HEADER HYDROLASE 29-OCT-98 1RNF TITLE X-RAY CRYSTAL STRUCTURE OF UNLIGANDED HUMAN RIBONUCLEASE 4 COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (RIBONUCLEASE 4); COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: RNASE 4; COMPND 5 EC: 3.1.27.-; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS HYDROLASE, RIBONUCLEASE, PHOSPHODIESTERASE EXPDTA X-RAY DIFFRACTION AUTHOR S.S.TERZYAN,R.PERACAULA,R.DE LLORENS,Y.TSUSHIMA,H.YAMADA, AUTHOR 2 M.SENO,F.X.GOMIS-RUETH,M.COLL REVDAT 3 24-FEB-09 1RNF 1 VERSN REVDAT 2 01-APR-03 1RNF 1 JRNL REVDAT 1 29-OCT-99 1RNF 0 JRNL AUTH S.S.TERZYAN,R.PERACAULA,R.DE LLORENS,Y.TSUSHIMA, JRNL AUTH 2 H.YAMADA,M.SENO,F.X.GOMIS-RUTH,M.COLL JRNL TITL THE THREE-DIMENSIONAL STRUCTURE OF HUMAN RNASE 4, JRNL TITL 2 UNLIGANDED AND COMPLEXED WITH D(UP), REVEALS THE JRNL TITL 3 BASIS FOR ITS URIDINE SELECTIVITY. JRNL REF J.MOL.BIOL. V. 285 205 1999 JRNL REFN ISSN 0022-2836 JRNL PMID 9878400 JRNL DOI 10.1006/JMBI.1998.2288 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.10 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.10 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 81.9 REMARK 3 NUMBER OF REFLECTIONS : 11488 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING SET) : 0.174 REMARK 3 FREE R VALUE : 0.236 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 6.000 REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1940 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 117 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.012 REMARK 3 BOND ANGLES (DEGREES) : 1.60 REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL 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 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 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1RNF COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-JUL-99. REMARK 100 THE RCSB ID CODE IS RCSB007328. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : 298 REMARK 200 PH : 6.9 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU200 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : GRAPHITE CRYSTAL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 57662 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.100 REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.7 REMARK 200 DATA REDUNDANCY : 4.300 REMARK 200 R MERGE (I) : 0.09900 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 8.2000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.10 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.18 REMARK 200 COMPLETENESS FOR SHELL (%) : 94.8 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.560 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: AMORE REMARK 200 STARTING MODEL: PDB ENTRY 2RAT REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 43.10 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.20 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 30% PEG4000, 0.1 M SODIUM REMARK 280 CADODYLATE, PH 6.3, PH 6.9 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 47.13500 REMARK 290 SMTRY3 2 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 475 REMARK 475 ZERO OCCUPANCY RESIDUES REMARK 475 THE FOLLOWING RESIDUES WERE MODELED WITH ZERO OCCUPANCY. REMARK 475 THE LOCATION AND PROPERTIES OF THESE RESIDUES MAY NOT REMARK 475 BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 475 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE) REMARK 475 M RES C SSEQI REMARK 475 MET B 0 REMARK 475 GLN B 1 REMARK 475 ASP B 2 REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 MET A 0 CG SD CE REMARK 480 ARG A 31 NE CZ NH1 NH2 REMARK 480 ARG A 41 CD NE CZ NH1 NH2 REMARK 480 PHE A 42 CG CD1 CE1 REMARK 480 LYS A 68 CE NZ REMARK 480 LYS A 77 NZ REMARK 480 ARG A 82 CG CD NE REMARK 480 SER A 86 CB REMARK 480 ARG A 93 CZ NH1 NH2 REMARK 480 ARG A 95 NH1 NH2 REMARK 480 GLY B 3 N REMARK 480 MET B 4 CG SD CE REMARK 480 TYR B 5 OH REMARK 480 ARG B 7 NE CZ NH1 NH2 REMARK 480 ARG B 10 CG CD NE REMARK 480 GLU B 16 CB CG CD OE1 OE2 REMARK 480 THR B 18 N CB OG1 CG2 REMARK 480 ARG B 23 NH1 REMARK 480 HIS B 38 ND1 CD2 CE1 NE2 REMARK 480 ARG B 41 CG CD REMARK 480 ARG B 54 NH1 NH2 REMARK 480 SER B 55 OG REMARK 480 THR B 60 CB OG1 CG2 REMARK 480 GLN B 63 CG REMARK 480 LYS B 65 C O CD CE NZ REMARK 480 ASN B 66 N CB CG OD1 ND2 REMARK 480 LYS B 68 NZ REMARK 480 MET B 69 CG CE REMARK 480 ARG B 82 CD NE CZ NH1 NH2 REMARK 480 ARG B 95 CD CZ NH1 NH2 REMARK 480 ILE B 97 CG1 CD1 REMARK 480 GLU B 108 CB CG CD OE1 OE2 REMARK 480 ASN B 110 OD1 ND2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 THR A 100 N - CA - C ANGL. DEV. = -16.7 DEGREES REMARK 500 ARG B 54 CG - CD - NE ANGL. DEV. = -15.4 DEGREES REMARK 500 ARG B 54 NH1 - CZ - NH2 ANGL. DEV. = -6.8 DEGREES REMARK 500 ARG B 54 NE - CZ - NH1 ANGL. DEV. = 8.0 DEGREES REMARK 500 ARG B 54 NE - CZ - NH2 ANGL. DEV. = -6.3 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 HIS A 14 81.49 -154.42 REMARK 500 HIS A 47 70.03 -103.36 REMARK 500 ASN A 91 56.19 -99.59 REMARK 500 HIS B 14 89.26 -152.98 REMARK 500 THR B 35 18.52 -143.44 REMARK 500 ASN B 70 32.65 -84.01 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG B 54 0.14 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1RNF A 0 119 UNP P34096 RNAS4_HUMAN 28 147 DBREF 1RNF B 0 119 UNP P34096 RNAS4_HUMAN 28 147 SEQADV 1RNF MET A 0 UNP P34096 GLY 28 CLONING ARTIFACT SEQADV 1RNF MET B 0 UNP P34096 GLY 28 CLONING ARTIFACT SEQRES 1 A 120 MET GLN ASP GLY MET TYR GLN ARG PHE LEU ARG GLN HIS SEQRES 2 A 120 VAL HIS PRO GLU GLU THR GLY GLY SER ASP ARG TYR CYS SEQRES 3 A 120 ASN LEU MET MET GLN ARG ARG LYS MET THR LEU TYR HIS SEQRES 4 A 120 CYS LYS ARG PHE ASN THR PHE ILE HIS GLU ASP ILE TRP SEQRES 5 A 120 ASN ILE ARG SER ILE CYS SER THR THR ASN ILE GLN CYS SEQRES 6 A 120 LYS ASN GLY LYS MET ASN CYS HIS GLU GLY VAL VAL LYS SEQRES 7 A 120 VAL THR ASP CYS ARG ASP THR GLY SER SER ARG ALA PRO SEQRES 8 A 120 ASN CYS ARG TYR ARG ALA ILE ALA SER THR ARG ARG VAL SEQRES 9 A 120 VAL ILE ALA CYS GLU GLY ASN PRO GLN VAL PRO VAL HIS SEQRES 10 A 120 PHE ASP GLY SEQRES 1 B 120 MET GLN ASP GLY MET TYR GLN ARG PHE LEU ARG GLN HIS SEQRES 2 B 120 VAL HIS PRO GLU GLU THR GLY GLY SER ASP ARG TYR CYS SEQRES 3 B 120 ASN LEU MET MET GLN ARG ARG LYS MET THR LEU TYR HIS SEQRES 4 B 120 CYS LYS ARG PHE ASN THR PHE ILE HIS GLU ASP ILE TRP SEQRES 5 B 120 ASN ILE ARG SER ILE CYS SER THR THR ASN ILE GLN CYS SEQRES 6 B 120 LYS ASN GLY LYS MET ASN CYS HIS GLU GLY VAL VAL LYS SEQRES 7 B 120 VAL THR ASP CYS ARG ASP THR GLY SER SER ARG ALA PRO SEQRES 8 B 120 ASN CYS ARG TYR ARG ALA ILE ALA SER THR ARG ARG VAL SEQRES 9 B 120 VAL ILE ALA CYS GLU GLY ASN PRO GLN VAL PRO VAL HIS SEQRES 10 B 120 PHE ASP GLY FORMUL 3 HOH *117(H2 O) HELIX 1 1 GLN A 1 HIS A 12 1 12 HELIX 2 2 ASP A 22 ARG A 31 1 10 HELIX 3 3 ILE A 50 SER A 58 1 9 HELIX 4 4 GLN B 1 HIS B 12 1 12 HELIX 5 5 ASP B 22 ARG B 31 1 10 HELIX 6 6 ILE B 50 SER B 58 1 9 SHEET 1 A 4 PHE A 42 ILE A 46 0 SHEET 2 A 4 CYS A 71 ASP A 83 -1 N CYS A 81 O ASN A 43 SHEET 3 A 4 TYR A 94 ALA A 106 -1 N ILE A 105 O HIS A 72 SHEET 4 A 4 HIS A 116 GLY A 119 -1 N GLY A 119 O VAL A 104 SHEET 1 B 4 PHE B 42 ILE B 46 0 SHEET 2 B 4 CYS B 71 ASP B 83 -1 N CYS B 81 O ASN B 43 SHEET 3 B 4 TYR B 94 GLU B 108 -1 N ILE B 105 O HIS B 72 SHEET 4 B 4 VAL B 113 PHE B 117 -1 N HIS B 116 O ALA B 106 SSBOND 1 CYS A 25 CYS A 81 1555 1555 2.04 SSBOND 2 CYS A 39 CYS A 92 1555 1555 2.02 SSBOND 3 CYS A 57 CYS A 107 1555 1555 2.02 SSBOND 4 CYS A 64 CYS A 71 1555 1555 2.04 SSBOND 5 CYS B 25 CYS B 81 1555 1555 2.03 SSBOND 6 CYS B 39 CYS B 92 1555 1555 2.02 SSBOND 7 CYS B 57 CYS B 107 1555 1555 2.03 SSBOND 8 CYS B 64 CYS B 71 1555 1555 2.03 CISPEP 1 ALA A 89 PRO A 90 0 0.41 CISPEP 2 ASN A 110 PRO A 111 0 -0.09 CISPEP 3 ALA B 89 PRO B 90 0 0.75 CISPEP 4 ASN B 110 PRO B 111 0 -0.74 CRYST1 32.910 94.270 40.750 90.00 106.97 90.00 P 1 21 1 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.030386 0.000000 0.009273 0.00000 SCALE2 0.000000 0.010608 0.000000 0.00000 SCALE3 0.000000 0.000000 0.025657 0.00000 MTRIX1 1 -0.518000 0.643000 0.564000 4.73100 1 MTRIX2 1 0.745000 0.663000 -0.072000 9.28400 1 MTRIX3 1 0.420000 0.383000 -0.822000 16.58600 1 ATOM 1 N MET A 0 23.622 -0.656 -3.274 1.00 36.11 N ATOM 2 CA MET A 0 23.642 -0.403 -1.805 1.00 32.98 C ATOM 3 C MET A 0 22.261 -0.624 -1.236 1.00 30.59 C ATOM 4 O MET A 0 22.111 -0.753 -0.027 1.00 29.99 O ATOM 5 CB MET A 0 24.087 1.028 -1.511 1.00 34.71 C ATOM 6 CG MET A 0 23.303 2.080 -2.284 0.00 35.20 C ATOM 7 SD MET A 0 24.108 2.574 -3.820 0.00 35.49 S ATOM 8 CE MET A 0 22.740 3.346 -4.688 0.00 36.08 C ATOM 9 N GLN A 1 21.263 -0.668 -2.115 1.00 28.53 N ATOM 10 CA GLN A 1 19.875 -0.878 -1.706 1.00 31.44 C ATOM 11 C GLN A 1 19.619 -2.255 -1.115 1.00 28.52 C ATOM 12 O GLN A 1 18.581 -2.479 -0.505 1.00 30.60 O ATOM 13 CB GLN A 1 18.916 -0.674 -2.883 1.00 32.45 C ATOM 14 CG GLN A 1 18.884 0.742 -3.421 1.00 41.46 C ATOM 15 CD GLN A 1 19.841 0.946 -4.589 1.00 46.49 C ATOM 16 OE1 GLN A 1 20.670 -0.053 -4.856 1.00 50.92 O ATOM 17 NE2 GLN A 1 19.833 1.991 -5.243 1.00 51.89 N ATOM 18 N ASP A 2 20.542 -3.186 -1.304 1.00 26.09 N ATOM 19 CA ASP A 2 20.344 -4.526 -0.759 1.00 26.85 C ATOM 20 C ASP A 2 20.888 -4.564 0.644 1.00 26.22 C ATOM 21 O ASP A 2 20.375 -5.293 1.487 1.00 25.32 