HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 03-OCT-06 2IM8 TITLE X-RAY CRYSTAL STRUCTURE OF PROTEIN YPPE FROM BACILLUS TITLE 2 SUBTILIS. NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET TITLE 3 SR213. COMPND MOL_ID: 1; COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YPPE; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; SOURCE 3 ORGANISM_TAXID: 1423; SOURCE 4 GENE: YPPE; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) + MAGIC; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET21 KEYWDS X-RAY, SR213, YPPE, STRUCTURAL GENOMICS, PSI-2, PROTEIN KEYWDS 2 STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS KEYWDS 3 CONSORTIUM, NESG, UNKNOWN FUNCTION EXPDTA X-RAY DIFFRACTION AUTHOR A.P.KUZIN,R.SHASTRY,H.JANJUA,K.CUNNINGHAM,L.C.MA,R.XIAO, AUTHOR 2 J.LIU,D.HANG,M.C.BARAN,T.B.ACTON,B.ROST,G.T.MONTELIONE, AUTHOR 3 L.TONG,J.F.HUNT,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM AUTHOR 4 (NESG) REVDAT 3 24-FEB-09 2IM8 1 VERSN REVDAT 2 02-NOV-06 2IM8 1 AUTHOR REVDAT 1 17-OCT-06 2IM8 0 JRNL AUTH A.P.KUZIN,H.NEELY,J.SEETHARAMAN,R.SHASTRY,H.JANJUA, JRNL AUTH 2 K.CUNNINGHAM,L.C.MA,R.XIAO,J.LIU,M.C.BARAN, JRNL AUTH 3 T.B.ACTON,B.ROST,G.MONTELIONE,L.TONG,J.F.HUNT JRNL TITL X-RAY STRUCTURE OF HYPOTHETICAL PROTEIN YPPE. JRNL TITL 2 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET JRNL TITL 3 SR213. JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.00 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) : 2.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.29 REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 356865.360 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 89.5 REMARK 3 NUMBER OF REFLECTIONS : 28300 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) : 0.236 REMARK 3 FREE R VALUE : 0.257 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1401 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.007 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) : 2.00 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.13 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 70.70 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 3526 REMARK 3 BIN R VALUE (WORKING SET) : 0.3260 REMARK 3 BIN FREE R VALUE : 0.4170 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.90 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 182 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.031 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1974 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 5 REMARK 3 SOLVENT ATOMS : 165 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 19.00 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 27.90 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -2.93000 REMARK 3 B22 (A**2) : -0.34000 REMARK 3 B33 (A**2) : 3.27000 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) : 0.28 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) : 0.30 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.32 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.006 REMARK 3 BOND ANGLES (DEGREES) : 1.10 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 15.70 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.72 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 : 0.36 REMARK 3 BSOL : 42.59 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.PARAM 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 2IM8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 04-OCT-06. REMARK 100 THE RCSB ID CODE IS RCSB039742. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 24-AUG-06 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.5 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) : 0.97934, 0.97956, 0.96806 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 30962 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.000 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 (%) : 97.7 REMARK 200 DATA REDUNDANCY : 33.600 REMARK 200 R MERGE (I) : 0.07500 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 29.2000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.07 REMARK 200 COMPLETENESS FOR SHELL (%) : 93.4 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.33400 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 7.500 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: MAD REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD REMARK 200 SOFTWARE USED: SOLVE 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 (%): 36.06 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.92 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.8M KH2PO4, 0.8M NAH2PO4, 0.1M REMARK 280 HEPES, PH 7.5, VAPOR DIFFUSION, SITTING 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 22.36750 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 38.11850 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 35.41500 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 38.11850 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 22.36750 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 35.41500 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 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 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: 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 LEU A 124 REMARK 465 GLU A 125 REMARK 465 HIS A 126 REMARK 465 HIS A 127 REMARK 465 HIS A 128 REMARK 465 HIS A 129 REMARK 465 HIS A 130 REMARK 465 HIS A 131 REMARK 465 LYS B 68 REMARK 465 TYR B 69 REMARK 465 VAL B 70 REMARK 465 GLU B 120 REMARK 465 ASP B 121 REMARK 465 SER B 122 REMARK 465 ARG B 123 REMARK 465 LEU B 124 REMARK 465 GLU B 125 REMARK 465 HIS B 126 REMARK 465 HIS B 127 REMARK 465 HIS B 128 REMARK 465 HIS B 129 REMARK 465 HIS B 130 REMARK 465 HIS B 131 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 THR A 39 -58.37 -128.73 REMARK 500 HIS A 92 49.62 35.11 REMARK 500 THR B 39 -62.38 -127.53 REMARK 500 LYS B 63 -73.83 -73.21 REMARK 500 LYS B 72 -173.76 -60.51 REMARK 500 HIS B 92 52.48 39.33 REMARK 500 ALA B 118 43.53 -162.02 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 A 201 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: SR213 RELATED DB: TARGETDB REMARK 900 RELATED ID: 2HFI RELATED DB: PDB REMARK 900 SOLUTION NMR STRUCTURE OF HYPOTHETICAL PROTEIN YPPE: REMARK 900 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET SR213 DBREF 2IM8 A 1 123 UNP P50833 YPPE_BACSU 1 123 DBREF 2IM8 B 1 123 UNP P50833 YPPE_BACSU 1 123 SEQADV 2IM8 MSE A 1 UNP P50833 MET 1 MODIFIED RESIDUE SEQADV 2IM8 MSE A 9 UNP P50833 MET 9 MODIFIED RESIDUE SEQADV 2IM8 MSE A 13 UNP P50833 MET 13 MODIFIED RESIDUE SEQADV 2IM8 LEU A 124 UNP P50833 CLONING ARTIFACT SEQADV 2IM8 GLU A 125 UNP P50833 CLONING ARTIFACT SEQADV 2IM8 HIS A 126 UNP P50833 CLONING ARTIFACT SEQADV 2IM8 HIS A 127 UNP P50833 CLONING ARTIFACT SEQADV 2IM8 HIS A 128 UNP P50833 CLONING ARTIFACT SEQADV 2IM8 HIS A 129 UNP P50833 CLONING ARTIFACT SEQADV 2IM8 HIS A 130 UNP P50833 CLONING ARTIFACT SEQADV 2IM8 HIS A 131 UNP P50833 CLONING ARTIFACT SEQADV 2IM8 MSE B 1 UNP P50833 MET 1 MODIFIED RESIDUE SEQADV 2IM8 MSE B 9 UNP P50833 MET 9 MODIFIED RESIDUE SEQADV 2IM8 MSE B 13 UNP P50833 MET 13 MODIFIED RESIDUE SEQADV 2IM8 LEU B 124 UNP P50833 CLONING ARTIFACT SEQADV 2IM8 GLU B 125 UNP P50833 CLONING ARTIFACT SEQADV 2IM8 HIS B 126 UNP P50833 CLONING ARTIFACT SEQADV 2IM8 HIS B 127 UNP P50833 CLONING ARTIFACT SEQADV 2IM8 HIS B 128 UNP P50833 CLONING ARTIFACT SEQADV 2IM8 HIS B 129 UNP P50833 CLONING ARTIFACT SEQADV 2IM8 HIS B 130 UNP P50833 CLONING ARTIFACT SEQADV 2IM8 HIS B 131 UNP P50833 CLONING ARTIFACT SEQRES 1 A 131 MSE LEU SER GLN THR LEU LEU GLU MSE THR GLU GLN MSE SEQRES 2 A 131 ILE GLU VAL ALA GLU LYS GLY ALA ASP ARG TYR GLN GLU SEQRES 3 A 131 GLY LYS ASN SER ASN HIS SER TYR ASP PHE PHE GLU THR SEQRES 4 A 131 ILE LYS PRO ALA VAL GLU GLU ASN ASP GLU LEU ALA ALA SEQRES 5 A 131 ARG TRP ALA GLU GLY ALA LEU GLU LEU ILE LYS VAL ARG SEQRES 6 A 131 ARG PRO LYS TYR VAL HIS LYS GLU GLN ILE GLU ALA VAL SEQRES 7 A 131 LYS ASP ASN PHE LEU GLU LEU VAL LEU GLN SER TYR VAL SEQRES 8 A 131 HIS HIS ILE HIS LYS LYS ARG PHE LYS ASP ILE THR GLU SEQRES 9 A 131 SER VAL LEU TYR THR LEU HIS ALA VAL LYS ASP GLU ILE SEQRES 10 A 131 ALA ARG GLU ASP SER ARG LEU GLU HIS HIS HIS HIS HIS SEQRES 11 A 131 HIS SEQRES 1 B 131 MSE LEU SER GLN THR LEU LEU GLU MSE THR GLU GLN MSE SEQRES 2 B 131 ILE GLU VAL ALA GLU LYS GLY ALA ASP ARG TYR GLN GLU SEQRES 3 B 131 GLY LYS ASN SER ASN HIS SER TYR ASP PHE PHE GLU THR SEQRES 4 B 131 ILE LYS PRO ALA VAL GLU GLU ASN ASP GLU LEU ALA ALA SEQRES 5 B 131 ARG TRP ALA GLU GLY ALA LEU GLU LEU ILE LYS VAL ARG SEQRES 6 B 131 ARG PRO LYS TYR VAL HIS LYS GLU GLN ILE GLU ALA VAL SEQRES 7 B 131 LYS ASP ASN PHE LEU GLU LEU VAL LEU GLN SER TYR VAL SEQRES 8 B 131 HIS HIS ILE HIS LYS LYS ARG PHE LYS ASP ILE THR GLU SEQRES 9 B 131 SER VAL LEU TYR THR LEU HIS ALA VAL LYS ASP GLU ILE SEQRES 10 B 131 ALA ARG GLU ASP SER ARG LEU GLU HIS HIS HIS HIS HIS SEQRES 11 B 131 HIS MODRES 2IM8 MSE A 1 MET SELENOMETHIONINE MODRES 2IM8 MSE A 9 MET SELENOMETHIONINE MODRES 2IM8 MSE A 13 MET SELENOMETHIONINE MODRES 2IM8 MSE B 1 MET SELENOMETHIONINE MODRES 2IM8 MSE B 9 MET SELENOMETHIONINE MODRES 2IM8 MSE B 13 MET SELENOMETHIONINE HET MSE A 1 8 HET MSE A 9 8 HET MSE A 13 8 HET MSE B 1 8 HET MSE B 9 8 HET MSE B 13 8 HET PO4 A 201 5 HETNAM MSE SELENOMETHIONINE HETNAM PO4 PHOSPHATE ION FORMUL 1 MSE 6(C5 H11 N O2 SE) FORMUL 3 PO4 O4 P 3- FORMUL 4 HOH *165(H2 O) HELIX 1 1 LEU A 2 SER A 30 1 29 HELIX 2 2 THR A 39 ARG A 65 1 27 HELIX 3 3 HIS A 71 HIS A 92 1 22 HELIX 4 4 HIS A 95 SER A 122 1 28 HELIX 5 5 THR B 5 ASN B 31 1 27 HELIX 6 6 THR B 39 ARG B 65 1 27 HELIX 7 7 GLN B 74 HIS B 92 1 19 HELIX 8 8 HIS B 95 ILE B 117 1 23 LINK C MSE A 1 N LEU A 2 1555 1555 1.33 LINK C GLU A 8 N MSE A 9 1555 1555 1.33 LINK C MSE A 9 N THR A 10 1555 1555 1.33 LINK C GLN A 12 N MSE A 13 1555 1555 1.33 LINK C MSE A 13 N ILE A 14 1555 1555 1.33 LINK C MSE B 1 N LEU B 2 1555 1555 1.33 LINK C GLU B 8 N MSE B 9 1555 1555 1.33 LINK C MSE B 9 N THR B 10 1555 1555 1.33 LINK C GLN B 12 N MSE B 13 1555 1555 1.33 LINK C MSE B 13 N ILE B 14 1555 1555 1.33 SITE 1 AC1 7 ASN A 31 SER A 33 LYS A 114 ASP A 115 SITE 2 AC1 7 HOH A 265 HOH A 295 LYS B 100 CRYST1 44.735 70.830 76.237 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 0.022354 0.000000 0.000000 0.00000 SCALE2 0.000000 0.014118 0.000000 0.00000 SCALE3 0.000000 0.000000 0.013117 0.00000 HETATM 1 N MSE A 1 7.765 56.421 8.527 1.00 39.48 N HETATM 2 CA MSE A 1 8.535 56.476 9.801 1.00 40.36 C HETATM 3 C MSE A 1 9.988 56.058 9.542 1.00 38.23 C HETATM 4 O MSE A 1 10.347 55.633 8.439 1.00 37.46 O HETATM 5 CB MSE A 1 7.891 55.535 10.849 1.00 51.49 C HETATM 6 CG MSE A 1 8.401 55.722 12.298 1.00 55.82 C HETATM 7 SE MSE A 1 7.770 54.431 13.657 1.00 62.51 SE HETATM 8 CE MSE A 1 6.314 55.459 14.419 1.00 61.09 C REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 2IM8.PDB, MODEL/S 1 2IM8.PDB REMARK PdbStat -- SEQRES 1 A 405 MSE LEU SER GLN THR LEU LEU GLU MSE THR GLU GLN MSE SEQRES 2 A 405 ILE GLU VAL ALA GLU LYS GLY ALA ASP ARG TYR GLN GLU SEQRES 3 A 405 GLY LYS ASN SER ASN HIS SER TYR ASP PHE PHE GLU THR SEQRES 4 A 405 ILE LYS PRO ALA VAL GLU GLU ASN ASP GLU LEU ALA ALA SEQRES 5 A 405 ARG TRP ALA GLU GLY ALA LEU GLU LEU ILE LYS VAL ARG SEQRES 6 A 405 ARG PRO LYS TYR VAL HIS LYS GLU GLN ILE GLU ALA VAL SEQRES 7 A 405 LYS ASP ASN PHE LEU GLU LEU VAL LEU GLN SER TYR VAL SEQRES 8 A 405 HIS HIS ILE HIS LYS LYS ARG PHE LYS ASP ILE THR GLU SEQRES 9 A 405 SER VAL LEU TYR THR LEU HIS ALA VAL LYS ASP GLU ILE SEQRES 10 A 405 ALA ARG GLU ASP SER ARG MSE LEU SER GLN THR LEU LEU SEQRES 11 A 405 GLU MSE THR GLU GLN MSE ILE GLU VAL ALA GLU LYS GLY SEQRES 12 A 405 ALA ASP ARG TYR GLN GLU GLY LYS ASN SER ASN HIS SER SEQRES 13 A 405 TYR ASP PHE PHE GLU THR ILE LYS PRO ALA VAL GLU GLU SEQRES 14 A 405 ASN ASP GLU LEU ALA ALA ARG TRP ALA GLU GLY ALA LEU SEQRES 15 A 405 GLU LEU ILE LYS VAL ARG ARG PRO HIS LYS GLU GLN ILE SEQRES 16 A 405 GLU ALA VAL LYS ASP ASN PHE LEU GLU LEU VAL LEU GLN SEQRES 17 A 405 SER TYR VAL HIS HIS ILE HIS LYS LYS ARG PHE LYS ASP SEQRES 18 A 405 ILE THR GLU SER VAL LEU TYR THR LEU HIS ALA VAL LYS SEQRES 19 A 405 ASP GLU ILE ALA ARG PO4 HOH HOH HOH HOH HOH HOH HOH SEQRES 20 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 21 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 22 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 23 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 24 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 25 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 26 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 27 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 28 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 29 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 30 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 31 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 32 A 405 HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 2IM8.PDB, MODEL/S 1 2IM8.PDB REMARK PdbStat -- SEQRES 1 A 405 MSE LEU SER GLN THR LEU LEU GLU MSE THR GLU GLN MSE SEQRES 2 A 405 ILE GLU VAL ALA GLU LYS GLY ALA ASP ARG TYR GLN GLU SEQRES 3 A 405 GLY LYS ASN SER ASN HIS SER TYR ASP PHE PHE GLU THR SEQRES 4 A 405 ILE LYS PRO ALA VAL GLU GLU ASN ASP GLU LEU ALA ALA SEQRES 5 A 405 ARG TRP ALA GLU GLY ALA LEU GLU LEU ILE LYS VAL ARG SEQRES 6 A 405 ARG PRO LYS TYR VAL HIS LYS GLU GLN ILE GLU ALA VAL SEQRES 7 A 405 LYS ASP ASN PHE LEU GLU LEU VAL LEU GLN SER TYR VAL SEQRES 8 A 405 HIS HIS ILE HIS LYS LYS ARG PHE LYS ASP ILE THR GLU SEQRES 9 A 405 SER VAL LEU TYR THR LEU HIS ALA VAL LYS ASP GLU ILE SEQRES 10 A 405 ALA ARG GLU ASP SER ARG MSE LEU SER GLN THR LEU LEU SEQRES 11 A 405 GLU MSE THR GLU GLN MSE ILE GLU VAL ALA GLU LYS GLY SEQRES 12 A 405 ALA ASP ARG TYR GLN GLU GLY LYS ASN SER ASN HIS SER SEQRES 13 A 405 TYR ASP PHE PHE GLU THR ILE LYS PRO ALA VAL GLU GLU SEQRES 14 A 405 ASN ASP GLU LEU ALA ALA ARG TRP ALA GLU GLY ALA LEU SEQRES 15 A 405 GLU LEU ILE LYS VAL ARG ARG PRO HIS LYS GLU GLN ILE SEQRES 16 A 405 GLU ALA VAL LYS ASP ASN PHE LEU GLU LEU VAL LEU GLN SEQRES 17 A 405 SER TYR VAL HIS HIS ILE HIS LYS LYS ARG PHE LYS ASP SEQRES 18 A 405 ILE THR GLU SER VAL LEU TYR THR LEU HIS ALA VAL LYS SEQRES 19 A 405 ASP GLU ILE ALA ARG PO4 HOH HOH HOH HOH HOH HOH HOH SEQRES 20 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 21 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 22 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 23 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 24 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 25 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 26 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 27 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 28 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 29 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 30 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 31 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 32 A 405 HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 2IM8.PDB, MODEL/S 1 2IM8.PDB REMARK PdbStat -- SEQRES 1 A 405 MSE LEU SER GLN THR LEU LEU GLU MSE THR GLU GLN MSE SEQRES 2 A 405 ILE GLU VAL ALA GLU LYS GLY ALA ASP ARG TYR GLN GLU SEQRES 3 A 405 GLY LYS ASN SER ASN HIS SER TYR ASP PHE PHE GLU THR SEQRES 4 A 405 ILE LYS PRO ALA VAL GLU GLU ASN ASP GLU LEU ALA ALA SEQRES 5 A 405 ARG TRP ALA GLU GLY ALA LEU GLU LEU ILE LYS VAL ARG SEQRES 6 A 405 ARG PRO LYS TYR VAL HIS LYS GLU GLN ILE GLU ALA VAL SEQRES 7 A 405 LYS ASP ASN PHE LEU GLU LEU VAL LEU GLN SER TYR VAL SEQRES 8 A 405 HIS HIS ILE HIS LYS LYS ARG PHE LYS ASP ILE THR GLU SEQRES 9 A 405 SER VAL LEU TYR THR LEU HIS ALA VAL LYS ASP GLU ILE SEQRES 10 A 405 ALA ARG GLU ASP SER ARG MSE LEU SER GLN THR LEU LEU SEQRES 11 A 405 GLU MSE THR GLU GLN MSE ILE GLU VAL ALA GLU LYS GLY SEQRES 12 A 405 ALA ASP ARG TYR GLN GLU GLY LYS ASN SER ASN HIS SER SEQRES 13 A 405 TYR ASP PHE PHE GLU THR ILE LYS PRO ALA VAL GLU GLU SEQRES 14 A 405 ASN ASP GLU LEU ALA ALA ARG TRP ALA GLU GLY ALA LEU SEQRES 15 A 405 GLU LEU ILE LYS VAL ARG ARG PRO HIS LYS GLU GLN ILE SEQRES 16 A 405 GLU ALA VAL LYS ASP ASN PHE LEU GLU LEU VAL LEU GLN SEQRES 17 A 405 SER TYR VAL HIS HIS ILE HIS LYS LYS ARG PHE LYS ASP SEQRES 18 A 405 ILE THR GLU SER VAL LEU TYR THR LEU HIS ALA VAL LYS SEQRES 19 A 405 ASP GLU ILE ALA ARG PO4 HOH HOH HOH HOH HOH HOH HOH SEQRES 20 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 21 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 22 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 23 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 24 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 25 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 26 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 27 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 28 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 29 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 30 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 31 A 405 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 32 A 405 HOH HOH MODEL 1 REMARK CONFORMATION 1 ENERGY 0.0000 REMARK FAMILY or FILE: 2IM8.pdb HETATM 1 N MSE A 1 10.237 54.114 9.532 1.00 39.48 N HETATM 2 CA MSE A 1 11.007 54.169 10.806 1.00 40.36 C HETATM 3 C