH A 97 18.368 17.414 -2.978 1.00 39.34 O HETATM 984 O HOH A 98 21.779 2.701 -7.882 1.00 29.29 O HETATM 985 O HOH A 99 1.069 -15.227 1.564 1.00 38.83 O HETATM 986 O HOH A 100 8.422 -21.888 -4.911 1.00 23.46 O HETATM 987 O HOH A 101 12.451 -4.156 -5.328 1.00 25.70 O HETATM 988 O HOH A 102 -7.765 -0.755 -1.814 1.00 27.07 O HETATM 989 O HOH A 103 -7.493 2.090 1.940 1.00 43.24 O HETATM 990 O HOH A 104 8.596 -20.581 -11.892 1.00 30.99 O HETATM 991 O HOH A 105 12.265 -15.078 3.664 1.00 29.59 O HETATM 992 O HOH A 106 0.537 -17.434 -0.724 1.00 23.81 O HETATM 993 O HOH A 107 2.013 -13.496 -16.428 1.00 48.71 O HETATM 994 O HOH A 108 5.403 -18.097 3.572 1.00 35.30 O HETATM 995 O HOH A 109 -8.426 -4.274 10.800 1.00 42.93 O HETATM 996 O HOH A 110 19.404 -19.053 -11.050 1.00 37.51 O HETATM 997 O HOH A 111 2.867 -14.075 8.658 1.00 37.46 O HETATM 998 O HOH A 112 19.698 -3.304 -8.669 1.00 38.11 O HETATM 999 O HOH A 113 18.236 -16.970 -9.741 1.00 29.08 O HETATM 1000 O HOH A 114 -4.049 -1.843 -18.952 1.00 39.26 O HETATM 1001 O HOH A 115 18.749 -5.944 -8.558 1.00 30.77 O HETATM 1002 O HOH A 116 4.033 0.487 -11.406 1.00 35.81 O HETATM 1003 O HOH A 117 13.990 -15.968 -10.634 1.00 42.23 O HETATM 1004 O HOH A 118 4.032 -16.309 -13.536 1.00 41.71 O HETATM 1005 O HOH A 119 16.183 -12.291 -9.096 1.00 35.44 O HETATM 1006 O HOH A 120 11.920 3.756 -9.297 1.00 48.13 O HETATM 1007 O HOH A 121 12.267 2.392 9.502 1.00 34.88 O HETATM 1008 O HOH A 122 -5.861 -3.974 10.886 1.00 40.73 O HETATM 1009 O HOH A 123 16.294 -25.898 -5.366 1.00 18.34 O HETATM 1010 O HOH A 124 6.561 -7.129 -18.356 1.00 25.57 O HETATM 1011 O HOH A 125 6.089 -9.568 -18.296 1.00 34.13 O HETATM 1012 O HOH A 126 5.795 -6.524 -14.905 1.00 33.09 O HETATM 1013 O HOH A 127 15.220 -24.513 7.184 1.00 39.76 O HETATM 1014 O HOH A 128 20.452 -18.456 -6.694 1.00 38.56 O HETATM 1015 O HOH A 129 -0.495 5.733 6.679 1.00 27.74 O HETATM 1016 O HOH A 130 -1.040 5.546 -1.790 1.00 33.29 O HETATM 1017 O HOH A 131 8.897 14.858 -7.722 1.00 38.38 O HETATM 1018 O HOH A 132 11.041 -24.546 1.462 1.00 32.93 O TER 1020 HOH A 132 HETATM 1020 O HOH B 77 13.188 15.415 3.343 1.00 14.09 O HETATM 1021 O HOH B 78 -7.823 -8.573 0.425 1.00 34.53 O HETATM 1022 O HOH B 79 18.146 9.988 -0.361 1.00 20.28 O HETATM 1023 O HOH B 80 15.941 15.841 5.450 1.00 13.76 O HETATM 1024 O HOH B 81 15.993 17.453 2.213 1.00 32.22 O HETATM 1025 O HOH B 82 17.025 14.269 13.244 1.00 38.85 O HETATM 1026 O HOH B 83 21.915 -6.440 -1.841 1.00 21.65 O HETATM 1027 O HOH B 84 21.878 11.407 5.798 1.00 15.10 O HETATM 1028 O HOH B 85 13.487 -17.855 4.258 1.00 33.50 O HETATM 1029 O HOH B 86 22.337 -0.973 8.569 1.00 31.84 O HETATM 1030 O HOH B 87 0.541 -14.882 -13.444 1.00 38.44 O HETATM 1031 O HOH B 88 -9.108 -10.202 4.175 1.00 43.26 O HETATM 1032 O HOH B 89 19.744 9.615 2.384 1.00 22.65 O HETATM 1033 O HOH B 90 25.245 2.357 2.962 1.00 22.24 O HETATM 1034 O HOH B 91 11.841 6.278 -2.358 1.00 25.19 O HETATM 1035 O HOH B 92 3.093 5.713 6.146 1.00 29.43 O HETATM 1036 O HOH B 93 19.032 14.498 10.246 1.00 37.35 O HETATM 1037 O HOH B 94 -2.809 -8.306 18.208 1.00 34.45 O HETATM 1038 O HOH B 95 1.039 4.726 4.652 1.00 23.75 O HETATM 1039 O HOH B 96 11.700 -15.504 -8.417 1.00 39.42 O HETATM 1040 O HOH B 97 2.983 -0.441 16.598 1.00 32.24 O HETATM 1041 O HOH B 98 -3.860 -16.833 -5.039 1.00 28.89 O HETATM 1042 O HOH B 99 0.760 6.072 0.237 1.00 33.14 O HETATM 1043 O HOH B 100 23.669 2.031 6.549 1.00 22.20 O HETATM 1044 O HOH B 101 -5.987 -13.089 -10.982 1.00 32.78 O HETATM 1045 O HOH B 102 20.194 3.746 11.526 1.00 39.46 O HETATM 1046 O HOH B 103 22.861 -1.549 2.073 1.00 37.19 O HETATM 1047 O HOH B 104 -3.646 3.112 16.284 1.00 42.35 O HETATM 1048 O HOH B 105 17.162 19.750 2.074 1.00 35.61 O HETATM 1049 O HOH B 106 -6.338 -7.439 2.745 1.00 32.19 O HETATM 1050 O HOH B 107 15.533 -19.465 9.254 1.00 41.44 O HETATM 1051 O HOH B 108 22.807 -5.787 4.384 1.00 29.18 O HETATM 1052 O HOH B 109 11.142 -0.535 -1.811 1.00 47.93 O HETATM 1053 O HOH B 110 26.005 -4.165 6.778 1.00 36.45 O HETATM 1054 O HOH B 111 2.255 -13.645 14.941 1.00 45.13 O HETATM 1055 O HOH B 112 6.318 -2.851 16.897 1.00 46.74 O TER 1056 HOH B 112 ENDMDL MASTER END