O ATOM 22 CB ASP A 2 21.025 -5.583 -1.616 1.00 27.71 C ATOM 23 CG ASP A 2 20.200 -5.947 -2.825 1.00 35.64 C ATOM 24 OD1 ASP A 2 18.979 -6.189 -2.641 1.00 38.85 O ATOM 25 OD2 ASP A 2 20.766 -5.973 -3.948 1.00 38.30 O ATOM 26 N GLY A 3 21.930 -3.776 0.895 1.00 24.88 N ATOM 27 CA GLY A 3 22.485 -3.717 2.231 1.00 21.90 C ATOM 28 C GLY A 3 21.514 -2.917 3.090 1.00 21.45 C ATOM 29 O GLY A 3 21.315 -3.212 4.268 1.00 20.61 O ATOM 30 N MET A 4 20.899 -1.906 2.478 1.00 19.31 N ATOM 31 CA MET A 4 19.928 -1.032 3.136 1.00 16.61 C ATOM 32 C MET A 4 18.614 -1.759 3.393 1.00 13.55 C ATOM 33 O MET A 4 17.962 -1.543 4.410 1.00 10.14 O ATOM 34 CB MET A 4 19.652 0.180 2.254 1.00 21.33 C ATOM 35 CG MET A 4 20.799 1.193 2.189 1.00 26.52 C ATOM 36 SD MET A 4 20.355 2.583 1.097 1.00 38.10 S ATOM 37 CE MET A 4 19.327 3.587 2.255 1.00 33.51 C ATOM 38 N TYR A 5 18.216 -2.597 2.445 1.00 9.80 N ATOM 39 CA TYR A 5 16.994 -3.375 2.580 1.00 11.19 C ATOM 40 C TYR A 5 17.144 -4.399 3.713 1.00 11.39 C ATOM 41 O TYR A 5 16.207 -4.639 4.473 1.00 10.39 O ATOM 42 CB TYR A 5 16.707 -4.101 1.280 1.00 8.89 C ATOM 43 CG TYR A 5 15.448 -4.910 1.298 1.00 12.15 C ATOM 44 CD1 TYR A 5 14.326 -4.471 1.986 1.00 12.50 C ATOM 45 CD2 TYR A 5 15.379 -6.134 0.628 1.00 12.02 C ATOM 46 CE1 TYR A 5 13.145 -5.238 2.012 1.00 15.93 C ATOM 47 CE2 TYR A 5 14.220 -6.910 0.639 1.00 14.35 C ATOM 48 CZ TYR A 5 13.103 -6.466 1.332 1.00 15.92 C ATOM 49 OH TYR A 5 11.963 -7.247 1.357 1.00 12.68 O ATOM 50 N GLN A 6 18.329 -4.994 3.825 1.00 11.49 N ATOM 51 CA GLN A 6 18.582 -5.978 4.861 1.00 13.86 C ATOM 52 C GLN A 6 18.601 -5.335 6.242 1.00 14.08 C ATOM 53 O GLN A 6 18.075 -5.902 7.182 1.00 16.21 O ATOM 54 CB GLN A 6 19.890 -6.734 4.587 1.00 14.78 C ATOM 55 CG GLN A 6 19.871 -7.640 3.330 1.00 17.80 C ATOM 56 CD GLN A 6 18.620 -8.536 3.217 1.00 22.56 C ATOM 57 OE1 GLN A 6 18.372 -9.399 4.069 1.00 22.54 O ATOM 58 NE2 GLN A 6 17.832 -8.325 2.160 1.00 24.40 N ATOM 59 N ARG A 7 19.199 -4.156 6.368 1.00 16.64 N ATOM 60 CA ARG A 7 19.228 -3.439 7.647 1.00 16.94 C ATOM 61 C ARG A 7 17.805 -2.997 8.062 1.00 16.80 C ATOM 62 O ARG A 7 17.481 -2.922 9.256 1.00 15.06 O ATOM 63 CB ARG A 7 20.133 -2.215 7.522 1.00 19.53 C ATOM 64 CG ARG A 7 19.997 -1.232 8.653 1.00 25.12 C ATOM 65 CD ARG A 7 21.274 -0.415 8.784 1.00 36.56 C ATOM 66 NE ARG A 7 21.087 0.773 9.615 1.00 42.12 N ATOM 67 CZ ARG A 7 21.924 1.168 10.572 1.00 44.56 C ATOM 68 NH1 ARG A 7 23.033 0.475 10.838 1.00 46.67 N ATOM 69 NH2 ARG A 7 21.641 2.255 11.279 1.00 46.36 N ATOM 70 N PHE A 8 16.971 -2.699 7.060 1.00 13.93 N ATOM 71 CA PHE A 8 15.582 -2.290 7.278 1.00 14.70 C ATOM 72 C PHE A 8 14.794 -3.461 7.884 1.00 13.05 C ATOM 73 O PHE A 8 14.023 -3.290 8.826 1.00 11.23 O ATOM 74 CB PHE A 8 14.937 -1.842 5.948 1.00 11.37 C ATOM 75 CG PHE A 8 13.464 -1.463 6.063 1.00 11.73 C ATOM 76 CD1 PHE A 8 13.079 -0.167 6.396 1.00 9.97 C ATOM 77 CD2 PHE A 8 12.466 -2.404 5.814 1.00 8.73 C ATOM 78 CE1 PHE A 8 11.728 0.183 6.475 1.00 7.47 C ATOM 79 CE2 PHE A 8 11.120 -2.055 5.896 1.00 11.46 C ATOM 80 CZ PHE A 8 10.753 -0.750 6.229 1.00 8.10 C ATOM 81 N LEU A 9 15.010 -4.661 7.355 1.00 13.88 N ATOM 82 CA LEU A 9 14.295 -5.838 7.840 1.00 10.61 C ATOM 83 C LEU A 9 14.719 -6.112 9.263 1.00 9.17 C ATOM 84 O LEU A 9 13.889 -6.307 10.135 1.00 12.87 O ATOM 85 CB LEU A 9 14.612 -7.051 6.946 1.00 10.24 C ATOM 86 CG LEU A 9 14.097 -6.952 5.504 1.00 12.73 C ATOM 87 CD1 LEU A 9 14.639 -8.112 4.650 1.00 14.20 C ATOM 88 CD2 LEU A 9 12.569 -6.969 5.514 1.00 15.61 C ATOM 89 N ARG A 10 16.022 -6.129 9.502 1.00 9.04 N ATOM 90 CA ARG A 10 16.523 -6.399 10.837 1.00 7.88 C ATOM 91 C ARG A 10 16.012 -5.394 11.860 1.00 8.25 C ATOM 92 O ARG A 10 15.673 -5.754 12.978 1.00 8.40 O ATOM 93 CB ARG A 10 18.068 -6.418 10.859 1.00 7.98 C ATOM 94 CG ARG A 10 18.641 -6.393 12.276 1.00 13.24 C ATOM 95 CD ARG A 10 20.172 -6.481 12.341 1.00 17.48 C ATOM 96 NE ARG A 10 20.859 -5.356 11.686 1.00 27.44 N ATOM 97 CZ ARG A 10 20.954 -4.118 12.171 1.00 24.77 C ATOM 98 NH1 ARG A 10 20.400 -3.811 13.335 1.00 23.82 N ATOM 99 NH2 ARG A 10 21.630 -3.194 11.500 1.00 26.18 N ATOM 100 N GLN A 11 15.931 -4.129 11.482 1.00 10.48 N ATOM 101 CA GLN A 11 15.494 -3.103 12.430 1.00 8.51 C ATOM 102 C GLN A 11 13.992 -2.928 12.588 1.00 9.63 C ATOM 103 O GLN A 11 13.534 -2.676 13.696 1.00 11.31 O ATOM 104 CB GLN A 11 16.087 -1.728 12.052 1.00 11.90 C ATOM 105 CG GLN A 11 17.584 -1.557 12.308 1.00 17.79 C ATOM 106 CD GLN A 11 18.093 -0.148 12.000 1.00 17.37 C ATOM 107 OE1 GLN A 11 17.448 0.620 11.299 1.00 18.68 O ATOM 108 NE2 GLN A 11 19.251 0.182 12.530 1.00 18.79 N ATOM 109 N HIS A 12 13.223 -3.084 11.508 1.00 9.36 N ATOM 110 CA HIS A 12 11.780 -2.814 11.554 1.00 8.71 C ATOM 111 C HIS A 12 10.774 -3.906 11.221 1.00 10.22 C ATOM 112 O HIS A 12 9.584 -3.671 11.349 1.00 14.17 O ATOM 113 CB HIS A 12 11.454 -1.614 10.636 1.00 8.69 C ATOM 114 CG HIS A 12 12.460 -0.503 10.705 1.00 6.44 C ATOM 115 ND1 HIS A 12 13.445 -0.135 9.858 1.00 7.07 N ATOM 116 CD2 HIS A 12 12.564 0.331 11.800 1.00 5.75 C ATOM 117 CE1 HIS A 12 14.125 0.899 10.457 1.00 10.35 C ATOM 118 NE2 HIS A 12 13.573 1.162 11.630 1.00 2.00 N ATOM 119 N VAL A 13 11.211 -5.078 10.775 1.00 11.98 N ATOM 120 CA VAL A 13 10.234 -6.113 10.416 1.00 13.45 C ATOM 121 C VAL A 13 10.163 -7.375 11.312 1.00 11.15 C ATOM 122 O VAL A 13 11.169 -8.016 11.615 1.00 9.47 O ATOM 123 CB VAL A 13 10.423 -6.539 8.917 1.00 13.45 C ATOM 124 CG1 VAL A 13 9.220 -7.377 8.443 1.00 11.19 C ATOM 125 CG2 VAL A 13 10.567 -5.292 8.036 1.00 7.68 C ATOM 126 N HIS A 14 8.951 -7.700 11.748 1.00 12.37 N ATOM 127 CA HIS A 14 8.711 -8.874 12.577 1.00 12.35 C ATOM 128 C HIS A 14 7.259 -9.307 12.363 1.00 13.61 C ATOM 129 O HIS A 14 6.376 -8.994 13.161 1.00 14.89 O ATOM 130 CB HIS A 14 8.951 -8.553 14.051 1.00 12.51 C ATOM 131 CG HIS A 14 9.172 -9.767 14.888 1.00 15.92 C ATOM 132 ND1 HIS A 14 9.050 -9.770 16.259 1.00 16.48 N ATOM 133 CD2 HIS A 14 9.470 -11.037 14.533 1.00 15.47 C ATOM 134 CE1 HIS A 14 9.260 -10.988 16.711 1.00 16.24 C ATOM 135 NE2 HIS A 14 9.517 -11.778 15.686 1.00 17.76 N ATOM 136 N PRO A 15 6.997 -10.042 11.277 1.00 13.06 N ATOM 137 CA PRO A 15 5.637 -10.495 10.976 1.00 17.43 C ATOM 138 C PRO A 15 5.027 -11.524 11.920 1.00 22.32 C ATOM 139 O PRO A 15 3.835 -11.487 12.198 1.00 24.97 O ATOM 140 CB PRO A 15 5.750 -11.049 9.549 1.00 17.91 C ATOM 141 CG PRO A 15 7.164 -10.645 9.060 1.00 12.51 C ATOM 142 CD PRO A 15 7.975 -10.512 10.278 1.00 8.80 C ATOM 143 N GLU A 16 5.854 -12.433 12.412 1.00 28.25 N ATOM 144 CA GLU A 16 5.399 -13.520 13.287 1.00 36.19 C ATOM 145 C GLU A 16 4.762 -13.165 14.631 1.00 38.78 C ATOM 146 O GLU A 16 3.850 -13.874 15.085 1.00 39.48 O ATOM 147 CB GLU A 16 6.550 -14.510 13.538 1.00 35.29 C ATOM 148 CG GLU A 16 7.930 -13.890 13.711 1.00 35.93 C ATOM 149 CD GLU A 16 8.751 -13.913 12.435 1.00 38.02 C ATOM 150 OE1 GLU A 16 8.185 -14.230 11.367 1.00 35.25 O ATOM 151 OE2 GLU A 16 9.966 -13.609 12.507 1.00 40.78 O ATOM 152 N GLU A 17 5.223 -12.073 15.248 1.00 40.23 N ATOM 153 CA GLU A 17 4.725 -11.643 16.556 1.00 40.67 C ATOM 154 C GLU A 17 3.785 -10.433 16.462 1.00 38.06 C ATOM 155 O GLU A 17 3.649 -9.856 15.396 1.00 38.64 O ATOM 156 CB GLU A 17 5.922 -11.321 17.441 1.00 44.05 C ATOM 157 CG GLU A 17 6.014 -12.135 18.735 1.00 54.64 C ATOM 158 CD GLU A 17 5.770 -13.634 18.548 1.00 57.63 C ATOM 159 OE1 GLU A 17 4.592 -14.028 18.489 1.00 60.28 O ATOM 160 OE2 GLU A 17 6.748 -14.412 18.477 1.00 60.02 O ATOM 161 N THR A 18 3.120 -10.076 17.567 1.00 39.56 N ATOM 162 CA THR A 18 2.200 -8.917 17.632 1.00 37.23 C ATOM 163 C THR A 18 2.754 -7.869 18.621 1.00 34.44 C ATOM 164 O THR A 18 2.236 -6.752 18.719 1.00 36.93 O ATOM 165 CB THR A 18 0.758 -9.307 18.123 1.00 38.98 C ATOM 166 OG1 THR A 18 0.834 -10.353 19.108 1.00 43.11 O ATOM 167 CG2 THR A 18 -0.107 -9.754 16.953 1.00 38.82 C ATOM 168 N GLY A 19 3.801 -8.263 19.350 1.00 31.51 N ATOM 169 CA GLY A 19 4.463 -7.418 20.330 1.00 26.01 C ATOM 170 C GLY A 19 3.509 -6.676 21.244 1.00 22.64 C ATOM 171 O GLY A 19 2.615 -7.262 21.854 1.00 21.00 O ATOM 172 N GLY A 20 3.734 -5.372 21.367 1.00 21.37 N ATOM 173 CA GLY A 20 2.869 -4.529 22.176 1.00 18.55 C ATOM 174 C GLY A 20 3.136 -4.397 23.653 1.00 17.48 C ATOM 175 O GLY A 20 2.272 -3.917 24.383 1.00 20.19 O ATOM 176 N SER A 21 4.309 -4.805 24.106 1.00 12.97 N ATOM 177 CA SER A 21 4.602 -4.688 25.518 1.00 10.76 C ATOM 178 C SER A 21 6.035 -4.202 25.708 1.00 9.35 C ATOM 179 O SER A 21 6.845 -4.286 24.794 1.00 8.31 O ATOM 180 CB SER A 21 4.381 -6.045 26.215 1.00 8.97 C ATOM 181 OG SER A 21 5.419 -6.965 25.904 1.00 11.65 O ATOM 182 N ASP A 22 6.341 -3.684 26.894 1.00 11.11 N ATOM 183 CA ASP A 22 7.680 -3.196 27.192 1.00 12.29 C ATOM 184 C ASP A 22 8.685 -4.329 27.052 1.00 13.30 C ATOM 185 O ASP A 22 9.777 -4.151 26.535 1.00 15.70 O ATOM 186 CB ASP A 22 7.763 -2.648 28.629 1.00 12.66 C ATOM 187 CG ASP A 22 6.707 -1.590 28.942 1.00 13.26 C ATOM 188 OD1 ASP A 22 6.104 -0.997 28.018 1.00 7.74 O ATOM 189 OD2 ASP A 22 6.474 -1.361 30.148 1.00 14.15 O ATOM 190 N ARG A 23 8.313 -5.494 27.562 1.00 16.14 N ATOM 191 CA ARG A 23 9.170 -6.671 27.530 1.00 13.46 C ATOM 192 C ARG A 23 9.546 -7.074 26.102 1.00 11.61 C ATOM 193 O ARG A 23 10.670 -7.531 25.842 1.00 11.23 O ATOM 194 CB ARG A 23 8.445 -7.819 28.218 1.00 17.09 