MSE A 1 12.460 53.751 10.547 1.00 38.23 C HETATM 4 O MSE A 1 12.819 53.326 9.444 1.00 37.46 O HETATM 5 CB MSE A 1 10.363 53.228 11.854 1.00 51.49 C HETATM 6 CG MSE A 1 10.873 53.415 13.303 1.00 55.82 C HETATM 7 SE MSE A 1 10.242 52.124 14.662 1.00 62.51 HETATM 8 CE MSE A 1 8.786 53.152 15.424 1.00 61.09 C HETATM 9 N MSE A 1 10.097 55.798 11.618 1.00 39.48 N HETATM 10 CA MSE A 1 10.867 55.853 12.892 1.00 40.36 C HETATM 11 C MSE A 1 12.320 55.435 12.633 1.00 38.23 C HETATM 12 O MSE A 1 12.679 55.010 11.530 1.00 37.46 O HETATM 13 CB MSE A 1 10.223 54.912 13.940 1.00 51.49 C HETATM 14 CG MSE A 1 10.733 55.099 15.389 1.00 55.82 C HETATM 15 SE MSE A 1 10.102 53.808 16.748 1.00 62.51 HETATM 16 CE MSE A 1 8.646 54.836 17.510 1.00 61.09 C HETATM 17 N MSE A 1 -3.060 0.205 -2.033 1.00 39.48 N HETATM 18 CA MSE A 1 -2.290 0.260 -0.759 1.00 40.36 C HETATM 19 C MSE A 1 -0.837 -0.158 -1.018 1.00 38.23 C HETATM 20 O MSE A 1 -0.478 -0.583 -2.121 1.00 37.46 O HETATM 21 CB MSE A 1 -2.934 -0.681 0.289 1.00 51.49 C HETATM 22 CG MSE A 1 -2.424 -0.494 1.738 1.00 55.82 C HETATM 23 SE MSE A 1 -3.055 -1.785 3.097 1.00 62.51 HETATM 24 CE MSE A 1 -4.511 -0.757 3.859 1.00 61.09 C ATOM 25 N LEU A 2 -0.000 0.000 -0.000 1.00 30.21 N ATOM 26 CA LEU A 2 1.401 -0.396 -0.071 1.00 27.14 C ATOM 27 C LEU A 2 1.583 -1.327 1.121 1.00 25.63 C ATOM 28 O LEU A 2 0.906 -1.167 2.140 1.00 24.17 O ATOM 29 CB LEU A 2 2.322 0.819 0.076 1.00 33.97 C ATOM 30 CG LEU A 2 2.352 1.863 -1.046 1.00 33.96 C ATOM 31 CD1 LEU A 2 3.192 3.063 -0.616 1.00 32.15 C ATOM 32 CD2 LEU A 2 2.923 1.238 -2.310 1.00 33.27 C ATOM 33 N SER A 3 2.472 -2.307 1.005 1.00 29.67 N ATOM 34 CA SER A 3 2.685 -3.218 2.120 1.00 27.82 C ATOM 35 C SER A 3 3.119 -2.394 3.329 1.00 26.12 C ATOM 36 O SER A 3 2.912 -2.788 4.476 1.00 26.21 O ATOM 37 CB SER A 3 3.756 -4.257 1.777 1.00 28.59 C ATOM 38 OG SER A 3 5.027 -3.651 1.637 1.00 28.62 O ATOM 39 N GLN A 4 3.708 -1.237 3.052 1.00 23.38 N ATOM 40 CA GLN A 4 4.189 -0.321 4.082 1.00 22.10 C ATOM 41 C GLN A 4 3.081 0.081 5.061 1.00 20.71 C ATOM 42 O GLN A 4 3.312 0.199 6.269 1.00 17.70 O ATOM 43 CB GLN A 4 4.768 0.935 3.416 1.00 31.70 C ATOM 44 CG GLN A 4 6.060 0.701 2.632 1.00 33.91 C ATOM 45 CD GLN A 4 5.948 -0.390 1.569 1.00 35.10 C ATOM 46 OE1 GLN A 4 5.219 -0.251 0.590 1.00 35.06 O ATOM 47 NE2 GLN A 4 6.688 -1.481 1.761 1.00 37.88 N ATOM 48 N THR A 5 1.883 0.304 4.528 1.00 21.91 N ATOM 49 CA THR A 5 0.734 0.689 5.344 1.00 21.73 C ATOM 50 C THR A 5 0.309 -0.476 6.236 1.00 21.36 C ATOM 51 O THR A 5 0.018 -0.303 7.427 1.00 20.05 O ATOM 52 CB THR A 5 -0.456 1.079 4.449 1.00 20.76 C ATOM 53 OG1 THR A 5 -0.047 2.114 3.549 1.00 23.43 O ATOM 54 CG2 THR A 5 -1.622 1.559 5.280 1.00 21.74 C ATOM 55 N LEU A 6 0.272 -1.666 5.648 1.00 17.42 N ATOM 56 CA LEU A 6 -0.119 -2.862 6.382 1.00 17.95 C ATOM 57 C LEU A 6 0.843 -3.065 7.542 1.00 16.44 C ATOM 58 O LEU A 6 0.434 -3.293 8.676 1.00 16.26 O ATOM 59 CB LEU A 6 -0.070 -4.084 5.465 1.00 31.44 C ATOM 60 CG LEU A 6 -1.305 -4.975 5.326 1.00 36.26 C ATOM 61 CD1 LEU A 6 -0.931 -6.198 4.483 1.00 34.75 C ATOM 62 CD2 LEU A 6 -1.827 -5.411 6.698 1.00 33.16 C ATOM 63 N LEU A 7 2.133 -2.988 7.234 1.00 16.71 N ATOM 64 CA LEU A 7 3.187 -3.166 8.221 1.00 16.18 C ATOM 65 C LEU A 7 3.037 -2.181 9.389 1.00 15.11 C ATOM 66 O LEU A 7 3.145 -2.565 10.560 1.00 13.57 O ATOM 67 CB LEU A 7 4.553 -2.986 7.547 1.00 18.54 C ATOM 68 CG LEU A 7 5.772 -3.165 8.450 1.00 21.47 C ATOM 69 CD1 LEU A 7 5.893 -4.631 8.853 1.00 24.41 C ATOM 70 CD2 LEU A 7 7.033 -2.700 7.713 1.00 23.24 C ATOM 71 N GLU A 8 2.789 -0.912 9.078 1.00 17.04 N ATOM 72 CA GLU A 8 2.619 0.083 10.134 1.00 17.85 C ATOM 73 C GLU A 8 1.414 -0.285 10.980 1.00 16.61 C ATOM 74 O GLU A 8 1.470 -0.230 12.207 1.00 17.02 O ATOM 75 CB GLU A 8 2.414 1.480 9.545 1.00 35.79 C ATOM 76 CG GLU A 8 3.581 1.982 8.722 1.00 42.99 C ATOM 77 CD GLU A 8 3.399 3.423 8.287 1.00 46.92 C ATOM 78 OE1 GLU A 8 2.369 3.721 7.643 1.00 49.27 O ATOM 79 OE2 GLU A 8 4.283 4.255 8.596 1.00 50.01 O HETATM 80 N MSE A 9 0.320 -0.660 10.322 1.00 14.46 N HETATM 81 CA MSE A 9 -0.886 -1.037 11.050 1.00 15.68 C HETATM 82 C MSE A 9 -0.619 -2.270 11.903 1.00 14.60 C HETATM 83 O MSE A 9 -1.152 -2.405 12.998 1.00 12.35 O HETATM 84 CB MSE A 9 -2.033 -1.307 10.078 1.00 21.73 C HETATM 85 CG MSE A 9 -2.568 -0.058 9.414 1.00 25.85 C HETATM 86 SE MSE A 9 -4.075 -0.496 8.312 1.00 36.20 HETATM 87 CE MSE A 9 -4.644 1.303 7.868 1.00 33.03 C ATOM 88 N THR A 10 0.210 -3.171 11.391 1.00 11.17 N ATOM 89 CA THR A 10 0.553 -4.380 12.129 1.00 12.20 C ATOM 90 C THR A 10 1.321 -4.014 13.407 1.00 12.23 C ATOM 91 O THR A 10 1.029 -4.532 14.485 1.00 11.63 O ATOM 92 CB THR A 10 1.432 -5.310 11.278 1.00 11.16 C ATOM 93 OG1 THR A 10 0.718 -5.683 10.097 1.00 11.32 O ATOM 94 CG2 THR A 10 1.805 -6.572 12.066 1.00 14.99 C ATOM 95 N GLU A 11 2.305 -3.124 13.285 1.00 13.75 N ATOM 96 CA GLU A 11 3.098 -2.732 14.443 1.00 13.96 C ATOM 97 C GLU A 11 2.261 -1.946 15.441 1.00 13.91 C ATOM 98 O GLU A 11 2.480 -2.038 16.648 1.00 12.64 O ATOM 99 CB GLU A 11 4.328 -1.926 14.009 1.00 20.04 C ATOM 100 CG GLU A 11 5.397 -2.770 13.297 1.00 21.29 C ATOM 101 CD GLU A 11 6.352 -3.513 14.245 1.00 25.69 C ATOM 102 OE1 GLU A 11 5.955 -3.882 15.372 1.00 24.44 O ATOM 103 OE2 GLU A 11 7.519 -3.741 13.847 1.00 28.34 O ATOM 104 N GLN A 12 1.294 -1.187 14.931 1.00 11.25 N ATOM 105 CA GLN A 12 0.400 -0.399 15.778 1.00 11.78 C ATOM 106 C GLN A 12 -0.441 -1.355 16.630 1.00 8.81 C ATOM 107 O GLN A 12 -0.584 -1.159 17.833 1.00 11.12 O ATOM 108 CB GLN A 12 -0.522 0.466 14.908 1.00 16.71 C ATOM 109 CG GLN A 12 -1.055 1.710 15.593 1.00 23.99 C ATOM 110 CD GLN A 12 -1.837 2.613 14.654 1.00 25.72 C ATOM 111 OE1 GLN A 12 -1.400 2.904 13.531 1.00 28.81 O ATOM 112 NE2 GLN A 12 -2.992 3.076 15.114 1.00 27.90 N HETATM 113 N MSE A 13 -0.996 -2.390 16.006 1.00 11.38 N HETATM 114 CA MSE A 13 -1.806 -3.365 16.736 1.00 11.13 C HETATM 115 C MSE A 13 -0.973 -4.136 17.759 1.00 9.19 C HETATM 116 O MSE A 13 -1.445 -4.451 18.850 1.00 8.03 O HETATM 117 CB MSE A 13 -2.475 -4.340 15.766 1.00 15.86 C HETATM 118 CG MSE A 13 -3.606 -3.696 14.965 1.00 18.99 C HETATM 119 SE MSE A 13 -4.341 -4.854 13.601 1.00 24.74 HETATM 120 CE MSE A 13 -5.287 -6.092 14.739 1.00 14.66 C ATOM 121 N ILE A 14 0.272 -4.438 17.412 1.00 11.73 N ATOM 122 CA ILE A 14 1.144 -5.158 18.336 1.00 11.17 C ATOM 123 C ILE A 14 1.334 -4.310 19.583 1.00 11.75 C ATOM 124 O ILE A 14 1.253 -4.802 20.710 1.00 11.18 O ATOM 125 CB ILE A 14 2.522 -5.455 17.692 1.00 12.73 C ATOM 126 CG1 ILE A 14 2.348 -6.483 16.579 1.00 11.18 C ATOM 127 CG2 ILE A 14 3.527 -5.966 18.753 1.00 10.22 C ATOM 128 CD1 ILE A 14 3.611 -6.701 15.742 1.00 15.55 C ATOM 129 N GLU A 15 1.572 -3.023 19.380 1.00 10.78 N ATOM 130 CA GLU A 15 1.765 -2.127 20.507 1.00 10.38 C ATOM 131 C GLU A 15 0.470 -2.010 21.325 1.00 9.92 C ATOM 132 O GLU A 15 0.499 -2.048 22.555 1.00 10.58 O ATOM 133 CB GLU A 15 2.230 -0.744 20.018 1.00 13.18 C ATOM 134 CG GLU A 15 2.577 0.206 21.162 1.00 12.83 C ATOM 135 CD GLU A 15 3.103 1.572 20.706 1.00 20.26 C ATOM 136 OE1 GLU A 15 3.558 1.697 19.543 1.00 17.94 O ATOM 137 OE2 GLU A 15 3.074 2.520 21.534 1.00 18.12 O ATOM 138 N VAL A 16 -0.664 -1.870 20.645 1.00 12.09 N ATOM 139 CA VAL A 16 -1.956 -1.784 21.334 1.00 13.52 C ATOM 140 C VAL A 16 -2.129 -3.021 22.211 1.00 12.42 C ATOM 141 O VAL A 16 -2.558 -2.930 23.361 1.00 13.21 O ATOM 142 CB VAL A 16 -3.132 -1.741 20.328 1.00 10.45 C ATOM 143 CG1 VAL A 16 -4.463 -1.975 21.059 1.00 12.64 C ATOM 144 CG2 VAL A 16 -3.142 -0.410 19.604 1.00 11.04 C ATOM 145 N ALA A 17 -1.784 -4.182 21.655 1.00 8.35 N ATOM 146 CA ALA A 17 -1.895 -5.443 22.383 1.00 9.01 C ATOM 147 C ALA A 17 -0.933 -5.540 23.575 1.00 10.38 C ATOM 148 O ALA A 17 -1.327 -5.984 24.657 1.00 8.76 O ATOM 149 CB ALA A 17 -1.662 -6.614 21.431 1.00 17.43 C ATOM 150 N GLU A 18 0.322 -5.139 23.383 1.00 11.34 N ATOM 151 CA GLU A 18 1.298 -5.209 24.471 1.00 12.34 C ATOM 152 C GLU A 18 1.001 -4.176 25.550 1.00 10.86 C ATOM 153 O GLU A 18 1.143 -4.459 26.741 1.00 8.35 O ATOM 154 CB GLU A 18 2.729 -5.047 23.934 1.00 14.46 C ATOM 155 CG GLU A 18 3.088 -6.145 22.938 1.00 15.83 C ATOM 156 CD GLU A 18 4.544 -6.148 22.524 1.00 16.72 C ATOM 157 OE1 GLU A 18 5.107 -5.061 22.283 1.00 18.96 O ATOM 158 OE2 GLU A 18 5.119 -7.251 22.418 1.00 20.22 O ATOM 159 N LYS A 19 0.593 -2.980 25.143 1.00 12.80 N ATOM 160 CA LYS A 19 0.255 -1.964 26.133 1.00 14.93 C ATOM 161 C LYS A 19 -1.030 -2.421 26.822 1.00 13.17 C ATOM 162 O LYS A 19 -1.219 -2.211 28.022 1.00 11.93 O ATOM 163 CB LYS A 19 0.045 -0.601 25.471 1.00 17.86 C ATOM 164 CG LYS A 19 1.341 0.084 25.049 1.00 23.78 C ATOM 165 CD LYS A 19 1.071 1.473 24.499 1.00 26.22 C ATOM 166 CE LYS A 19 0.298 2.318 25.502 1.00 26.57 C ATOM 167 NZ LYS A 19 1.013 2.451 26.817 1.00 30.67 N ATOM 168 N GLY A 20 -1.907 -3.061 26.054 1.00 8.91 N ATOM 169 CA GLY A 20 -3.152 -3.548 26.617 1.00 9.47 C ATOM 170 C GLY A 20 -2.910 -4.588 27.697 1.00 9.59 C ATOM 171 O GLY A 20 -3.571 -4.586 28.733 1.00 8.97 O ATOM 172 N ALA A 21 -1.957 -5.482 27.449 1.00 13.25 N ATOM 173 CA ALA A 21 -1.607 -6.533 28.397 1.00 13.32 C ATOM 174 C ALA A 21 -1.121 -5.945 29.725 1.00 14.61 C ATOM 175 O ALA A 21 -1.469 -6.438 30.810 1.00 12.72 O ATOM 176 CB ALA A 21 -0.530 -7.416 27.800 1.00 21.63 C ATOM 177 N ASP A 22 -0.291 -4.910 29.639 1.00 12.52 N ATOM 178 CA ASP A 22 0.218 -4.253 30.842 1.00 12.67 C ATOM 179 C ASP A 22 -0.914 -3.555 31.576 1.00 12.16 C ATOM 180 O ASP A 22 -0.955 -3.550 32.806 1.00 10.69 O ATOM 181 CB ASP A 22 1.274 -3.214 30.484 1.00 23.18 C ATOM 182 CG ASP A 22 2.671 -3.793 30.434 1.00 26.88 C ATOM 183 OD1 ASP A 22 2.831 -5.024 30.642 1.00 26.48 O ATOM 184 OD2 ASP A 22 3.605 -3.002 30.189 1.00 28.96 O ATOM 185 N ARG A 23 -1.827 -2.948 30.821 1.00 10.82 N ATOM 186 CA ARG A 23 -2.939 -2.250 31.443 1.00 11.29 C ATOM 187 C ARG A 23 -3.814 -3.263 32.183 1.00 10.46 C ATOM 188 O ARG A 23 -4.277 -3.003 33.295 1.00 12.22 O ATOM 189 CB ARG A 23 -3.761 -1.495 30.392 1.00 8.57 C ATOM 190 CG ARG A 23 -4.857 -0.619 31.001 1.00 11.25 C ATOM 191 CD ARG A 23 -5.709 0.069 29.930 1.00 11.84 C ATOM 192 NE ARG A 23 -4.893 0.943 29.098 1.00 11.67 N ATOM 193 CZ ARG A 23 -4.533 0.665 27.848 1.00 11.99 C ATOM 194 NH1 ARG A 23 -4.931 -0.462 27.269 1.00 8.96 N ATOM 195 NH2 ARG A 23 -3.752 1.509 27.188 1.00 14.38 N ATOM 196 N TYR A 24 -4.016 -4.423 31.564 1.00 11.35 N ATOM 197 CA TYR A 24 -4.826 -5.494 32.138 1.00 12.93 C ATOM 198 C TYR A 24 -4.266 -5.955 33.479 1.00 13.74 C ATOM 199 O TYR A 24 -4.989 -6.014 34.473 1.00 13.29 O ATOM 200 CB TYR A 24 -4.875 -6.684 31.173 1.00 16.92 C ATOM 201 CG TYR A 24 -5.532 -7.926 31.736 1.00 16.86 C ATOM 202 CD1 TYR A 24 -6.924 -8.052 31.793 1.00 15.38 C ATOM 203 CD2 TYR A 24 -4.759 -8.972 32.225 1.00 16.03 C ATOM 204 CE1 TYR A 24 -7.522 -9.196 32.327 1.00 17.38 C ATOM 205 CE2 TYR A 24 -5.344 -10.114 32.759 1.00 16.78 C ATOM 206 CZ TYR A 24 -6.723 -10.223 32.810 1.00 18.64 C ATOM 207 OH TYR A 24 -7.294 -11.358 33.362 1.00 16.96 O ATOM 208 N GLN A 25 -2.975 -6.276 33.494 1.00 18.80 N ATOM 209 CA GLN A 25 -2.303 -6.739 34.701 1.00 19.96 C ATOM 210 C GLN A 25 -2.346 -5.674 35.784 1.00 20.20 C ATOM 211 O GLN A 25 -2.586 -5.981 36.949 1.00 19.85 O ATOM 212 CB GLN A 25 -0.848 -7.101 34.389 1.00 25.75 C ATOM 213 CG GLN A 25 0.020 -7.311 35.623 1.00 30.20 C ATOM 214 CD GLN A 25 1.459 -7.687 35.282 1.00 33.36 C ATOM 215 OE1 GLN A 25 2.062 -7.131 34.359 1.00 35.25 O ATOM 216 NE2 GLN A 25 2.019 -8.623 36.041 1.00 36.07 N ATOM 217 N GLU A 26 -2.117 -4.420 35.409 1.00 14.91 N ATOM 218 CA GLU A 26 -2.150 -3.352 36.404 1.00 16.71 C ATOM 219 C GLU A 26 -3.560 -3.221 36.974 1.00 14.68 C ATOM 220 O GLU A 26 -3.738 -2.950 38.158 1.00 15.90 O ATOM 221 CB GLU A 26 -1.702 -2.020 35.793 1.00 17.23 C ATOM 222 CG GLU A 26 -1.659 -0.876 36.798 1.00 23.86 C ATOM 223 CD GLU A 26 -0.883 -1.240 38.060 1.00 27.33 C ATOM 224 OE1 GLU A 26 0.298 -1.644 37.942 1.00 27.96 O ATOM 225 OE2 GLU A 26 -1.457 -1.122 39.169 1.00 27.27 O ATOM 226 N GLY A 27 -4.559 -3.428 36.125 1.00 13.43 N ATOM 227 CA GLY A 27 -5.937 -3.342 36.576 1.00 15.92 C ATOM 228 C GLY A 27 -6.313 -4.462 37.531 1.00 18.04 C ATOM 229 O GLY A 27 -7.127 -4.270 38.433 1.00 16.62 O ATOM 230 N LYS A 28 -5.737 -5.642 37.332 1.00 23.78 N ATOM 231 CA LYS A 28 -6.035 -6.772 38.205 1.00 28.01 C ATOM 232 C LYS A 28 -5.383 -6.572 39.565 1.00 30.59 C ATOM 233 O LYS A 28 -5.991 -6.848 40.603 1.00 31.02 O ATOM 234 CB LYS A 28 -5.524 -8.076 37.592 1.00 21.29 C ATOM 235 CG LYS A 28 -6.375 -8.601 36.451 1.00 21.01 C ATOM 236 CD LYS A 28 -7.723 -9.078 36.955 1.00 20.52 C ATOM 237 CE LYS A 28 -8.441 -9.879 35.880 1.00 20.25 C ATOM 238 NZ LYS A 28 -9.651 -10.558 36.413 1.00 15.81 N ATOM 239 N ASN A 29 -4.145 -6.087 39.544 1.00 24.78 N ATOM 240 CA ASN A 29 -3.379 -5.857 40.769 1.00 27.22 C ATOM 241 C ASN A 29 -3.964 -4.743 41.629 1.00 26.15 C ATOM 242 O ASN A 29 -4.211 -4.929 42.818 1.00 26.21 O ATOM 243 CB ASN A 29 -1.926 -5.524 40.419 1.00 35.09 C ATOM 244 CG ASN A 29 -1.204 -6.684 39.755 1.00 36.90 C ATOM 245 OD1 ASN A 29 -0.072 -6.542 39.291 1.00 39.71 O ATOM 246 ND2 ASN A 29 -1.856 -7.845 39.713 1.00 39.33 N ATOM 247 N SER A 30 -4.173 -3.585 41.017 1.00 30.31 N ATOM 248 CA SER A 30 -4.716 -2.427 41.709 1.00 29.07 C ATOM 249 C SER A 30 -5.686 -1.739 40.765 1.00 28.93 C ATOM 250 O SER A 30 -5.313 -0.829 40.025 1.00 28.08 O ATOM 251 CB SER A 30 -3.586 -1.469 42.093 1.00 43.35 C ATOM 252 OG SER A 30 -4.063 -0.420 42.916 1.00 46.07 O ATOM 253 N ASN A 31 -6.937 -2.187 40.808 1.00 31.91 N ATOM 254 CA ASN A 31 -7.994 -1.671 39.952 1.00 29.66 C ATOM 255 C ASN A 31 -8.148 -0.158 39.886 1.00 29.04 C ATOM 256 O ASN A 31 -7.993 0.536 40.894 1.00 30.13 O ATOM 257 CB ASN A 31 -9.337 -2.262 40.376 1.00 25.82 C ATOM 258 CG ASN A 31 -10.480 -1.720 39.561 1.00 26.28 C ATOM 259 OD1 ASN A 31 -10.798 -2.243 38.491 1.00 27.10 O ATOM 260 ND2 ASN A 31 -11.092 -0.642 40.044 1.00 27.93 N ATOM 261 N HIS A 32 -8.471 0.328 38.686 1.00 18.29 N ATOM 262 CA HIS A 32 -8.726 1.745 38.415 1.00 15.81 C ATOM 263 C HIS A 32 -9.958 1.813 37.511 1.00 15.97 C ATOM 264 O HIS A 32 -10.036 1.119 36.498 1.00 16.38 O ATOM 265 CB HIS A 32 -7.552 2.419 37.694 1.00 14.83 C ATOM 266 CG HIS A 32 -7.875 3.791 37.186 1.00 13.57 C ATOM 267 ND1 HIS A 32 -8.276 4.033 35.889 1.00 12.70 N ATOM 268 CD2 HIS A 32 -7.916 4.988 37.820 1.00 12.61 C ATOM 269 CE1 HIS A 32 -8.550 5.319 35.746 1.00 11.06 C ATOM 270 NE2 HIS A 32 -8.340 5.920 36.903 1.00 12.98 N ATOM 271 N SER A 33 -10.922 2.646 37.870 1.00 16.64 N ATOM 272 CA SER A 33 -12.127 2.754 37.057 1.00 17.54 C ATOM 273 C SER A 33 -11.930 3.672 35.845 1.00 15.96 C ATOM 274 O SER A 33 -11.930 4.897 35.971 1.00 14.29 O ATOM 275 CB SER A 33 -13.285 3.253 37.913 1.00 17.27 C ATOM 276 OG SER A 33 -13.566 2.330 38.953 1.00 20.94 O ATOM 277 N TYR A 34 -11.749 3.075 34.669 1.00 16.74 N ATOM 278 CA TYR A 34 -11.565 3.870 33.449 1.00 15.84 C ATOM 279 C TYR A 34 -12.909 4.417 33.006 1.00 15.90 C ATOM 280 O TYR A 34 -13.932 3.749 33.159 1.00 15.97 O ATOM 281 CB TYR A 34 -10.972 3.013 32.333 1.00 11.42 C ATOM 282 CG TYR A 34 -9.491 2.795 32.490 1.00 12.85 C ATOM 283 CD1 TYR A 34 -8.584 3.800 32.152 1.00 16.43 C ATOM 284 CD2 TYR A 34 -8.991 1.602 33.001 1.00 9.92 C ATOM 285 CE1 TYR A 34 -7.209 3.622 32.316 1.00 16.08 C ATOM 286 CE2 TYR A 34 -7.604 1.417 33.174 1.00 13.48 C ATOM 287 CZ TYR A 34 -6.730 2.432 32.826 1.00 14.78 C ATOM 288 OH TYR A 34 -5.371 2.269 32.977 1.00 18.54 O ATOM 289 N ASP A 35 -12.915 5.631 32.462 1.00 12.77 N ATOM 290 CA ASP A 35 -14.168 6.238 32.021 1.00 11.75 C ATOM 291 C ASP A 35 -14.722 5.542 30.785 1.00 10.19 C ATOM 292 O ASP A 35 -14.011 5.387 29.786 1.00 8.92 O ATOM 293 CB ASP A 35 -13.967 7.707 31.701 1.00 12.94 C ATOM 294 CG ASP A 35 -15.276 8.426 31.534 1.00 12.58 C ATOM 295 OD1 ASP A 35 -15.845 8.847 32.552 1.00 13.51 O ATOM 296 OD2 ASP A 35 -15.750 8.544 30.393 1.00 15.44 O ATOM 297 N PHE A 36 -15.995 5.164 30.821 1.00 9.74 N ATOM 298 CA PHE A 36 -16.565 4.460 29.672 1.00 13.12 C ATOM 299 C PHE A 36 -16.685 5.250 28.365 1.00 12.20 C ATOM 300 O PHE A 36 -16.137 4.846 27.341 1.00 11.30 O ATOM 301 CB PHE A 36 -17.942 3.889 29.992 1.00 11.43 C ATOM 302 CG PHE A 36 -18.428 2.922 28.952 1.00 14.03 C ATOM 303 CD1 PHE A 36 -17.935 1.620 28.920 1.00 13.60 C ATOM 304 CD2 PHE A 36 -19.296 3.335 27.944 1.00 13.33 C ATOM 305 CE1 PHE A 36 -18.294 0.742 27.892 1.00 14.83 C ATOM 306 CE2 PHE A 36 -19.658 2.471 26.917 1.00 15.40 C ATOM 307 CZ PHE A 36 -19.153 1.172 26.891 1.00 12.62 C ATOM 308 N PHE A 37 -17.419 6.358 28.380 1.00 11.89 N ATOM 309 CA PHE A 37 -17.598 7.134 27.153 1.00 11.98 C ATOM 310 C PHE A 37 -16.390 7.938 26.700 1.00 13.77 C ATOM 311 O PHE A 37 -16.244 8.201 25.508 1.00 13.41 O ATOM 312 CB PHE A 37 -18.807 8.069 27.286 1.00 12.90 C ATOM 313 CG PHE A 37 -20.119 7.343 27.339 1.00 11.59 C ATOM 314 CD1 PHE A 37 -20.665 6.787 26.187 1.00 10.33 C ATOM 315 CD2 PHE A 37 -20.779 7.163 28.548 1.00 12.18 C ATOM 316 CE1 PHE A 37 -21.847 6.052 26.232 1.00 11.71 C ATOM 317 CE2 PHE A 37 -21.965 6.425 28.612 1.00 14.39 C ATOM 318 CZ PHE A 37 -22.501 5.869 27.448 1.00 12.84 C ATOM 319 N GLU A 38 -15.528 8.332 27.637 1.00 17.84 N ATOM 320 CA GLU A 38 -14.351 9.132 27.291 1.00 18.96 C ATOM 321 C GLU A 38 -13.079 8.342 26.998 1.00 17.78 C ATOM 322 O GLU A 38 -12.163 8.861 26.356 1.00 16.91 O ATOM 323 CB GLU A 38 -14.046 10.135 28.410 1.00 25.57 C ATOM 324 CG GLU A 38 -15.112 11.198 28.570 1.00 30.07 C ATOM 325 CD GLU A 38 -15.317 11.975 27.289 1.00 32.61 C ATOM 326 OE1 GLU A 38 -14.366 12.669 26.860 1.00 36.71 O ATOM 327 OE2 GLU A 38 -16.418 11.888 26.708 1.00 35.08 O ATOM 328 N THR A 39 -13.011 7.097 27.458 1.00 11.44 N ATOM 329 CA THR A 39 -11.800 6.316 27.236 1.00 12.00 C ATOM 330 C THR A 39 -12.024 4.928 26.623 1.00 10.97 C ATOM 331 O THR A 39 -11.496 4.626 25.548 1.00 10.59 O ATOM 332 CB THR A 39 -11.003 6.164 28.559 1.00 15.35 C ATOM 333 OG1 THR A 39 -10.679 7.463 29.079 1.00 14.35 O ATOM 334 CG2 THR A 39 -9.707 5.395 28.325 1.00 14.09 C ATOM 335 N ILE A 40 -12.810 4.101 27.302 1.00 7.71 N ATOM 336 CA ILE A 40 -13.078 2.730 26.866 1.00 7.45 C ATOM 337 C ILE A 40 -13.737 2.619 25.488 1.00 6.83 C ATOM 338 O ILE A 40 -13.165 2.051 24.559 1.00 6.70 O ATOM 339 CB ILE A 40 -13.955 2.001 27.911 1.00 13.46 C ATOM 340 CG1 ILE A 40 -13.231 1.988 29.265 1.00 16.20 C ATOM 341 CG2 ILE A 40 -14.251 0.567 27.453 1.00 13.05 C ATOM 342 CD1 ILE A 40 -14.026 1.356 30.395 1.00 16.25 C ATOM 343 N LYS A 41 -14.935 3.170 25.364 1.00 10.52 N ATOM 344 CA LYS A 41 -15.675 3.135 24.113 1.00 11.50 C ATOM 345 C LYS A 41 -14.842 3.665 22.942 1.00 11.36 C ATOM 346 O LYS A 41 -14.765 3.025 21.898 1.00 12.68 O ATOM 347 CB LYS A 41 -16.976 3.931 24.280 1.00 14.05 C ATOM 348 CG LYS A 41 -17.918 3.906 23.093 1.00 17.80 C ATOM 349 CD LYS A 41 -19.269 4.529 23.457 1.00 17.93 C ATOM 350 CE LYS A 41 -20.176 4.677 22.230 1.00 18.03 C ATOM 351 NZ LYS A 41 -19.671 5.707 21.278 1.00 23.82 N ATOM 352 N PRO A 42 -14.196 4.835 23.098 1.00 9.27 N ATOM 353 CA PRO A 42 -13.397 5.335 21.974 1.00 9.75 C ATOM 354 C PRO A 42 -12.183 4.465 21.659 1.00 8.79 C ATOM 355 O PRO A 42 -11.733 4.422 20.515 1.00 10.35 O ATOM 356 CB PRO A 42 -12.996 6.734 22.421 1.00 22.79 C ATOM 357 CG PRO A 42 -12.963 6.619 23.914 1.00 24.89 C ATOM 358 CD PRO A 42 -14.196 5.805 24.206 1.00 21.42 C ATOM 359 N ALA A 43 -11.653 3.775 22.664 1.00 13.26 N ATOM 360 CA ALA A 43 -10.492 2.926 22.438 1.00 13.29 C ATOM 361 C ALA A 43 -10.935 1.736 21.607 1.00 12.20 C ATOM 362 O ALA A 43 -10.228 1.316 20.695 1.00 13.34 O ATOM 363 CB ALA A 43 -9.893 2.457 23.755 1.00 12.08 C ATOM 364 N VAL A 44 -12.111 1.197 21.918 1.00 7.07 N ATOM 365 CA VAL A 44 -12.630 0.061 21.159 1.00 6.75 C ATOM 366 C VAL A 44 -12.980 0.492 19.737 1.00 7.24 C ATOM 367 O VAL A 44 -12.641 -0.193 18.764 1.00 7.95 O ATOM 368 CB VAL A 44 -13.883 -0.541 21.833 1.00 14.29 C ATOM 369 CG1 VAL A 44 -14.494 -1.614 20.941 1.00 15.43 C ATOM 370 CG2 VAL A 44 -13.505 -1.150 23.190 1.00 16.23 C ATOM 371 N GLU A 45 -13.647 1.634 19.613 1.00 10.31 N ATOM 372 CA GLU A 45 -14.046 2.136 18.297 1.00 14.17 C ATOM 373 C GLU A 45 -12.830 2.364 17.408 1.00 12.23 C ATOM 374 O GLU A 45 -12.789 1.892 16.277 1.00 14.54 O ATOM 375 CB GLU A 45 -14.852 3.440 18.429 1.00 19.02 C ATOM 376 CG GLU A 45 -16.116 3.311 19.282 1.00 25.66 C ATOM 377 CD GLU A 45 -16.821 4.645 19.516 1.00 26.34 C ATOM 378 OE1 GLU A 45 -16.125 5.678 19.657 1.00 25.68 O ATOM 379 OE2 GLU A 45 -18.071 4.658 19.584 1.00 26.10 O ATOM 380 N GLU A 46 -11.829 3.067 17.925 1.00 14.98 N ATOM 381 CA GLU A 46 -10.620 3.345 17.151 1.00 15.57 C ATOM 382 C GLU A 46 -9.911 2.053 16.736 1.00 15.40 C ATOM 383 O GLU A 46 -9.462 1.900 15.594 1.00 13.46 O ATOM 384 CB GLU A 46 -9.680 4.214 17.978 1.00 24.13 C ATOM 385 CG GLU A 46 -10.158 5.653 18.107 1.00 31.10 C ATOM 386 CD GLU A 46 -9.514 6.395 19.259 1.00 35.20 C ATOM 387 OE1 GLU A 46 -8.345 6.091 19.587 1.00 37.54 O ATOM 388 OE2 GLU A 46 -10.177 7.298 19.825 1.00 36.57 O ATOM 389 N ASN A 47 -9.818 1.116 17.667 1.00 11.51 N ATOM 390 CA ASN A 47 -9.149 -0.138 17.375 1.00 13.37 C ATOM 391 C ASN A 47 -9.964 -1.030 16.464 1.00 12.32 C ATOM 392 O ASN A 47 -9.421 -1.866 15.725 1.00 13.37 O ATOM 393 CB ASN A 47 -8.762 -0.810 18.687 1.00 11.10 C ATOM 394 CG ASN A 47 -7.509 -0.203 19.260 1.00 13.39 C ATOM 395 OD1 ASN A 47 -6.468 -0.217 18.607 1.00 10.25 O ATOM 396 ND2 ASN A 47 -7.595 0.359 20.465 1.00 14.97 N ATOM 397 N ASP A 48 -11.270 -0.810 16.474 1.00 11.18 N ATOM 398 CA ASP A 48 -12.159 -1.550 15.611 1.00 11.31 C ATOM 399 C ASP A 48 -11.839 -1.124 14.180 1.00 11.44 C ATOM 400 O ASP A 48 -11.738 -1.967 13.283 1.00 8.83 O ATOM 401 CB ASP A 48 -13.613 -1.223 15.945 1.00 16.83 C ATOM 402 CG ASP A 48 -14.592 -1.919 15.024 1.00 22.62 C ATOM 403 OD1 ASP A 48 -14.790 -1.429 13.893 1.00 27.15 O ATOM 404 OD2 ASP A 48 -15.154 -2.962 15.423 1.00 24.23 O ATOM 405 N GLU A 49 -11.675 0.185 13.971 1.00 10.69 N ATOM 406 CA GLU A 49 -11.358 0.717 12.644 1.00 14.39 C ATOM 407 C GLU A 49 -10.003 0.215 12.188 1.00 13.58 C ATOM 408 O GLU A 49 -9.833 -0.194 11.039 1.00 15.00 O ATOM 409 CB GLU A 49 -11.330 2.246 12.652 1.00 35.30 C ATOM 410 CG GLU A 49 -12.665 2.909 12.911 1.00 46.30 C ATOM 411 CD GLU A 49 -12.550 4.426 12.956 1.00 51.73 C ATOM 412 OE1 GLU A 49 -12.087 5.022 11.955 1.00 54.08 O ATOM 413 OE2 GLU A 49 -12.919 5.021 13.994 1.00 55.96 O ATOM 414 N LEU A 50 -9.032 0.263 13.092 1.00 11.12 N ATOM 415 CA LEU A 50 -7.683 -0.200 12.795 1.00 10.98 C ATOM 416 C LEU A 50 -7.692 -1.680 12.385 1.00 10.38 C ATOM 417 O LEU A 50 -7.129 -2.043 11.358 1.00 10.48 O ATOM 418 CB LEU A 50 -6.790 -0.001 14.023 1.00 14.99 C ATOM 419 CG LEU A 50 -5.361 -0.555 14.016 1.00 14.38 C ATOM 420 CD1 LEU A 50 -4.624 -0.096 12.776 1.00 14.76 C ATOM 421 CD2 LEU A 50 -4.638 -0.086 15.283 1.00 13.39 C ATOM 422 N ALA A 51 -8.341 -2.520 13.189 1.00 12.80 N ATOM 423 CA ALA A 51 -8.405 -3.955 12.927 1.00 13.63 C ATOM 424 C ALA A 51 -9.051 -4.289 11.585 1.00 14.17 C ATOM 425 O ALA A 51 -8.590 -5.187 10.881 1.00 15.34 O ATOM 426 CB ALA A 51 -9.159 -4.669 14.059 1.00 9.77 C ATOM 427 N ALA A 52 -10.112 -3.566 11.235 1.00 14.23 N ATOM 428 CA ALA A 52 -10.823 -3.798 9.975 1.00 16.22 C ATOM 429 C ALA A 52 -9.962 -3.468 8.757 1.00 17.61 C ATOM 430 O ALA A 52 -9.893 -4.245 7.803 1.00 18.05 O ATOM 431 CB ALA A 52 -12.123 -2.975 9.950 1.00 28.76 C ATOM 432 N ARG A 53 -9.299 -2.316 8.791 1.00 18.85 N ATOM 433 CA ARG A 53 -8.438 -1.895 7.687 1.00 18.51 C ATOM 434 C ARG A 53 -7.236 -2.827 7.553 1.00 17.95 C ATOM 435 O ARG A 53 -6.771 -3.101 6.447 1.00 17.27 O ATOM 436 CB ARG A 53 -7.959 -0.462 7.924 1.00 48.95 C ATOM 437 CG ARG A 53 -9.105 0.529 8.049 1.00 54.33 C ATOM 438 CD ARG A 53 -8.642 1.873 8.557 1.00 59.43 C ATOM 439 NE ARG A 53 -9.785 2.725 8.874 1.00 63.94 N ATOM 440 CZ ARG A 53 -9.694 3.938 9.410 1.00 65.50 C ATOM 441 NH1 ARG A 53 -8.503 4.452 9.694 1.00 66.70 N ATOM 442 NH2 ARG A 53 -10.796 4.638 9.665 1.00 66.75 N ATOM 443 N TRP A 54 -6.736 -3.304 8.688 1.00 13.96 N ATOM 444 CA TRP A 54 -5.596 -4.211 8.703 1.00 13.63 C ATOM 445 C TRP A 54 -5.993 -5.526 8.038 1.00 13.56 C ATOM 446 O TRP A 54 -5.300 -6.008 7.149 1.00 14.83 O ATOM 447 CB TRP A 54 -5.152 -4.482 10.143 1.00 10.98 C ATOM 448 CG TRP A 54 -4.059 -5.483 10.235 1.00 10.26 C ATOM 449 CD1 TRP A 54 -2.723 -5.268 10.036 1.00 9.26 C ATOM 450 CD2 TRP A 54 -4.205 -6.876 10.525 1.00 9.59 C ATOM 451 NE1 TRP A 54 -2.030 -6.445 10.189 1.00 8.29 N ATOM 452 CE2 TRP A 54 -2.917 -7.448 10.488 1.00 11.19 C ATOM 453 CE3 TRP A 54 -5.305 -7.699 10.813 1.00 10.72 C ATOM 454 CZ2 TRP A 54 -2.693 -8.810 10.729 1.00 12.69 C ATOM 455 CZ3 TRP A 54 -5.088 -9.052 11.051 1.00 13.11 C ATOM 456 CH2 TRP A 54 -3.790 -9.594 11.008 1.00 13.52 C ATOM 457 N ALA A 55 -7.113 -6.097 8.483 1.00 11.39 N ATOM 458 CA ALA A 55 -7.607 -7.359 7.936 1.00 13.95 C ATOM 459 C ALA A 55 -7.794 -7.292 6.419 1.00 15.24 C ATOM 460 O ALA A 55 -7.380 -8.201 5.691 1.00 16.22 O ATOM 461 CB ALA A 55 -8.930 -7.748 8.613 1.00 13.13 C ATOM 462 N GLU A 56 -8.417 -6.220 5.941 1.00 18.77 N ATOM 463 CA GLU A 56 -8.632 -6.069 4.510 1.00 21.63 C ATOM 464 C GLU A 56 -7.289 -6.049 3.787 1.00 19.24 C ATOM 465 O GLU A 56 -7.145 -6.641 2.725 1.00 20.60 O ATOM 466 CB GLU A 56 -9.446 -4.793 4.216 1.00 33.50 C ATOM 467 CG GLU A 56 -8.878 -3.881 3.134 1.00 40.53 C ATOM 468 CD GLU A 56 -8.123 -2.688 3.716 1.00 46.16 C ATOM 469 OE1 GLU A 56 -8.753 -1.864 4.423 1.00 47.77 O ATOM 470 OE2 GLU A 56 -6.902 -2.573 3.470 1.00 47.45 O ATOM 471 N GLY A 57 -6.299 -5.382 4.372 1.00 22.48 N ATOM 472 CA GLY A 57 -4.988 -5.326 3.749 1.00 23.01 C ATOM 473 C GLY A 57 -4.296 -6.679 3.825 1.00 23.36 C ATOM 474 O GLY A 57 -3.665 -7.121 2.862 1.00 21.96 O ATOM 475 N ALA A 58 -4.418 -7.337 4.976 1.00 19.99 N ATOM 476 CA ALA A 58 -3.815 -8.652 5.178 1.00 19.11 C ATOM 477 C ALA A 58 -4.415 -9.634 4.183 1.00 21.07 C ATOM 478 O ALA A 58 -3.689 -10.392 3.538 1.00 22.73 O ATOM 479 CB ALA A 58 -4.059 -9.145 6.620 1.00 9.19 C ATOM 480 N LEU A 59 -5.738 -9.624 4.057 1.00 16.11 N ATOM 481 CA LEU A 59 -6.393 -10.524 3.117 1.00 17.37 C ATOM 482 C LEU A 59 -5.945 -10.244 1.679 1.00 19.13 C ATOM 483 O LEU A 59 -5.742 -11.174 0.893 1.00 19.12 O ATOM 484 CB LEU A 59 -7.908 -10.400 3.236 1.00 19.42 C ATOM 485 CG LEU A 59 -8.486 -10.955 4.541 1.00 17.71 C ATOM 486 CD1 LEU A 59 -9.968 -10.645 4.598 1.00 17.86 C ATOM 487 CD2 LEU A 59 -8.235 -12.470 4.623 1.00 18.35 C ATOM 488 N GLU A 60 -5.795 -8.968 1.332 1.00 20.05 N ATOM 489 CA GLU A 60 -5.338 -8.606 -0.010 1.00 22.65 C ATOM 490 C GLU A 60 -3.952 -9.217 -0.220 1.00 23.00 C ATOM 491 O GLU A 60 -3.672 -9.821 -1.255 1.00 21.47 O ATOM 492 CB GLU A 60 -5.241 -7.082 -0.165 1.00 39.98 C ATOM 493 CG GLU A 60 -6.579 -6.371 -0.302 1.00 45.98 C ATOM 494 CD GLU A 60 -6.421 -4.886 -0.571 1.00 48.44 C ATOM 495 OE1 GLU A 60 -5.652 -4.525 -1.492 1.00 50.37 O ATOM 496 OE2 GLU A 60 -7.071 -4.081 0.132 1.00 49.35 O ATOM 497 N LEU A 61 -3.100 -9.061 0.788 1.00 21.12 N ATOM 498 CA LEU A 61 -1.740 -9.580 0.750 1.00 21.83 C ATOM 499 C LEU A 61 -1.653 -11.066 0.409 1.00 22.68 C ATOM 500 O LEU A 61 -0.777 -11.479 -0.356 1.00 21.37 O ATOM 501 CB LEU A 61 -1.051 -9.354 2.100 1.00 22.88 C ATOM 502 CG LEU A 61 0.343 -9.979 2.259 1.00 24.08 C ATOM 503 CD1 LEU A 61 1.350 -9.168 1.469 1.00 24.47 C ATOM 504 CD2 LEU A 61 0.737 -10.015 3.732 1.00 26.68 C ATOM 505 N ILE A 62 -2.555 -11.868 0.973 1.00 19.51 N ATOM 506 CA ILE A 62 -2.532 -13.307 0.736 1.00 21.14 C ATOM 507 C ILE A 62 -3.189 -13.747 -0.561 1.00 22.67 C ATOM 508 O ILE A 62 -2.953 -14.862 -1.027 1.00 21.85 O ATOM 509 CB ILE A 62 -3.169 -14.087 1.912 1.00 30.87 C ATOM 510 CG1 ILE A 62 -4.675 -13.859 1.949 1.00 32.58 C ATOM 511 CG2 ILE A 62 -2.544 -13.636 3.225 1.00 31.55 C ATOM 512 CD1 ILE A 62 -5.389 -14.705 2.986 1.00 34.17 C ATOM 513 N LYS A 63 -4.013 -12.887 -1.150 1.00 30.01 N ATOM 514 CA LYS A 63 -4.659 -13.232 -2.410 1.00 33.00 C ATOM 515 C LYS A 63 -3.727 -12.996 -3.592 1.00 34.13 C ATOM 516 O LYS A 63 -3.627 -13.842 -4.477 1.00 35.07 O ATOM 517 CB LYS A 63 -5.953 -12.437 -2.599 1.00 46.75 C ATOM 518 CG LYS A 63 -7.203 -13.193 -2.162 1.00 49.15 C ATOM 519 CD LYS A 63 -8.472 -12.365 -2.351 1.00 50.90 C ATOM 520 CE LYS A 63 -8.688 -11.989 -3.811 1.00 51.74 C ATOM 521 NZ LYS A 63 -9.907 -11.147 -3.995 1.00 53.27 N ATOM 522 N VAL A 64 -3.041 -11.856 -3.601 1.00 27.55 N ATOM 523 CA VAL A 64 -2.119 -11.525 -4.684 1.00 30.21 C ATOM 524 C VAL A 64 -1.086 -12.633 -4.894 1.00 32.13 C ATOM 525 O VAL A 64 -0.897 -13.117 -6.014 1.00 32.48 O ATOM 526 CB VAL A 64 -1.389 -10.181 -4.412 1.00 41.40 C ATOM 527 CG1 VAL A 64 -0.883 -10.139 -2.986 1.00 42.46 C ATOM 528 CG2 VAL A 64 -0.226 -10.012 -5.380 1.00 41.41 C ATOM 529 N ARG A 65 -0.416 -13.021 -3.814 1.00 52.45 N ATOM 530 CA ARG A 65 0.584 -14.084 -3.847 1.00 53.79 C ATOM 531 C ARG A 65 0.305 -14.982 -2.655 1.00 54.37 C ATOM 532 O ARG A 65 0.197 -14.502 -1.529 1.00 56.16 O ATOM 533 CB ARG A 65 1.998 -13.507 -3.737 1.00 46.11 C ATOM 534 CG ARG A 65 2.522 -12.858 -5.011 1.00 47.79 C ATOM 535 CD ARG A 65 3.947 -12.348 -4.816 1.00 45.84 C ATOM 536 NE ARG A 65 3.989 -11.102 -4.053 1.00 46.58 N ATOM 537 CZ ARG A 65 3.789 -9.897 -4.578 1.00 45.71 C ATOM 538 NH1 ARG A 65 3.534 -9.766 -5.875 1.00 44.44 N ATOM 539 NH2 ARG A 65 3.845 -8.820 -3.804 1.00 46.68 N ATOM 540 N ARG A 66 0.180 -16.282 -2.896 1.00 56.17 N ATOM 541 CA ARG A 66 -0.098 -17.210 -1.811 1.00 55.76 C ATOM 542 C ARG A 66 1.053 -17.268 -0.812 1.00 55.12 C ATOM 543 O ARG A 66 2.109 -17.837 -1.089 1.00 54.58 O ATOM 544 CB ARG A 66 -0.395 -18.603 -2.366 1.00 56.92 C ATOM 545 CG ARG A 66 -1.638 -18.641 -3.242 1.00 59.62 C ATOM 546 CD ARG A 66 -2.197 -20.048 -3.360 1.00 61.16 C ATOM 547 NE ARG A 66 -3.425 -20.087 -4.148 1.00 63.85 N ATOM 548 CZ ARG A 66 -4.538 -19.424 -3.844 1.00 64.18 C ATOM 549 NH1 ARG A 66 -4.587 -18.660 -2.761 1.00 65.05 N ATOM 550 NH2 ARG A 66 -5.608 -19.529 -4.624 1.00 64.65 N ATOM 551 N PRO A 67 0.857 -16.667 0.369 1.00 32.58 N ATOM 552 CA PRO A 67 1.885 -16.654 1.409 1.00 31.32 C ATOM 553 C PRO A 67 2.183 -18.048 1.945 1.00 29.16 C ATOM 554 O PRO A 67 1.354 -18.953 1.862 1.00 28.36 O ATOM 555 CB PRO A 67 1.283 -15.739 2.466 1.00 54.86 C ATOM 556 CG PRO A 67 -0.164 -16.068 2.371 1.00 56.04 C ATOM 557 CD PRO A 67 -0.393 -16.069 0.870 1.00 56.22 C ATOM 558 N LYS A 68 3.373 -18.202 2.507 1.00 36.99 N ATOM 559 CA LYS A 68 3.820 -19.477 3.047 1.00 35.62 C ATOM 560 C LYS A 68 3.237 -19.827 4.422 1.00 33.61 C ATOM 561 O LYS A 68 2.776 -20.950 4.635 1.00 31.47 O ATOM 562 CB LYS A 68 5.351 -19.464 3.120 1.00 59.53 C ATOM 563 CG LYS A 68 6.005 -20.733 3.641 1.00 63.56 C ATOM 564 CD LYS A 68 5.977 -21.872 2.630 1.00 66.10 C ATOM 565 CE LYS A 68 4.751 -22.750 2.805 1.00 67.89 C ATOM 566 NZ LYS A 68 4.783 -23.927 1.888 1.00 69.12 N ATOM 567 N TYR A 69 3.234 -18.867 5.343 1.00 27.53 N ATOM 568 CA TYR A 69 2.758 -19.134 6.699 1.00 26.33 C ATOM 569 C TYR A 69 1.518 -18.417 7.236 1.00 26.23 C ATOM 570 O TYR A 69 1.249 -18.490 8.432 1.00 28.31 O ATOM 571 CB TYR A 69 3.899 -18.911 7.691 1.00 27.07 C ATOM 572 CG TYR A 69 5.140 -19.715 7.392 1.00 25.48 C ATOM 573 CD1 TYR A 69 5.060 -21.069 7.077 1.00 25.72 C ATOM 574 CD2 TYR A 69 6.401 -19.131 7.468 1.00 25.73 C ATOM 575 CE1 TYR A 69 6.206 -21.828 6.847 1.00 26.08 C ATOM 576 CE2 TYR A 69 7.554 -19.875 7.241 1.00 25.68 C ATOM 577 CZ TYR A 69 7.449 -21.225 6.931 1.00 26.98 C ATOM 578 OH TYR A 69 8.585 -21.964 6.710 1.00 27.08 O ATOM 579 N VAL A 70 0.760 -17.729 6.389 1.00 28.67 N ATOM 580 CA VAL A 70 -0.448 -17.055 6.870 1.00 28.07 C ATOM 581 C VAL A 70 -1.627 -17.335 5.945 1.00 26.74 C ATOM 582 O VAL A 70 -1.500 -17.230 4.727 1.00 24.85 O ATOM 583 CB VAL A 70 -0.254 -15.523 6.968 1.00 29.83 C ATOM 584 CG1 VAL A 70 0.090 -14.954 5.607 1.00 30.86 C ATOM 585 CG2 VAL A 70 -1.518 -14.869 7.502 1.00 30.96 C ATOM 586 N HIS A 71 -2.770 -17.692 6.529 1.00 23.99 N ATOM 587 CA HIS A 71 -3.968 -17.985 5.748 1.00 25.06 C ATOM 588 C HIS A 71 -5.191 -17.191 6.204 1.00 24.42 C ATOM 589 O HIS A 71 -5.198 -16.619 7.295 1.00 21.58 O ATOM 590 CB HIS A 71 -4.246 -19.486 5.793 1.00 25.08 C ATOM 591 CG HIS A 71 -3.134 -20.305 5.219 1.00 26.32 C ATOM 592 ND1 HIS A 71 -2.756 -20.216 3.896 1.00 27.27 N ATOM 593 CD2 HIS A 71 -2.275 -21.174 5.799 1.00 25.78 C ATOM 594 CE1 HIS A 71 -1.709 -20.993 3.685 1.00 25.91 C ATOM 595 NE2 HIS A 71 -1.395 -21.585 4.824 1.00 27.54 N ATOM 596 N LYS A 72 -6.224 -17.175 5.363 1.00 20.34 N ATOM 597 CA LYS A 72 -7.454 -16.425 5.623 1.00 20.24 C ATOM 598 C LYS A 72 -8.103 -16.578 7.006 1.00 18.66 C ATOM 599 O LYS A 72 -8.366 -15.581 7.689 1.00 17.02 O ATOM 600 CB LYS A 72 -8.491 -16.762 4.543 1.00 39.10 C ATOM 601 CG LYS A 72 -9.659 -15.783 4.475 1.00 43.21 C ATOM 602 CD LYS A 72 -10.797 -16.309 3.603 1.00 49.03 C ATOM 603 CE LYS A 72 -11.537 -17.464 4.280 1.00 50.57 C ATOM 604 NZ LYS A 72 -12.782 -17.843 3.543 1.00 53.06 N ATOM 605 N GLU A 73 -8.386 -17.813 7.413 1.00 15.36 N ATOM 606 CA GLU A 73 -9.032 -18.047 8.703 1.00 15.96 C ATOM 607 C GLU A 73 -8.275 -17.395 9.852 1.00 13.60 C ATOM 608 O GLU A 73 -8.868 -16.869 10.791 1.00 11.15 O ATOM 609 CB GLU A 73 -9.159 -19.548 8.975 1.00 30.99 C ATOM 610 CG GLU A 73 -9.975 -20.295 7.946 1.00 36.66 C ATOM 611 CD GLU A 73 -9.176 -20.678 6.715 1.00 40.37 C ATOM 612 OE1 GLU A 73 -8.001 -20.255 6.587 1.00 39.85 O ATOM 613 OE2 GLU A 73 -9.735 -21.408 5.873 1.00 43.12 O ATOM 614 N GLN A 74 -6.955 -17.449 9.766 1.00 16.70 N ATOM 615 CA GLN A 74 -6.081 -16.881 10.778 1.00 17.91 C ATOM 616 C GLN A 74 -6.293 -15.366 10.832 1.00 15.90 C ATOM 617 O GLN A 74 -6.463 -14.790 11.905 1.00 16.15 O ATOM 618 CB GLN A 74 -4.644 -17.234 10.403 1.00 23.53 C ATOM 619 CG GLN A 74 -3.548 -16.814 11.336 1.00 27.32 C ATOM 620 CD GLN A 74 -2.221 -17.384 10.869 1.00 30.41 C ATOM 621 OE1 GLN A 74 -1.969 -17.482 9.663 1.00 30.82 O ATOM 622 NE2 GLN A 74 -1.367 -17.764 11.811 1.00 30.42 N ATOM 623 N ILE A 75 -6.309 -14.733 9.666 1.00 13.43 N ATOM 624 CA ILE A 75 -6.502 -13.290 9.600 1.00 14.54 C ATOM 625 C ILE A 75 -7.865 -12.912 10.161 1.00 14.21 C ATOM 626 O ILE A 75 -7.970 -12.025 11.005 1.00 15.16 O ATOM 627 CB ILE A 75 -6.386 -12.768 8.148 1.00 15.30 C ATOM 628 CG1 ILE A 75 -4.948 -12.950 7.643 1.00 16.16 C ATOM 629 CG2 ILE A 75 -6.765 -11.287 8.092 1.00 13.88 C ATOM 630 CD1 ILE A 75 -3.915 -12.223 8.489 1.00 19.12 C ATOM 631 N GLU A 76 -8.901 -13.605 9.701 1.00 14.74 N ATOM 632 CA GLU A 76 -10.270 -13.337 10.145 1.00 16.85 C ATOM 633 C GLU A 76 -10.499 -13.457 11.658 1.00 16.01 C ATOM 634 O GLU A 76 -11.316 -12.728 12.224 1.00 15.58 O ATOM 635 CB GLU A 76 -11.241 -14.259 9.395 1.00 20.25 C ATOM 636 CG GLU A 76 -11.251 -14.039 7.885 1.00 24.67 C ATOM 637 CD GLU A 76 -12.196 -14.986 7.151 1.00 29.26 C ATOM 638 OE1 GLU A 76 -12.094 -16.217 7.352 1.00 30.67 