C ATOM 195 CG ARG A 23 9.061 -9.138 27.999 1.00 14.36 C ATOM 196 CD ARG A 23 10.022 -9.396 29.091 1.00 18.85 C ATOM 197 NE ARG A 23 10.586 -10.717 28.951 1.00 20.23 N ATOM 198 CZ ARG A 23 11.821 -11.017 29.307 1.00 24.11 C ATOM 199 NH1 ARG A 23 12.600 -10.072 29.821 1.00 28.15 N ATOM 200 NH2 ARG A 23 12.273 -12.254 29.150 1.00 26.67 N ATOM 201 N TYR A 24 8.597 -6.914 25.188 1.00 10.75 N ATOM 202 CA TYR A 24 8.808 -7.223 23.781 1.00 12.20 C ATOM 203 C TYR A 24 9.865 -6.262 23.195 1.00 13.60 C ATOM 204 O TYR A 24 10.716 -6.679 22.412 1.00 16.91 O ATOM 205 CB TYR A 24 7.480 -7.105 23.021 1.00 10.28 C ATOM 206 CG TYR A 24 7.656 -7.140 21.527 1.00 13.79 C ATOM 207 CD1 TYR A 24 7.742 -8.353 20.854 1.00 18.76 C ATOM 208 CD2 TYR A 24 7.801 -5.965 20.786 1.00 15.01 C ATOM 209 CE1 TYR A 24 7.971 -8.411 19.480 1.00 15.72 C ATOM 210 CE2 TYR A 24 8.030 -6.005 19.418 1.00 14.01 C ATOM 211 CZ TYR A 24 8.115 -7.237 18.764 1.00 16.82 C ATOM 212 OH TYR A 24 8.333 -7.313 17.396 1.00 16.23 O ATOM 213 N CYS A 25 9.828 -4.991 23.608 1.00 12.04 N ATOM 214 CA CYS A 25 10.771 -3.969 23.141 1.00 10.06 C ATOM 215 C CYS A 25 12.142 -4.277 23.691 1.00 9.78 C ATOM 216 O CYS A 25 13.125 -4.278 22.967 1.00 11.23 O ATOM 217 CB CYS A 25 10.328 -2.568 23.618 1.00 12.43 C ATOM 218 SG CYS A 25 8.946 -1.820 22.665 1.00 11.74 S ATOM 219 N ASN A 26 12.205 -4.557 24.980 1.00 7.90 N ATOM 220 CA ASN A 26 13.475 -4.860 25.630 1.00 10.13 C ATOM 221 C ASN A 26 14.214 -6.047 24.992 1.00 11.69 C ATOM 222 O ASN A 26 15.448 -6.080 24.920 1.00 11.32 O ATOM 223 CB ASN A 26 13.224 -5.177 27.105 1.00 13.87 C ATOM 224 CG ASN A 26 13.003 -3.946 27.940 1.00 18.39 C ATOM 225 OD1 ASN A 26 13.202 -2.835 27.479 1.00 17.34 O ATOM 226 ND2 ASN A 26 12.601 -4.140 29.187 1.00 18.05 N ATOM 227 N LEU A 27 13.433 -7.027 24.560 1.00 10.40 N ATOM 228 CA LEU A 27 13.948 -8.253 23.961 1.00 12.16 C ATOM 229 C LEU A 27 14.328 -8.061 22.509 1.00 9.14 C ATOM 230 O LEU A 27 15.440 -8.372 22.113 1.00 14.53 O ATOM 231 CB LEU A 27 12.883 -9.361 24.049 1.00 13.20 C ATOM 232 CG LEU A 27 13.095 -10.624 24.891 1.00 18.14 C ATOM 233 CD1 LEU A 27 13.998 -10.394 26.098 1.00 14.62 C ATOM 234 CD2 LEU A 27 11.738 -11.097 25.327 1.00 13.65 C ATOM 235 N MET A 28 13.391 -7.562 21.716 1.00 7.89 N ATOM 236 CA MET A 28 13.628 -7.345 20.301 1.00 8.98 C ATOM 237 C MET A 28 14.680 -6.297 19.993 1.00 10.14 C ATOM 238 O MET A 28 15.451 -6.452 19.047 1.00 12.21 O ATOM 239 CB MET A 28 12.320 -6.966 19.613 1.00 11.07 C ATOM 240 CG MET A 28 11.397 -8.140 19.392 1.00 18.78 C ATOM 241 SD MET A 28 12.230 -9.640 18.835 1.00 22.66 S ATOM 242 CE MET A 28 12.827 -9.101 17.301 1.00 22.56 C ATOM 243 N MET A 29 14.718 -5.214 20.762 1.00 9.55 N ATOM 244 CA MET A 29 15.710 -4.165 20.485 1.00 9.46 C ATOM 245 C MET A 29 17.086 -4.753 20.635 1.00 10.00 C ATOM 246 O MET A 29 18.023 -4.381 19.928 1.00 9.04 O ATOM 247 CB MET A 29 15.551 -2.981 21.443 1.00 7.69 C ATOM 248 CG MET A 29 14.334 -2.123 21.138 1.00 3.88 C ATOM 249 SD MET A 29 14.412 -1.378 19.520 1.00 13.14 S ATOM 250 CE MET A 29 15.695 -0.077 19.744 1.00 14.22 C ATOM 251 N GLN A 30 17.196 -5.697 21.557 1.00 12.92 N ATOM 252 CA GLN A 30 18.476 -6.353 21.840 1.00 18.50 C ATOM 253 C GLN A 30 18.842 -7.415 20.801 1.00 18.59 C ATOM 254 O GLN A 30 19.973 -7.451 20.291 1.00 19.12 O ATOM 255 CB GLN A 30 18.427 -7.005 23.227 1.00 19.83 C ATOM 256 CG GLN A 30 19.752 -7.563 23.654 1.00 26.83 C ATOM 257 CD GLN A 30 19.752 -7.970 25.104 1.00 37.26 C ATOM 258 OE1 GLN A 30 20.736 -7.754 25.818 1.00 41.59 O ATOM 259 NE2 GLN A 30 18.640 -8.563 25.559 1.00 40.63 N ATOM 260 N ARG A 31 17.865 -8.273 20.513 1.00 17.80 N ATOM 261 CA ARG A 31 17.997 -9.362 19.561 1.00 17.66 C ATOM 262 C ARG A 31 18.315 -8.829 18.159 1.00 18.08 C ATOM 263 O ARG A 31 19.061 -9.437 17.401 1.00 20.44 O ATOM 264 CB ARG A 31 16.690 -10.160 19.552 1.00 17.43 C ATOM 265 CG ARG A 31 16.721 -11.423 18.726 1.00 25.02 C ATOM 266 CD ARG A 31 15.425 -12.202 18.846 1.00 26.95 C ATOM 267 NE ARG A 31 15.424 -13.054 20.028 0.00 26.34 N ATOM 268 CZ ARG A 31 14.377 -13.225 20.828 0.00 26.47 C ATOM 269 NH1 ARG A 31 13.235 -12.601 20.574 0.00 26.53 N ATOM 270 NH2 ARG A 31 14.477 -14.014 21.888 0.00 26.20 N ATOM 271 N ARG A 32 17.744 -7.680 17.822 1.00 19.59 N ATOM 272 CA ARG A 32 17.951 -7.085 16.514 1.00 14.10 C ATOM 273 C ARG A 32 19.163 -6.184 16.444 1.00 13.14 C ATOM 274 O ARG A 32 19.350 -5.481 15.456 1.00 15.83 O ATOM 275 CB ARG A 32 16.700 -6.342 16.074 1.00 9.82 C ATOM 276 CG ARG A 32 15.505 -7.260 15.970 1.00 12.78 C ATOM 277 CD ARG A 32 15.848 -8.407 15.031 1.00 17.63 C ATOM 278 NE ARG A 32 14.698 -9.228 14.683 1.00 17.56 N ATOM 279 CZ ARG A 32 13.788 -8.924 13.767 1.00 17.97 C ATOM 280 NH1 ARG A 32 13.867 -7.800 13.079 1.00 17.76 N ATOM 281 NH2 ARG A 32 12.791 -9.758 13.528 1.00 16.12 N ATOM 282 N LYS A 33 19.979 -6.221 17.490 1.00 10.40 N ATOM 283 CA LYS A 33 21.228 -5.484 17.533 1.00 13.43 C ATOM 284 C LYS A 33 21.173 -3.979 17.586 1.00 12.41 C ATOM 285 O LYS A 33 22.068 -3.314 17.083 1.00 15.77 O ATOM 286 CB LYS A 33 22.089 -5.889 16.354 1.00 13.33 C ATOM 287 CG LYS A 33 23.025 -7.006 16.672 1.00 25.64 C ATOM 288 CD LYS A 33 22.417 -8.332 16.259 1.00 34.21 C ATOM 289 CE LYS A 33 23.481 -9.418 16.096 1.00 39.52 C ATOM 290 NZ LYS A 33 22.889 -10.779 16.286 1.00 43.26 N ATOM 291 N MET A 34 20.150 -3.427 18.206 1.00 14.81 N ATOM 292 CA MET A 34 20.073 -1.986 18.296 1.00 14.85 C ATOM 293 C MET A 34 20.491 -1.406 19.644 1.00 18.55 C ATOM 294 O MET A 34 20.298 -0.224 19.894 1.00 23.97 O ATOM 295 CB MET A 34 18.682 -1.540 17.925 1.00 11.17 C ATOM 296 CG MET A 34 18.453 -1.640 16.435 1.00 5.97 C ATOM 297 SD MET A 34 16.765 -1.361 16.018 1.00 17.95 S ATOM 298 CE MET A 34 15.944 -2.978 16.452 1.00 7.05 C ATOM 299 N THR A 35 21.080 -2.223 20.506 1.00 17.34 N ATOM 300 CA THR A 35 21.512 -1.740 21.807 1.00 18.36 C ATOM 301 C THR A 35 22.932 -2.196 21.992 1.00 17.99 C ATOM 302 O THR A 35 23.430 -2.290 23.099 1.00 18.67 O ATOM 303 CB THR A 35 20.636 -2.305 22.981 1.00 19.33 C ATOM 304 OG1 THR A 35 20.954 -3.683 23.202 1.00 20.32 O ATOM 305 CG2 THR A 35 19.149 -2.195 22.653 1.00 22.97 C ATOM 306 N LEU A 36 23.578 -2.494 20.881 1.00 19.96 N ATOM 307 CA LEU A 36 24.952 -2.958 20.895 1.00 25.22 C ATOM 308 C LEU A 36 25.911 -2.050 21.679 1.00 26.95 C ATOM 309 O LEU A 36 26.514 -2.483 22.667 1.00 30.56 O ATOM 310 CB LEU A 36 25.436 -3.087 19.455 1.00 30.10 C ATOM 311 CG LEU A 36 26.013 -4.411 18.977 1.00 33.34 C ATOM 312 CD1 LEU A 36 25.055 -5.538 19.323 1.00 38.20 C ATOM 313 CD2 LEU A 36 26.235 -4.340 17.466 1.00 33.80 C ATOM 314 N TYR A 37 26.056 -0.800 21.236 1.00 24.33 N ATOM 315 CA TYR A 37 26.959 0.142 21.892 1.00 25.07 C ATOM 316 C TYR A 37 26.229 1.278 22.601 1.00 25.51 C ATOM 317 O TYR A 37 26.756 1.864 23.539 1.00 26.03 O ATOM 318 CB TYR A 37 27.924 0.769 20.868 1.00 23.38 C ATOM 319 CG TYR A 37 28.404 -0.168 19.780 1.00 18.48 C ATOM 320 CD1 TYR A 37 29.433 -1.080 20.022 1.00 17.81 C ATOM 321 CD2 TYR A 37 27.813 -0.159 18.528 1.00 13.63 C ATOM 322 CE1 TYR A 37 29.863 -1.966 19.040 1.00 19.62 C ATOM 323 CE2 TYR A 37 28.229 -1.040 17.530 1.00 16.82 C ATOM 324 CZ TYR A 37 29.254 -1.938 17.790 1.00 18.97 C ATOM 325 OH TYR A 37 29.692 -2.778 16.793 1.00 17.78 O ATOM 326 N HIS A 38 25.013 1.565 22.152 1.00 24.34 N ATOM 327 CA HIS A 38 24.221 2.667 22.677 1.00 24.50 C ATOM 328 C HIS A 38 22.746 2.289 22.587 1.00 20.86 C ATOM 329 O HIS A 38 22.378 1.476 21.749 1.00 17.97 O ATOM 330 CB HIS A 38 24.503 3.889 21.795 1.00 26.30 C ATOM 331 CG HIS A 38 24.193 5.200 22.434 1.00 31.03 C ATOM 332 ND1 HIS A 38 23.121 5.974 22.050 1.00 33.19 N ATOM 333 CD2 HIS A 38 24.845 5.903 23.389 1.00 32.32 C ATOM 334 CE1 HIS A 38 23.124 7.100 22.743 1.00 32.68 C ATOM 335 NE2 HIS A 38 24.162 7.080 23.560 1.00 33.70 N ATOM 336 N CYS A 39 21.899 2.866 23.437 1.00 19.37 N ATOM 337 CA CYS A 39 20.473 2.551 23.365 1.00 20.85 C ATOM 338 C CYS A 39 19.787 3.380 22.280 1.00 21.19 C ATOM 339 O CYS A 39 19.648 4.585 22.419 1.00 24.67 O ATOM 340 CB CYS A 39 19.767 2.807 24.705 1.00 19.61 C ATOM 341 SG CYS A 39 20.438 1.922 26.151 1.00 20.76 S ATOM 342 N LYS A 40 19.363 2.744 21.195 1.00 20.45 N ATOM 343 CA LYS A 40 18.682 3.478 20.131 1.00 20.11 C ATOM 344 C LYS A 40 17.490 4.150 20.819 1.00 19.79 C ATOM 345 O LYS A 40 16.716 3.498 21.529 1.00 21.98 O ATOM 346 CB LYS A 40 18.242 2.514 19.024 1.00 19.66 C ATOM 347 CG LYS A 40 17.587 3.182 17.841 1.00 20.71 C ATOM 348 CD LYS A 40 17.457 2.234 16.687 1.00 18.47 C ATOM 349 CE LYS A 40 17.447 2.971 15.375 1.00 21.05 C ATOM 350 NZ LYS A 40 16.204 2.660 14.632 1.00 20.99 N ATOM 351 N ARG A 41 17.334 5.449 20.612 1.00 18.54 N ATOM 352 CA ARG A 41 16.279 6.166 21.294 1.00 17.03 C ATOM 353 C ARG A 41 14.872 5.784 20.960 1.00 16.84 C ATOM 354 O ARG A 41 14.035 5.698 21.853 1.00 20.24 O ATOM 355 CB ARG A 41 16.435 7.678 21.099 1.00 22.65 C ATOM 356 CG ARG A 41 15.600 8.517 22.094 1.00 23.38 C ATOM 357 CD ARG A 41 15.619 9.991 21.749 0.00 23.52 C ATOM 358 NE ARG A 41 16.772 10.673 22.328 0.00 23.72 N ATOM 359 CZ ARG A 41 17.392 11.700 21.757 0.00 23.69 C ATOM 360 NH1 ARG A 41 16.970 12.165 20.589 0.00 23.92 N ATOM 361 NH2 ARG A 41 18.434 12.265 22.353 0.00 24.08 N ATOM 362 N PHE A 42 14.592 5.584 19.683 1.00 13.57 N ATOM 363 CA PHE A 42 13.252 