O ATOM 639 OE2 GLU A 76 -13.035 -14.496 6.366 1.00 31.49 O ATOM 640 N ALA A 77 -9.771 -14.353 12.317 1.00 16.98 N ATOM 641 CA ALA A 77 -9.928 -14.556 13.758 1.00 15.81 C ATOM 642 C ALA A 77 -9.403 -13.422 14.655 1.00 15.78 C ATOM 643 O ALA A 77 -9.829 -13.290 15.806 1.00 16.54 O ATOM 644 CB ALA A 77 -9.264 -15.865 14.163 1.00 15.89 C ATOM 645 N VAL A 78 -8.477 -12.622 14.133 1.00 14.33 N ATOM 646 CA VAL A 78 -7.870 -11.523 14.889 1.00 14.96 C ATOM 647 C VAL A 78 -8.861 -10.496 15.453 1.00 15.60 C ATOM 648 O VAL A 78 -8.813 -10.150 16.638 1.00 14.18 O ATOM 649 CB VAL A 78 -6.826 -10.782 14.008 1.00 13.02 C ATOM 650 CG1 VAL A 78 -6.259 -9.566 14.757 1.00 12.55 C ATOM 651 CG2 VAL A 78 -5.692 -11.750 13.634 1.00 12.58 C ATOM 652 N LYS A 79 -9.750 -10.012 14.594 1.00 17.30 N ATOM 653 CA LYS A 79 -10.749 -9.011 14.965 1.00 17.43 C ATOM 654 C LYS A 79 -11.402 -9.223 16.332 1.00 16.01 C ATOM 655 O LYS A 79 -11.198 -8.431 17.252 1.00 15.30 O ATOM 656 CB LYS A 79 -11.834 -8.965 13.891 1.00 35.45 C ATOM 657 CG LYS A 79 -13.076 -8.162 14.244 1.00 40.11 C ATOM 658 CD LYS A 79 -14.167 -8.433 13.214 1.00 44.05 C ATOM 659 CE LYS A 79 -15.412 -7.602 13.456 1.00 46.24 C ATOM 660 NZ LYS A 79 -16.494 -7.975 12.497 1.00 46.57 N ATOM 661 N ASP A 80 -12.183 -10.289 16.467 1.00 15.05 N ATOM 662 CA ASP A 80 -12.877 -10.537 17.729 1.00 16.61 C ATOM 663 C ASP A 80 -11.958 -10.670 18.924 1.00 13.99 C ATOM 664 O ASP A 80 -12.267 -10.153 19.989 1.00 15.09 O ATOM 665 CB ASP A 80 -13.778 -11.771 17.624 1.00 19.45 C ATOM 666 CG ASP A 80 -14.854 -11.610 16.567 1.00 21.87 C ATOM 667 OD1 ASP A 80 -15.227 -10.452 16.280 1.00 19.54 O ATOM 668 OD2 ASP A 80 -15.330 -12.636 16.034 1.00 27.46 O ATOM 669 N ASN A 81 -10.826 -11.344 18.761 1.00 13.63 N ATOM 670 CA ASN A 81 -9.910 -11.499 19.888 1.00 13.89 C ATOM 671 C ASN A 81 -9.257 -10.161 20.243 1.00 11.84 C ATOM 672 O ASN A 81 -9.137 -9.814 21.418 1.00 12.10 O ATOM 673 CB ASN A 81 -8.826 -12.534 19.574 1.00 15.59 C ATOM 674 CG ASN A 81 -9.335 -13.963 19.661 1.00 16.97 C ATOM 675 OD1 ASN A 81 -10.116 -14.307 20.554 1.00 17.52 O ATOM 676 ND2 ASN A 81 -8.874 -14.807 18.749 1.00 16.90 N ATOM 677 N PHE A 82 -8.843 -9.415 19.224 1.00 8.16 N ATOM 678 CA PHE A 82 -8.208 -8.122 19.427 1.00 7.94 C ATOM 679 C PHE A 82 -9.143 -7.158 20.147 1.00 9.40 C ATOM 680 O PHE A 82 -8.734 -6.473 21.086 1.00 9.62 O ATOM 681 CB PHE A 82 -7.787 -7.539 18.080 1.00 7.07 C ATOM 682 CG PHE A 82 -7.096 -6.206 18.177 1.00 7.68 C ATOM 683 CD1 PHE A 82 -5.809 -6.103 18.706 1.00 9.45 C ATOM 684 CD2 PHE A 82 -7.726 -5.052 17.725 1.00 11.54 C ATOM 685 CE1 PHE A 82 -5.158 -4.859 18.778 1.00 10.75 C ATOM 686 CE2 PHE A 82 -7.081 -3.802 17.793 1.00 9.91 C ATOM 687 CZ PHE A 82 -5.796 -3.713 18.322 1.00 9.21 C ATOM 688 N LEU A 83 -10.400 -7.097 19.710 1.00 10.54 N ATOM 689 CA LEU A 83 -11.362 -6.203 20.354 1.00 12.73 C ATOM 690 C LEU A 83 -11.665 -6.626 21.784 1.00 11.38 C ATOM 691 O LEU A 83 -11.913 -5.781 22.646 1.00 12.19 O ATOM 692 CB LEU A 83 -12.660 -6.126 19.547 1.00 16.18 C ATOM 693 CG LEU A 83 -12.672 -5.144 18.372 1.00 20.61 C ATOM 694 CD1 LEU A 83 -11.500 -5.414 17.457 1.00 22.38 C ATOM 695 CD2 LEU A 83 -13.986 -5.282 17.618 1.00 20.87 C ATOM 696 N GLU A 84 -11.665 -7.927 22.051 1.00 10.64 N ATOM 697 CA GLU A 84 -11.910 -8.359 23.423 1.00 8.87 C ATOM 698 C GLU A 84 -10.707 -7.909 24.251 1.00 9.37 C ATOM 699 O GLU A 84 -10.865 -7.368 25.348 1.00 7.21 O ATOM 700 CB GLU A 84 -12.077 -9.873 23.516 1.00 12.62 C ATOM 701 CG GLU A 84 -12.058 -10.385 24.961 1.00 14.24 C ATOM 702 CD GLU A 84 -12.479 -11.835 25.115 1.00 16.11 C ATOM 703 OE1 GLU A 84 -12.241 -12.641 24.187 1.00 16.46 O ATOM 704 OE2 GLU A 84 -13.034 -12.166 26.189 1.00 14.55 O ATOM 705 N LEU A 85 -9.509 -8.126 23.706 1.00 10.46 N ATOM 706 CA LEU A 85 -8.268 -7.742 24.376 1.00 12.17 C ATOM 707 C LEU A 85 -8.312 -6.258 24.735 1.00 10.49 C ATOM 708 O LEU A 85 -7.973 -5.877 25.857 1.00 11.47 O ATOM 709 CB LEU A 85 -7.066 -8.069 23.470 1.00 12.97 C ATOM 710 CG LEU A 85 -5.724 -7.311 23.463 1.00 20.64 C ATOM 711 CD1 LEU A 85 -5.359 -6.744 24.830 1.00 18.33 C ATOM 712 CD2 LEU A 85 -4.646 -8.279 22.962 1.00 18.54 C ATOM 713 N VAL A 86 -8.756 -5.425 23.797 1.00 9.26 N ATOM 714 CA VAL A 86 -8.830 -3.993 24.063 1.00 8.51 C ATOM 715 C VAL A 86 -9.796 -3.661 25.202 1.00 7.62 C ATOM 716 O VAL A 86 -9.426 -2.984 26.162 1.00 6.72 O ATOM 717 CB VAL A 86 -9.230 -3.205 22.802 1.00 10.54 C ATOM 718 CG1 VAL A 86 -9.484 -1.739 23.165 1.00 10.80 C ATOM 719 CG2 VAL A 86 -8.110 -3.298 21.764 1.00 14.12 C ATOM 720 N LEU A 87 -11.029 -4.139 25.112 1.00 10.92 N ATOM 721 CA LEU A 87 -12.007 -3.871 26.170 1.00 9.13 C ATOM 722 C LEU A 87 -11.531 -4.373 27.532 1.00 8.09 C ATOM 723 O LEU A 87 -11.591 -3.658 28.546 1.00 9.28 O ATOM 724 CB LEU A 87 -13.345 -4.543 25.837 1.00 8.15 C ATOM 725 CG LEU A 87 -14.435 -4.424 26.916 1.00 11.40 C ATOM 726 CD1 LEU A 87 -14.730 -2.955 27.246 1.00 8.36 C ATOM 727 CD2 LEU A 87 -15.696 -5.135 26.425 1.00 11.69 C ATOM 728 N GLN A 88 -11.071 -5.616 27.565 1.00 9.39 N ATOM 729 CA GLN A 88 -10.638 -6.199 28.829 1.00 9.36 C ATOM 730 C GLN A 88 -9.417 -5.524 29.449 1.00 8.81 C ATOM 731 O GLN A 88 -9.214 -5.604 30.662 1.00 9.67 O ATOM 732 CB GLN A 88 -10.405 -7.696 28.650 1.00 11.18 C ATOM 733 CG GLN A 88 -11.683 -8.470 28.283 1.00 12.59 C ATOM 734 CD GLN A 88 -12.798 -8.309 29.308 1.00 13.98 C ATOM 735 OE1 GLN A 88 -12.560 -8.341 30.520 1.00 11.08 O ATOM 736 NE2 GLN A 88 -14.026 -8.146 28.825 1.00 13.12 N ATOM 737 N SER A 89 -8.611 -4.845 28.640 1.00 7.95 N ATOM 738 CA SER A 89 -7.447 -4.161 29.194 1.00 10.00 C ATOM 739 C SER A 89 -7.957 -3.085 30.156 1.00 9.09 C ATOM 740 O SER A 89 -7.302 -2.761 31.137 1.00 8.08 O ATOM 741 CB SER A 89 -6.589 -3.532 28.088 1.00 10.19 C ATOM 742 OG SER A 89 -7.216 -2.411 27.483 1.00 10.50 O ATOM 743 N TYR A 90 -9.147 -2.556 29.873 1.00 9.52 N ATOM 744 CA TYR A 90 -9.750 -1.523 30.715 1.00 10.89 C ATOM 745 C TYR A 90 -10.629 -2.061 31.833 1.00 9.76 C ATOM 746 O TYR A 90 -10.531 -1.592 32.961 1.00 9.73 O ATOM 747 CB TYR A 90 -10.582 -0.567 29.861 1.00 8.09 C ATOM 748 CG TYR A 90 -9.743 0.192 28.871 1.00 10.28 C ATOM 749 CD1 TYR A 90 -8.998 1.298 29.273 1.00 11.52 C ATOM 750 CD2 TYR A 90 -9.653 -0.227 27.547 1.00 10.85 C ATOM 751 CE1 TYR A 90 -8.176 1.973 28.377 1.00 10.50 C ATOM 752 CE2 TYR A 90 -8.836 0.437 26.642 1.00 11.45 C ATOM 753 CZ TYR A 90 -8.100 1.539 27.070 1.00 12.29 C ATOM 754 OH TYR A 90 -7.295 2.214 26.192 1.00 11.96 O ATOM 755 N VAL A 91 -11.479 -3.042 31.519 1.00 7.10 N ATOM 756 CA VAL A 91 -12.401 -3.604 32.511 1.00 8.06 C ATOM 757 C VAL A 91 -11.927 -4.896 33.194 1.00 9.55 C ATOM 758 O VAL A 91 -12.453 -5.283 34.240 1.00 8.01 O ATOM 759 CB VAL A 91 -13.803 -3.835 31.878 1.00 13.25 C ATOM 760 CG1 VAL A 91 -14.314 -2.530 31.295 1.00 12.29 C ATOM 761 CG2 VAL A 91 -13.730 -4.897 30.795 1.00 15.12 C ATOM 762 N HIS A 92 -10.945 -5.555 32.583 1.00 14.33 N ATOM 763 CA HIS A 92 -10.337 -6.784 33.105 1.00 16.53 C ATOM 764 C HIS A 92 -11.235 -7.773 33.849 1.00 17.07 C ATOM 765 O HIS A 92 -10.894 -8.230 34.943 1.00 18.14 O ATOM 766 CB HIS A 92 -9.153 -6.417 34.005 1.00 12.69 C ATOM 767 CG HIS A 92 -9.509 -5.493 35.131 1.00 15.31 C ATOM 768 ND1 HIS A 92 -10.169 -5.917 36.267 1.00 16.06 N ATOM 769 CD2 HIS A 92 -9.295 -4.167 35.293 1.00 14.74 C ATOM 770 CE1 HIS A 92 -10.343 -4.889 37.079 1.00 16.00 C ATOM 771 NE2 HIS A 92 -9.823 -3.816 36.512 1.00 14.50 N ATOM 772 N HIS A 93 -12.370 -8.123 33.263 1.00 19.30 N ATOM 773 CA HIS A 93 -13.255 -9.074 33.915 1.00 18.75 C ATOM 774 C HIS A 93 -12.785 -10.502 33.716 1.00 19.87 C ATOM 775 O HIS A 93 -12.807 -11.295 34.652 1.00 21.10 O ATOM 776 CB HIS A 93 -14.681 -8.934 33.385 1.00 14.65 C ATOM 777 CG HIS A 93 -15.337 -7.647 33.767 1.00 13.78 C ATOM 778 ND1 HIS A 93 -15.398 -7.206 35.073 1.00 11.72 N ATOM 779 CD2 HIS A 93 -15.979 -6.716 33.022 1.00 13.42 C ATOM 780 CE1 HIS A 93 -16.053 -6.058 35.115 1.00 12.58 C ATOM 781 NE2 HIS A 93 -16.417 -5.739 33.884 1.00 14.35 N ATOM 782 N ILE A 94 -12.352 -10.835 32.503 1.00 16.68 N ATOM 783 CA ILE A 94 -11.907 -12.201 32.231 1.00 16.70 C ATOM 784 C ILE A 94 -10.653 -12.555 33.031 1.00 16.75 C ATOM 785 O ILE A 94 -9.918 -11.670 33.454 1.00 17.36 O ATOM 786 CB ILE A 94 -11.652 -12.415 30.729 1.00 8.95 C ATOM 787 CG1 ILE A 94 -10.535 -11.498 30.241 1.00 10.69 C ATOM 788 CG2 ILE A 94 -12.937 -12.153 29.954 1.00 9.13 C ATOM 789 CD1 ILE A 94 -10.118 -11.801 28.815 1.00 10.52 C ATOM 790 N HIS A 95 -10.420 -13.848 33.244 1.00 21.43 N ATOM 791 CA HIS A 95 -9.265 -14.307 34.022 1.00 22.85 C ATOM 792 C HIS A 95 -7.943 -14.262 33.259 1.00 22.00 C ATOM 793 O HIS A 95 -7.924 -14.182 32.035 1.00 20.32 O ATOM 794 CB HIS A 95 -9.508 -15.727 34.537 1.00 23.19 C ATOM 795 CG HIS A 95 -10.695 -15.843 35.440 1.00 26.45 C ATOM 796 ND1 HIS A 95 -10.826 -15.096 36.591 1.00 27.02 N ATOM 797 CD2 HIS A 95 -11.814 -16.601 35.351 1.00 28.31 C ATOM 798 CE1 HIS A 95 -11.977 -15.387 37.172 1.00 29.94 C ATOM 799 NE2 HIS A 95 -12.596 -16.297 36.440 1.00 30.76 N ATOM 800 N LYS A 96 -6.846 -14.319 34.011 1.00 14.72 N ATOM 801 CA LYS A 96 -5.489 -14.262 33.467 1.00 16.46 C ATOM 802 C LYS A 96 -5.226 -15.211 32.303 1.00 14.82 C ATOM 803 O LYS A 96 -4.692 -14.801 31.280 1.00 13.24 O ATOM 804 CB LYS A 96 -4.462 -14.555 34.572 1.00 36.95 C ATOM 805 CG LYS A 96 -4.679 -13.792 35.881 1.00 43.44 C ATOM 806 CD LYS A 96 -4.469 -12.291 35.715 1.00 45.78 C ATOM 807 CE LYS A 96 -4.639 -11.549 37.034 1.00 47.66 C ATOM 808 NZ LYS A 96 -6.025 -11.662 37.588 1.00 49.10 N ATOM 809 N LYS A 97 -5.584 -16.481 32.472 1.00 21.67 N ATOM 810 CA LYS A 97 -5.365 -17.491 31.438 1.00 23.14 C ATOM 811 C LYS A 97 -6.020 -17.142 30.104 1.00 21.38 C ATOM 812 O LYS A 97 -5.397 -17.242 29.048 1.00 19.26 O ATOM 813 CB LYS A 97 -5.884 -18.851 31.910 1.00 31.00 C ATOM 814 CG LYS A 97 -5.764 -19.949 30.864 1.00 33.79 C ATOM 815 CD LYS A 97 -6.534 -21.190 31.284 1.00 35.89 C ATOM 816 CE LYS A 97 -6.584 -22.226 30.163 1.00 37.47 C ATOM 817 NZ LYS A 97 -5.284 -22.911 29.937 1.00 36.32 N ATOM 818 N ARG A 98 -7.290 -16.763 30.158 1.00 18.11 N ATOM 819 CA ARG A 98 -8.031 -16.396 28.963 1.00 17.84 C ATOM 820 C ARG A 98 -7.424 -15.143 28.320 1.00 16.65 C ATOM 821 O ARG A 98 -7.264 -15.074 27.098 1.00 12.93 O ATOM 822 CB ARG A 98 -9.498 -16.151 29.330 1.00 20.56 C ATOM 823 CG ARG A 98 -10.376 -15.655 28.200 1.00 21.67 C ATOM 824 CD ARG A 98 -10.356 -16.579 26.994 1.00 23.30 C ATOM 825 NE ARG A 98 -11.276 -16.095 25.970 1.00 24.66 N ATOM 826 CZ ARG A 98 -11.223 -16.448 24.691 1.00 24.85 C ATOM 827 NH1 ARG A 98 -10.289 -17.294 24.269 1.00 27.52 N ATOM 828 NH2 ARG A 98 -12.098 -15.953 23.832 1.00 28.48 N ATOM 829 N PHE A 99 -7.086 -14.152 29.135 1.00 16.57 N ATOM 830 CA PHE A 99 -6.504 -12.934 28.588 1.00 16.80 C ATOM 831 C PHE A 99 -5.198 -13.271 27.871 1.00 15.36 C ATOM 832 O PHE A 99 -4.908 -12.736 26.789 1.00 15.17 O ATOM 833 CB PHE A 99 -6.221 -11.913 29.690 1.00 15.98 C ATOM 834 CG PHE A 99 -5.746 -10.590 29.163 1.00 14.88 C ATOM 835 CD1 PHE A 99 -6.657 -9.633 28.723 1.00 15.96 C ATOM 836 CD2 PHE A 99 -4.385 -10.333 29.017 1.00 13.52 C ATOM 837 CE1 PHE A 99 -6.215 -8.436 28.137 1.00 12.96 C ATOM 838 CE2 PHE A 99 -3.938 -9.147 28.438 1.00 13.03 C ATOM 839 CZ PHE A 99 -4.854 -8.199 27.997 1.00 13.41 C ATOM 840 N LYS A 100 -4.408 -14.155 28.478 1.00 11.96 N ATOM 841 CA LYS A 100 -3.141 -14.558 27.884 1.00 12.11 C ATOM 842 C LYS A 100 -3.389 -15.276 26.561 1.00 10.63 C ATOM 843 O LYS A 100 -2.716 -14.996 25.582 1.00 11.76 O ATOM 844 CB LYS A 100 -2.346 -15.475 28.828 1.00 14.30 C ATOM 845 CG LYS A 100 -0.992 -15.906 28.250 1.00 14.20 C ATOM 846 CD LYS A 100 -0.152 -16.721 29.231 1.00 20.49 C ATOM 847 CE LYS A 100 1.184 -17.136 28.614 1.00 24.01 C ATOM 848 NZ LYS A 100 2.067 -17.863 29.571 1.00 23.59 N ATOM 849 N ASP A 101 -4.354 -16.198 26.539 1.00 12.17 N ATOM 850 CA ASP A 101 -4.674 -16.942 25.322 1.00 13.30 C ATOM 851 C ASP A 101 -5.024 -16.060 24.121 1.00 10.44 C ATOM 852 O ASP A 101 -4.497 -16.267 23.036 1.00 11.16 O ATOM 853 CB ASP A 101 -5.826 -17.925 25.560 1.00 23.94 C ATOM 854 CG ASP A 101 -5.471 -19.009 26.562 1.00 28.45 C ATOM 855 OD1 ASP A 101 -4.278 -19.376 26.640 1.00 31.66 O ATOM 856 OD2 ASP A 101 -6.385 -19.504 27.258 1.00 33.04 O ATOM 857 N ILE A 102 -5.909 -15.084 24.298 1.00 10.22 N ATOM 858 CA ILE A 102 -6.275 -14.230 23.168 1.00 11.16 C ATOM 859 C ILE A 102 -5.124 -13.317 22.767 1.00 9.16 C ATOM 860 O ILE A 102 -4.907 -13.053 21.583 1.00 9.93 O ATOM 861 CB ILE A 102 -7.548 -13.398 23.475 1.00 13.64 C ATOM 862 CG1 ILE A 102 -7.316 -12.464 24.664 1.00 15.04 C ATOM 863 CG2 ILE A 102 -8.709 -14.343 23.790 1.00 15.36 C ATOM 864 CD1 ILE A 102 -8.532 -11.616 24.988 1.00 14.35 C ATOM 865 N THR A 103 -4.369 -12.850 23.754 1.00 15.10 N ATOM 866 CA THR A 103 -3.230 -11.978 23.486 1.00 13.73 C ATOM 867 C THR A 103 -2.188 -12.760 22.680 1.00 13.41 C ATOM 868 O THR A 103 -1.671 -12.270 21.663 1.00 13.61 O ATOM 869 CB THR A 103 -2.617 -11.456 24.808 1.00 10.10 C ATOM 870 OG1 THR A 103 -3.600 -10.681 25.506 1.00 12.45 O ATOM 871 CG2 THR A 103 -1.417 -10.560 24.534 1.00 12.50 C ATOM 872 N GLU A 104 -1.907 -13.988 23.106 1.00 9.99 N ATOM 873 CA GLU A 104 -0.928 -14.829 22.400 1.00 11.83 C ATOM 874 C GLU A 104 -1.346 -15.090 20.949 1.00 10.33 C ATOM 875 O GLU A 104 -0.518 -15.087 20.037 1.00 10.04 O ATOM 876 CB GLU A 104 -0.787 -16.186 23.084 1.00 19.12 C ATOM 877 CG GLU A 104 -0.152 -16.184 24.453 1.00 26.74 C ATOM 878 CD GLU A 104 0.006 -17.603 24.963 1.00 26.70 C ATOM 879 OE1 GLU A 104 -1.002 -18.348 24.981 1.00 32.19 O ATOM 880 OE2 GLU A 104 1.129 -17.978 25.336 1.00 30.05 O ATOM 881 N SER A 105 -2.633 -15.349 20.761 1.00 8.28 N ATOM 882 CA SER A 105 -3.196 -15.632 19.440 1.00 11.25 C ATOM 883 C SER A 105 -3.076 -14.423 18.507 1.00 9.69 C ATOM 884 O SER A 105 -2.667 -14.539 17.342 1.00 11.97 O ATOM 885 CB SER A 105 -4.667 -16.027 19.597 1.00 8.47 C ATOM 886 OG SER A 105 -5.269 -16.268 18.351 1.00 13.25 O ATOM 887 N VAL A 106 -3.450 -13.265 19.024 1.00 8.44 N ATOM 888 CA VAL A 106 -3.390 -12.026 18.256 1.00 8.14 C ATOM 889 C VAL A 106 -1.943 -11.696 17.882 1.00 6.96 C ATOM 890 O VAL A 106 -1.626 -11.461 16.715 1.00 7.66 O ATOM 891 CB VAL A 106 -3.994 -10.855 19.078 1.00 15.77 C ATOM 892 CG1 VAL A 106 -3.653 -9.508 18.428 1.00 16.63 C ATOM 893 CG2 VAL A 106 -5.512 -11.033 19.181 1.00 15.57 C ATOM 894 N LEU A 107 -1.063 -11.697 18.876 1.00 11.37 N ATOM 895 CA LEU A 107 0.335 -11.370 18.648 1.00 10.31 C ATOM 896 C LEU A 107 1.004 -12.274 17.617 1.00 11.25 C ATOM 897 O LEU A 107 1.728 -11.780 16.758 1.00 10.07 O ATOM 898 CB LEU A 107 1.114 -11.405 19.972 1.00 11.75 C ATOM 899 CG LEU A 107 0.850 -10.202 20.897 1.00 10.27 C ATOM 900 CD1 LEU A 107 1.546 -10.406 22.229 1.00 11.93 C ATOM 901 CD2 LEU A 107 1.336 -8.906 20.222 1.00 9.01 C ATOM 902 N TYR A 108 0.760 -13.582 17.695 1.00 8.87 N ATOM 903 CA TYR A 108 1.383 -14.499 16.740 1.00 13.78 C ATOM 904 C TYR A 108 0.939 -14.226 15.314 1.00 10.92 C ATOM 905 O TYR A 108 1.760 -14.180 14.397 1.00 14.61 O ATOM 906 CB TYR A 108 1.097 -15.968 17.076 1.00 12.90 C ATOM 907 CG TYR A 108 1.593 -16.872 15.970 1.00 14.85 C ATOM 908 CD1 TYR A 108 2.954 -16.978 15.698 1.00 12.86 C ATOM 909 CD2 TYR A 108 0.703 -17.522 15.119 1.00 14.85 C ATOM 910 CE1 TYR A 108 3.421 -17.692 14.605 1.00 14.71 C ATOM 911 CE2 TYR A 108 1.159 -18.248 14.016 1.00 12.40 C ATOM 912 CZ TYR A 108 2.519 -18.323 13.764 1.00 15.65 C ATOM 913 OH TYR A 108 2.984 -18.984 12.650 1.00 15.44 O ATOM 914 N THR A 109 -0.362 -14.055 15.108 1.00 11.82 N ATOM 915 CA THR A 109 -0.830 -13.782 13.759 1.00 10.78 C ATOM 916 C THR A 109 -0.228 -12.470 13.266 1.00 10.69 C ATOM 917 O THR A 109 0.178 -12.372 12.107 1.00 9.31 O ATOM 918 CB THR A 109 -2.370 -13.714 13.689 1.00 17.71 C ATOM 919 OG1 THR A 109 -2.915 -14.980 14.077 1.00 21.45 O ATOM 920 CG2 THR A 109 -2.832 -13.375 12.259 1.00 19.32 C ATOM 921 N LEU A 110 -0.147 -11.471 14.147 1.00 13.86 N ATOM 922 CA LEU A 110 0.425 -10.182 13.769 1.00 13.52 C ATOM 923 C LEU A 110 1.890 -10.365 13.365 1.00 15.57 C ATOM 924 O LEU A 110 2.343 -9.831 12.355 1.00 15.52 O ATOM 925 CB LEU A 110 0.310 -9.177 14.926 1.00 9.43 C ATOM 926 CG LEU A 110 -1.129 -8.714 15.208 1.00 9.57 C ATOM 927 CD1 LEU A 110 -1.184 -7.800 16.429 1.00 11.34 C ATOM 928 CD2 LEU A 110 -1.667 -8.014 13.961 1.00 11.75 C ATOM 929 N HIS A 111 2.633 -11.123 14.158 1.00 9.00 N ATOM 930 CA HIS A 111 4.029 -11.374 13.842 1.00 10.57 C ATOM 931 C HIS A 111 4.164 -12.159 12.546 1.00 11.11 C ATOM 932 O HIS A 111 5.095 -11.921 11.783 1.00 11.93 O ATOM 933 CB HIS A 111 4.704 -12.116 14.990 1.00 11.60 C ATOM 934 CG HIS A 111 4.954 -11.248 16.184 1.00 13.76 C ATOM 935 ND1 HIS A 111 4.855 -11.707 17.479 1.00 14.80 N ATOM 936 CD2 HIS A 111 5.281 -9.937 16.275 1.00 13.36 C ATOM 937 CE1 HIS A 111 5.107 -10.716 18.316 1.00 13.34 C ATOM 938 NE2 HIS A 111 5.369 -9.631 17.611 1.00 13.61 N ATOM 939 N ALA A 112 3.237 -13.083 12.297 1.00 13.88 N ATOM 940 CA ALA A 112 3.258 -13.889 11.073 1.00 15.61 C ATOM 941 C ALA A 112 3.091 -12.991 9.846 1.00 17.39 C ATOM 942 O ALA A 112 3.831 -13.103 8.869 1.00 18.72 O ATOM 943 CB ALA A 112 2.147 -14.923 11.115 1.00 20.85 C ATOM 944 N VAL A 113 2.107 -12.102 9.896 1.00 16.27 N ATOM 945 CA VAL A 113 1.860 -11.180 8.794 1.00 16.89 C ATOM 946 C VAL A 113 3.104 -10.320 8.599 1.00 17.69 C ATOM 947 O VAL A 113 3.538 -10.081 7.470 1.00 18.00 O ATOM 948 CB VAL A 113 0.614 -10.292 9.087 1.00 18.11 C ATOM 949 CG1 VAL A 113 0.408 -9.260 7.983 1.00 16.07 C ATOM 950 CG2 VAL A 113 -0.615 -11.172 9.191 1.00 15.36 C ATOM 951 N LYS A 114 3.689 -9.872 9.707 1.00 17.78 N ATOM 952 CA LYS A 114 4.902 -9.063 9.656 1.00 19.14 C ATOM 953 C LYS A 114 6.015 -9.847 8.962 1.00 20.53 C ATOM 954 O LYS A 114 6.734 -9.307 8.113 1.00 19.89 O ATOM 955 CB LYS A 114 5.348 -8.691 11.070 1.00 28.31 C ATOM 956 CG LYS A 114 6.656 -7.913 11.132 1.00 32.12 C ATOM 957 CD LYS A 114 7.053 -7.634 12.585 1.00 32.59 C ATOM 958 CE LYS A 114 8.349 -6.842 12.682 1.00 35.31 C ATOM 959 NZ LYS A 114 8.692 -6.544 14.108 1.00 35.27 N ATOM 960 N ASP A 115 6.164 -11.117 9.335 1.00 23.42 N ATOM 961 CA ASP A 115 7.191 -11.960 8.729 1.00 24.18 C ATOM 962 C ASP A 115 6.969 -12.102 7.219 1.00 22.46 C ATOM 963 O ASP A 115 7.921 -12.002 6.452 1.00 22.10 O ATOM 964 CB ASP A 115 7.217 -13.359 9.358 1.00 24.87 C ATOM 965 CG ASP A 115 7.654 -13.356 10.823 1.00 26.71 C ATOM 966 OD1 ASP A 115 8.209 -12.345 11.305 1.00 25.22 O ATOM 967 OD2 ASP A 115 7.450 -14.394 11.490 1.00 29.15 O ATOM 968 N GLU A 116 5.727 -12.345 6.796 1.00 19.65 N ATOM 969 CA GLU A 116 5.418 -12.492 5.368 1.00 23.32 C ATOM 970 C GLU A 116 5.779 -11.217 4.611 1.00 24.14 C ATOM 971 O GLU A 116 6.411 -11.263 3.557 1.00 24.34 O ATOM 972 CB GLU A 116 3.930 -12.795 5.145 1.00 27.91 C ATOM 973 CG GLU A 116 3.456 -14.193 5.550 1.00 33.56 C ATOM 974 CD GLU A 116 4.066 -15.322 4.715 1.00 36.16 C ATOM 975 OE1 GLU A 116 4.109 -15.206 3.468 1.00 37.47 O ATOM 976 OE2 GLU A 116 4.486 -16.338 5.309 1.00 36.28 O ATOM 977 N ILE A 117 5.370 -10.078 5.154 1.00 37.74 N ATOM 978 CA ILE A 117 5.664 -8.801 4.525 1.00 39.68 C ATOM 979 C ILE A 117 7.168 -8.635 4.299 1.00 41.76 C ATOM 980 O ILE A 117 7.609 -8.412 3.170 1.00 41.60 O ATOM 981 CB ILE A 117 5.156 -7.632 5.382 1.00 26.14 C ATOM 982 CG1 ILE A 117 3.624 -7.654 5.425 1.00 27.82 C ATOM 983 CG2 ILE A 117 5.682 -6.319 4.825 1.00 24.92 C ATOM 984 CD1 ILE A 117 3.006 -6.575 6.296 1.00 26.99 C ATOM 985 N ALA A 118 7.948 -8.757 5.372 1.00 35.65 N ATOM 986 CA ALA A 118 9.397 -8.611 5.295 1.00 38.42 C ATOM 987 C ALA A 118 10.029 -9.606 4.321 1.00 41.25 C ATOM 988 O ALA A 118 10.948 -9.259 3.577 1.00 41.34 O ATOM 989 CB ALA A 118 10.011 -8.778 6.678 1.00 26.87 C ATOM 990 N ARG A 119 9.528 -10.837 4.323 1.00 44.45 N ATOM 991 CA ARG A 119 10.049 -11.880 3.445 1.00 46.12 C ATOM 992 C ARG A 119 9.807 -11.565 1.965 1.00 47.10 C ATOM 993 O ARG A 119 10.710 -11.688 1.133 1.00 46.23 O ATOM 994 CB ARG A 119 9.397 -13.219 3.798 1.00 40.79 C ATOM 995 CG ARG A 119 9.973 -14.416 3.064 1.00 42.58 C ATOM 996 CD ARG A 119 9.264 -15.699 3.476 1.00 44.19 C ATOM 997 NE ARG A 119 7.887 -15.751 2.996 1.00 46.05 N ATOM 998 CZ ARG A 119 7.546 -15.795 1.710 1.00 47.23 C ATOM 999 NH1 ARG A 119 8.487 -15.791 0.774 1.00 48.84 N ATOM 1000 NH2 ARG A 119 6.268 -15.850 1.356 1.00 46.14 N ATOM 1001 N GLU A 120 8.584 -11.155 1.645 1.00 34.63 N ATOM 1002 CA GLU A 120 8.210 -10.838 0.270 1.00 35.38 C ATOM 1003 C GLU A 120 8.639 -9.449 -0.179 1.00 34.72 C ATOM 1004 O GLU A 120 8.807 -9.203 -1.375 1.00 35.05 O ATOM 1005 CB GLU A 120 6.698 -10.997 0.107 1.00 38.15 C ATOM 1006 CG GLU A 120 6.251 -12.445 0.192 1.00 38.73 C ATOM 1007 CD GLU A 120 4.904 -12.611 0.853 1.00 38.91 C ATOM 1008 OE1 GLU A 120 3.904 -12.099 0.307 1.00 38.36 O ATOM 1009 OE2 GLU A 120 4.854 -13.256 1.924 1.00 38.64 O ATOM 1010 N ASP A 121 8.823 -8.546 0.776 1.00 43.36 N ATOM 1011 CA ASP A 121 9.229 -7.182 0.457 1.00 43.71 C ATOM 1012 C ASP A 121 10.727 -7.137 0.176 1.00 44.61 C ATOM 1013 O ASP A 121 11.235 -6.161 -0.376 1.00 45.08 O ATOM 1014 CB ASP A 121 8.862 -6.240 1.606 1.00 35.08 C ATOM 1015 CG ASP A 121 9.078 -4.777 1.262 1.00 35.03 C ATOM 1016 OD1 ASP A 121 8.717 -4.356 0.140 1.00 32.30 O ATOM 1017 OD2 ASP A 121 9.599 -4.044 2.126 1.00 32.50 O ATOM 1018 N SER A 122 11.431 -8.200 0.558 1.00 31.98 N ATOM 1019 CA SER A 122 12.867 -8.292 0.310 1.00 33.43 C ATOM 1020 C SER A 122 13.089 -9.172 -0.913 1.00 34.77 C ATOM 1021 O SER A 122 14.221 -9.532 -1.240 1.00 35.63 O ATOM 1022 CB SER A 122 13.589 -8.894 1.517 1.00 39.38 C ATOM 1023 OG SER A 122 13.603 -7.987 2.604 1.00 42.14 O ATOM 1024 N ARG A 123 11.990 -9.512 -1.584 1.00 51.62 N ATOM 1025 CA ARG A 123 12.019 -10.357 -2.774 1.00 53.37 C ATOM 1026 C ARG A 123 12.443 -11.789 -2.460 1.00 54.94 C ATOM 1027 O ARG A 123 12.816 -12.058 -1.296 1.00 55.84 O ATOM 1028 CB ARG A 123 12.956 -9.761 -3.827 1.00 46.19 C ATOM 1029 CG ARG A 123 12.338 -8.657 -4.649 1.00 44.87 C ATOM 1030 CD ARG A 123 13.304 -8.178 -5.715 1.00 45.65 C ATOM 1031 NE ARG A 123 12.627 -7.410 -6.754 1.00 45.98 N ATOM 1032 CZ ARG A 123 11.768 -7.931 -7.623 1.00 47.11 C ATOM 1033 NH1 ARG A 123 11.480 -9.224 -7.581 1.00 47.82 N ATOM 1034 NH2 ARG A 123 11.190 -7.159 -8.533 1.00 48.12 N TER 1036 ARG A 123 HETATM 1036 N MSE B 1 -1.473 -39.990 35.103 1.00 46.18 N HETATM 1037 CA MSE B 1 -2.119 -38.857 34.378 1.00 43.91 C HETATM 1038 C MSE B 1 -1.360 -37.558 34.611 1.00 43.45 C HETATM 1039 O MSE B 1 -1.839 -36.470 34.285 1.00 41.90 O HETATM 1040 CB MSE B 1 -3.569 -38.702 34.830 1.00 47.01 C HETATM 1041 CG MSE B 1 -3.757 -38.675 36.332 1.00 49.56 C HETATM 1042 SE MSE B 1 -5.481 -38.380 36.759 1.00 54.82 HETATM 1043 CE MSE B 1 -6.179 -40.037 36.589 1.00 53.98 C ATOM 1044 N LEU B 2 -0.173 -37.676 35.195 1.00 32.56 N ATOM 1045 CA LEU B 2 0.661 -36.510 35.440 1.00 32.53 C ATOM 1046 C LEU B 2 1.430 -36.282 34.149 1.00 32.52 C ATOM 1047 O LEU B 2 2.659 -36.280 34.130 1.00 32.53 O ATOM 1048 CB LEU B 2 1.619 -36.775 36.599 1.00 31.39 C ATOM 1049 CG LEU B 2 0.921 -36.992 37.943 1.00 31.25 C ATOM 1050 CD1 LEU B 2 1.935 -37.429 38.994 1.00 30.74 C ATOM 1051 CD2 LEU B 2 0.223 -35.702 38.365 1.00 32.16 C ATOM 1052 N SER B 3 0.682 -36.114 33.065 1.00 40.83 N ATOM 1053 CA SER B 3 1.265 -35.893 31.754 1.00 40.58 C ATOM 1054 C SER B 3 0.553 -34.740 31.067 1.00 38.84 C ATOM 1055 O SER B 3 -0.600 -34.438 31.372 1.00 37.95 O ATOM 1056 CB SER B 3 1.131 -37.155 30.902 1.00 56.62 C ATOM 1057 OG SER B 3 1.579 -38.298 31.614 1.00 58.22 O ATOM 1058 N GLN B 4 1.258 -34.098 30.142 1.00 29.35 N ATOM 1059 CA GLN B 4 0.703 -32.983 29.389 1.00 27.06 C ATOM 1060 C GLN B 4 -0.186 -33.491 28.265 1.00 24.46 C ATOM 1061 O GLN B 4 0.078 -34.546 27.691 1.00 23.77 O ATOM 1062 CB GLN B 4 1.829 -32.145 28.778 1.00 30.48 C ATOM 1063 CG GLN B 4 2.423 -31.109 29.699 1.00 31.77 C ATOM 1064 CD GLN B 4 3.506 -30.298 29.023 1.00 32.86 C ATOM 1065 OE1 GLN B 4 3.775 -29.160 29.407 1.00 35.26 O ATOM 1066 NE2 GLN B 4 4.138 -30.883 28.011 1.00 33.79 N ATOM 1067 N THR B 5 -1.244 -32.745 27.960 1.00 20.75 N ATOM 1068 CA THR B 5 -2.133 -33.108 26.863 1.00 19.94 C ATOM 1069 C THR B 5 -1.386 -32.710 25.585 1.00 18.27 C ATOM 1070 O THR B 5 -0.317 -32.098 25.651 1.00 17.39 O ATOM 1071 CB THR B 5 -3.469 -32.331 26.923 1.00 32.55 C ATOM 1072 OG1 THR B 5 -3.232 -30.940 26.665 1.00 32.69 O ATOM 1073 CG2 THR B 5 -4.107 -32.479 28.293 1.00 33.11 C ATOM 1074 N LEU B 6 -1.936 -33.047 24.425 1.00 23.78 N ATOM 1075 CA LEU B 6 -1.270 -32.695 23.178 1.00 22.83 C ATOM 1076 C LEU B 6 -1.198 -31.178 23.052 1.00 21.78 C ATOM 1077 O LEU B 6 -0.172 -30.621 22.662 1.00 22.57 O ATOM 1078 CB LEU B 6 -2.016 -33.288 21.980 1.00 23.77 C ATOM 1079 CG LEU B 6 -1.346 -33.041 20.626 1.00 26.02 C ATOM 1080 CD1 LEU B 6 0.093 -33.554 20.673 1.00 24.42 C ATOM 1081 CD2 LEU B 6 -2.140 -33.728 19.515 1.00 27.17 C ATOM 1082 N LEU B 7 -2.294 -30.515 23.404 1.00 22.57 N ATOM 1083 CA LEU B 7 -2.369 -29.065 23.332 1.00 23.47 C ATOM 1084 C LEU B 7 -1.322 -28.431 24.239 1.00 23.30 C ATOM 1085 O LEU B 7 -0.596 -27.519 23.832 1.00 22.10 O ATOM 1086 CB LEU B 7 -3.768 -28.591 23.743 1.00 24.28 C ATOM 1087 CG LEU B 7 -3.988 -27.076 23.826 1.00 25.41 C ATOM 1088 CD1 LEU B 7 -3.586 -26.430 22.508 1.00 27.77 C ATOM 1089 CD2 LEU B 7 -5.450 -26.776 24.156 1.00 27.57 C ATOM 1090 N GLU B 8 -1.244 -28.923 25.469 1.00 22.99 N ATOM 1091 CA GLU B 8 -0.285 -28.399 26.436 1.00 24.56 C ATOM 1092 C GLU B 8 1.156 -28.584 25.972 1.00 23.95 C ATOM 1093 O GLU B 8 1.998 -27.708 26.191 1.00 23.45 O ATOM 1094 CB GLU B 8 -0.511 -29.057 27.799 1.00 24.92 C ATOM 1095 CG GLU B 8 -1.940 -28.860 28.291 1.00 28.59 C ATOM 1096 CD GLU B 8 -2.221 -29.524 29.619 1.00 28.19 C ATOM 1097 OE1 GLU B 8 -1.657 -30.607 29.878 1.00 25.72 O ATOM 1098 OE2 GLU B 8 -3.032 -28.966 30.395 1.00 30.30 O HETATM 1099 N MSE B 9 1.442 -29.710 25.324 1.00 17.70 N HETATM 1100 CA MSE B 9 2.795 -29.951 24.828 1.00 17.08 C HETATM 1101 C MSE B 9 3.107 -28.981 23.698 1.00 15.95 C HETATM 1102 O MSE B 9 4.215 -28.461 23.609 1.00 14.38 O HETATM 1103 CB MSE B 9 2.954 -31.377 24.299 1.00 24.02 C HETATM 1104 CG MSE B 9 2.855 -32.464 25.347 1.00 30.16 C HETATM 1105 SE MSE B 9 3.491 -34.146 24.621 1.00 34.64 HETATM 1106 CE MSE B 9 5.191 -34.216 25.530 1.00 37.45 C ATOM 1107 N THR B 10 2.126 -28.758 22.829 1.00 20.79 N ATOM 1108 CA THR B 10 2.286 -27.854 21.694 1.00 21.16 C ATOM 1109 C THR B 10 2.588 -26.433 22.175 1.00 21.36 C ATOM 1110 O THR B 10 3.494 -25.770 21.659 1.00 20.12 O ATOM 1111 CB THR B 10 1.005 -27.849 20.815 1.00 20.70 C ATOM 1112 OG1 THR B 10 0.755 -29.180 20.339 1.00 19.68 O ATOM 1113 CG2 THR B 10 1.161 -26.893 19.619 1.00 20.69 C ATOM 1114 N GLU B 11 1.824 -25.978 23.164 1.00 17.91 N ATOM 1115 CA GLU B 11 2.005 -24.644 23.733 1.00 18.02 C ATOM 1116 C GLU B 11 3.357 -24.546 24.418 1.00 18.11 C ATOM 1117 O GLU B 11 3.982 -23.487 24.430 1.00 16.36 O ATOM 1118 CB GLU B 11 0.894 -24.334 24.738 1.00 18.91 C ATOM 1119 CG GLU B 11 1.053 -22.993 25.479 1.00 21.68 C ATOM 1120 CD GLU B 11 1.062 -21.779 24.553 1.00 25.35 C ATOM 1121 OE1 GLU B 11 0.643 -21.902 23.381 1.00 26.23 O ATOM 1122 OE2 GLU B 11 1.477 -20.692 25.005 1.00 26.35 O ATOM 1123 N GLN B 12 3.809 -25.656 24.993 1.00 22.97 N ATOM 1124 CA GLN B 12 5.105 -25.689 25.653 1.00 23.49 C ATOM 1125 C GLN B 12 6.216 -25.537 24.609 1.00 23.37 C ATOM 1126 O GLN B 12 7.209 -24.831 24.836 1.00 22.74 O ATOM 1127 CB GLN B 12 5.276 -27.004 26.422 1.00 31.19 C ATOM 1128 CG GLN B 12 6.532 -27.051 27.272 1.00 37.46 C ATOM 1129 CD GLN B 12 6.585 -25.915 28.279 1.00 42.18 C ATOM 1130 OE1 GLN B 12 5.709 -25.789 29.139 1.00 44.36 O ATOM 1131 NE2 GLN B 12 7.615 -25.079 28.175 1.00 44.47 N HETATM 1132 N MSE B 13 6.043 -26.194 23.463 1.00 17.46 N HETATM 1133 CA MSE B 13 7.029 -26.106 22.393 1.00 17.39 C HETATM 1134 C MSE B 13 7.012 -24.696 21.808 1.00 16.80 C HETATM 1135 O MSE B 13 8.052 -24.144 21.456 1.00 16.36 O HETATM 1136 CB MSE B 13 6.741 -27.151 21.311 1.00 21.11 C HETATM 1137 CG MSE B 13 7.019 -28.583 21.757 1.00 19.90 C HETATM 1138 SE MSE B 13 6.668 -29.904 20.362 1.00 31.19 HETATM 1139 CE MSE B 13 8.139 -29.473 19.179 1.00 22.70 C ATOM 1140 N ILE B 14 5.827 -24.107 21.708 1.00 17.23 N ATOM 1141 CA ILE B 14 5.720 -22.747 21.197 1.00 15.28 C ATOM 1142 C ILE B 14 6.511 -21.813 22.128 1.00 14.69 C ATOM 1143 O ILE B 14 7.313 -21.013 21.668 1.00 12.45 O ATOM 1144 CB ILE B 14 4.236 -22.318 21.099 1.00 17.98 C ATOM 1145 CG1 ILE B 14 3.579 -23.082 19.944 1.00 16.78 C ATOM 1146 CG2 ILE B 14 4.126 -20.810 20.895 1.00 18.32 C ATOM 1147 CD1 ILE B 14 2.078 -22.883 19.816 1.00 20.27 C ATOM 1148 N GLU B 15 6.314 -21.948 23.437 1.00 16.90 N ATOM 1149 CA GLU B 15 7.028 -21.116 24.400 1.00 18.06 C ATOM 1150 C GLU B 15 8.543 -21.314 24.319 1.00 16.63 C ATOM 1151 O GLU B 15 9.303 -20.351 24.384 1.00 17.42 O ATOM 1152 CB GLU B 15 6.554 -21.415 25.831 1.00 17.25 C ATOM 1153 CG GLU B 15 5.066 -21.237 26.064 1.00 25.25 C ATOM 1154 CD GLU B 15 4.678 -21.416 27.531 1.00 27.00 C ATOM 1155 OE1 GLU B 15 5.331 -22.225 28.227 1.00 28.23 O ATOM 1156 OE2 GLU B 15 3.717 -20.760 27.983 1.00 31.46 O ATOM 1157 N VAL B 16 8.990 -22.560 24.183 1.00 13.28 N ATOM 1158 CA VAL B 16 10.425 -22.833 24.100 1.00 12.20 C ATOM 1159 C VAL B 16 11.002 -22.226 22.827 1.00 12.50 C ATOM 1160 O VAL B 16 12.133 -21.734 22.822 1.00 13.41 O ATOM 1161 CB VAL B 16 10.724 -24.352 24.093 1.00 10.67 C ATOM 1162 CG1 VAL B 16 12.214 -24.593 23.849 1.00 11.90 C ATOM 1163 CG2 VAL B 16 10.311 -24.965 25.413 1.00 11.06 C ATOM 1164 N ALA B 17 10.230 -22.261 21.744 1.00 11.06 N ATOM 1165 CA ALA B 17 10.710 -21.707 20.480 1.00 12.40 C ATOM 1166 C ALA B 17 10.771 -20.173 20.513 1.00 12.13 C ATOM 1167 O ALA B 17 11.713 -19.578 19.985 1.00 13.42 O ATOM 1168 CB ALA B 17 9.830 -22.175 19.338 1.00 9.87 C ATOM 1169 N GLU B 18 9.769 -19.546 21.129 1.00 9.87 N ATOM 1170 CA GLU B 18 9.716 -18.087 21.237 1.00 10.42 C ATOM 1171 C GLU B 18 10.884 -17.641 22.103 1.00 10.13 C ATOM 1172 O GLU B 18 11.656 -16.763 21.724 1.00 9.59 O ATOM 1173 CB GLU B 18 8.422 -17.619 21.920 1.00 23.46 C ATOM 1174 CG GLU B 18 7.105 -17.988 21.248 1.00 27.84 C ATOM 1175 CD GLU B 18 5.907 -17.747 22.178 1.00 32.53 C ATOM 1176 OE1 GLU B 18 5.890 -18.310 23.296 1.00 30.99 O ATOM 1177 OE2 GLU B 18 4.978 -17.002 21.794 1.00 33.92 O ATOM 1178 N LYS B 19 10.999 -18.256 23.276 1.00 11.74 N ATOM 1179 CA LYS B 19 12.068 -17.928 24.209 1.00 12.43 C ATOM 1180 C LYS B 19 13.439 -18.155 23.582 1.00 12.52 C ATOM 1181 O LYS B 19 14.353 -17.355 23.782 1.00 10.31 O ATOM 1182 CB LYS B 19 11.925 -18.754 25.488 1.00 26.14 C ATOM 1183 CG LYS B 19 12.543 -18.083 26.694 1.00 32.45 C ATOM 1184 CD LYS B 19 12.089 -18.721 27.992 1.00 35.07 C ATOM 1185 CE LYS B 19 12.676 -17.984 29.184 1.00 38.61 C ATOM 1186 NZ LYS B 19 12.276 -18.600 30.485 1.00 39.94 N ATOM 1187 N GLY B 20 13.570 -19.233 22.809 1.00 12.22 N ATOM 1188 CA GLY B 20 14.829 -19.543 22.150 1.00 11.88 C ATOM 1189 C GLY B 20 15.226 -18.497 21.120 1.00 12.22 C ATOM 1190 O GLY B 20 16.401 -18.163 20.981 1.00 12.60 O ATOM 1191 N ALA B 21 14.242 -17.979 20.391 1.00 16.53 N ATOM 1192 CA ALA B 21 14.490 -16.957 19.380 1.00 17.31 C ATOM 1193 C ALA B 21 15.015 -15.693 20.058 1.00 16.35 C ATOM 1194 O ALA B 21 15.856 -14.982 19.500 1.00 17.11 O ATOM 1195 CB ALA B 21 13.200 -16.648 18.620 1.00 28.37 C ATOM 1196 N ASP B 22 14.516 -15.409 21.263 1.00 12.62 N ATOM 1197 CA ASP B 22 14.969 -14.227 21.993 1.00 10.87 C ATOM 1198 C ASP B 22 16.375 -14.472 22.539 1.00 11.87 C ATOM 1199 O ASP B 22 17.212 -13.576 22.511 1.00 9.00 O ATOM 1200 CB ASP B 22 14.019 -13.886 23.145 1.00 9.20 C ATOM 1201 CG ASP B 22 12.682 -13.333 22.666 1.00 12.28 C ATOM 1202 OD1 ASP B 22 12.547 -13.035 21.459 1.00 10.93 O ATOM 1203 OD2 ASP B 22 11.768 -13.190 23.505 1.00 11.90 O ATOM 1204 N ARG B 23 16.630 -15.687 23.035 1.00 10.37 N ATOM 1205 CA ARG B 23 17.952 -16.022 23.574 1.00 13.19 C ATOM 1206 C ARG B 23 19.014 -15.963 22.469 1.00 13.55 C ATOM 1207 O ARG B 23 20.144 -15.555 22.716 1.00 16.06 O ATOM 1208 CB ARG B 23 17.929 -17.411 24.226 1.00 17.01 C ATOM 1209 CG ARG B 23 19.213 -17.785 24.973 1.00 18.25 C ATOM 1210 CD ARG B 23 18.932 -18.880 26.000 1.00 18.85 C ATOM 1211 NE ARG B 23 18.228 -19.992 25.387 1.00 26.46 N ATOM 1212 CZ ARG B 23 17.052 -20.467 25.782 1.00 23.77 C ATOM 1213 NH1 ARG B 23 16.415 -19.938 26.819 1.00 25.44 N ATOM 1214 NH2 ARG B 23 16.495 -21.465 25.111 1.00 25.04 N ATOM 1215 N TYR B 24 18.645 -16.370 21.257 1.00 13.89 N ATOM 1216 CA TYR B 24 19.555 -16.326 20.118 1.00 14.54 C ATOM 1217 C TYR B 24 19.916 -14.863 19.819 1.00 16.35 C ATOM 1218 O TYR B 24 21.088 -14.525 19.590 1.00 14.12 O ATOM 1219 CB TYR B 24 18.884 -16.934 18.884 1.00 13.97 C ATOM 1220 CG TYR B 24 19.671 -16.749 17.609 1.00 18.16 C ATOM 1221 CD1 TYR B 24 20.657 -17.657 17.234 1.00 19.64 C ATOM 1222 CD2 TYR B 24 19.432 -15.657 16.780 1.00 19.08 C ATOM 1223 CE1 TYR B 24 21.388 -17.484 16.054 1.00 21.37 C ATOM 1224 CE2 TYR B 24 20.158 -15.470 15.607 1.00 21.20 C ATOM 1225 CZ TYR B 24 21.133 -16.387 15.248 1.00 22.12 C ATOM 1226 OH TYR B 24 21.847 -16.200 14.086 1.00 22.23 O ATOM 1227 N GLN B 25 18.894 -14.010 19.799 1.00 19.33 N ATOM 1228 CA GLN B 25 19.076 -12.580 19.543 1.00 20.53 C ATOM 1229 C GLN B 25 20.031 -11.996 20.588 1.00 19.90 C ATOM 1230 O GLN B 25 20.957 -11.270 20.247 1.00 20.35 O ATOM 1231 CB GLN B 25 17.724 -11.858 19.610 1.00 16.14 C ATOM 1232 CG GLN B 25 17.792 -10.340 19.384 1.00 19.14 C ATOM 1233 CD GLN B 25 18.313 -9.969 18.010 1.00 21.73 C ATOM 1234 OE1 GLN B 25 17.816 -10.453 16.990 1.00 21.05 O ATOM 1235 NE2 GLN B 25 19.320 -9.104 17.975 1.00 23.89 N ATOM 1236 N GLU B 26 19.799 -12.318 21.857 1.00 11.89 N ATOM 1237 CA GLU B 26 20.643 -11.821 22.943 1.00 14.32 C ATOM 1238 C GLU B 26 22.065 -12.378 22.833 1.00 15.15 C ATOM 1239 O GLU B 26 23.035 -11.689 23.143 1.00 13.92 O ATOM 1240 CB GLU B 26 20.061 -12.217 24.304 1.00 26.11 C ATOM 1241 CG GLU B 26 18.709 -11.595 24.652 1.00 31.55 C ATOM 1242 CD GLU B 26 18.791 -10.099 24.926 1.00 33.22 C ATOM 1243 OE1 GLU B 26 19.609 -9.677 25.777 1.00 32.85 O ATOM 1244 OE2 GLU B 26 18.032 -9.343 24.290 1.00 37.17 O ATOM 1245 N GLY B 27 22.176 -13.633 22.407 1.00 27.02 N ATOM 1246 CA GLY B 27 23.479 -14.256 22.260 1.00 29.35 C ATOM 1247 C GLY B 27 24.304 -13.543 21.211 1.00 32.42 C ATOM 1248 O GLY B 27 25.508 -13.323 21.392 1.00 32.97 O ATOM 1249 N LYS B 28 23.649 -13.182 20.110 1.00 46.33 N ATOM 1250 CA LYS B 28 24.301 -12.475 19.013 1.00 48.42 C ATOM 1251 C LYS B 28 24.718 -11.069 19.416 1.00 49.65 C ATOM 1252 O LYS B 28 25.708 -10.543 18.914 1.00 50.89 O ATOM 1253 CB LYS B 28 23.367 -12.395 17.802 1.00 33.37 C ATOM 1254 CG LYS B 28 23.229 -13.702 17.038 1.00 32.88 C ATOM 1255 CD LYS B 28 24.571 -14.149 16.470 1.00 33.61 C ATOM 1256 CE LYS B 28 