5.240 19.285 1.00 14.92 C ATOM 364 C PHE A 42 13.301 4.305 18.099 1.00 16.07 C ATOM 365 O PHE A 42 14.152 4.477 17.232 1.00 20.15 O ATOM 366 CB PHE A 42 12.501 6.513 18.919 1.00 18.07 C ATOM 367 CG PHE A 42 11.040 6.301 18.653 0.00 24.72 C ATOM 368 CD1 PHE A 42 10.167 6.002 19.692 0.00 26.85 C ATOM 369 CD2 PHE A 42 10.535 6.418 17.365 1.00 29.23 C ATOM 370 CE1 PHE A 42 8.809 5.825 19.456 0.00 28.95 C ATOM 371 CE2 PHE A 42 9.174 6.244 17.112 1.00 31.78 C ATOM 372 CZ PHE A 42 8.311 5.946 18.166 1.00 31.75 C ATOM 373 N ASN A 43 12.411 3.305 18.076 1.00 14.59 N ATOM 374 CA ASN A 43 12.317 2.353 16.964 1.00 11.09 C ATOM 375 C ASN A 43 10.908 1.796 16.847 1.00 8.15 C ATOM 376 O ASN A 43 10.209 1.658 17.828 1.00 13.82 O ATOM 377 CB ASN A 43 13.325 1.192 17.118 1.00 10.80 C ATOM 378 CG ASN A 43 13.562 0.433 15.797 1.00 11.58 C ATOM 379 OD1 ASN A 43 14.216 0.941 14.895 1.00 14.90 O ATOM 380 ND2 ASN A 43 13.012 -0.778 15.686 1.00 6.48 N ATOM 381 N THR A 44 10.493 1.492 15.630 1.00 7.69 N ATOM 382 CA THR A 44 9.184 0.934 15.374 1.00 8.41 C ATOM 383 C THR A 44 9.385 -0.451 14.752 1.00 10.94 C ATOM 384 O THR A 44 10.288 -0.651 13.943 1.00 7.80 O ATOM 385 CB THR A 44 8.402 1.790 14.351 1.00 8.03 C ATOM 386 OG1 THR A 44 8.319 3.138 14.821 1.00 8.33 O ATOM 387 CG2 THR A 44 6.994 1.253 14.128 1.00 3.28 C ATOM 388 N PHE A 45 8.540 -1.401 15.137 1.00 10.74 N ATOM 389 CA PHE A 45 8.589 -2.741 14.558 1.00 10.83 C ATOM 390 C PHE A 45 7.305 -2.929 13.760 1.00 9.17 C ATOM 391 O PHE A 45 6.217 -2.585 14.208 1.00 6.86 O ATOM 392 CB PHE A 45 8.682 -3.809 15.647 1.00 4.74 C ATOM 393 CG PHE A 45 10.034 -3.931 16.246 1.00 6.93 C ATOM 394 CD1 PHE A 45 11.053 -4.568 15.560 1.00 11.77 C ATOM 395 CD2 PHE A 45 10.306 -3.397 17.497 1.00 6.80 C ATOM 396 CE1 PHE A 45 12.354 -4.676 16.120 1.00 6.86 C ATOM 397 CE2 PHE A 45 11.591 -3.504 18.056 1.00 9.77 C ATOM 398 CZ PHE A 45 12.607 -4.142 17.364 1.00 8.68 C ATOM 399 N ILE A 46 7.410 -3.451 12.552 1.00 9.32 N ATOM 400 CA ILE A 46 6.196 -3.632 11.806 1.00 10.06 C ATOM 401 C ILE A 46 5.795 -5.095 11.868 1.00 11.71 C ATOM 402 O ILE A 46 6.609 -5.969 11.618 1.00 14.06 O ATOM 403 CB ILE A 46 6.378 -3.161 10.357 1.00 10.38 C ATOM 404 CG1 ILE A 46 6.881 -1.706 10.358 1.00 9.92 C ATOM 405 CG2 ILE A 46 5.051 -3.293 9.597 1.00 6.12 C ATOM 406 CD1 ILE A 46 7.718 -1.291 9.115 1.00 15.40 C ATOM 407 N HIS A 47 4.543 -5.357 12.238 1.00 9.42 N ATOM 408 CA HIS A 47 4.075 -6.728 12.336 1.00 8.23 C ATOM 409 C HIS A 47 3.211 -7.054 11.130 1.00 11.31 C ATOM 410 O HIS A 47 2.006 -7.199 11.237 1.00 16.60 O ATOM 411 CB HIS A 47 3.315 -6.929 13.662 1.00 3.44 C ATOM 412 CG HIS A 47 4.066 -6.431 14.866 1.00 3.58 C ATOM 413 ND1 HIS A 47 5.339 -6.855 15.190 1.00 7.06 N ATOM 414 CD2 HIS A 47 3.724 -5.527 15.814 1.00 3.17 C ATOM 415 CE1 HIS A 47 5.748 -6.234 16.280 1.00 3.49 C ATOM 416 NE2 HIS A 47 4.785 -5.424 16.679 1.00 5.04 N ATOM 417 N GLU A 48 3.844 -7.153 9.963 1.00 13.86 N ATOM 418 CA GLU A 48 3.148 -7.458 8.713 1.00 11.76 C ATOM 419 C GLU A 48 4.038 -8.349 7.857 1.00 14.16 C ATOM 420 O GLU A 48 5.248 -8.437 8.092 1.00 12.31 O ATOM 421 CB GLU A 48 2.846 -6.175 7.948 1.00 12.89 C ATOM 422 CG GLU A 48 2.058 -5.170 8.742 1.00 16.56 C ATOM 423 CD GLU A 48 0.565 -5.478 8.756 1.00 21.68 C ATOM 424 OE1 GLU A 48 0.084 -6.130 7.807 1.00 24.30 O ATOM 425 OE2 GLU A 48 -0.136 -5.070 9.706 1.00 17.19 O ATOM 426 N ASP A 49 3.437 -9.006 6.869 1.00 15.24 N ATOM 427 CA ASP A 49 4.182 -9.876 5.971 1.00 17.43 C ATOM 428 C ASP A 49 5.129 -9.056 5.102 1.00 15.86 C ATOM 429 O ASP A 49 4.781 -7.959 4.670 1.00 17.04 O ATOM 430 CB ASP A 49 3.220 -10.658 5.080 1.00 22.89 C ATOM 431 CG ASP A 49 2.570 -11.808 5.810 0.50 28.74 C ATOM 432 OD1 ASP A 49 3.272 -12.471 6.603 0.50 32.70 O ATOM 433 OD2 ASP A 49 1.361 -12.051 5.604 0.50 32.58 O ATOM 434 N ILE A 50 6.315 -9.599 4.850 1.00 12.59 N ATOM 435 CA ILE A 50 7.337 -8.943 4.049 1.00 13.53 C ATOM 436 C ILE A 50 6.827 -8.446 2.698 1.00 14.70 C ATOM 437 O ILE A 50 7.274 -7.416 2.197 1.00 17.16 O ATOM 438 CB ILE A 50 8.553 -9.897 3.834 1.00 12.77 C ATOM 439 CG1 ILE A 50 9.399 -9.905 5.096 1.00 13.06 C ATOM 440 CG2 ILE A 50 9.433 -9.434 2.663 1.00 13.69 C ATOM 441 CD1 ILE A 50 10.607 -10.813 5.036 1.00 16.52 C ATOM 442 N TRP A 51 5.890 -9.171 2.106 1.00 14.29 N ATOM 443 CA TRP A 51 5.363 -8.792 0.817 1.00 12.52 C ATOM 444 C TRP A 51 4.310 -7.697 0.963 1.00 14.34 C ATOM 445 O TRP A 51 4.032 -6.960 0.027 1.00 12.21 O ATOM 446 CB TRP A 51 4.773 -10.024 0.116 1.00 16.45 C ATOM 447 CG TRP A 51 5.798 -10.874 -0.564 1.00 18.36 C ATOM 448 CD1 TRP A 51 6.205 -12.118 -0.188 1.00 22.90 C ATOM 449 CD2 TRP A 51 6.578 -10.529 -1.712 1.00 19.40 C ATOM 450 NE1 TRP A 51 7.196 -12.571 -1.028 1.00 20.80 N ATOM 451 CE2 TRP A 51 7.444 -11.617 -1.973 1.00 20.27 C ATOM 452 CE3 TRP A 51 6.633 -9.409 -2.546 1.00 18.52 C ATOM 453 CZ2 TRP A 51 8.350 -11.618 -3.029 1.00 19.07 C ATOM 454 CZ3 TRP A 51 7.544 -9.410 -3.602 1.00 21.75 C ATOM 455 CH2 TRP A 51 8.389 -10.512 -3.831 1.00 20.40 C ATOM 456 N ASN A 52 3.710 -7.598 2.139 1.00 16.49 N ATOM 457 CA ASN A 52 2.725 -6.570 2.384 1.00 14.78 C ATOM 458 C ASN A 52 3.445 -5.249 2.462 1.00 15.61 C ATOM 459 O ASN A 52 2.921 -4.227 2.040 1.00 17.89 O ATOM 460 CB ASN A 52 2.019 -6.828 3.687 1.00 18.44 C ATOM 461 CG ASN A 52 0.915 -7.811 3.524 1.00 26.46 C ATOM 462 OD1 ASN A 52 0.246 -7.829 2.489 1.00 33.50 O ATOM 463 ND2 ASN A 52 0.712 -8.658 4.525 1.00 30.66 N ATOM 464 N ILE A 53 4.651 -5.290 3.014 1.00 13.17 N ATOM 465 CA ILE A 53 5.488 -4.109 3.148 1.00 14.50 C ATOM 466 C ILE A 53 6.207 -3.704 1.851 1.00 14.71 C ATOM 467 O ILE A 53 6.337 -2.507 1.570 1.00 17.49 O ATOM 468 CB ILE A 53 6.508 -4.316 4.275 1.00 13.70 C ATOM 469 CG1 ILE A 53 5.742 -4.655 5.566 1.00 11.29 C ATOM 470 CG2 ILE A 53 7.400 -3.075 4.414 1.00 12.14 C ATOM 471 CD1 ILE A 53 6.531 -5.376 6.596 1.00 6.79 C ATOM 472 N ARG A 54 6.666 -4.673 1.055 1.00 13.64 N ATOM 473 CA ARG A 54 7.333 -4.346 -0.196 1.00 11.43 C ATOM 474 C ARG A 54 6.287 -3.775 -1.131 1.00 15.07 C ATOM 475 O ARG A 54 6.597 -3.013 -2.043 1.00 17.79 O ATOM 476 CB ARG A 54 7.966 -5.585 -0.821 1.00 14.55 C ATOM 477 CG ARG A 54 9.174 -6.099 -0.051 1.00 12.93 C ATOM 478 CD ARG A 54 10.054 -7.102 -0.844 1.00 16.05 C ATOM 479 NE ARG A 54 10.023 -6.953 -2.298 1.00 11.27 N ATOM 480 CZ ARG A 54 10.792 -7.647 -3.132 1.00 15.68 C ATOM 481 NH1 ARG A 54 11.656 -8.544 -2.660 1.00 12.32 N ATOM 482 NH2 ARG A 54 10.704 -7.441 -4.440 1.00 13.87 N ATOM 483 N SER A 55 5.032 -4.131 -0.880 1.00 14.28 N ATOM 484 CA SER A 55 3.905 -3.662 -1.680 1.00 15.10 C ATOM 485 C SER A 55 3.537 -2.184 -1.401 1.00 16.01 C ATOM 486 O SER A 55 2.803 -1.562 -2.173 1.00 13.08 O ATOM 487 CB SER A 55 2.700 -4.560 -1.407 1.00 18.42 C ATOM 488 OG SER A 55 1.519 -4.064 -2.015 1.00 25.32 O ATOM 489 N ILE A 56 4.033 -1.634 -0.293 1.00 16.71 N ATOM 490 CA ILE A 56 3.784 -0.235 0.033 1.00 13.38 C ATOM 491 C ILE A 56 4.604 0.625 -0.939 1.00 15.11 C ATOM 492 O ILE A 56 4.221 1.758 -1.255 1.00 13.48 O ATOM 493 CB ILE A 56 4.191 0.067 1.479 1.00 12.08 C ATOM 494 CG1 ILE A 56 3.196 -0.585 2.449 1.00 11.08 C ATOM 495 CG2 ILE A 56 4.219 1.562 1.714 1.00 15.01 C ATOM 496 CD1 ILE A 56 3.704 -0.598 3.893 1.00 8.90 C ATOM 497 N CYS A 57 5.716 0.074 -1.437 1.00 15.92 N ATOM 498 CA CYS A 57 6.562 0.785 -2.396 1.00 14.79 C ATOM 499 C CYS A 57 5.818 1.126 -3.663 1.00 15.64 C ATOM 500 O CYS A 57 6.205 2.057 -4.368 1.00 15.34 O ATOM 501 CB CYS A 57 7.784 -0.037 -2.788 1.00 11.35 C ATOM 502 SG CYS A 57 8.943 -0.322 -1.430 1.00 13.23 S ATOM 503 N SER A 58 4.754 0.390 -3.967 1.00 15.75 N ATOM 504 CA SER A 58 4.021 0.659 -5.191 1.00 19.49 C ATOM 505 C SER A 58 2.900 1.674 -5.101 1.00 20.17 C ATOM 506 O SER A 58 2.248 1.965 -6.095 1.00 20.92 O ATOM 507 CB SER A 58 3.492 -0.644 -5.785 1.00 24.92 C ATOM 508 OG SER A 58 4.590 -1.462 -6.171 1.00 36.68 O ATOM 509 N THR A 59 2.668 2.234 -3.926 1.00 18.47 N ATOM 510 CA THR A 59 1.612 3.231 -3.807 1.00 18.79 C ATOM 511 C THR A 59 2.128 4.573 -4.330 1.00 19.00 C ATOM 512 O THR A 59 3.326 4.757 -4.541 1.00 18.68 O ATOM 513 CB THR A 59 1.175 3.432 -2.349 1.00 19.62 C ATOM 514 OG1 THR A 59 2.342 3.547 -1.528 1.00 19.07 O ATOM 515 CG2 THR A 59 0.337 2.273 -1.875 1.00 18.10 C ATOM 516 N THR A 60 1.215 5.512 -4.538 1.00 19.97 N ATOM 517 CA THR A 60 1.587 6.826 -5.025 1.00 25.61 C ATOM 518 C THR A 60 2.711 7.407 -4.167 1.00 26.29 C ATOM 519 O THR A 60 2.811 7.130 -2.969 1.00 28.39 O ATOM 520 CB THR A 60 0.383 7.793 -4.996 1.00 27.06 C ATOM 521 OG1 THR A 60 -0.699 7.234 -5.752 1.00 30.75 O ATOM 522 CG2 THR A 60 0.765 9.149 -5.609 1.00 31.09 C ATOM 523 N ASN A 61 3.558 8.212 -4.795 1.00 26.91 N ATOM 524 CA ASN A 61 4.680 8.848 -4.122 1.00 25.83 C ATOM 525 C ASN A 61 4.282 10.061 -3.264 1.00 23.15 C ATOM 526 O ASN A 61 3.401 10.847 -3.647 1.00 21.69 O ATOM 527 CB ASN A 61 5.683 9.294 -5.181 1.00 33.22 C ATOM 528 CG ASN A 61 6.786 8.297 -5.387 1.00 38.58 C ATOM 529 OD1 ASN A 61 7.011 7.834 -6.501 1.00 44.94 O ATOM 530 ND2 ASN A 61 7.492 7.959 -4.311 1.00 44.12 N ATOM 531 N ILE A 62 4.930 10.196 -2.105 1.00 19.50 N ATOM 532 CA ILE A 62 4.705 11.331 -1.213 1.00 16.22 C ATOM 533 C ILE A 62 6.058 11.846 -0.727 1.00 16.72 C ATOM 534 O ILE A 62 7.077 11.182 -0.898 1.00 12.65 O ATOM 535 CB ILE A 62 3.770 10.986 -0.005 