24.429 -15.389 15.598 1.00 31.98 C ATOM 1257 NZ LYS B 28 25.721 -15.791 14.957 1.00 33.72 N ATOM 1258 N ASN B 29 23.964 -10.454 20.321 1.00 37.16 N ATOM 1259 CA ASN B 29 24.297 -9.108 20.754 1.00 37.04 C ATOM 1260 C ASN B 29 25.334 -9.077 21.877 1.00 35.29 C ATOM 1261 O ASN B 29 26.062 -8.092 22.019 1.00 35.60 O ATOM 1262 CB ASN B 29 23.037 -8.361 21.208 1.00 57.76 C ATOM 1263 CG ASN B 29 21.978 -8.275 20.120 1.00 57.61 C ATOM 1264 OD1 ASN B 29 22.285 -8.080 18.946 1.00 57.29 O ATOM 1265 ND2 ASN B 29 20.720 -8.405 20.516 1.00 59.93 N ATOM 1266 N SER B 30 25.413 -10.149 22.662 1.00 28.68 N ATOM 1267 CA SER B 30 26.348 -10.205 23.785 1.00 27.09 C ATOM 1268 C SER B 30 27.526 -11.176 23.630 1.00 25.55 C ATOM 1269 O SER B 30 28.507 -11.078 24.368 1.00 21.59 O ATOM 1270 CB SER B 30 25.599 -10.575 25.063 1.00 36.78 C ATOM 1271 OG SER B 30 25.283 -11.957 25.060 1.00 37.27 O ATOM 1272 N ASN B 31 27.416 -12.113 22.690 1.00 20.38 N ATOM 1273 CA ASN B 31 28.457 -13.118 22.451 1.00 20.36 C ATOM 1274 C ASN B 31 28.593 -14.018 23.686 1.00 20.20 C ATOM 1275 O ASN B 31 29.672 -14.542 23.993 1.00 20.23 O ATOM 1276 CB ASN B 31 29.799 -12.436 22.132 1.00 22.89 C ATOM 1277 CG ASN B 31 30.715 -13.302 21.276 1.00 23.34 C ATOM 1278 OD1 ASN B 31 30.290 -13.872 20.272 1.00 22.25 O ATOM 1279 ND2 ASN B 31 31.987 -13.388 21.662 1.00 22.10 N ATOM 1280 N HIS B 32 27.487 -14.192 24.397 1.00 22.48 N ATOM 1281 CA HIS B 32 27.474 -15.023 25.595 1.00 21.21 C ATOM 1282 C HIS B 32 27.846 -16.466 25.261 1.00 20.13 C ATOM 1283 O HIS B 32 27.424 -17.006 24.235 1.00 18.56 O ATOM 1284 CB HIS B 32 26.089 -14.995 26.237 1.00 29.82 C ATOM 1285 CG HIS B 32 26.036 -15.626 27.595 1.00 32.88 C ATOM 1286 ND1 HIS B 32 26.461 -14.977 28.735 1.00 35.47 N ATOM 1287 CD2 HIS B 32 25.623 -16.852 27.994 1.00 33.42 C ATOM 1288 CE1 HIS B 32 26.308 -15.775 29.777 1.00 35.44 C ATOM 1289 NE2 HIS B 32 25.800 -16.919 29.355 1.00 36.32 N ATOM 1290 N SER B 33 28.632 -17.086 26.135 1.00 22.16 N ATOM 1291 CA SER B 33 29.047 -18.473 25.943 1.00 24.12 C ATOM 1292 C SER B 33 28.437 -19.342 27.041 1.00 24.03 C ATOM 1293 O SER B 33 28.736 -19.147 28.219 1.00 24.34 O ATOM 1294 CB SER B 33 30.575 -18.577 25.990 1.00 40.39 C ATOM 1295 OG SER B 33 31.002 -19.925 25.901 1.00 42.21 O ATOM 1296 N TYR B 34 27.584 -20.291 26.656 1.00 16.85 N ATOM 1297 CA TYR B 34 26.926 -21.179 27.616 1.00 18.29 C ATOM 1298 C TYR B 34 27.710 -22.466 27.844 1.00 19.62 C ATOM 1299 O TYR B 34 28.439 -22.925 26.962 1.00 20.78 O ATOM 1300 CB TYR B 34 25.526 -21.539 27.130 1.00 24.23 C ATOM 1301 CG TYR B 34 24.542 -20.397 27.144 1.00 22.89 C ATOM 1302 CD1 TYR B 34 23.894 -20.025 28.318 1.00 22.51 C ATOM 1303 CD2 TYR B 34 24.244 -19.700 25.979 1.00 23.08 C ATOM 1304 CE1 TYR B 34 22.964 -18.983 28.328 1.00 20.84 C ATOM 1305 CE2 TYR B 34 23.319 -18.661 25.975 1.00 18.74 C ATOM 1306 CZ TYR B 34 22.681 -18.309 27.149 1.00 22.31 C ATOM 1307 OH TYR B 34 21.752 -17.296 27.137 1.00 19.99 O ATOM 1308 N ASP B 35 27.555 -23.050 29.029 1.00 24.89 N ATOM 1309 CA ASP B 35 28.249 -24.292 29.361 1.00 25.29 C ATOM 1310 C ASP B 35 27.505 -25.455 28.716 1.00 25.09 C ATOM 1311 O ASP B 35 26.357 -25.729 29.056 1.00 26.61 O ATOM 1312 CB ASP B 35 28.297 -24.486 30.878 1.00 30.57 C ATOM 1313 CG ASP B 35 29.172 -25.663 31.288 1.00 33.05 C ATOM 1314 OD1 ASP B 35 28.873 -26.808 30.888 1.00 34.79 O ATOM 1315 OD2 ASP B 35 30.166 -25.440 32.010 1.00 36.52 O ATOM 1316 N PHE B 36 28.160 -26.140 27.788 1.00 21.85 N ATOM 1317 CA PHE B 36 27.535 -27.259 27.089 1.00 22.78 C ATOM 1318 C PHE B 36 26.968 -28.366 27.979 1.00 22.74 C ATOM 1319 O PHE B 36 25.785 -28.698 27.892 1.00 21.66 O ATOM 1320 CB PHE B 36 28.514 -27.888 26.097 1.00 29.28 C ATOM 1321 CG PHE B 36 27.945 -29.075 25.372 1.00 31.31 C ATOM 1322 CD1 PHE B 36 26.939 -28.908 24.425 1.00 31.42 C ATOM 1323 CD2 PHE B 36 28.374 -30.362 25.674 1.00 32.79 C ATOM 1324 CE1 PHE B 36 26.364 -30.013 23.790 1.00 34.58 C ATOM 1325 CE2 PHE B 36 27.806 -31.474 25.047 1.00 35.01 C ATOM 1326 CZ PHE B 36 26.799 -31.296 24.104 1.00 33.32 C ATOM 1327 N PHE B 37 27.809 -28.948 28.825 1.00 27.01 N ATOM 1328 CA PHE B 37 27.360 -30.031 29.691 1.00 28.63 C ATOM 1329 C PHE B 37 26.396 -29.649 30.806 1.00 29.04 C ATOM 1330 O PHE B 37 25.592 -30.479 31.237 1.00 30.62 O ATOM 1331 CB PHE B 37 28.568 -30.750 30.284 1.00 28.96 C ATOM 1332 CG PHE B 37 29.308 -31.586 29.291 1.00 29.97 C ATOM 1333 CD1 PHE B 37 28.705 -32.706 28.725 1.00 29.60 C ATOM 1334 CD2 PHE B 37 30.596 -31.244 28.896 1.00 29.90 C ATOM 1335 CE1 PHE B 37 29.377 -33.477 27.776 1.00 30.95 C ATOM 1336 CE2 PHE B 37 31.276 -32.008 27.949 1.00 30.78 C ATOM 1337 CZ PHE B 37 30.665 -33.125 27.390 1.00 30.35 C ATOM 1338 N GLU B 38 26.464 -28.405 31.271 1.00 27.84 N ATOM 1339 CA GLU B 38 25.594 -27.962 32.358 1.00 28.63 C ATOM 1340 C GLU B 38 24.340 -27.201 31.922 1.00 27.27 C ATOM 1341 O GLU B 38 23.398 -27.057 32.702 1.00 25.83 O ATOM 1342 CB GLU B 38 26.388 -27.094 33.337 1.00 67.49 C ATOM 1343 CG GLU B 38 27.530 -27.813 34.048 1.00 73.09 C ATOM 1344 CD GLU B 38 27.044 -28.903 34.999 1.00 75.34 C ATOM 1345 OE1 GLU B 38 26.283 -28.583 35.939 1.00 77.99 O ATOM 1346 OE2 GLU B 38 27.429 -30.079 34.810 1.00 77.52 O ATOM 1347 N THR B 39 24.323 -26.706 30.690 1.00 26.45 N ATOM 1348 CA THR B 39 23.168 -25.956 30.218 1.00 25.10 C ATOM 1349 C THR B 39 22.586 -26.451 28.893 1.00 25.16 C ATOM 1350 O THR B 39 21.436 -26.889 28.843 1.00 27.01 O ATOM 1351 CB THR B 39 23.513 -24.455 30.090 1.00 24.69 C ATOM 1352 OG1 THR B 39 24.013 -23.973 31.346 1.00 22.32 O ATOM 1353 CG2 THR B 39 22.277 -23.651 29.698 1.00 21.22 C ATOM 1354 N ILE B 40 23.383 -26.384 27.832 1.00 22.72 N ATOM 1355 CA ILE B 40 22.952 -26.794 26.498 1.00 22.12 C ATOM 1356 C ILE B 40 22.405 -28.222 26.427 1.00 22.40 C ATOM 1357 O ILE B 40 21.258 -28.428 26.040 1.00 20.29 O ATOM 1358 CB ILE B 40 24.105 -26.653 25.473 1.00 27.36 C ATOM 1359 CG1 ILE B 40 24.736 -25.262 25.577 1.00 25.80 C ATOM 1360 CG2 ILE B 40 23.572 -26.848 24.052 1.00 27.38 C ATOM 1361 CD1 ILE B 40 25.883 -25.047 24.608 1.00 25.44 C ATOM 1362 N LYS B 41 23.221 -29.202 26.806 1.00 25.89 N ATOM 1363 CA LYS B 41 22.802 -30.605 26.771 1.00 25.28 C ATOM 1364 C LYS B 41 21.480 -30.864 27.517 1.00 25.19 C ATOM 1365 O LYS B 41 20.567 -31.472 26.966 1.00 24.51 O ATOM 1366 CB LYS B 41 23.915 -31.496 27.334 1.00 52.96 C ATOM 1367 CG LYS B 41 23.867 -32.950 26.869 1.00 56.44 C ATOM 1368 CD LYS B 41 24.909 -33.786 27.605 1.00 58.94 C ATOM 1369 CE LYS B 41 24.871 -35.251 27.184 1.00 59.52 C ATOM 1370 NZ LYS B 41 25.444 -35.481 25.827 1.00 62.21 N ATOM 1371 N PRO B 42 21.357 -30.405 28.777 1.00 19.64 N ATOM 1372 CA PRO B 42 20.116 -30.624 29.527 1.00 19.39 C ATOM 1373 C PRO B 42 18.887 -30.070 28.800 1.00 19.34 C ATOM 1374 O PRO B 42 17.831 -30.705 28.766 1.00 17.50 O ATOM 1375 CB PRO B 42 20.379 -29.893 30.839 1.00 30.06 C ATOM 1376 CG PRO B 42 21.851 -30.045 31.012 1.00 30.46 C ATOM 1377 CD PRO B 42 22.373 -29.760 29.630 1.00 31.90 C ATOM 1378 N ALA B 43 19.038 -28.881 28.222 1.00 26.70 N ATOM 1379 CA ALA B 43 17.955 -28.231 27.489 1.00 25.34 C ATOM 1380 C ALA B 43 17.567 -29.073 26.277 1.00 25.48 C ATOM 1381 O ALA B 43 16.386 -29.310 26.028 1.00 25.20 O ATOM 1382 CB ALA B 43 18.387 -26.837 27.042 1.00 20.34 C ATOM 1383 N VAL B 44 18.563 -29.521 25.522 1.00 17.37 N ATOM 1384 CA VAL B 44 18.301 -30.351 24.352 1.00 18.84 C ATOM 1385 C VAL B 44 17.605 -31.659 24.745 1.00 19.86 C ATOM 1386 O VAL B 44 16.610 -32.052 24.131 1.00 17.19 O ATOM 1387 CB VAL B 44 19.605 -30.685 23.608 1.00 25.52 C ATOM 1388 CG1 VAL B 44 19.328 -31.664 22.480 1.00 25.13 C ATOM 1389 CG2 VAL B 44 20.224 -29.408 23.062 1.00 23.28 C ATOM 1390 N GLU B 45 18.127 -32.322 25.775 1.00 28.45 N ATOM 1391 CA GLU B 45 17.557 -33.587 26.240 1.00 28.92 C ATOM 1392 C GLU B 45 16.108 -33.423 26.679 1.00 27.96 C ATOM 1393 O GLU B 45 15.245 -34.215 26.299 1.00 27.56 O ATOM 1394 CB GLU B 45 18.377 -34.158 27.405 1.00 31.28 C ATOM 1395 CG GLU B 45 19.846 -34.424 27.077 1.00 33.21 C ATOM 1396 CD GLU B 45 20.617 -35.005 28.254 1.00 35.05 C ATOM 1397 OE1 GLU B 45 20.441 -34.510 29.392 1.00 34.57 O ATOM 1398 OE2 GLU B 45 21.412 -35.949 28.040 1.00 34.07 O ATOM 1399 N GLU B 46 15.840 -32.393 27.473 1.00 23.26 N ATOM 1400 CA GLU B 46 14.490 -32.149 27.955 1.00 23.47 C ATOM 1401 C GLU B 46 13.526 -31.890 26.806 1.00 23.60 C ATOM 1402 O GLU B 46 12.411 -32.423 26.782 1.00 23.45 O ATOM 1403 CB GLU B 46 14.470 -30.964 28.924 1.00 46.36 C ATOM 1404 CG GLU B 46 13.095 -30.697 29.499 1.00 50.26 C ATOM 1405 CD GLU B 46 13.117 -29.708 30.646 1.00 54.48 C ATOM 1406 OE1 GLU B 46 13.856 -29.957 31.625 1.00 54.99 O ATOM 1407 OE2 GLU B 46 12.390 -28.692 30.565 1.00 55.87 O ATOM 1408 N ASN B 47 13.952 -31.077 25.848 1.00 23.56 N ATOM 1409 CA ASN B 47 13.096 -30.777 24.713 1.00 23.67 C ATOM 1410 C ASN B 47 13.026 -31.927 23.715 1.00 24.01 C ATOM 1411 O ASN B 47 12.130 -31.976 22.876 1.00 23.49 O ATOM 1412 CB ASN B 47 13.550 -29.481 24.043 1.00 21.08 C ATOM 1413 CG ASN B 47 13.155 -28.269 24.850 1.00 19.11 C ATOM 1414 OD1 ASN B 47 11.978 -28.082 25.163 1.00 19.71 O ATOM 1415 ND2 ASN B 47 14.130 -27.449 25.211 1.00 22.45 N ATOM 1416 N ASP B 48 13.967 -32.862 23.822 1.00 29.53 N ATOM 1417 CA ASP B 48 13.977 -34.026 22.944 1.00 30.54 C ATOM 1418 C ASP B 48 12.789 -34.896 23.329 1.00 30.32 C ATOM 1419 O ASP B 48 12.054 -35.374 22.468 1.00 31.83 O ATOM 1420 CB ASP B 48 15.271 -34.823 23.116 1.00 31.53 C ATOM 1421 CG ASP B 48 15.214 -36.174 22.426 1.00 32.69 C ATOM 1422 OD1 ASP B 48 15.081 -36.198 21.184 1.00 31.18 O ATOM 1423 OD2 ASP B 48 15.290 -37.210 23.126 1.00 32.90 O ATOM 1424 N GLU B 49 12.610 -35.090 24.633 1.00 28.35 N ATOM 1425 CA GLU B 49 11.509 -35.885 25.160 1.00 29.31 C ATOM 1426 C GLU B 49 10.178 -35.231 24.800 1.00 28.39 C ATOM 1427 O GLU B 49 9.217 -35.909 24.429 1.00 27.45 O ATOM 1428 CB GLU B 49 11.620 -35.997 26.683 1.00 38.09 C ATOM 1429 CG GLU B 49 10.583 -36.919 27.309 1.00 42.59 C ATOM 1430 CD GLU B 49 10.651 -36.958 28.829 1.00 45.14 C ATOM 1431 OE1 GLU B 49 11.750 -37.199 29.381 1.00 46.91 O ATOM 1432 OE2 GLU B 49 9.598 -36.757 29.472 1.00 48.04 O ATOM 1433 N LEU B 50 10.129 -33.907 24.912 1.00 21.64 N ATOM 1434 CA LEU B 50 8.915 -33.167 24.598 1.00 20.17 C ATOM 1435 C LEU B 50 8.536 -33.370 23.131 1.00 18.62 C ATOM 1436 O LEU B 50 7.442 -33.847 22.821 1.00 17.91 O ATOM 1437 CB LEU B 50 9.119 -31.670 24.886 1.00 17.92 C ATOM 1438 CG LEU B 50 7.936 -30.736 24.600 1.00 17.56 C ATOM 1439 CD1 LEU B 50 6.712 -31.219 25.369 1.00 17.25 C ATOM 1440 CD2 LEU B 50 8.285 -29.297 25.005 1.00 15.22 C ATOM 1441 N ALA B 51 9.456 -33.020 22.238 1.00 18.63 N ATOM 1442 CA ALA B 51 9.237 -33.129 20.799 1.00 20.02 C ATOM 1443 C ALA B 51 8.849 -34.523 20.327 1.00 21.47 C ATOM 1444 O ALA B 51 8.053 -34.671 19.397 1.00 21.55 O ATOM 1445 CB ALA B 51 10.478 -32.676 20.052 1.00 13.21 C ATOM 1446 N ALA B 52 9.421 -35.542 20.955 1.00 22.19 N ATOM 1447 CA ALA B 52 9.140 -36.920 20.563 1.00 24.15 C ATOM 1448 C ALA B 52 7.723 -37.326 20.937 1.00 24.44 C ATOM 1449 O ALA B 52 6.980 -37.840 20.103 1.00 25.26 O ATOM 1450 CB ALA B 52 10.154 -37.865 21.210 1.00 25.76 C ATOM 1451 N ARG B 53 7.348 -37.094 22.190 1.00 23.36 N ATOM 1452 CA ARG B 53 6.011 -37.443 22.645 1.00 24.63 C ATOM 1453 C ARG B 53 4.996 -36.639 21.841 1.00 24.14 C ATOM 1454 O ARG B 53 3.951 -37.149 21.439 1.00 22.73 O ATOM 1455 CB ARG B 53 5.856 -37.137 24.139 1.00 49.44 C ATOM 1456 CG ARG B 53 6.772 -37.940 25.056 1.00 52.36 C ATOM 1457 CD ARG B 53 6.664 -37.448 26.500 1.00 57.67 C ATOM 1458 NE ARG B 53 7.570 -38.156 27.408 1.00 61.83 N ATOM 1459 CZ ARG B 53 7.418 -39.424 27.787 1.00 63.53 C ATOM 1460 NH1 ARG B 53 6.394 -40.138 27.340 1.00 65.02 N ATOM 1461 NH2 ARG B 53 8.290 -39.976 28.619 1.00 64.27 N ATOM 1462 N TRP B 54 5.314 -35.372 21.608 1.00 25.04 N ATOM 1463 CA TRP B 54 4.430 -34.509 20.851 1.00 24.20 C ATOM 1464 C TRP B 54 4.258 -35.039 19.429 1.00 23.52 C ATOM 1465 O TRP B 54 3.138 -35.206 18.953 1.00 23.50 O ATOM 1466 CB TRP B 54 5.003 -33.097 20.801 1.00 19.62 C ATOM 1467 CG TRP B 54 4.244 -32.183 19.911 1.00 17.07 C ATOM 1468 CD1 TRP B 54 3.180 -31.411 20.246 1.00 16.29 C ATOM 1469 CD2 TRP B 54 4.506 -31.930 18.526 1.00 17.32 C ATOM 1470 NE1 TRP B 54 2.761 -30.683 19.159 1.00 17.47 N ATOM 1471 CE2 TRP B 54 3.564 -30.980 18.090 1.00 15.34 C ATOM 1472 CE3 TRP B 54 5.459 -32.410 17.613 1.00 16.50 C ATOM 1473 CZ2 TRP B 54 3.533 -30.498 16.775 1.00 17.46 C ATOM 1474 CZ3 TRP B 54 5.428 -31.931 16.300 1.00 17.38 C ATOM 1475 CH2 TRP B 54 4.475 -30.983 15.899 1.00 14.64 C ATOM 1476 N ALA B 55 5.375 -35.303 18.763 1.00 23.87 N ATOM 1477 CA ALA B 55 5.354 -35.789 17.391 1.00 24.31 C ATOM 1478 C ALA B 55 4.456 -37.010 17.180 1.00 25.96 C ATOM 1479 O ALA B 55 3.770 -37.105 16.162 1.00 24.76 O ATOM 1480 CB ALA B 55 6.776 -36.091 16.928 1.00 16.99 C ATOM 1481 N GLU B 56 4.460 -37.940 18.132 1.00 27.66 N ATOM 1482 CA GLU B 56 3.635 -39.142 18.019 1.00 30.92 C ATOM 1483 C GLU B 56 2.150 -38.813 18.121 1.00 31.51 C ATOM 1484 O GLU B 56 1.342 -39.287 17.321 1.00 31.93 O ATOM 1485 CB GLU B 56 4.001 -40.155 19.107 1.00 38.01 C ATOM 1486 CG GLU B 56 3.265 -41.483 18.966 1.00 42.70 C ATOM 1487 CD GLU B 56 3.664 -42.491 20.025 1.00 45.64 C ATOM 1488 OE1 GLU B 56 4.869 -42.816 20.108 1.00 47.33 O ATOM 1489 OE2 GLU B 56 2.777 -42.962 20.772 1.00 46.56 O ATOM 1490 N GLY B 57 1.793 -37.999 19.110 1.00 28.82 N ATOM 1491 CA GLY B 57 0.402 -37.623 19.279 1.00 29.56 C ATOM 1492 C GLY B 57 -0.065 -36.758 18.124 1.00 30.97 C ATOM 1493 O GLY B 57 -1.237 -36.778 17.753 1.00 29.86 O ATOM 1494 N ALA B 58 0.866 -36.001 17.550 1.00 37.13 N ATOM 1495 CA ALA B 58 0.559 -35.115 16.435 1.00 40.32 C ATOM 1496 C ALA B 58 0.333 -35.887 15.139 1.00 43.00 C ATOM 1497 O ALA B 58 -0.646 -35.648 14.432 1.00 44.18 O ATOM 1498 CB ALA B 58 1.685 -34.105 16.247 1.00 25.03 C ATOM 1499 N LEU B 59 1.239 -36.803 14.815 1.00 44.68 N ATOM 1500 CA LEU B 59 1.093 -37.576 13.590 1.00 48.32 C ATOM 1501 C LEU B 59 -0.172 -38.421 13.647 1.00 50.33 C ATOM 1502 O LEU B 59 -0.728 -38.799 12.620 1.00 50.77 O ATOM 1503 CB LEU B 59 2.333 -38.450 13.352 1.00 40.61 C ATOM 1504 CG LEU B 59 2.815 -39.435 14.421 1.00 41.68 C ATOM 1505 CD1 LEU B 59 1.883 -40.641 14.504 1.00 43.80 C ATOM 1506 CD2 LEU B 59 4.223 -39.883 14.056 1.00 43.20 C ATOM 1507 N GLU B 60 -0.633 -38.703 14.859 1.00 58.20 N ATOM 1508 CA GLU B 60 -1.849 -39.481 15.038 1.00 60.28 C ATOM 1509 C GLU B 60 -3.032 -38.546 14.803 1.00 60.82 C ATOM 1510 O GLU B 60 -4.051 -38.943 14.238 1.00 61.52 O ATOM 1511 CB GLU B 60 -1.891 -40.060 16.452 1.00 68.21 C ATOM 1512 CG GLU B 60 -3.066 -40.973 16.717 1.00 71.14 C ATOM 1513 CD GLU B 60 -2.950 -41.683 18.050 1.00 72.97 C ATOM 1514 OE1 GLU B 60 -2.787 -40.995 19.081 1.00 74.32 O ATOM 1515 OE2 GLU B 60 -3.023 -42.931 18.067 1.00 74.20 O ATOM 1516 N LEU B 61 -2.876 -37.297 15.234 1.00 47.92 N ATOM 1517 CA LEU B 61 -3.904 -36.276 15.071 1.00 47.14 C ATOM 1518 C LEU B 61 -4.097 -35.960 13.591 1.00 47.09 C ATOM 1519 O LEU B 61 -5.218 -35.730 13.132 1.00 45.85 O ATOM 1520 CB LEU B 61 -3.494 -34.999 15.812 1.00 42.64 C ATOM 1521 CG LEU B 61 -4.317 -33.728 15.568 1.00 42.24 C ATOM 1522 CD1 LEU B 61 -5.710 -33.885 16.151 1.00 42.27 C ATOM 1523 CD2 LEU B 61 -3.613 -32.543 16.205 1.00 42.27 C ATOM 1524 N ILE B 62 -2.990 -35.950 12.854 1.00 37.89 N ATOM 1525 CA ILE B 62 -3.015 -35.657 11.427 1.00 37.27 C ATOM 1526 C ILE B 62 -3.578 -36.828 10.624 1.00 36.81 C ATOM 1527 O ILE B 62 -4.208 -36.631 9.586 1.00 35.60 O ATOM 1528 CB ILE B 62 -1.596 -35.333 10.904 1.00 48.21 C ATOM 1529 CG1 ILE B 62 -0.992 -34.183 11.712 1.00 48.26 C ATOM 1530 CG2 ILE B 62 -1.652 -34.956 9.430 1.00 47.85 C ATOM 1531 CD1 ILE B 62 -1.790 -32.900 11.648 1.00 48.93 C ATOM 1532 N LYS B 63 -3.354 -38.044 11.113 1.00 66.35 N ATOM 1533 CA LYS B 63 -3.829 -39.246 10.435 1.00 66.24 C ATOM 1534 C LYS B 63 -5.338 -39.433 10.562 1.00 66.65 C ATOM 1535 O LYS B 63 -6.085 -39.224 9.601 1.00 67.09 O ATOM 1536 CB LYS B 63 -3.116 -40.483 10.991 1.00 58.93 C ATOM 1537 CG LYS B 63 -3.469 -41.781 10.275 1.00 57.98 C ATOM 1538 CD LYS B 63 -2.723 -42.965 10.878 1.00 56.41 C ATOM 1539 CE LYS B 63 -2.974 -44.240 10.088 1.00 55.78 C ATOM 1540 NZ LYS B 63 -2.246 -45.409 10.664 1.00 55.47 N ATOM 1541 N VAL B 64 -5.782 -39.829 11.750 1.00 68.69 N ATOM 1542 CA VAL B 64 -7.200 -40.058 11.996 1.00 68.12 C ATOM 1543 C VAL B 64 -8.052 -38.870 11.564 1.00 68.22 C ATOM 1544 O VAL B 64 -9.188 -39.039 11.118 1.00 68.59 O ATOM 1545 CB VAL B 64 -7.469 -40.344 13.489 1.00 62.98 C ATOM 1546 CG1 VAL B 64 -7.183 -39.103 14.319 1.00 63.09 C ATOM 1547 CG2 VAL B 64 -8.904 -40.793 13.678 1.00 63.04 C ATOM 1548 N ARG B 65 -7.504 -37.667 11.699 1.00 69.79 N ATOM 1549 CA ARG B 65 -8.234 -36.465 11.321 1.00 69.66 C ATOM 1550 C ARG B 65 -7.324 -35.520 10.543 1.00 70.18 C ATOM 1551 O ARG B 65 -6.737 -34.592 11.105 1.00 70.48 O ATOM 1552 CB ARG B 65 -8.796 -35.776 12.574 1.00 79.06 C ATOM 1553 CG ARG B 65 -9.713 -36.682 13.407 1.00 79.30 C ATOM 1554 CD ARG B 65 -10.517 -35.907 14.453 1.00 80.35 C ATOM 1555 NE ARG B 65 -9.692 -35.315 15.508 1.00 81.33 N ATOM 1556 CZ ARG B 65 -9.047 -36.006 16.446 1.00 81.86 C ATOM 1557 NH1 ARG B 65 -9.120 -37.332 16.475 1.00 80.66 N ATOM 1558 NH2 ARG B 65 -8.332 -35.367 17.365 1.00 82.53 N ATOM 1559 N ARG B 66 -7.216 -35.775 9.242 1.00 82.48 N ATOM 1560 CA ARG B 66 -6.378 -34.980 8.353 1.00 