1.00 16.12 C ATOM 536 CG1 ILE A 62 4.410 9.975 0.924 1.00 10.91 C ATOM 537 CG2 ILE A 62 2.437 10.461 -0.515 1.00 16.41 C ATOM 538 CD1 ILE A 62 3.790 9.996 2.292 1.00 12.83 C ATOM 539 N GLN A 63 6.080 13.037 -0.139 1.00 15.68 N ATOM 540 CA GLN A 63 7.335 13.621 0.301 1.00 16.07 C ATOM 541 C GLN A 63 7.964 13.027 1.560 1.00 13.85 C ATOM 542 O GLN A 63 7.290 12.763 2.546 1.00 13.37 O ATOM 543 CB GLN A 63 7.163 15.150 0.470 1.00 18.02 C ATOM 544 CG GLN A 63 8.488 15.932 0.560 1.00 23.91 C ATOM 545 CD GLN A 63 8.302 17.458 0.578 1.00 28.05 C ATOM 546 OE1 GLN A 63 7.460 17.961 -0.311 1.00 30.32 O ATOM 547 NE2 GLN A 63 8.913 18.163 1.383 1.00 28.81 N ATOM 548 N CYS A 64 9.269 12.819 1.521 1.00 12.56 N ATOM 549 CA CYS A 64 9.967 12.315 2.690 1.00 11.60 C ATOM 550 C CYS A 64 10.271 13.555 3.497 1.00 13.63 C ATOM 551 O CYS A 64 10.116 14.667 3.001 1.00 13.98 O ATOM 552 CB CYS A 64 11.281 11.649 2.312 1.00 8.50 C ATOM 553 SG CYS A 64 11.064 10.314 1.112 1.00 11.95 S ATOM 554 N LYS A 65 10.725 13.359 4.726 1.00 14.75 N ATOM 555 CA LYS A 65 11.045 14.466 5.608 1.00 16.88 C ATOM 556 C LYS A 65 12.232 15.259 5.075 1.00 17.60 C ATOM 557 O LYS A 65 12.418 16.409 5.450 1.00 20.38 O ATOM 558 CB LYS A 65 11.358 13.937 7.006 1.00 17.67 C ATOM 559 CG LYS A 65 10.110 13.438 7.751 1.00 22.06 C ATOM 560 CD LYS A 65 10.434 12.913 9.156 1.00 20.70 C ATOM 561 CE LYS A 65 9.199 12.312 9.821 1.00 21.70 C ATOM 562 NZ LYS A 65 9.568 11.567 11.064 1.00 28.28 N ATOM 563 N ASN A 66 13.018 14.638 4.193 1.00 15.98 N ATOM 564 CA ASN A 66 14.212 15.250 3.614 1.00 13.53 C ATOM 565 C ASN A 66 14.024 15.928 2.266 1.00 12.53 C ATOM 566 O ASN A 66 14.993 16.390 1.677 1.00 15.95 O ATOM 567 CB ASN A 66 15.350 14.211 3.511 1.00 16.44 C ATOM 568 CG ASN A 66 15.079 13.095 2.490 1.00 15.46 C ATOM 569 OD1 ASN A 66 14.064 13.083 1.776 1.00 15.10 O ATOM 570 ND2 ASN A 66 16.006 12.149 2.425 1.00 15.34 N ATOM 571 N GLY A 67 12.789 16.007 1.779 1.00 10.43 N ATOM 572 CA GLY A 67 12.557 16.642 0.496 1.00 10.40 C ATOM 573 C GLY A 67 12.396 15.705 -0.696 1.00 13.82 C ATOM 574 O GLY A 67 11.700 16.045 -1.655 1.00 13.47 O ATOM 575 N LYS A 68 13.031 14.532 -0.663 1.00 13.76 N ATOM 576 CA LYS A 68 12.911 13.597 -1.784 1.00 12.49 C ATOM 577 C LYS A 68 11.479 13.117 -1.910 1.00 9.85 C ATOM 578 O LYS A 68 10.697 13.215 -0.980 1.00 11.55 O ATOM 579 CB LYS A 68 13.835 12.405 -1.595 1.00 11.32 C ATOM 580 CG LYS A 68 15.293 12.767 -1.693 1.00 12.54 C ATOM 581 CD LYS A 68 16.181 11.532 -1.592 1.00 17.34 C ATOM 582 CE LYS A 68 17.334 11.753 -0.638 0.00 15.68 C ATOM 583 NZ LYS A 68 18.562 11.042 -1.088 0.00 15.73 N ATOM 584 N MET A 69 11.136 12.589 -3.067 1.00 10.60 N ATOM 585 CA MET A 69 9.785 12.113 -3.299 1.00 11.16 C ATOM 586 C MET A 69 9.703 10.611 -3.518 1.00 10.59 C ATOM 587 O MET A 69 8.861 10.136 -4.267 1.00 9.62 O ATOM 588 CB MET A 69 9.215 12.842 -4.498 1.00 14.91 C ATOM 589 CG MET A 69 9.163 14.315 -4.270 1.00 19.96 C ATOM 590 SD MET A 69 7.701 14.616 -3.311 1.00 30.99 S ATOM 591 CE MET A 69 6.407 14.079 -4.541 1.00 23.05 C ATOM 592 N ASN A 70 10.575 9.856 -2.863 1.00 8.94 N ATOM 593 CA ASN A 70 10.544 8.411 -3.023 1.00 9.92 C ATOM 594 C ASN A 70 10.008 7.719 -1.757 1.00 10.40 C ATOM 595 O ASN A 70 10.456 6.648 -1.390 1.00 9.37 O ATOM 596 CB ASN A 70 11.951 7.895 -3.416 1.00 10.11 C ATOM 597 CG ASN A 70 13.010 8.172 -2.372 1.00 13.90 C ATOM 598 OD1 ASN A 70 12.938 9.160 -1.632 1.00 20.59 O ATOM 599 ND2 ASN A 70 14.017 7.302 -2.310 1.00 15.29 N ATOM 600 N CYS A 71 9.044 8.353 -1.091 1.00 10.20 N ATOM 601 CA CYS A 71 8.468 7.798 0.120 1.00 8.30 C ATOM 602 C CYS A 71 7.060 7.389 -0.189 1.00 10.57 C ATOM 603 O CYS A 71 6.474 7.837 -1.171 1.00 10.24 O ATOM 604 CB CYS A 71 8.471 8.795 1.285 1.00 2.00 C ATOM 605 SG CYS A 71 10.080 8.870 2.162 1.00 9.30 S ATOM 606 N HIS A 72 6.535 6.506 0.657 1.00 14.65 N ATOM 607 CA HIS A 72 5.203 5.943 0.489 1.00 13.11 C ATOM 608 C HIS A 72 4.626 5.678 1.858 1.00 12.40 C ATOM 609 O HIS A 72 5.363 5.559 2.850 1.00 13.36 O ATOM 610 CB HIS A 72 5.295 4.632 -0.300 1.00 11.72 C ATOM 611 CG HIS A 72 6.135 4.743 -1.531 1.00 7.82 C ATOM 612 ND1 HIS A 72 5.600 5.049 -2.762 1.00 8.68 N ATOM 613 CD2 HIS A 72 7.479 4.743 -1.695 1.00 3.00 C ATOM 614 CE1 HIS A 72 6.575 5.242 -3.628 1.00 8.04 C ATOM 615 NE2 HIS A 72 7.724 5.062 -3.008 1.00 8.72 N ATOM 616 N GLU A 73 3.310 5.582 1.919 1.00 12.43 N ATOM 617 CA GLU A 73 2.667 5.368 3.193 1.00 16.13 C ATOM 618 C GLU A 73 1.740 4.179 3.197 1.00 13.86 C ATOM 619 O GLU A 73 1.256 3.745 2.151 1.00 12.48 O ATOM 620 CB GLU A 73 1.885 6.626 3.598 1.00 21.55 C ATOM 621 CG GLU A 73 1.104 7.247 2.438 1.00 28.89 C ATOM 622 CD GLU A 73 -0.367 7.424 2.732 1.00 32.91 C ATOM 623 OE1 GLU A 73 -1.018 6.492 3.263 1.00 38.16 O ATOM 624 OE2 GLU A 73 -0.880 8.510 2.428 1.00 35.33 O ATOM 625 N GLY A 74 1.506 3.664 4.399 1.00 13.11 N ATOM 626 CA GLY A 74 0.607 2.538 4.586 1.00 15.65 C ATOM 627 C GLY A 74 0.195 2.439 6.048 1.00 14.73 C ATOM 628 O GLY A 74 0.934 2.876 6.923 1.00 13.80 O ATOM 629 N VAL A 75 -0.995 1.912 6.328 1.00 18.21 N ATOM 630 CA VAL A 75 -1.436 1.741 7.729 1.00 17.76 C ATOM 631 C VAL A 75 -1.161 0.290 8.142 1.00 14.82 C ATOM 632 O VAL A 75 -1.716 -0.662 7.566 1.00 16.32 O ATOM 633 CB VAL A 75 -2.925 2.092 7.898 1.00 17.06 C ATOM 634 CG1 VAL A 75 -3.257 2.283 9.404 1.00 20.44 C ATOM 635 CG2 VAL A 75 -3.227 3.382 7.134 1.00 13.14 C ATOM 636 N VAL A 76 -0.273 0.130 9.119 1.00 14.91 N ATOM 637 CA VAL A 76 0.127 -1.187 9.562 1.00 13.48 C ATOM 638 C VAL A 76 0.204 -1.349 11.077 1.00 13.16 C ATOM 639 O VAL A 76 0.324 -0.377 11.808 1.00 10.37 O ATOM 640 CB VAL A 76 1.514 -1.551 8.957 1.00 12.00 C ATOM 641 CG1 VAL A 76 1.462 -1.490 7.456 1.00 14.97 C ATOM 642 CG2 VAL A 76 2.579 -0.603 9.458 1.00 11.39 C ATOM 643 N LYS A 77 0.158 -2.596 11.531 1.00 11.09 N ATOM 644 CA LYS A 77 0.268 -2.907 12.949 1.00 10.46 C ATOM 645 C LYS A 77 1.712 -2.715 13.311 1.00 9.48 C ATOM 646 O LYS A 77 2.596 -3.264 12.664 1.00 8.48 O ATOM 647 CB LYS A 77 -0.095 -4.363 13.221 1.00 14.68 C ATOM 648 CG LYS A 77 -1.549 -4.679 13.087 1.00 18.19 C ATOM 649 CD LYS A 77 -1.893 -5.857 13.973 1.00 25.32 C ATOM 650 CE LYS A 77 -1.099 -7.080 13.552 1.00 25.64 C ATOM 651 NZ LYS A 77 -1.612 -8.329 14.170 0.00 24.02 N ATOM 652 N VAL A 78 1.959 -1.957 14.361 1.00 10.54 N ATOM 653 CA VAL A 78 3.330 -1.689 14.769 1.00 11.59 C ATOM 654 C VAL A 78 3.429 -1.683 16.293 1.00 14.62 C ATOM 655 O VAL A 78 2.418 -1.721 16.996 1.00 13.10 O ATOM 656 CB VAL A 78 3.823 -0.267 14.298 1.00 11.49 C ATOM 657 CG1 VAL A 78 3.468 0.004 12.865 1.00 8.85 C ATOM 658 CG2 VAL A 78 3.190 0.798 15.161 1.00 4.52 C ATOM 659 N THR A 79 4.674 -1.642 16.766 1.00 14.71 N ATOM 660 CA THR A 79 5.012 -1.526 18.162 1.00 10.70 C ATOM 661 C THR A 79 6.121 -0.469 18.112 1.00 8.90 C ATOM 662 O THR A 79 7.124 -0.644 17.433 1.00 7.62 O ATOM 663 CB THR A 79 5.586 -2.820 18.768 1.00 10.78 C ATOM 664 OG1 THR A 79 4.563 -3.819 18.843 1.00 9.81 O ATOM 665 CG2 THR A 79 6.082 -2.551 20.176 1.00 6.82 C ATOM 666 N ASP A 80 5.894 0.649 18.793 1.00 8.42 N ATOM 667 CA ASP A 80 6.870 1.733 18.889 1.00 7.72 C ATOM 668 C ASP A 80 7.584 1.558 20.224 1.00 6.59 C ATOM 669 O ASP A 80 6.943 1.454 21.258 1.00 10.78 O ATOM 670 CB ASP A 80 6.163 3.100 18.881 1.00 3.72 C ATOM 671 CG ASP A 80 5.610 3.454 17.541 1.00 2.96 C ATOM 672 OD1 ASP A 80 6.333 3.320 16.558 1.00 11.85 O ATOM 673 OD2 ASP A 80 4.459 3.877 17.437 1.00 14.33 O ATOM 674 N CYS A 81 8.905 1.536 20.196 1.00 7.02 N ATOM 675 CA CYS A 81 9.724 1.378 21.403 1.00 9.74 C ATOM 676 C CYS A 81 10.509 2.666 21.655 1.00 8.58 C ATOM 677 O CYS A 81 11.217 3.140 20.783 1.00 9.33 O ATOM 678 CB CYS A 81 10.704 0.206 21.228 1.00 6.85 C ATOM 679 SG CYS A 81 9.855 -1.369 20.893 1.00 12.95 S ATOM 680 N ARG A 82 10.369 3.216 22.854 1.00 11.27 N ATOM 681 CA ARG A 82 11.031 4.463 23.245 1.00 11.46 C ATOM 682 C ARG A 82 11.939 4.225 24.436 1.00 11.17 C ATOM 683 O ARG A 82 11.475 3.710 25.449 1.00 11.20 O ATOM 684 CB ARG A 82 9.969 5.507 23.619 1.00 16.12 C ATOM 685 CG ARG A 82 10.521 6.840 24.103 0.00 21.47 C ATOM 686 CD ARG A 82 10.038 7.159 25.513 0.00 27.48 C ATOM 687 NE ARG A 82 9.819 8.583 25.784 0.00 34.27 N ATOM 688 CZ ARG A 82 10.355 9.599 25.107 1.00 39.94 C ATOM 689 NH1 ARG A 82 11.166 9.389 24.072 1.00 41.99 N ATOM 690 NH2 ARG A 82 10.065 10.842 25.469 1.00 42.92 N ATOM 691 N ASP A 83 13.221 4.582 24.316 1.00 8.36 N ATOM 692 CA ASP A 83 14.157 4.393 25.410 1.00 10.47 C ATOM 693 C ASP A 83 13.688 5.157 26.657 1.00 14.16 C ATOM 694 O ASP A 83 13.211 6.270 26.538 1.00 17.34 O ATOM 695 CB ASP A 83 15.525 4.869 24.993 1.00 9.71 C ATOM 696 CG ASP A 83 16.521 4.726 26.086 1.00 13.42 C ATOM 697 OD1 ASP A 83 16.236 3.949 27.003 1.00 17.21 O ATOM 698 OD2 ASP A 83 17.566 5.388 26.045 1.00 15.37 O ATOM 699 N THR A 84 13.784 4.561 27.848 1.00 18.45 N ATOM 700 CA THR A 84 13.334 5.248 29.070 1.00 13.89 C ATOM 701 C THR A 84 14.431 6.143 29.652 1.00 16.43 C ATOM 702 O THR A 84 14.149 7.058 30.401 1.00 18.59 O ATOM 703 CB THR A 84 12.821 4.257 30.212 1.00 9.00 C ATOM 704 OG1 THR A 84 13.900 3.452 30.702 1.00 7.28 O ATOM 705 CG2 THR A 84 11.674 3.379 29.722 1.00 2.72 C ATOM 706 N GLY A 85 15.687 5.884 29.314 1.00 17.07 N ATOM 707 CA GLY A 85 16.746 6.729 29.830 1.00 19.68 C ATOM 708 C GLY A 85 17.244 6.361 