83.09 C ATOM 1561 C ARG B 66 -6.865 -33.543 8.196 1.00 82.67 C ATOM 1562 O ARG B 66 -8.051 -33.299 7.959 1.00 83.94 O ATOM 1563 CB ARG B 66 -6.286 -35.659 6.980 1.00 67.53 C ATOM 1564 CG ARG B 66 -5.474 -36.951 7.002 1.00 69.10 C ATOM 1565 CD ARG B 66 -5.478 -37.707 5.679 1.00 70.14 C ATOM 1566 NE ARG B 66 -6.740 -38.401 5.432 1.00 72.44 N ATOM 1567 CZ ARG B 66 -6.878 -39.433 4.602 1.00 73.06 C ATOM 1568 NH1 ARG B 66 -5.829 -39.900 3.935 1.00 73.45 N ATOM 1569 NH2 ARG B 66 -8.068 -40.004 4.439 1.00 73.79 N ATOM 1570 N PRO B 67 -5.953 -32.569 8.359 1.00 41.02 N ATOM 1571 CA PRO B 67 -6.293 -31.150 8.228 1.00 39.80 C ATOM 1572 C PRO B 67 -6.193 -30.648 6.786 1.00 39.47 C ATOM 1573 O PRO B 67 -5.101 -30.388 6.274 1.00 37.37 O ATOM 1574 CB PRO B 67 -5.288 -30.475 9.154 1.00 45.55 C ATOM 1575 CG PRO B 67 -4.077 -31.331 8.993 1.00 45.30 C ATOM 1576 CD PRO B 67 -4.647 -32.735 9.027 1.00 45.79 C ATOM 1577 N HIS B 71 -0.106 -28.810 7.913 1.00 58.28 N ATOM 1578 CA HIS B 71 -1.172 -29.715 7.508 1.00 58.27 C ATOM 1579 C HIS B 71 -0.685 -31.158 7.467 1.00 57.89 C ATOM 1580 O HIS B 71 -0.947 -31.945 8.376 1.00 57.83 O ATOM 1581 CB HIS B 71 -1.702 -29.332 6.122 1.00 75.78 C ATOM 1582 CG HIS B 71 -2.344 -27.980 6.063 1.00 77.29 C ATOM 1583 ND1 HIS B 71 -3.469 -27.656 6.792 1.00 77.75 N ATOM 1584 CD2 HIS B 71 -2.028 -26.874 5.349 1.00 77.37 C ATOM 1585 CE1 HIS B 71 -3.818 -26.409 6.528 1.00 77.81 C ATOM 1586 NE2 HIS B 71 -2.961 -25.912 5.655 1.00 77.71 N ATOM 1587 N LYS B 72 0.032 -31.491 6.400 1.00 61.37 N ATOM 1588 CA LYS B 72 0.548 -32.838 6.191 1.00 60.84 C ATOM 1589 C LYS B 72 1.501 -33.328 7.273 1.00 59.45 C ATOM 1590 O LYS B 72 1.713 -32.664 8.286 1.00 59.54 O ATOM 1591 CB LYS B 72 1.244 -32.916 4.832 1.00 77.44 C ATOM 1592 CG LYS B 72 0.388 -32.441 3.669 1.00 78.58 C ATOM 1593 CD LYS B 72 -0.844 -33.313 3.471 1.00 79.31 C ATOM 1594 CE LYS B 72 -1.639 -32.851 2.257 1.00 80.38 C ATOM 1595 NZ LYS B 72 -2.856 -33.676 2.010 1.00 81.71 N ATOM 1596 N GLU B 73 2.081 -34.499 7.032 1.00 52.49 N ATOM 1597 CA GLU B 73 3.008 -35.125 7.964 1.00 51.57 C ATOM 1598 C GLU B 73 4.383 -34.463 7.960 1.00 50.58 C ATOM 1599 O GLU B 73 5.411 -35.133 7.820 1.00 50.82 O ATOM 1600 CB GLU B 73 3.142 -36.615 7.633 1.00 61.35 C ATOM 1601 CG GLU B 73 3.928 -37.424 8.654 1.00 63.13 C ATOM 1602 CD GLU B 73 4.001 -38.898 8.298 1.00 63.87 C ATOM 1603 OE1 GLU B 73 2.942 -39.565 8.283 1.00 64.86 O ATOM 1604 OE2 GLU B 73 5.117 -39.391 8.028 1.00 64.25 O ATOM 1605 N GLN B 74 4.393 -33.141 8.109 1.00 65.40 N ATOM 1606 CA GLN B 74 5.633 -32.379 8.153 1.00 62.40 C ATOM 1607 C GLN B 74 5.963 -32.204 9.630 1.00 59.71 C ATOM 1608 O GLN B 74 6.668 -31.276 10.036 1.00 57.75 O ATOM 1609 CB GLN B 74 5.453 -31.016 7.484 1.00 69.12 C ATOM 1610 CG GLN B 74 4.795 -31.074 6.105 1.00 71.61 C ATOM 1611 CD GLN B 74 5.394 -32.145 5.201 1.00 72.55 C ATOM 1612 OE1 GLN B 74 5.217 -33.342 5.435 1.00 72.34 O ATOM 1613 NE2 GLN B 74 6.102 -31.715 4.161 1.00 72.61 N ATOM 1614 N ILE B 75 5.413 -33.115 10.425 1.00 35.18 N ATOM 1615 CA ILE B 75 5.611 -33.144 11.865 1.00 31.77 C ATOM 1616 C ILE B 75 7.045 -33.568 12.162 1.00 29.31 C ATOM 1617 O ILE B 75 7.634 -33.153 13.161 1.00 27.58 O ATOM 1618 CB ILE B 75 4.643 -34.152 12.528 1.00 37.29 C ATOM 1619 CG1 ILE B 75 3.225 -33.577 12.559 1.00 38.91 C ATOM 1620 CG2 ILE B 75 5.114 -34.497 13.926 1.00 37.62 C ATOM 1621 CD1 ILE B 75 2.570 -33.483 11.207 1.00 39.73 C ATOM 1622 N GLU B 76 7.595 -34.405 11.288 1.00 29.70 N ATOM 1623 CA GLU B 76 8.955 -34.893 11.452 1.00 28.67 C ATOM 1624 C GLU B 76 9.931 -33.747 11.267 1.00 26.33 C ATOM 1625 O GLU B 76 10.991 -33.718 11.890 1.00 26.27 O ATOM 1626 CB GLU B 76 9.257 -35.996 10.437 1.00 46.18 C ATOM 1627 CG GLU B 76 10.583 -36.692 10.684 1.00 49.35 C ATOM 1628 CD GLU B 76 10.641 -37.351 12.050 1.00 50.92 C ATOM 1629 OE1 GLU B 76 9.775 -38.210 12.326 1.00 52.41 O ATOM 1630 OE2 GLU B 76 11.545 -37.011 12.846 1.00 51.20 O ATOM 1631 N ALA B 77 9.567 -32.801 10.407 1.00 21.92 N ATOM 1632 CA ALA B 77 10.413 -31.643 10.154 1.00 20.35 C ATOM 1633 C ALA B 77 10.502 -30.743 11.384 1.00 18.86 C ATOM 1634 O ALA B 77 11.592 -30.331 11.773 1.00 17.24 O ATOM 1635 CB ALA B 77 9.873 -30.850 8.966 1.00 25.17 C ATOM 1636 N VAL B 78 9.363 -30.434 11.999 1.00 27.91 N ATOM 1637 CA VAL B 78 9.387 -29.574 13.176 1.00 28.54 C ATOM 1638 C VAL B 78 10.045 -30.285 14.337 1.00 28.89 C ATOM 1639 O VAL B 78 10.752 -29.663 15.130 1.00 29.02 O ATOM 1640 CB VAL B 78 7.976 -29.118 13.605 1.00 48.03 C ATOM 1641 CG1 VAL B 78 7.432 -28.127 12.602 1.00 49.55 C ATOM 1642 CG2 VAL B 78 7.057 -30.304 13.728 1.00 49.34 C ATOM 1643 N LYS B 79 9.809 -31.589 14.439 1.00 30.09 N ATOM 1644 CA LYS B 79 10.403 -32.376 15.509 1.00 32.01 C ATOM 1645 C LYS B 79 11.912 -32.136 15.526 1.00 31.31 C ATOM 1646 O LYS B 79 12.509 -31.941 16.589 1.00 32.65 O ATOM 1647 CB LYS B 79 10.109 -33.864 15.293 1.00 44.44 C ATOM 1648 CG LYS B 79 10.896 -34.803 16.199 1.00 48.66 C ATOM 1649 CD LYS B 79 10.590 -36.262 15.875 1.00 50.21 C ATOM 1650 CE LYS B 79 11.626 -37.194 16.491 1.00 50.88 C ATOM 1651 NZ LYS B 79 12.988 -36.930 15.933 1.00 50.50 N ATOM 1652 N ASP B 80 12.516 -32.127 14.341 1.00 24.90 N ATOM 1653 CA ASP B 80 13.956 -31.917 14.205 1.00 25.06 C ATOM 1654 C ASP B 80 14.394 -30.452 14.248 1.00 24.38 C ATOM 1655 O ASP B 80 15.370 -30.120 14.915 1.00 25.25 O ATOM 1656 CB ASP B 80 14.460 -32.557 12.906 1.00 29.80 C ATOM 1657 CG ASP B 80 14.387 -34.079 12.932 1.00 31.36 C ATOM 1658 OD1 ASP B 80 13.900 -34.642 13.938 1.00 32.44 O ATOM 1659 OD2 ASP B 80 14.820 -34.715 11.948 1.00 33.24 O ATOM 1660 N ASN B 81 13.691 -29.575 13.537 1.00 23.64 N ATOM 1661 CA ASN B 81 14.063 -28.160 13.532 1.00 23.38 C ATOM 1662 C ASN B 81 13.884 -27.518 14.896 1.00 22.81 C ATOM 1663 O ASN B 81 14.572 -26.553 15.230 1.00 22.23 O ATOM 1664 CB ASN B 81 13.254 -27.382 12.500 1.00 24.86 C ATOM 1665 CG ASN B 81 13.592 -27.779 11.086 1.00 25.16 C ATOM 1666 OD1 ASN B 81 14.766 -27.851 10.713 1.00 27.01 O ATOM 1667 ND2 ASN B 81 12.570 -28.033 10.284 1.00 26.02 N ATOM 1668 N PHE B 82 12.946 -28.044 15.675 1.00 26.57 N ATOM 1669 CA PHE B 82 12.697 -27.532 17.013 1.00 25.23 C ATOM 1670 C PHE B 82 13.990 -27.721 17.797 1.00 26.16 C ATOM 1671 O PHE B 82 14.511 -26.774 18.384 1.00 24.69 O ATOM 1672 CB PHE B 82 11.558 -28.321 17.662 1.00 18.84 C ATOM 1673 CG PHE B 82 11.264 -27.928 19.085 1.00 18.71 C ATOM 1674 CD1 PHE B 82 10.821 -26.647 19.400 1.00 18.73 C ATOM 1675 CD2 PHE B 82 11.400 -28.859 20.114 1.00 19.48 C ATOM 1676 CE1 PHE B 82 10.516 -26.298 20.721 1.00 18.33 C ATOM 1677 CE2 PHE B 82 11.098 -28.518 21.437 1.00 19.31 C ATOM 1678 CZ PHE B 82 10.655 -27.234 21.737 1.00 18.13 C ATOM 1679 N LEU B 83 14.516 -28.945 17.785 1.00 27.55 N ATOM 1680 CA LEU B 83 15.755 -29.247 18.502 1.00 27.56 C ATOM 1681 C LEU B 83 16.922 -28.403 18.012 1.00 25.86 C ATOM 1682 O LEU B 83 17.738 -27.937 18.808 1.00 24.58 O ATOM 1683 CB LEU B 83 16.106 -30.730 18.372 1.00 34.07 C ATOM 1684 CG LEU B 83 15.473 -31.698 19.375 1.00 36.29 C ATOM 1685 CD1 LEU B 83 13.972 -31.510 19.387 1.00 39.74 C ATOM 1686 CD2 LEU B 83 15.833 -33.139 19.004 1.00 34.07 C ATOM 1687 N GLU B 84 17.015 -28.221 16.702 1.00 19.29 N ATOM 1688 CA GLU B 84 18.083 -27.409 16.148 1.00 19.71 C ATOM 1689 C GLU B 84 17.904 -25.969 16.626 1.00 18.45 C ATOM 1690 O GLU B 84 18.879 -25.256 16.867 1.00 17.55 O ATOM 1691 CB GLU B 84 18.054 -27.463 14.621 1.00 25.39 C ATOM 1692 CG GLU B 84 18.908 -26.402 13.945 1.00 31.91 C ATOM 1693 CD GLU B 84 19.061 -26.640 12.448 1.00 37.69 C ATOM 1694 OE1 GLU B 84 18.112 -27.173 11.828 1.00 40.04 O ATOM 1695 OE2 GLU B 84 20.124 -26.285 11.892 1.00 39.43 O ATOM 1696 N LEU B 85 16.646 -25.556 16.761 1.00 19.72 N ATOM 1697 CA LEU B 85 16.315 -24.206 17.220 1.00 19.84 C ATOM 1698 C LEU B 85 16.849 -24.053 18.642 1.00 18.22 C ATOM 1699 O LEU B 85 17.522 -23.078 18.976 1.00 18.32 O ATOM 1700 CB LEU B 85 14.788 -24.011 17.188 1.00 24.03 C ATOM 1701 CG LEU B 85 14.134 -22.639 17.425 1.00 27.28 C ATOM 1702 CD1 LEU B 85 14.391 -22.151 18.843 1.00 27.05 C ATOM 1703 CD2 LEU B 85 14.664 -21.652 16.407 1.00 30.77 C ATOM 1704 N VAL B 86 16.559 -25.043 19.475 1.00 16.18 N ATOM 1705 CA VAL B 86 17.006 -25.022 20.858 1.00 14.67 C ATOM 1706 C VAL B 86 18.531 -24.998 20.951 1.00 14.46 C ATOM 1707 O VAL B 86 19.103 -24.223 21.713 1.00 11.88 O ATOM 1708 CB VAL B 86 16.467 -26.247 21.613 1.00 16.41 C ATOM 1709 CG1 VAL B 86 16.992 -26.252 23.046 1.00 18.10 C ATOM 1710 CG2 VAL B 86 14.943 -26.231 21.590 1.00 16.67 C ATOM 1711 N LEU B 87 19.186 -25.841 20.163 1.00 15.61 N ATOM 1712 CA LEU B 87 20.640 -25.899 20.194 1.00 17.89 C ATOM 1713 C LEU B 87 21.269 -24.556 19.847 1.00 17.60 C ATOM 1714 O LEU B 87 22.108 -24.045 20.585 1.00 18.59 O ATOM 1715 CB LEU B 87 21.151 -26.971 19.226 1.00 22.30 C ATOM 1716 CG LEU B 87 22.670 -27.172 19.192 1.00 24.76 C ATOM 1717 CD1 LEU B 87 23.200 -27.408 20.596 1.00 24.90 C ATOM 1718 CD2 LEU B 87 23.010 -28.348 18.285 1.00 26.54 C ATOM 1719 N GLN B 88 20.848 -23.981 18.726 1.00 21.00 N ATOM 1720 CA GLN B 88 21.391 -22.706 18.282 1.00 20.56 C ATOM 1721 C GLN B 88 21.021 -21.534 19.190 1.00 19.44 C ATOM 1722 O GLN B 88 21.714 -20.516 19.190 1.00 17.33 O ATOM 1723 CB GLN B 88 20.942 -22.406 16.850 1.00 24.48 C ATOM 1724 CG GLN B 88 21.548 -23.313 15.786 1.00 26.21 C ATOM 1725 CD GLN B 88 23.068 -23.322 15.820 1.00 29.70 C ATOM 1726 OE1 GLN B 88 23.707 -22.280 15.974 1.00 27.45 O ATOM 1727 NE2 GLN B 88 23.656 -24.504 15.661 1.00 29.84 N ATOM 1728 N SER B 89 19.948 -21.664 19.967 1.00 18.55 N ATOM 1729 CA SER B 89 19.564 -20.558 20.845 1.00 19.22 C ATOM 1730 C SER B 89 20.661 -20.355 21.881 1.00 18.61 C ATOM 1731 O SER B 89 20.756 -19.291 22.483 1.00 16.33 O ATOM 1732 CB SER B 89 18.219 -20.817 21.543 1.00 15.07 C ATOM 1733 OG SER B 89 18.331 -21.726 22.631 1.00 19.16 O ATOM 1734 N TYR B 90 21.498 -21.377 22.070 1.00 17.96 N ATOM 1735 CA TYR B 90 22.601 -21.292 23.032 1.00 19.32 C ATOM 1736 C TYR B 90 23.946 -21.035 22.360 1.00 20.15 C ATOM 1737 O TYR B 90 24.710 -20.175 22.805 1.00 23.53 O ATOM 1738 CB TYR B 90 22.701 -22.577 23.859 1.00 16.76 C ATOM 1739 CG TYR B 90 21.529 -22.796 24.768 1.00 17.56 C ATOM 1740 CD1 TYR B 90 21.415 -22.099 25.969 1.00 18.75 C ATOM 1741 CD2 TYR B 90 20.504 -23.668 24.408 1.00 16.96 C ATOM 1742 CE1 TYR B 90 20.298 -22.261 26.788 1.00 17.83 C ATOM 1743 CE2 TYR B 90 19.390 -23.835 25.215 1.00 16.26 C ATOM 1744 CZ TYR B 90 19.290 -23.134 26.396 1.00 17.77 C ATOM 1745 OH TYR B 90 18.181 -23.291 27.180 1.00 17.50 O ATOM 1746 N VAL B 91 24.231 -21.775 21.293 1.00 19.06 N ATOM 1747 CA VAL B 91 25.502 -21.641 20.577 1.00 22.52 C ATOM 1748 C VAL B 91 25.509 -20.488 19.575 1.00 23.81 C ATOM 1749 O VAL B 91 26.563 -19.915 19.278 1.00 22.89 O ATOM 1750 CB VAL B 91 25.867 -22.964 19.838 1.00 27.61 C ATOM 1751 CG1 VAL B 91 26.082 -24.082 20.850 1.00 26.13 C ATOM 1752 CG2 VAL B 91 24.759 -23.350 18.868 1.00 27.24 C ATOM 1753 N HIS B 92 24.325 -20.149 19.075 1.00 25.58 N ATOM 1754 CA HIS B 92 24.144 -19.079 18.104 1.00 28.98 C ATOM 1755 C HIS B 92 25.231 -18.992 17.033 1.00 32.11 C ATOM 1756 O HIS B 92 25.805 -17.929 16.801 1.00 31.58 O ATOM 1757 CB HIS B 92 23.971 -17.724 18.816 1.00 29.52 C ATOM 1758 CG HIS B 92 25.110 -17.337 19.709 1.00 29.63 C ATOM 1759 ND1 HIS B 92 26.323 -16.896 19.225 1.00 32.87 N ATOM 1760 CD2 HIS B 92 25.211 -17.305 21.059 1.00 29.68 C ATOM 1761 CE1 HIS B 92 27.121 -16.606 20.239 1.00 31.76 C ATOM 1762 NE2 HIS B 92 26.471 -16.846 21.363 1.00 29.82 N ATOM 1763 N HIS B 93 25.488 -20.118 16.369 1.00 42.16 N ATOM 1764 CA HIS B 93 26.492 -20.185 15.310 1.00 46.50 C ATOM 1765 C HIS B 93 25.915 -19.940 13.918 1.00 46.80 C ATOM 1766 O HIS B 93 26.501 -19.205 13.120 1.00 47.59 O ATOM 1767 CB HIS B 93 27.203 -21.542 15.331 1.00 84.69 C ATOM 1768 CG HIS B 93 28.263 -21.650 16.381 1.00 89.46 C ATOM 1769 ND1 HIS B 93 27.991 -21.557 17.730 1.00 90.77 N ATOM 1770 CD2 HIS B 93 29.604 -21.813 16.280 1.00 91.12 C ATOM 1771 CE1 HIS B 93 29.117 -21.656 18.413 1.00 91.39 C ATOM 1772 NE2 HIS B 93 30.111 -21.812 17.558 1.00 92.60 N ATOM 1773 N ILE B 94 24.776 -20.555 13.618 1.00 35.12 N ATOM 1774 CA ILE B 94 24.162 -20.370 12.306 1.00 34.61 C ATOM 1775 C ILE B 94 23.770 -18.907 12.122 1.00 35.53 C ATOM 1776 O ILE B 94 23.623 -18.173 13.098 1.00 34.56 O ATOM 1777 CB ILE B 94 22.908 -21.255 12.135 1.00 31.79 C ATOM 1778 CG1 ILE B 94 21.835 -20.850 13.143 1.00 30.77 C ATOM 1779 CG2 ILE B 94 23.276 -22.718 12.326 1.00 31.34 C ATOM 1780 CD1 ILE B 94 20.516 -21.547 12.925 1.00 29.84 C ATOM 1781 N HIS B 95 23.612 -18.486 10.870 1.00 31.96 N ATOM 1782 CA HIS B 95 23.245 -17.107 10.566 1.00 33.50 C ATOM 1783 C HIS B 95 21.819 -16.760 10.962 1.00 33.37 C ATOM 1784 O HIS B 95 20.952 -17.627 11.050 1.00 32.80 O ATOM 1785 CB HIS B 95 23.439 -16.817 9.076 1.00 59.55 C ATOM 1786 CG HIS B 95 24.856 -16.518 8.700 1.00 62.76 C ATOM 1787 ND1 HIS B 95 25.224 -16.140 7.427 1.00 64.03 N ATOM 1788 CD2 HIS B 95 25.995 -16.532 9.432 1.00 63.58 C ATOM 1789 CE1 HIS B 95 26.528 -15.934 7.391 1.00 64.36 C ATOM 1790 NE2 HIS B 95 27.020 -16.165 8.595 1.00 64.56 N ATOM 1791 N LYS B 96 21.589 -15.473 11.186 1.00 55.59 N ATOM 1792 CA LYS B 96 20.283 -14.975 11.588 1.00 55.85 C ATOM 1793 C LYS B 96 19.198 -15.307 10.567 1.00 54.44 C ATOM 1794 O LYS B 96 18.042 -15.518 10.933 1.00 54.91 O ATOM 1795 CB LYS B 96 20.360 -13.463 11.815 1.00 56.69 C ATOM 1796 CG LYS B 96 19.172 -12.878 12.561 1.00 58.95 C ATOM 1797 CD LYS B 96 19.484 -11.479 13.075 1.00 61.10 C ATOM 1798 CE LYS B 96 20.610 -11.497 14.103 1.00 60.26 C ATOM 1799 NZ LYS B 96 20.964 -10.126 14.557 1.00 62.38 N ATOM 1800 N LYS B 97 19.568 -15.366 9.291 1.00 34.07 N ATOM 1801 CA LYS B 97 18.604 -15.683 8.242 1.00 32.15 C ATOM 1802 C LYS B 97 18.102 -17.117 8.394 1.00 30.37 C ATOM 1803 O LYS B 97 16.898 -17.364 8.431 1.00 29.70 O ATOM 1804 CB LYS B 97 19.241 -15.515 6.860 1.00 61.72 C ATOM 1805 CG LYS B 97 18.269 -15.737 5.711 1.00 63.30 C ATOM 1806 CD LYS B 97 18.983 -15.838 4.370 1.00 64.47 C ATOM 1807 CE LYS B 97 17.983 -16.052 3.243 1.00 64.76 C ATOM 1808 NZ LYS B 97 17.094 -17.225 3.506 1.00 64.34 N ATOM 1809 N ARG B 98 19.034 -18.059 8.476 1.00 26.65 N ATOM 1810 CA ARG B 98 18.692 -19.468 8.625 1.00 24.90 C ATOM 1811 C ARG B 98 17.959 -19.731 9.944 1.00 22.39 C ATOM 1812 O ARG B 98 17.058 -20.569 10.003 1.00 20.50 O ATOM 1813 CB ARG B 98 19.959 -20.326 8.548 1.00 57.42 C ATOM 1814 CG ARG B 98 19.770 -21.792 8.932 1.00 61.22 C ATOM 1815 CD ARG B 98 18.766 -22.509 8.040 1.00 63.58 C ATOM 1816 NE ARG B 98 18.533 -23.882 8.486 1.00 66.73 N ATOM 1817 CZ ARG B 98 17.627 -24.701 7.958 1.00 67.33 C ATOM 1818 NH1 ARG B 98 16.861 -24.289 6.956 1.00 68.18 N ATOM 1819 NH2 ARG B 98 17.481 -25.931 8.439 1.00 66.98 N ATOM 1820 N PHE B 99 18.342 -19.018 10.998 1.00 24.54 N ATOM 1821 CA PHE B 99 17.693 -19.201 12.293 1.00 22.63 C ATOM 1822 C PHE B 99 16.251 -18.717 12.233 1.00 21.28 C ATOM 1823 O PHE B 99 15.341 -19.364 12.753 1.00 19.60 O ATOM 1824 CB PHE B 99 18.424 -18.427 13.379 1.00 19.82 C ATOM 1825 CG PHE B 99 17.901 -18.699 14.754 1.00 19.64 C ATOM 1826 CD1 PHE B 99 18.316 -19.824 15.457 1.00 18.51 C ATOM 1827 CD2 PHE B 99 16.955 -17.857 15.331 1.00 18.23 C ATOM 1828 CE1 PHE B 99 17.795 -20.110 16.715 1.00 19.41 C ATOM 1829 CE2 PHE B 99 16.426 -18.134 16.589 1.00 16.91 C ATOM 1830 CZ PHE B 99 16.847 -19.264 17.281 1.00 19.39 C ATOM 1831 N LYS B 100 16.058 -17.563 11.604 1.00 26.71 N ATOM 1832 CA LYS B 100 14.733 -16.977 11.447 1.00 28.18 C ATOM 1833 C LYS B 100 13.853 -17.887 10.591 1.00 27.56 C ATOM 1834 O LYS B 100 12.671 -18.063 10.882 1.00 27.16 O ATOM 1835 CB LYS B 100 14.848 -15.595 10.793 1.00 26.07 C ATOM 1836 CG LYS B 100 13.519 -14.938 10.457 1.00 28.60 C ATOM 1837 CD LYS B 100 12.672 -14.720 11.695 1.00 27.64 C ATOM 1838 CE LYS B 100 11.404 -13.944 11.366 1.00 30.72 C ATOM 1839 NZ LYS B 100 10.613 -13.618 12.587 1.00 29.24 N ATOM 1840 N ASP B 101 14.428 -18.465 9.537 1.00 24.01 N ATOM 1841 CA ASP B 101 13.668 -19.354 8.661 1.00 24.27 C ATOM 1842 C ASP B 101 13.160 -20.568 9.432 1.00 23.35 C ATOM 1843 O ASP B 101 12.030 -21.013 9.231 1.00 21.73 O ATOM 1844 CB ASP B 101 14.523 -19.827 7.475 1.00 36.59 C ATOM 1845 CG ASP B 101 14.957 -18.685 6.578 1.00 41.37 C ATOM 1846 OD1 ASP B 101 14.193 -17.702 6.456 1.00 43.29 O ATOM 1847 OD2 ASP B 101 16.054 -18.770 5.981 1.00 44.52 O ATOM 1848 N ILE B 102 14.006 -21.101 10.307 1.00 18.58 N ATOM 1849 CA ILE B 102 13.646 -22.260 11.120 1.00 18.20 C ATOM 1850 C ILE B 102 12.560 -21.901 12.136 1.00 15.89 C ATOM 1851 O ILE B 102 11.599 -22.649 12.335 1.00 13.59 O ATOM 1852 CB ILE B 102 14.872 -22.801 11.894 1.00 27.42 C ATOM 1853 CG1 ILE B 102 15.931 -23.304 10.914 1.00 28.43 C ATOM 1854 CG2 ILE B 102 14.448 -23.917 12.824 1.00 27.57 C ATOM 1855 CD1 ILE B 102 17.230 -23.730 11.587 1.00 32.14 C ATOM 1856 N THR B 103 12.722 -20.752 12.779 1.00 18.55 N ATOM 1857 CA THR B 103 11.763 -20.308 13.778 1.00 17.61 C ATOM 1858 C THR B 103 10.370 -20.135 13.184 1.00 16.39 C ATOM 1859 O THR B 103 9.383 -20.564 13.776 1.00 15.12 O ATOM 1860 CB THR B 103 12.190 -18.974 14.417 1.00 19.54 C ATOM 1861 OG1 THR B 103 13.465 -19.133 15.056 1.00 22.53 O ATOM 1862 CG2 THR B 103 11.168 -18.549 15.453 1.00 21.07 C ATOM 1863 N GLU B 104 10.293 -19.488 12.024 1.00 11.74 N ATOM 1864 CA GLU B 104 9.007 -19.277 11.367 1.00 13.77 C ATOM 1865 C GLU B 104 8.369 -20.616 10.996 1.00 13.40 C ATOM 1866 O GLU B 104 7.172 -20.806 11.179 1.00 11.47 O ATOM 1867 CB GLU B 104 9.182 -18.433 10.108 1.00 21.91 C ATOM 1868 CG GLU B 104 9.661 -17.014 10.356 1.00 25.26 C ATOM 1869 CD GLU B 104 9.848 -16.242 9.061 1.00 28.00 C ATOM 1870 OE1 GLU B 104 8.958 -16.308 8.191 1.00 29.53 O ATOM 1871 OE2 GLU B 104 10.882 -15.560 8.914 1.00 33.86 O ATOM 1872 N SER B 105 9.178 -21.540 10.479 1.00 17.71 N ATOM 1873 CA SER B 105 8.699 -22.866 10.084 1.00 17.40 C ATOM 1874 C SER B 105 8.134 -23.619 11.291 1.00 16.91 C ATOM 1875 O SER B 105 6.986 -24.066 11.285 1.00 17.66 O ATOM 1876 CB SER B 105 9.844 -23.675 9.469 1.00 19.77 C ATOM 1877 OG SER B 105 9.390 -24.956 9.078 1.00 24.47 O ATOM 1878 N VAL B 106 8.963 -23.755 12.319 1.00 15.59 N ATOM 1879 CA VAL B 106 8.578 -24.426 13.554 1.00 14.61 C ATOM 1880 C VAL B 106 7.282 -23.825 14.094 1.00 13.48 C ATOM 1881 O VAL B 106 6.295 -24.532 14.284 1.00 14.09 O ATOM 1882 CB VAL B 106 9.685 -24.271 14.623 1.00 12.15 C ATOM 1883 CG1 VAL B 106 9.164 -24.683 15.989 1.00 10.74 C ATOM 1884 CG2 VAL B 106 10.908 -25.100 14.238 1.00 14.28 C ATOM 1885 N LEU B 107 7.285 -22.520 14.352 1.00 16.26 N ATOM 1886 CA LEU B 107 6.090 -21.861 14.884 1.00 18.99 C ATOM 1887 C LEU B 107 4.831 -22.053 14.038 1.00 19.38 C ATOM 1888 O LEU B 107 3.739 -22.253 14.576 1.00 19.46 O ATOM 1889 CB LEU B 107 6.354 -20.366 15.080 1.00 16.95 C ATOM 1890 CG LEU B 107 7.247 -20.041 16.276 1.00 17.57 C ATOM 1891 CD1 LEU B 107 7.633 -18.572 16.234 1.00 19.11 C ATOM 1892 CD2 LEU B 107 6.522 -20.370 17.568 1.00 14.46 C ATOM 1893 N TYR B 108 4.978 -21.992 12.718 1.00 17.47 N ATOM 1894 CA TYR B 108 3.834 -22.172 11.834 1.00 19.41 C ATOM 1895 C TYR B 108 3.157 -23.522 12.042 1.00 20.47 C ATOM 1896 O TYR B 108 1.935 -23.604 12.171 1.00 20.24 O ATOM 1897 CB TYR B 108 4.263 -22.065 10.372 1.00 24.94 C ATOM 1898 CG TYR B 108 3.184 -22.503 9.409 1.00 26.98 C ATOM 1899 CD1 TYR B 108 2.041 -21.726 9.209 1.00 28.51 C ATOM 1900 CD2 TYR B 108 3.294 -23.706 8.717 1.00 27.79 C ATOM 1901 CE1 TYR B 108 1.033 -22.137 8.338 1.00 30.14 C ATOM 1902 CE2 TYR B 108 2.291 -24.129 7.843 1.00 30.67 C ATOM 1903 CZ TYR B 108 1.163 -23.337 7.660 1.00 31.06 C ATOM 1904 OH TYR B 108 0.171 -23.747 6.798 1.00 35.59 O ATOM 1905 N THR B 109 3.952 -24.586 12.048 1.00 23.01 N ATOM 1906 CA THR B 109 3.399 -25.923 12.228 1.00 23.16 C ATOM 1907 C THR B 109 2.798 -26.085 13.620 1.00 21.57 C ATOM 1908 O THR B 109 1.715 -26.652 13.773 1.00 21.44 O ATOM 1909 CB THR B 109 4.470 -27.012 11.988 1.00 28.91 C ATOM 1910 OG1 THR B 109 4.993 -26.880 10.655 1.00 29.49 O ATOM 1911 CG2 THR B 109 3.864 -28.401 12.149 1.00 26.02 C ATOM 1912 N LEU B 110 3.480 -25.577 14.640 1.00 23.49 N ATOM 1913 CA LEU B 110 2.953 -25.694 15.999 1.00 22.66 C ATOM 1914 C LEU B 110 1.590 -25.012 16.114 1.00 23.26 C ATOM 1915 O LEU B 110 0.609 -25.637 16.529 1.00 23.40 O ATOM 1916 CB LEU B 110 3.937 -25.094 17.011 1.00 16.35 C ATOM 1917 CG LEU B 110 5.283 -25.828 17.120 1.00 20.08 C ATOM 1918 CD1 LEU B 110 6.199 -25.059 18.052 1.00 17.38 C ATOM 1919 CD2 LEU B 110 5.072 -27.265 17.623 1.00 18.32 C ATOM 1920 N HIS B 111 1.522 -23.734 15.751 1.00 19.36 N ATOM 1921 CA HIS B 111 0.258 -23.019 15.818 1.00 21.40 C ATOM 1922 C HIS B 111 -0.801 -23.672 14.941 1.00 22.56 C ATOM 1923 O HIS B 111 -1.990 -23.662 15.281 1.00 22.94 O ATOM 1924 CB HIS B 111 0.430 -21.555 15.404 1.00 16.64 C ATOM 1925 CG HIS B 111 0.944 -20.678 16.500 1.00 18.46 C ATOM 1926 ND1 HIS B 111 2.284 -20.402 16.668 1.00 19.48 N ATOM 1927 CD2 HIS B 111 0.298 -20.040 17.505 1.00 17.80 C ATOM 1928 CE1 HIS B 111 2.441 -19.631 17.730 1.00 18.45 C ATOM 1929 NE2 HIS B 111 1.251 -19.397 18.255 1.00 20.06 N ATOM 1930 N ALA B 112 -0.379 -24.236 13.813 1.00 20.90 N ATOM 1931 CA ALA B 112 -1.325 -24.885 12.913 1.00 23.96 C ATOM 1932 C ALA B 112 -1.959 -26.049 13.656 1.00 26.09 C ATOM 1933 O ALA B 112 -3.167 -26.256 13.587 1.00 27.83 O ATOM 1934 CB ALA B 112 -0.615 -25.385 11.662 1.00 21.09 C ATOM 1935 N VAL B 113 -1.131 -26.800 14.380 1.00 25.70 N ATOM 1936 CA VAL B 113 -1.606 -27.945 15.146 1.00 26.57 C ATOM 1937 C VAL B 113 -2.383 -27.480 16.365 1.00 27.98 C ATOM 1938 O VAL B 113 -3.348 -28.120 16.776 1.00 26.88 O ATOM 1939 CB VAL B 113 -0.436 -28.834 15.598 1.00 23.53 C ATOM 1940 CG1 VAL B 113 -0.942 -29.959 16.475 1.00 23.88 C ATOM 1941 CG2 VAL B 113 0.272 -29.398 14.382 1.00 23.77 C ATOM 1942 N LYS B 114 -1.959 -26.360 16.939 1.00 32.48 N ATOM 1943 CA LYS B 114 -2.631 -25.801 18.106 1.00 35.39 C ATOM 1944 C LYS B 114 -4.055 -25.426 17.701 1.00 37.77 C ATOM 1945 O LYS B 114 -4.989 -25.542 18.496 1.00 37.05 O ATOM 1946 CB LYS B 114 -1.886 -24.554 18.597 1.00 46.72 C ATOM 1947 CG LYS B 114 -2.369 -24.000 19.941 1.00 47.96 C ATOM 1948 CD LYS B 114 -1.669 -22.678 20.263 1.00 47.78 C ATOM 1949 CE LYS B 114 -1.865 -22.252 21.712 1.00 48.24 C ATOM 1950 NZ LYS B 114 -3.288 -22.014 22.065 1.00 49.37 N ATOM 1951 N ASP B 115 -4.212 -24.981 16.456 1.00 37.43 N ATOM 1952 CA ASP B 115 -5.520 -24.588 15.943 1.00 41.07 C ATOM 1953 C ASP B 115 -6.371 -25.804 15.603 1.00 42.20 C ATOM 1954 O ASP B 115 -7.568 -25.836 15.885 1.00 42.99 O ATOM 1955 CB ASP B 115 -5.375 -23.706 14.696 1.00 56.15 C ATOM 1956 CG ASP B 115 -4.666 -22.392 14.981 1.00 57.48 C ATOM 1957 OD1 ASP B 115 -4.961 -21.762 16.019 1.00 58.21 O ATOM 1958 OD2 ASP B 115 -3.821 -21.979 14.156 1.00 59.48 O ATOM 1959 N GLU B 116 -5.744 -26.807 15.000 1.00 44.82 N ATOM 1960 CA GLU B 116 -6.439 -28.028 14.618 1.00 46.95 C ATOM 1961 C GLU B 116 -7.062 -28.689 15.841 1.00 48.39 C ATOM 1962 O GLU B 116 -8.057 -29.405 15.728 1.00 48.09 O ATOM 1963 CB GLU B 116 -5.468 -28.994 13.936 1.00 58.63 C ATOM 1964 CG GLU B 116 -6.138 -30.190 13.289 1.00 60.67 C ATOM 1965 CD GLU B 116 -7.224 -29.785 12.304 1.00 62.21 C ATOM 1966 OE1 GLU B 116 -6.938 -28.987 11.386 1.00 62.57 O ATOM 1967 OE2 GLU B 116 -8.366 -30.270 12.449 1.00 63.76 O ATOM 1968 N ILE B 117 -6.471 -28.443 17.007 1.00 55.93 N ATOM 1969 CA ILE B 117 -6.982 -28.995 18.256 1.00 57.78 C ATOM 1970 C ILE B 117 -7.865 -27.932 18.904 1.00 60.15 C ATOM 1971 O ILE B 117 -7.463 -27.267 19.859 1.00 60.81 O ATOM 1972 CB ILE B 117 -5.841 -29.346 19.234 1.00 36.15 C ATOM 1973 CG1 ILE B 117 -4.792 -30.206 18.530 1.00 34.95 C ATOM 1974 CG2 ILE B 117 -6.400 -30.093 20.437 1.00 35.41 C ATOM 1975 CD1 ILE B 117 -3.542 -30.437 19.357 1.00 34.20 C ATOM 1976 N ALA B 118 -9.065 -27.768 18.360 1.00 69.48 N ATOM 1977 CA ALA B 118 -10.028 -26.793 18.859 1.00 71.56 C ATOM 1978 C ALA B 118 -11.395 -27.185 18.319 1.00 73.45 C ATOM 1979 O ALA B 118 -12.165 -26.341 17.860 1.00 73.62 O ATOM 1980 CB ALA B 118 -9.652 -25.399 18.386 1.00 68.34 C ATOM 1981 N ARG B 119 -11.675 -28.484 18.378 1.00 82.63 N ATOM 1982 CA ARG B 119 -12.929 -29.059 17.903 1.00 84.84 C ATOM 1983 C ARG B 119 -14.144 -28.440 18.600 1.00 85.53 C ATOM 1984 O ARG B 119 -14.976 -27.821 17.900 1.00 85.82 O ATOM 1985 CB ARG B 119 -12.922 -30.570 18.149 1.00 70.10 C ATOM 1986 CG ARG B 119 -11.618 -31.263 17.772 1.00 71.34 C ATOM 1987 CD ARG B 119 -11.396 -31.295 16.269 1.00 72.89 C ATOM 1988 NE ARG B 119 -10.148 -31.971 15.922 1.00 74.31 N ATOM 1989 CZ ARG B 119 -9.776 -32.275 14.681 1.00 74.89 C ATOM 1990 NH1 ARG B 119 -10.557 -31.964 13.655 1.00 75.66 N ATOM 1991 NH2 ARG B 119 -8.621 -32.889 14.463 1.00 74.78 N TER 1993 ARG B 119 HETATM 1993 P PO4 A 201 11.113 -9.680 13.271 1.00 61.93 P HETATM 1994 O1 PO4 A 201 11.853 -8.442 12.900 1.00 60.04 O HETATM 1995 O2 PO4 A 201 11.981 -10.539 14.129 1.00 59.07 O HETATM 1996 O3 PO4 A 201 10.740 -10.423 12.038 1.00 59.77 O HETATM 1997 O4 PO4 A 201 9.882 -9.317 14.017 1.00 59.41 O HETATM 1998 O HOH A 202 2.180 -15.054 20.483 1.00 8.62 O HETATM 1999 O HOH A 203 -12.592 0.039 34.336 1.00 9.32 O HETATM 2000 O HOH A 204 -14.807 -5.185 22.672 1.00 10.42 O HETATM 2001 O HOH A 205 -6.533 0.593 23.978 1.00 11.72 O HETATM 2002 O HOH A 206 5.501 -7.446 -1.342 1.00 11.72 O HETATM 2003 O HOH A 207 0.291 -0.069 29.153 1.00 13.65 O HETATM 2004 O HOH A 208 -15.209 -8.820 26.052 1.00 13.82 O HETATM 2005 O HOH A 209 -9.744 -10.031 11.512 1.00 14.01 O HETATM 2006 O HOH A 210 -9.288 5.934 24.661 1.00 14.10 O HETATM 2007 O HOH A 211 -14.838 -9.100 20.935 1.00 14.47 O HETATM 2008 O HOH A 212 -17.652 -4.533 30.119 1.00 14.75 O HETATM 2009 O HOH A 213 -17.695 -3.804 32.633 1.00 14.80 O HETATM 2010 O HOH A 214 -6.298 -13.998 16.957 1.00 14.85 O HETATM 2011 O HOH A 215 -3.386 -18.623 22.608 1.00 15.44 O HETATM 2012 O HOH A 216 -17.820 -7.583 27.163 1.00 15.48 O HETATM 2013 O HOH A 217 3.662 -3.255 27.182 1.00 15.68 O HETATM 2014 O HOH A 218 -5.581 -15.422 14.552 1.00 15.83 O HETATM 2015 O HOH A 219 -18.373 8.424 30.531 1.00 15.86 O HETATM 2016 O HOH A 220 -2.632 -12.827 31.635 1.00 16.21 O HETATM 2017 O HOH A 221 -0.443 -9.156 31.188 1.00 17.24 O HETATM 2018 O HOH A 222 -12.775 -12.000 14.320 1.00 17.32 O HETATM 2019 O HOH A 223 -7.224 -1.993 33.924 1.00 17.34 O HETATM 2020 O HOH A 224 7.727 -12.921 16.455 1.00 18.26 O HETATM 2021 O HOH A 225 5.793 -2.945 31.676 1.00 18.30 O HETATM 2022 O HOH A 226 -4.007 -0.728 24.330 1.00 18.51 O HETATM 2023 O HOH A 227 8.692 -2.617 19.125 1.00 18.72 O HETATM 2024 O HOH A 228 -5.298 2.202 17.827 1.00 19.11 O HETATM 2025 O HOH A 229 3.883 -14.108 18.760 1.00 19.64 O HETATM 2026 O HOH A 230 -6.682 -17.697 34.880 1.00 19.75 O HETATM 2027 O HOH A 231 -8.308 3.632 14.165 1.00 19.79 O HETATM 2028 O HOH A 232 -16.153 7.670 34.627 1.00 20.02 O HETATM 2029 O HOH A 233 -8.947 -19.484 26.098 1.00 20.54 O HETATM 2030 O HOH A 234 6.007 -16.599 9.861 1.00 20.79 O HETATM 2031 O HOH A 235 1.020 -19.059 10.906 1.00 21.30 O HETATM 2032 O HOH A 236 5.400 -6.292 31.769 1.00 21.53 O HETATM 2033 O HOH A 237 -17.369 5.578 33.123 1.00 22.19 O HETATM 2034 O HOH A 238 -5.769 2.201 21.824 1.00 22.38 O HETATM 2035 O HOH A 239 -1.140 2.245 1.190 1.00 22.47 O HETATM 2036 O HOH A 240 5.029 -2.589 17.545 1.00 22.68 O HETATM 2037 O HOH A 241 -11.721 -14.904 16.489 1.00 22.76 O HETATM 2038 O HOH A 242 -11.958 -15.654 31.781 1.00 22.82 O HETATM 2039 O HOH A 243 5.796 -6.002 36.614 1.00 23.40 O HETATM 2040 O HOH A 244 -6.058 -18.524 2.934 1.00 23.77 O HETATM 2041 O HOH A 245 5.670 -3.330 36.779 1.00 24.06 O HETATM 2042 O HOH A 246 -17.668 7.619 23.496 1.00 24.99 O HETATM 2043 O HOH A 247 2.008 -7.246 31.766 1.00 25.13 O HETATM 2044 O HOH A 248 -2.856 2.074 23.985 1.00 25.14 O HETATM 2045 O HOH A 249 3.062 1.681 13.815 1.00 25.25 O HETATM 2046 O HOH A 250 9.948 -4.723 -2.584 1.00 25.48 O HETATM 2047 O HOH A 251 -7.422 -14.051 37.294 1.00 25.49 O HETATM 2048 O HOH A 252 -11.069 -8.232 38.021 1.00 25.73 O HETATM 2049 O HOH A 253 8.546 -4.221 4.701 1.00 25.77 O HETATM 2050 O HOH A 254 -2.081 -20.454 8.785 1.00 25.77 O HETATM 2051 O HOH A 255 -16.394 -2.995 35.136 1.00 25.78 O HETATM 2052 O HOH A 256 -8.553 -1.216 36.442 1.00 25.88 O HETATM 2053 O HOH A 257 -0.794 2.252 21.146 1.00 26.16 O HETATM 2054 O HOH A 258 -13.960 -8.489 37.459 1.00 26.80 O HETATM 2055 O HOH A 259 0.253 -14.912 -7.635 1.00 26.90 O HETATM 2056 O HOH A 260 6.903 -7.355 18.129 1.00 27.21 O HETATM 2057 O HOH A 261 -1.648 -10.706 32.866 1.00 27.64 O HETATM 2058 O HOH A 262 -3.807 2.686 0.858 1.00 27.69 O HETATM 2059 O HOH A 263 -14.931 1.202 34.091 1.00 28.03 O HETATM 2060 O HOH A 264 -6.130 4.557 26.885 1.00 28.06 O HETATM 2061 O HOH A 265 7.883 -11.152 13.979 1.00 28.43 O HETATM 2062 O HOH A 266 -2.261 -16.811 32.922 1.00 28.85 O HETATM 2063 O HOH A 267 8.980 -8.958 -8.675 1.00 29.00 O HETATM 2064 O HOH A 268 -19.914 9.309 23.305 1.00 29.12 O HETATM 2065 O HOH A 269 4.861 -15.445 7.777 1.00 29.24 O HETATM 2066 O HOH A 270 7.170 -12.045 -5.165 1.00 29.50 O HETATM 2067 O HOH A 271 -4.672 -0.206 34.794 1.00 29.56 O HETATM 2068 O HOH A 272 -6.311 -17.909 15.336 1.00 29.63 O HETATM 2069 O HOH A 273 -22.251 6.469 20.060 1.00 29.94 O HETATM 2070 O HOH A 274 -13.827 -15.572 14.945 1.00 29.98 O HETATM 2071 O HOH A 275 -14.863 -13.500 34.139 1.00 29.98 O HETATM 2072 O HOH A 276 -6.487 4.981 17.972 1.00 30.47 O HETATM 2073 O HOH A 277 5.133 -7.117 34.304 1.00 30.77 O HETATM 2074 O HOH A 278 -4.081 4.476 24.926 1.00 31.20 O HETATM 2075 O HOH A 279 -0.780 2.167 -3.875 1.00 31.51 O HETATM 2076 O HOH A 280 -2.742 -17.148 16.103 1.00 32.37 O HETATM 2077 O HOH A 281 -17.630 -4.187 15.370 1.00 33.09 O HETATM 2078 O HOH A 282 4.301 -10.331 -1.499 1.00 33.46 O HETATM 2079 O HOH A 283 -7.708 4.888 22.882 1.00 33.54 O HETATM 2080 O HOH A 284 5.259 4.240 18.839 1.00 33.62 O HETATM 2081 O HOH A 285 8.658 -1.996 16.478 1.00 33.89 O HETATM 2082 O HOH A 286 -1.841 -19.241 31.241 1.00 34.04 O HETATM 2083 O HOH A 287 5.998 -15.076 16.910 1.00 34.08 O HETATM 2084 O HOH A 288 -3.116 2.935 10.956 1.00 34.24 O HETATM 2085 O HOH A 289 -5.383 -19.646 8.741 1.00 34.79 O HETATM 2086 O HOH A 290 4.701 4.714 22.424 1.00 35.92 O HETATM 2087 O HOH A 291 -12.997 -12.133 4.976 1.00 36.10 O HETATM 2088 O HOH A 292 -8.528 -19.548 34.512 1.00 36.43 O HETATM 2089 O HOH A 293 -14.522 -16.472 21.682 1.00 36.63 O HETATM 2090 O HOH A 294 5.547 -26.250 0.392 1.00 36.73 O HETATM 2091 O HOH A 295 -11.082 6.007 38.620 1.00 37.66 O HETATM 2092 O HOH A 296 11.730 -6.234 3.680 1.00 37.98 O HETATM 2093 O HOH A 297 6.327 -2.863 3.942 1.00 39.01 O HETATM 2094 O HOH A 298 3.821 -2.843 33.901 1.00 39.22 O HETATM 2095 O HOH A 299 -6.905 -12.043 40.300 1.00 40.18 O HETATM 2096 O HOH A 300 7.222 -16.455 18.790 1.00 40.92 O HETATM 2097 O HOH A 301 -5.860 -16.240 -2.572 1.00 42.59 O HETATM 2098 O HOH A 302 1.208 4.296 23.162 1.00 43.95 O HETATM 2099 O HOH A 303 10.779 -1.341 14.714 1.00 44.56 O HETATM 2100 O HOH A 304 -10.096 -16.856 21.329 1.00 47.20 O HETATM 2101 O HOH A 305 -13.209 -11.180 10.549 1.00 47.68 O HETATM 2102 O HOH A 306 -14.884 -17.304 5.750 1.00 50.61 O TER 2104 HOH A 306 HETATM 2104 O HOH B 132 10.595 -14.510 20.220 1.00 12.25 O HETATM 2105 O HOH B 133 -0.079 -21.846 11.664 1.00 15.50 O HETATM 2106 O HOH B 134 27.167 -20.617 23.766 1.00 17.78 O HETATM 2107 O HOH B 135 5.636 -18.596 11.820 1.00 18.46 O HETATM 2108 O HOH B 136 10.679 -27.907 27.690 1.00 18.58 O HETATM 2109 O HOH B 137 -1.988 -18.831 20.029 1.00 19.08 O HETATM 2110 O HOH B 138 7.816 -39.464 18.288 1.00 19.90 O HETATM 2111 O HOH B 139 4.156 -17.841 19.175 1.00 20.71 O HETATM 2112 O HOH B 140 22.572 -17.136 22.843 1.00 21.46 O HETATM 2113 O HOH B 141 16.176 -14.269 16.983 1.00 21.47 O HETATM 2114 O HOH B 142 21.486 -15.155 25.372 1.00 22.23 O HETATM 2115 O HOH B 143 2.616 -17.671 21.324 1.00 22.62 O HETATM 2116 O HOH B 144 13.418 -25.253 27.573 1.00 23.43 O HETATM 2117 O HOH B 145 10.345 -13.265 7.338 1.00 23.46 O HETATM 2118 O HOH B 146 7.455 -15.714 6.032 1.00 24.11 O HETATM 2119 O HOH B 147 29.971 -15.666 28.541 1.00 24.56 O HETATM 2120 O HOH B 148 -3.886 -35.019 24.334 1.00 24.81 O HETATM 2121 O HOH B 149 13.520 -39.791 23.851 1.00 24.85 O HETATM 2122 O HOH B 150 9.667 -26.919 10.834 1.00 25.09 O HETATM 2123 O HOH B 151 17.417 -39.245 22.722 1.00 25.85 O HETATM 2124 O HOH B 152 25.968 -21.846 31.069 1.00 27.30 O HETATM 2125 O HOH B 153 14.433 -34.391 16.625 1.00 27.31 O HETATM 2126 O HOH B 154 27.916 -13.528 18.807 1.00 27.46 O HETATM 2127 O HOH B 155 15.811 -24.059 25.812 1.00 28.81 O HETATM 2128 O HOH B 156 15.682 -37.030 25.889 1.00 29.19 O HETATM 2129 O HOH B 157 21.941 -14.291 7.340 1.00 30.07 O HETATM 2130 O HOH B 158 -2.621 -20.296 17.667 1.00 30.35 O HETATM 2131 O HOH B 159 19.709 -26.197 30.707 1.00 30.38 O HETATM 2132 O HOH B 160 23.107 -29.192 34.986 1.00 30.47 O HETATM 2133 O HOH B 161 0.628 -40.203 10.777 1.00 30.48 O HETATM 2134 O HOH B 162 6.553 -25.440 8.954 1.00 31.35 O HETATM 2135 O HOH B 163 -11.160 -27.983 15.423 1.00 32.67 O HETATM 2136 O HOH B 164 -16.455 -30.299 16.805 1.00 32.67 O HETATM 2137 O HOH B 165 10.862 -20.450 6.889 1.00 33.09 O HETATM 2138 O HOH B 166 -3.610 -37.236 19.252 1.00 33.43 O HETATM 2139 O HOH B 167 28.111 -12.222 28.630 1.00 33.51 O HETATM 2140 O HOH B 168 22.619 -35.342 30.903 1.00 33.59 O HETATM 2141 O HOH B 169 -4.193 -26.396 30.289 1.00 33.59 O HETATM 2142 O HOH B 170 18.785 -22.704 29.708 1.00 34.23 O HETATM 2143 O HOH B 171 13.252 -22.298 27.830 1.00 34.24 O HETATM 2144 O HOH B 172 30.137 -28.824 35.254 1.00 34.50 O HETATM 2145 O HOH B 173 1.560 -38.112 22.730 1.00 34.72 O HETATM 2146 O HOH B 174 25.534 -19.308 31.372 1.00 34.95 O HETATM 2147 O HOH B 175 9.703 -16.220 14.142 1.00 35.49 O HETATM 2148 O HOH B 176 -2.066 -36.815 23.138 1.00 35.79 O HETATM 2149 O HOH B 177 10.330 -32.891 28.524 1.00 36.11 O HETATM 2150 O HOH B 178 12.986 -24.004 8.350 1.00 36.21 O HETATM 2151 O HOH B 179 -2.620 -48.284 10.225 1.00 36.25 O HETATM 2152 O HOH B 180 13.054 -31.805 33.371 1.00 37.55 O HETATM 2153 O HOH B 181 -4.551 -23.055 6.673 1.00 38.96 O HETATM 2154 O HOH B 182 13.840 -21.905 24.946 1.00 39.75 O HETATM 2155 O HOH B 183 29.237 -22.709 24.302 1.00 40.15 O HETATM 2156 O HOH B 184 9.948 -21.319 27.269 1.00 40.33 O HETATM 2157 O HOH B 185 2.270 -42.155 7.157 1.00 40.86 O HETATM 2158 O HOH B 186 19.168 -18.171 28.959 1.00 42.02 O HETATM 2159 O HOH B 187 23.667 -21.311 8.847 1.00 42.22 O HETATM 2160 O HOH B 188 16.849 -29.899 11.278 1.00 45.18 O HETATM 2161 O HOH B 189 11.943 -26.510 7.124 1.00 48.14 O HETATM 2162 O HOH B 190 -3.253 -44.610 13.661 1.00 50.73 O HETATM 2163 O HOH B 191 -2.903 -40.033 21.564 1.00 52.07 O TER 2164 HOH B 191 ENDMDL MASTER END