31.207 1.00 23.54 C ATOM 709 O GLY A 85 18.193 6.973 31.703 1.00 25.48 O ATOM 710 N SER A 86 16.613 5.362 31.817 1.00 25.80 N ATOM 711 CA SER A 86 16.997 4.876 33.141 1.00 26.09 C ATOM 712 C SER A 86 18.401 4.294 33.097 1.00 25.07 C ATOM 713 O SER A 86 19.217 4.570 33.968 1.00 24.43 O ATOM 714 CB SER A 86 16.026 3.791 33.585 0.00 26.48 C ATOM 715 OG SER A 86 15.670 2.992 32.472 1.00 29.52 O ATOM 716 N SER A 87 18.674 3.456 32.090 1.00 28.74 N ATOM 717 CA SER A 87 20.013 2.856 31.943 1.00 26.76 C ATOM 718 C SER A 87 20.624 2.867 30.535 1.00 24.14 C ATOM 719 O SER A 87 19.978 3.223 29.553 1.00 23.18 O ATOM 720 CB SER A 87 20.053 1.427 32.512 1.00 28.93 C ATOM 721 OG SER A 87 18.965 0.628 32.083 1.00 34.66 O ATOM 722 N ARG A 88 21.882 2.453 30.466 1.00 20.40 N ATOM 723 CA ARG A 88 22.660 2.451 29.246 1.00 19.18 C ATOM 724 C ARG A 88 22.915 1.064 28.740 1.00 19.01 C ATOM 725 O ARG A 88 22.835 0.113 29.502 1.00 19.24 O ATOM 726 CB ARG A 88 23.997 3.108 29.528 1.00 24.25 C ATOM 727 CG ARG A 88 23.993 3.905 30.811 1.00 28.73 C ATOM 728 CD ARG A 88 25.182 4.796 30.891 1.00 32.50 C ATOM 729 NE ARG A 88 26.155 4.355 31.881 1.00 32.57 N ATOM 730 CZ ARG A 88 27.253 3.687 31.560 1.00 36.46 C ATOM 731 NH1 ARG A 88 27.485 3.398 30.285 1.00 40.79 N ATOM 732 NH2 ARG A 88 28.156 3.367 32.488 1.00 38.57 N ATOM 733 N ALA A 89 23.230 0.961 27.451 1.00 19.66 N ATOM 734 CA ALA A 89 23.545 -0.316 26.813 1.00 24.39 C ATOM 735 C ALA A 89 24.543 -1.055 27.707 1.00 27.52 C ATOM 736 O ALA A 89 25.410 -0.423 28.319 1.00 27.60 O ATOM 737 CB ALA A 89 24.157 -0.076 25.432 1.00 19.80 C ATOM 738 N PRO A 90 24.470 -2.406 27.761 1.00 32.21 N ATOM 739 CA PRO A 90 23.546 -3.293 27.056 1.00 32.59 C ATOM 740 C PRO A 90 22.227 -3.522 27.764 1.00 34.91 C ATOM 741 O PRO A 90 21.422 -4.319 27.296 1.00 37.90 O ATOM 742 CB PRO A 90 24.328 -4.590 26.965 1.00 34.62 C ATOM 743 CG PRO A 90 25.035 -4.643 28.270 1.00 33.82 C ATOM 744 CD PRO A 90 25.365 -3.195 28.634 1.00 32.94 C ATOM 745 N ASN A 91 22.009 -2.839 28.888 1.00 36.75 N ATOM 746 CA ASN A 91 20.775 -2.991 29.677 1.00 34.16 C ATOM 747 C ASN A 91 19.765 -1.886 29.421 1.00 31.19 C ATOM 748 O ASN A 91 19.323 -1.220 30.353 1.00 31.51 O ATOM 749 CB ASN A 91 21.120 -3.039 31.162 1.00 36.93 C ATOM 750 CG ASN A 91 22.332 -3.900 31.430 1.00 41.39 C ATOM 751 OD1 ASN A 91 22.535 -4.909 30.757 1.00 44.57 O ATOM 752 ND2 ASN A 91 23.152 -3.505 32.398 1.00 42.04 N ATOM 753 N CYS A 92 19.393 -1.719 28.153 1.00 25.11 N ATOM 754 CA CYS A 92 18.453 -0.695 27.742 1.00 19.26 C ATOM 755 C CYS A 92 17.024 -1.064 28.073 1.00 19.15 C ATOM 756 O CYS A 92 16.591 -2.175 27.818 1.00 20.27 O ATOM 757 CB CYS A 92 18.583 -0.450 26.234 1.00 18.96 C ATOM 758 SG CYS A 92 20.263 -0.030 25.665 1.00 18.21 S ATOM 759 N ARG A 93 16.280 -0.118 28.626 1.00 19.94 N ATOM 760 CA ARG A 93 14.888 -0.355 28.963 1.00 17.48 C ATOM 761 C ARG A 93 13.981 0.552 28.142 1.00 16.88 C ATOM 762 O ARG A 93 14.212 1.753 28.030 1.00 16.36 O ATOM 763 CB ARG A 93 14.682 -0.137 30.448 1.00 18.19 C ATOM 764 CG ARG A 93 15.817 -0.692 31.248 1.00 21.00 C ATOM 765 CD ARG A 93 15.303 -1.288 32.540 1.00 31.43 C ATOM 766 NE ARG A 93 15.434 -2.745 32.556 1.00 32.72 N ATOM 767 CZ ARG A 93 14.953 -3.529 33.514 0.00 31.93 C ATOM 768 NH1 ARG A 93 14.305 -3.001 34.544 0.00 31.64 N ATOM 769 NH2 ARG A 93 15.125 -4.841 33.445 0.00 31.85 N ATOM 770 N TYR A 94 12.944 -0.051 27.569 1.00 13.50 N ATOM 771 CA TYR A 94 12.009 0.631 26.702 1.00 7.91 C ATOM 772 C TYR A 94 10.596 0.551 27.194 1.00 9.35 C ATOM 773 O TYR A 94 10.235 -0.288 28.023 1.00 10.93 O ATOM 774 CB TYR A 94 12.071 0.023 25.282 1.00 7.84 C ATOM 775 CG TYR A 94 13.412 0.242 24.581 1.00 7.71 C ATOM 776 CD1 TYR A 94 14.525 -0.538 24.893 1.00 6.62 C ATOM 777 CD2 TYR A 94 13.583 1.292 23.675 1.00 8.07 C ATOM 778 CE1 TYR A 94 15.778 -0.268 24.323 1.00 5.85 C ATOM 779 CE2 TYR A 94 14.826 1.567 23.099 1.00 4.06 C ATOM 780 CZ TYR A 94 15.916 0.787 23.427 1.00 7.40 C ATOM 781 OH TYR A 94 17.132 1.046 22.837 1.00 11.99 O ATOM 782 N ARG A 95 9.795 1.461 26.677 1.00 8.57 N ATOM 783 CA ARG A 95 8.368 1.499 26.969 1.00 10.15 C ATOM 784 C ARG A 95 7.781 1.246 25.594 1.00 9.24 C ATOM 785 O ARG A 95 8.312 1.748 24.599 1.00 7.94 O ATOM 786 CB ARG A 95 7.927 2.880 27.460 1.00 12.74 C ATOM 787 CG ARG A 95 6.399 3.018 27.605 1.00 23.55 C ATOM 788 CD ARG A 95 5.840 2.354 28.914 1.00 27.57 C ATOM 789 NE ARG A 95 6.881 1.727 29.749 1.00 31.88 N ATOM 790 CZ ARG A 95 7.650 2.358 30.635 1.00 27.23 C ATOM 791 NH1 ARG A 95 7.516 3.661 30.829 0.00 29.00 N ATOM 792 NH2 ARG A 95 8.555 1.674 31.322 0.00 28.87 N ATOM 793 N ALA A 96 6.689 0.493 25.526 1.00 7.34 N ATOM 794 CA ALA A 96 6.100 0.194 24.243 1.00 7.81 C ATOM 795 C ALA A 96 4.697 0.746 24.097 1.00 9.49 C ATOM 796 O ALA A 96 3.996 0.932 25.072 1.00 13.24 O ATOM 797 CB ALA A 96 6.074 -1.295 24.038 1.00 9.61 C ATOM 798 N ILE A 97 4.315 1.032 22.861 1.00 9.81 N ATOM 799 CA ILE A 97 2.977 1.499 22.526 1.00 13.13 C ATOM 800 C ILE A 97 2.598 0.697 21.274 1.00 13.37 C ATOM 801 O ILE A 97 3.372 0.631 20.306 1.00 12.35 O ATOM 802 CB ILE A 97 2.942 2.997 22.167 1.00 12.53 C ATOM 803 CG1 ILE A 97 3.365 3.832 23.369 1.00 16.34 C ATOM 804 CG2 ILE A 97 1.542 3.399 21.741 1.00 12.18 C ATOM 805 CD1 ILE A 97 3.058 5.281 23.197 1.00 19.66 C ATOM 806 N ALA A 98 1.424 0.082 21.305 1.00 10.72 N ATOM 807 CA ALA A 98 0.956 -0.701 20.195 1.00 10.74 C ATOM 808 C ALA A 98 -0.161 0.044 19.520 1.00 14.24 C ATOM 809 O ALA A 98 -0.940 0.747 20.158 1.00 14.20 O ATOM 810 CB ALA A 98 0.442 -2.058 20.675 1.00 12.00 C ATOM 811 N SER A 99 -0.223 -0.116 18.205 1.00 12.94 N ATOM 812 CA SER A 99 -1.248 0.513 17.429 1.00 13.76 C ATOM 813 C SER A 99 -1.150 0.026 16.021 1.00 12.41 C ATOM 814 O SER A 99 -0.153 -0.660 15.659 1.00 14.43 O ATOM 815 CB SER A 99 -1.079 2.031 17.456 1.00 16.32 C ATOM 816 OG SER A 99 0.154 2.424 16.851 1.00 16.38 O ATOM 817 N THR A 100 -2.186 0.393 15.246 1.00 12.47 N ATOM 818 CA THR A 100 -2.250 0.071 13.833 1.00 11.99 C ATOM 819 C THR A 100 -2.260 1.539 13.380 1.00 11.73 C ATOM 820 O THR A 100 -3.242 2.240 13.618 1.00 13.48 O ATOM 821 CB THR A 100 -3.554 -0.575 13.407 1.00 13.15 C ATOM 822 OG1 THR A 100 -3.512 -1.930 13.813 1.00 16.64 O ATOM 823 CG2 THR A 100 -3.741 -0.476 11.866 1.00 8.76 C ATOM 824 N ARG A 101 -1.185 2.006 12.740 1.00 10.43 N ATOM 825 CA ARG A 101 -1.085 3.388 12.328 1.00 12.94 C ATOM 826 C ARG A 101 -0.418 3.568 11.005 1.00 14.63 C ATOM 827 O ARG A 101 0.217 2.652 10.481 1.00 18.65 O ATOM 828 CB ARG A 101 -0.295 4.197 13.376 1.00 9.17 C ATOM 829 CG ARG A 101 1.198 3.989 13.330 1.00 4.89 C ATOM 830 CD ARG A 101 1.858 4.822 14.374 1.00 5.95 C ATOM 831 NE ARG A 101 3.302 4.636 14.484 1.00 7.91 N ATOM 832 CZ ARG A 101 4.204 5.097 13.620 1.00 12.67 C ATOM 833 NH1 ARG A 101 3.803 5.777 12.551 1.00 11.01 N ATOM 834 NH2 ARG A 101 5.503 4.907 13.857 1.00 9.24 N ATOM 835 N ARG A 102 -0.526 4.803 10.515 1.00 13.61 N ATOM 836 CA ARG A 102 0.066 5.207 9.265 1.00 11.76 C ATOM 837 C ARG A 102 1.573 5.332 9.425 1.00 13.99 C ATOM 838 O ARG A 102 2.063 5.943 10.381 1.00 14.12 O ATOM 839 CB ARG A 102 -0.530 6.529 8.844 1.00 15.07 C ATOM 840 CG ARG A 102 0.186 7.171 7.682 1.00 20.27 C ATOM 841 CD ARG A 102 -0.625 8.345 7.119 1.00 17.96 C ATOM 842 NE ARG A 102 -1.431 7.906 5.994 1.00 23.94 N ATOM 843 CZ ARG A 102 -2.666 7.460 6.076 1.00 19.38 C ATOM 844 NH1 ARG A 102 -3.253 7.394 7.245 1.00 21.38 N ATOM 845 NH2 ARG A 102 -3.291 7.085 4.972 1.00 27.69 N ATOM 846 N VAL A 103 2.316 4.704 8.519 1.00 12.34 N ATOM 847 CA VAL A 103 3.767 4.794 8.593 1.00 12.88 C ATOM 848 C VAL A 103 4.255 5.256 7.230 1.00 11.72 C ATOM 849 O VAL A 103 3.556 5.128 6.215 1.00 9.99 O ATOM 850 CB VAL A 103 4.500 3.414 8.967 1.00 13.77 C ATOM 851 CG1 VAL A 103 3.945 2.884 10.273 1.00 14.76 C ATOM 852 CG2 VAL A 103 4.335 2.421 7.854 1.00 12.91 C ATOM 853 N VAL A 104 5.485 5.749 7.215 1.00 8.09 N ATOM 854 CA VAL A 104 6.086 6.257 6.004 1.00 11.98 C ATOM 855 C VAL A 104 7.471 5.629 5.803 1.00 10.11 C ATOM 856 O VAL A 104 8.330 5.666 6.672 1.00 13.30 O ATOM 857 CB VAL A 104 6.136 7.830 6.074 1.00 11.97 C ATOM 858 CG1 VAL A 104 6.915 8.382 4.910 1.00 11.48 C ATOM 859 CG2 VAL A 104 4.694 8.354 6.060 1.00 9.42 C ATOM 860 N ILE A 105 7.675 5.057 4.628 1.00 11.81 N ATOM 861 CA ILE A 105 8.936 4.412 4.313 1.00 11.76 C ATOM 862 C ILE A 105 9.476 4.868 2.959 1.00 9.78 C ATOM 863 O ILE A 105 8.729 5.267 2.066 1.00 9.85 O ATOM 864 CB ILE A 105 8.771 2.858 4.281 1.00 12.46 C ATOM 865 CG1 ILE A 105 7.652 2.487 3.307 1.00 16.62 C ATOM 866 CG2 ILE A 105 8.380 2.360 5.655 1.00 11.67 C ATOM 867 CD1 ILE A 105 8.016 1.335 2.421 1.00 20.66 C ATOM 868 N ALA A 106 10.788 4.790 2.816 1.00 9.32 N ATOM 869 CA ALA A 106 11.465 5.145 1.574 1.00 11.19 C ATOM 870 C ALA A 106 11.850 3.867 0.782 1.00 12.46 C ATOM 871 O ALA A 106 12.441 2.952 1.338 1.00 12.28 O ATOM 872 CB ALA A 106 12.721 5.954 1.901 1.00 8.10 C ATOM 873 N CYS A 107 11.511 3.832 -0.504 1.00 11.78 N ATOM 874 CA CYS A 107 11.826 2.700 -1.378 1.00 14.52 C ATOM 875 C CYS A 107 12.805 3.094 -2.490 1.00 17.83 C ATOM 876 O CYS A 107 12.694 4.182 -3.062 1.00 20.49 O ATOM 877 CB CYS A 107 10.548 2.172 -2.006 1.00 11.49 C ATOM 878 SG CYS A 107 9.405 1.525 -0.756 1.00 18.96 S ATOM 879 N GLU A 108 13.734 2.199 -2.813 1.00 16.27 N ATOM 880 CA GLU A 108 14.749 2.459 -3.827 1.00 16.36 C ATOM 881 C GLU A 108 15.022 1.221 -4.680 1.00 17.83 C ATOM 882 O GLU A 108 14.686 0.109 -4.311 1.00 16.47 O ATOM 883 CB GLU A 108 16.069 2.855 -3.148 1.00 18.43 C ATOM 884 CG GLU A 108 16.400 4.345 -3.171 1.00 25.88 C ATOM 885 CD GLU A 108 17.723 4.678 -2.477 0.50 23.61 C ATOM 886 OE1 GLU A 108 18.776 4.208 -2.944 0.50 27.62 O ATOM 887 OE2 GLU A 108 17.718 5.416 -1.468 0.50 22.52 O ATOM 888 N GLY A 109 15.646 1.427 -5.827 1.00 15.94 N ATOM 889 CA GLY A 109 16.021 0.304 -6.662 1.00 14.01 C ATOM 890 C GLY A 109 15.008 -0.192 -7.651 1.00 13.93 C ATOM 891 O GLY A 109 13.884 0.274 -7.724 1.00 12.29 O ATOM 892 N ASN A 110 15.442 -1.157 -8.445 1.00 17.63 N ATOM 893 CA ASN A 110 14.586 -1.766 -9.437 1.00 17.14 C ATOM 894 C ASN A 110 14.903 -3.267 -9.461 1.00 15.97 C ATOM 895 O ASN A 110 15.964 -3.683 -9.918 1.00 16.02 O ATOM 896 CB ASN A 110 14.868 -1.149 -10.799 1.00 20.92 C ATOM 897 CG ASN A 110 14.095 -1.820 -11.903 1.00 22.01 C ATOM 898 OD1 ASN A 110 13.353 -2.765 -11.670 1.00 25.85 O ATOM 899 ND2 ASN A 110 14.267 -1.336 -13.115 1.00 23.76 N ATOM 900 N PRO A 111 14.010 -4.105 -8.944 1.00 15.97 N ATOM 901 CA PRO A 111 12.738 -3.749 -8.343 1.00 13.81 C ATOM 902 C PRO A 111 12.930 -3.028 -7.055 1.00 12.56 C ATOM 903 O PRO A 111 13.995 -3.065 -6.370 1.00 9.17 O ATOM 904 CB PRO A 111 12.054 -5.090 -8.110 1.00 17.44 C ATOM 905 CG PRO A 111 13.165 -6.018 -7.931 1.00 18.38 C ATOM 906 CD PRO A 111 14.187 -5.555 -8.930 1.00 20.63 C ATOM 907 N GLN A 112 11.852 -2.358 -6.696 1.00 14.28 N ATOM 908 CA GLN A 112 11.908 -1.586 -5.505 1.00 17.82 C ATOM 909 C GLN A 112 11.823 -2.299 -4.201 1.00 15.29 C ATOM 910 O GLN A 112 11.077 -3.246 -4.038 1.00 17.94 O ATOM 911 CB GLN A 112 10.812 -0.614 -5.574 1.00 24.42 C ATOM 912 CG GLN A 112 10.970 0.334 -6.713 1.00 31.65 C ATOM 913 CD GLN A 112 10.241 1.612 -6.433 1.00 37.41 C ATOM 914 OE1 GLN A 112 9.125 1.819 -6.913 1.00 43.58 O ATOM 915 NE2 GLN A 112 10.855 2.483 -5.651 1.00 36.69 N ATOM 916 N VAL A 113 12.626 -1.839 -3.264 1.00 14.75 N ATOM 917 CA VAL A 113 12.630 -2.379 -1.922 1.00 13.93 C ATOM 918 C VAL A 113 12.681 -1.229 -0.875 1.00 13.56 C ATOM 919 O VAL A 113 13.143 -0.133 -1.175 1.00 7.91 O ATOM 920 CB VAL A 113 13.836 -3.335 -1.707 1.00 15.20 C ATOM 921 CG1 VAL A 113 13.660 -4.589 -2.559 1.00 15.35 C ATOM 922 CG2 VAL A 113 15.146 -2.648 -2.050 1.00 9.67 C ATOM 923 N PRO A 114 12.132 -1.465 0.343 1.00 11.78 N ATOM 924 CA PRO A 114 12.139 -0.465 1.423 1.00 9.28 C ATOM 925 C PRO A 114 13.578 -0.289 1.902 1.00 10.54 C ATOM 926 O PRO A 114 14.235 -1.272 2.234 1.00 12.69 O ATOM 927 CB PRO A 114 11.259 -1.082 2.524 1.00 11.36 C ATOM 928 CG PRO A 114 10.615 -2.279 1.941 1.00 14.40 C ATOM 929 CD PRO A 114 11.381 -2.688 0.708 1.00 9.03 C ATOM 930 N VAL A 115 14.082 0.944 1.960 1.00 8.65 N ATOM 931 CA VAL A 115 15.461 1.144 2.394 1.00 7.87 C ATOM 932 C VAL A 115 15.567 2.052 3.610 1.00 9.37 C ATOM 933 O VAL A 115 16.625 2.194 4.210 1.00 12.49 O ATOM 934 CB VAL A 115 16.317 1.744 1.242 1.00 10.75 C ATOM 935 CG1 VAL A 115 16.363 0.770 0.068 1.00 5.41 C ATOM 936 CG2 VAL A 115 15.717 3.081 0.764 1.00 8.53 C ATOM 937 N HIS A 116 14.456 2.663 3.987 1.00 11.43 N ATOM 938 CA HIS A 116 14.463 3.570 5.124 1.00 10.35 C ATOM 939 C HIS A 116 13.067 3.756 5.689 1.00 7.54 C ATOM 940 O HIS A 116 12.084 3.813 4.948 1.00 11.11 O ATOM 941 CB HIS A 116 15.053 4.930 4.673 1.00 11.56 C ATOM 942 CG HIS A 116 14.775 6.065 5.616 1.00 14.87 C ATOM 943 ND1 HIS A 116 15.539 6.306 6.740 1.00 13.57 N ATOM 944 CD2 HIS A 116 13.810 7.011 5.608 1.00 15.62 C ATOM 945 CE1 HIS A 116 15.053 7.350 7.384 1.00 10.89 C ATOM 946 NE2 HIS A 116 14.002 7.796 6.720 1.00 17.00 N ATOM 947 N PHE A 117 12.999 3.844 7.012 1.00 9.60 N ATOM 948 CA PHE A 117 11.753 4.054 7.739 1.00 10.28 C ATOM 949 C PHE A 117 11.717 5.552 8.018 1.00 13.39 C ATOM 950 O PHE A 117 12.485 6.040 8.840 1.00 12.44 O ATOM 951 CB PHE A 117 11.783 3.311 9.078 1.00 10.37 C ATOM 952 CG PHE A 117 10.483 3.365 9.828 1.00 8.27 C ATOM 953 CD1 PHE A 117 9.403 2.579 9.426 1.00 14.11 C ATOM 954 CD2 PHE A 117 10.307 4.242 10.890 1.00 10.79 C ATOM 955 CE1 PHE A 117 8.175 2.679 10.073 1.00 10.72 C ATOM 956 CE2 PHE A 117 9.085 4.339 11.530 1.00 12.12 C ATOM 957 CZ PHE A 117 8.024 3.560 11.123 1.00 11.31 C ATOM 958 N ASP A 118 10.834 6.276 7.352 1.00 13.17 N ATOM 959 CA ASP A 118 10.786 7.710 7.561 1.00 13.39 C ATOM 960 C ASP A 118 10.050 8.119 8.841 1.00 16.70 C ATOM 961 O ASP A 118 10.627 8.811 9.687 1.00 20.24 O ATOM 962 CB ASP A 118 10.157 8.393 6.359 1.00 14.27 C ATOM 963 CG ASP A 118 10.679 9.800 6.166 1.00 12.83 C ATOM 964 OD1 ASP A 118 11.868 10.041 6.468 1.00 12.84 O ATOM 965 OD2 ASP A 118 9.894 10.657 5.717 1.00 14.42 O ATOM 966 N GLY A 119 8.795 7.697 8.990 1.00 13.81 N ATOM 967 CA GLY A 119 8.043 8.025 10.186 1.00 15.03 C ATOM 968 C GLY A 119 6.810 7.170 10.422 1.00 15.37 C ATOM 969 O GLY A 119 6.280 6.576 9.475 1.00 19.39 O ATOM 970 OXT GLY A 119 6.350 7.093 11.564 1.00 19.09 O TER 971 GLY A 119 ATOM 972 N MET A 0 -5.607 23.092 32.263 0.00 39.27 N ATOM 973 CA MET A 0 -5.723 23.769 30.940 0.00 39.53 C ATOM 974 C MET A 0 -5.437 22.795 29.804 0.00 40.26 C ATOM 975 O MET A 0 -5.969 22.937 28.704 0.00 40.34 O ATOM 976 CB MET A 0 -4.746 24.947 30.864 0.00 38.40 C ATOM 977 CG MET A 0 -3.417 24.699 31.559 0.00 37.16 C ATOM 978 SD MET A 0 -3.324 25.484 33.180 0.00 36.32 S ATOM 979 CE MET A 0 -1.668 25.029 33.684 0.00 35.56 C ATOM 980 N GLN A 1 -4.593 21.805 30.078 0.00 41.69 N ATOM 981 CA GLN A 1 -4.233 20.805 29.080 0.00 43.45 C ATOM 982 C GLN A 1 -5.427 19.922 28.730 0.00 44.10 C ATOM 983 O GLN A 1 -5.506 19.378 27.629 0.00 43.62 O ATOM 984 CB GLN A 1 -3.085 19.934 29.597 0.00 43.87 C ATOM 985 CG GLN A 1 -2.003 20.705 30.336 0.00 45.71 C ATOM 986 CD GLN A 1 -1.914 20.325 31.801 0.00 46.66 C ATOM 987 OE1 GLN A 1 -2.891 20.430 32.542 0.00 47.19 O ATOM 988 NE2 GLN A 1 -0.737 19.881 32.227 0.00 47.47 N ATOM 989 N ASP A 2 -6.354 19.785 29.674 0.00 44.79 N ATOM 990 CA ASP A 2 -7.541 18.965 29.468 0.00 45.85 C ATOM 991 C ASP A 2 -8.545 19.654 28.551 0.00 46.25 C ATOM 992 O ASP A 2 -8.872 19.143 27.480 0.00 46.10 O ATOM 993 CB ASP A 2 -8.202 18.649 30.811 0.00 46.66 C ATOM 994 CG ASP A 2 -7.924 17.233 31.278 0.00 47.71 C ATOM 995 OD1 ASP A 2 -7.453 16.417 30.457 0.00 48.08 O ATOM 996 OD2 ASP A 2 -8.175 16.936 32.464 0.00 48.58 O ATOM 997 N GLY A 3 -9.034 20.813 28.979 0.00 46.82 N ATOM 998 CA GLY A 3 -9.994 21.548 28.177 1.00 47.45 C ATOM 999 C GLY A 3 -9.454 21.872 26.795 1.00 49.06 C ATOM 1000 O GLY A 3 -10.209 22.009 25.831 1.00 49.69 O ATOM 1001 N MET A 4 -8.137 21.999 26.695 1.00 47.75 N ATOM 1002 CA MET A 4 -7.491 22.300 25.425 1.00 47.26 C ATOM 1003 C MET A 4 -7.503 21.073 24.516 1.00 45.42 C ATOM 1004 O MET A 4 -7.460 21.201 23.293 1.00 43.83 O ATOM 1005 CB MET A 4 -6.046 22.754 25.668 1.00 49.93 C ATOM 1006 CG MET A 4 -5.891 24.254 25.873 0.00 50.23 C ATOM 1007 SD MET A 4 -4.177 24.751 26.126 0.00 50.72 S ATOM 1008 CE MET A 4 -3.770 25.404 24.507 0.00 51.34 C ATOM 1009 N TYR A 5 -7.566 19.892 25.130 1.00 43.61 N ATOM 1010 CA TYR A 5 -7.584 18.625 24.413 1.00 40.14 C ATOM 1011 C TYR A 5 -8.887 18.515 23.630 1.00 36.78 C ATOM 1012 O TYR A 5 -8.889 18.262 22.426 1.00 35.42 O ATOM 1013 CB TYR A 5 -7.454 17.461 25.407 1.00 44.68 C ATOM 1014 CG TYR A 5 -7.486 16.093 24.754 1.00 48.23 C ATOM 1015 CD1 TYR A 5 -6.469 15.692 23.887 1.00 49.96 C ATOM 1016 CD2 TYR A 5 -8.557 15.217 24.964 1.00 48.74 C ATOM 1017 CE1 TYR A 5 -6.516 14.466 23.244 1.00 49.60 C ATOM 1018 CE2 TYR A 5 -8.613 13.980 24.320 1.00 49.10 C ATOM 1019 CZ TYR A 5 -7.590 13.614 23.464 1.00 49.63 C ATOM 1020 OH TYR A 5 -7.628 12.398 22.823 0.00 49.52 O ATOM 1021 N GLN A 6 -9.998 18.721 24.318 1.00 34.43 N ATOM 1022 CA GLN A 6 -11.306 18.661 23.680 1.00 34.53 C ATOM 1023 C GLN A 6 -11.324 19.674 22.561 1.00 30.14 C ATOM 1024 O GLN A 6 -11.936 19.470 21.513 1.00 28.46 O ATOM 1025 CB GLN A 6 -12.404 19.016 24.680 1.00 38.78 C ATOM 1026 CG GLN A 6 -13.276 17.845 25.085 1.00 44.44 C ATOM 1027 CD GLN A 6 -12.626 16.966 26.141 1.00 49.01 C ATOM 1028 OE1 GLN A 6 -13.085 15.855 26.406 1.00 55.19 O ATOM 1029 NE2 GLN A 6 -11.547 17.459 26.749 1.00 53.59 N ATOM 1030 N ARG A 7 -10.654 20.784 22.823 1.00 29.62 N ATOM 1031 CA ARG A 7 -10.550 21.881 21.881 1.00 28.97 C ATOM 1032 C ARG A 7 -9.708 21.440 20.663 1.00 26.50 C ATOM 1033 O ARG A 7 -10.046 21.734 19.508 1.00 22.94 O ATOM 1034 CB ARG A 7 -9.927 23.073 22.612 1.00 31.72 C ATOM 1035 CG ARG A 7 -9.452 24.213 21.741 1.00 37.36 C ATOM 1036 CD ARG A 7 -8.685 25.225 22.587 1.00 39.94 C ATOM 1037 NE ARG A 7 -9.589 25.987 23.442 0.00 39.52 N ATOM 1038 CZ ARG A 7 -9.334 27.206 23.905 0.00 39.74 C ATOM 1039 NH1 ARG A 7 -8.196 27.812 23.597 0.00 39.60 N ATOM 1040 NH2 ARG A 7 -10.220 27.820 24.677 0.00 40.21 N ATOM 1041 N PHE A 8 -8.621 20.725 20.922 1.00 22.20 N ATOM 1042 CA PHE A 8 -7.787 20.246 19.846 1.00 21.91 C ATOM 1043 C PHE A 8 -8.592 19.298 18.976 1.00 23.39 C ATOM 1044 O PHE A 8 -8.472 19.311 17.755 1.00 24.73 O ATOM 1045 CB PHE A 8 -6.575 19.520 20.411 1.00 21.49 C ATOM 1046 CG PHE A 8 -5.626 19.038 19.367 1.00 23.57 C ATOM 1047 CD1 PHE A 8 -4.655 19.898 18.842 1.00 23.69 C ATOM 1048 CD2 PHE A 8 -5.721 17.740 18.870 1.00 24.65 C ATOM 1049 CE1 PHE A 8 -3.795 19.476 17.832 1.00 23.78 C ATOM 1050 CE2 PHE A 8 -4.864 17.298 17.853 1.00 25.65 C ATOM 1051 CZ PHE A 8 -3.899 18.171 17.332 1.00 24.10 C ATOM 1052 N LEU A 9 -9.424 18.469 19.603 1.00 24.02 N ATOM 1053 CA LEU A 9 -10.225 17.499 18.856 1.00 22.84 C ATOM 1054 C LEU A 9 -11.254 18.154 17.953 1.00 21.38 C ATOM 1055 O LEU A 9 -11.367 17.833 16.766 1.00 22.39 O ATOM 1056 CB LEU A 9 -10.943 16.551 19.819 1.00 21.59 C ATOM 1057 CG LEU A 9 -10.068 15.696 20.728 1.00 22.16 C ATOM 1058 CD1 LEU A 9 -10.932 15.086 21.800 1.00 23.35 C ATOM 1059 CD2 LEU A 9 -9.389 14.607 19.926 1.00 22.24 C ATOM 1060 N ARG A 10 -12.004 19.080 18.529 1.00 23.31 N ATOM 1061 CA ARG A 10 -13.051 19.770 17.813 1.00 23.18 C ATOM 1062 C ARG A 10 -12.590 20.564 16.585 1.00 23.41 C ATOM 1063 O ARG A 10 -13.299 20.638 15.580 1.00 25.28 O ATOM 1064 CB ARG A 10 -13.802 20.682 18.795 1.00 27.48 C ATOM 1065 CG ARG A 10 -13.090 21.987 19.116 0.00 31.48 C ATOM 1066 CD ARG A 10 -14.014 22.944 19.855 0.00 35.94 C ATOM 1067 NE ARG A 10 -13.898 22.800 21.304 0.00 41.92 N ATOM 1068 CZ ARG A 10 -14.754 22.120 22.061 1.00 46.05 C ATOM 1069 NH1 ARG A 10 -15.800 21.514 21.512 1.00 48.73 N ATOM 1070 NH2 ARG A 10 -14.558 22.041 23.372 1.00 49.97 N ATOM 1071 N GLN A 11 -11.402 21.140 16.632 1.00 22.38 N ATOM 1072 CA GLN A 11 -10.949 21.943 15.499 1.00 27.11 C ATOM 1073 C GLN A 11 -10.107 21.237 14.452 1.00 26.08 C ATOM 1074 O GLN A 11 -10.233 21.497 13.256 1.00 25.99 O ATOM 1075 CB GLN A 11 -10.138 23.143 15.987 1.00 32.01 C ATOM 1076 CG GLN A 11 -10.603 23.769 17.279 1.00 43.27 C ATOM 1077 CD GLN A 11 -9.904 25.095 17.544 1.00 51.21 C ATOM 1078 OE1 GLN A 11 -8.747 25.123 17.993 1.00 53.87 O ATOM 1079 NE2 GLN A 11 -10.601 26.204 17.260 1.00 54.13 N ATOM 1080 N HIS A 12 -9.246 20.337 14.910 1.00 25.00 N ATOM 1081 CA HIS A 12 -8.327 19.665 14.017 1.00 23.99 C ATOM 1082 C HIS A 12 -8.423 18.165 13.833 1.00 23.99 C ATOM 1083 O HIS A 12 -7.530 17.583 13.235 1.00 25.42 O ATOM 1084 CB HIS A 12 -6.911 20.000 14.470 1.00 22.81 C ATOM 1085 CG HIS A 12 -6.707 21.450 14.753 1.00 26.20 C ATOM 1086 ND1 HIS A 12 -6.915 22.427 13.804 1.00 24.77 N ATOM 1087 CD2 HIS A 12 -6.333 22.096 15.883 1.00 25.85 C ATOM 1088 CE1 HIS A 12 -6.678 23.611 14.338 1.00 26.58 C ATOM 1089 NE2 HIS A 12 -6.323 23.435 15.597 1.00 27.15 N ATOM 1090 N VAL A 13 -9.463 17.511 14.323 1.00 23.19 N ATOM 1091 CA VAL A 13 -9.473 16.056 14.167 1.00 21.33 C ATOM 1092 C VAL A 13 -10.718 15.476 13.539 1.00 18.30 C ATOM 1093 O VAL A 13 -11.824 15.776 13.945 1.00 20.49 O ATOM 1094 CB VAL A 13 -9.206 15.346 15.528 1.00 20.65 C ATOM 1095 CG1 VAL A 13 -9.199 13.831 15.333 1.00 18.56 C ATOM 1096 CG2 VAL A 13 -7.864 15.800 16.096 1.00 15.62 C ATOM 1097 N HIS A 14 -10.518 14.666 12.508 1.00 18.81 N ATOM 1098 CA HIS A 14 -11.617 14.012 11.810 1.00 17.81 C ATOM 1099 C HIS A 14 -11.149 12.681 11.157 1.00 20.57 C ATOM 1100 O HIS A 14 -10.729 12.622 9.982 1.00 15.82 O ATOM 1101 CB HIS A 14 -12.219 14.964 10.782 1.00 16.40 C ATOM 1102 CG HIS A 14 -13.541 14.517 10.255 1.00 16.61 C ATOM 1103 ND1 HIS A 14 -14.049 14.959 9.052 1.00 16.41 N ATOM 1104 CD2 HIS A 14 -14.465 13.675 10.769 1.00 15.34 C ATOM 1105 CE1 HIS A 14 -15.233 14.410 8.853 1.00 18.64 C ATOM 1106 NE2 HIS A 14 -15.509 13.625 9.877 1.00 17.31 N ATOM 1107 N PRO A 15 -11.245 11.578 11.930 1.00 22.55 N ATOM 1108 CA PRO A 15 -10.838 10.254 11.459 1.00 24.03 C ATOM 1109 C PRO A 15 -11.872 9.631 10.523 1.00 26.53 C ATOM 1110 O PRO A 15 -12.991 10.123 10.377 1.00 24.44 O ATOM 1111 CB PRO A 15 -10.668 9.449 12.757 1.00 26.76 C ATOM 1112 CG PRO A 15 -10.957 10.427 13.891 1.00 25.03 C ATOM 1113 CD PRO A 15 -11.774 11.513 13.303 1.00 18.66 C ATOM 1114 N GLU A 16 -11.489 8.549 9.868 1.00 30.18 N ATOM 1115 CA GLU A 16 -12.411 7.872 8.978 1.00 35.46 C ATOM 1116 C GLU A 16 -12.885 8.786 7.838 1.00 37.85 C ATOM 1117 O GLU A 16 -13.947 8.569 7.243 1.00 38.76 O ATOM 1118 CB GLU A 16 -13.600 7.315 9.794 0.00 35.98 C ATOM 1119 CG GLU A 16 -14.983 7.881 9.466 0.00 37.27 C ATOM 1120 CD GLU A 16 -15.692 8.467 10.674 0.00 37.85 C ATOM 1121 OE1 GLU A 16 -16.275 7.691 11.461 0.00 38.09 O ATOM 1122 OE2 GLU A 16 -15.670 9.705 10.832 0.00 38.10 O ATOM 1123 N GLU A 17 -12.087 9.801 7.509 1.00 38.35 N ATOM 1124 CA GLU A 17 -12.461 10.696 6.412 1.00 37.71 C ATOM 1125 C GLU A 17 -11.369 10.798 5.384 1.00 36.05 C ATOM 1126 O GLU A 17 -10.213 10.524 5.665 1.00 36.46 O ATOM 1127 CB GLU A 17 -12.768 12.104 6.921 1.00 37.04 C ATOM 1128 CG GLU A 17 -14.194 12.568 6.692 1.00 34.64 C ATOM 1129 CD GLU A 17 -14.667 12.479 5.248 1.00 31.78 C ATOM 1130 OE1 GLU A 17 -13.931 12.867 4.316 1.00 32.81 O ATOM 1131 OE2 GLU A 17 -15.806 12.023 5.050 1.00 33.97 O ATOM 1132 N THR A 18 -11.751 11.195 4.181 0.00 39.77 N ATOM 1133 CA THR A 18 -10.789 11.370 3.118 1.00 42.42 C ATOM 1134 C THR A 18 -10.649 12.882 2.932 1.00 43.68 C ATOM 1135 O THR A 18 -9.589 13.382 2.520 1.00 43.75 O ATOM 1136 CB THR A 18 -11.276 10.733 1.802 0.00 41.97 C ATOM 1137 OG1 THR A 18 -12.652 11.068 1.586 0.00 42.37 O ATOM 1138 CG2 THR A 18 -11.129 9.221 1.861 0.00 42.61 C ATOM 1139 N GLY A 19 -11.727 13.600 3.259 1.00 42.63 N ATOM 1140 CA GLY A 19 -11.737 15.049 3.121 1.00 39.36 C ATOM 1141 C GLY A 19 -11.084 15.457 1.821 1.00 34.90 C ATOM 1142 O GLY A 19 -11.456 14.963 0.755 1.00 34.88 O ATOM 1143 N GLY A 20 -10.120 16.365 1.907 1.00 30.72 N ATOM 1144 CA GLY A 20 -9.405 16.792 0.718 1.00 29.58 C ATOM 1145 C GLY A 20 -10.126 17.483 -0.423 1.00 25.95 C ATOM 1146 O GLY A 20 -9.564 17.599 -1.512 1.00 32.04 O ATOM 1147 N SER A 21 -11.355 17.931 -0.206 1.00 22.77 N ATOM 1148 CA SER A 21 -12.106 18.654 -1.234 1.00 21.62 C ATOM 1149 C SER A 21 -12.609 20.030 -0.715 1.00 21.58 C ATOM 1150 O SER A 21 -12.886 20.180 0.473 1.00 22.59 O ATOM 1151 CB SER A 21 -13.282 17.809 -1.695 1.00 20.99 C ATOM 1152 OG SER A 21 -14.517 18.424 -1.389 1.00 23.56 O ATOM 1153 N ASP A 22 -12.726 21.024 -1.601 1.00 22.13 N ATOM 1154 CA ASP A 22 -13.190 22.367 -1.206 1.00 20.98 C ATOM 1155 C ASP A 22 -14.552 22.297 -0.541 1.00 19.17 C ATOM 1156 O ASP A 22 -14.779 22.915 0.498 1.00 18.66 O ATOM 1157 CB ASP A 22 -13.312 23.313 -2.412 1.00 22.43 C ATOM 1158 CG ASP A 22 -12.006 23.489 -3.173 1.00 23.40 C ATOM 1159 OD1 ASP A 22 -10.931 23.145 -2.656 1.00 23.88 O ATOM 1160 OD2 ASP A 22 -12.051 23.987 -4.309 1.00 30.02 O ATOM 1161 N ARG A 23 -15.472 21.562 -1.153 1.00 16.65 N ATOM 1162 CA ARG A 23 -16.795 21.436 -0.579 1.00 19.37 C ATOM 1163 C ARG A 23 -16.695 20.847 0.829 1.00 16.43 C ATOM 1164 O ARG A 23 -17.463 21.211 1.701 1.00 16.59 O ATOM 1165 CB ARG A 23 -17.665 20.573 -1.475 1.00 22.98 C ATOM 1166 CG ARG A 23 -18.971 20.215 -0.864 1.00 28.07 C ATOM 1167 CD ARG A 23 -20.093 20.642 -1.770 1.00 36.28 C ATOM 1168 NE ARG A 23 -21.275 21.027 -1.007 1.00 47.18 N ATOM 1169 CZ ARG A 23 -22.369 20.279 -0.914 1.00 50.59 C ATOM 1170 NH1 ARG A 23 -22.433 19.124 -1.562 0.00 50.32 N ATOM 1171 NH2 ARG A 23 -23.401 20.692 -0.199 1.00 53.07 N ATOM 1172 N TYR A 24 -15.722 19.969 1.061 1.00 17.93 N ATOM 1173 CA TYR A 24 -15.536 19.368 2.378 1.00 14.24 C ATOM 1174 C TYR A 24 -15.097 20.470 3.360 1.00 17.45 C ATOM 1175 O TYR A 24 -15.593 20.548 4.489 1.00 14.11 O ATOM 1176 CB TYR A 24 -14.486 18.247 2.300 1.00 12.87 C ATOM 1177 CG TYR A 24 -14.018 17.772 3.654 1.00 10.72 C ATOM 1178 CD1 TYR A 24 -14.823 16.956 4.447 1.00 7.33 C ATOM 1179 CD2 TYR A 24 -12.805 18.218 4.181 1.00 9.60 C ATOM 1180 CE1 TYR A 24 -14.425 16.605 5.747 1.00 8.45 C ATOM 1181 CE2 TYR A 24 -12.408 17.875 5.475 1.00 8.05 C ATOM 1182 CZ TYR A 24 -13.226 17.074 6.249 1.00 6.63 C ATOM 1183 OH TYR A 24 -12.862 16.784 7.534 1.00 8.62 O ATOM 1184 N CYS A 25 -14.169 21.319 2.916 1.00 14.86 N ATOM 1185 CA CYS A 25 -13.661 22.431 3.720 1.00 15.42 C ATOM 1186 C CYS A 25 -14.767 23.398 4.085 1.00 15.70 C ATOM 1187 O CYS A 25 -14.920 23.784 5.255 1.00 18.33 O ATOM 1188 CB CYS A 25 -12.591 23.195 2.947 1.00 13.32 C ATOM 1189 SG CYS A 25 -10.936 22.461 3.045 1.00 11.46 S ATOM 1190 N ASN A 26 -15.533 23.802 3.077 1.00 13.44 N ATOM 1191 CA ASN A 26 -16.629 24.729 3.313 1.00 14.20 C ATOM 1192 C ASN A 26 -17.583 24.202 4.388 1.00 16.52 C ATOM 1193 O ASN A 26 -17.902 24.923 5.332 1.00 18.05 O ATOM 1194 CB ASN A 26 -17.387 25.006 2.015 1.00 8.11 C ATOM 1195 CG ASN A 26 -16.564 25.790 1.021 1.00 8.90 C ATOM 1196 OD1 ASN A 26 -15.526 26.339 1.354 1.00 7.70 O ATOM 1197 ND2 ASN A 26 -17.022 25.834 -0.215 1.00 13.09 N ATOM 1198 N LEU A 27 -18.013 22.941 4.250 1.00 19.52 N ATOM 1199 CA LEU A 27 -18.945 22.272 5.200 1.00 15.88 C ATOM 1200 C LEU A 27 -18.373 22.152 6.621 1.00 14.77 C ATOM 1201 O LEU A 27 -18.985 22.599 7.578 1.00 14.72 O ATOM 1202 CB LEU A 27 -19.312 20.870 4.672 1.00 18.70 C ATOM 1203 CG LEU A 27 -20.655 20.545 3.979 1.00 18.09 C ATOM 1204 CD1 LEU A 27 -21.312 21.798 3.486 1.00 19.26 C ATOM 1205 CD2 LEU A 27 -20.430 19.566 2.835 1.00 14.61 C ATOM 1206 N MET A 28 -17.183 21.579 6.751 1.00 14.45 N ATOM 1207 CA MET A 28 -16.535 21.398 8.050 1.00 14.84 C ATOM 1208 C MET A 28 -16.125 22.675 8.830 1.00 16.04 C ATOM 1209 O MET A 28 -16.245 22.722 10.056 1.00 13.39 O ATOM 1210 CB MET A 28 -15.306 20.500 7.877 1.00 14.87 C ATOM 1211 CG MET A 28 -15.613 19.154 7.287 1.00 17.04 C ATOM 1212 SD MET A 28 -16.908 18.369 8.189 1.00 27.04 S ATOM 1213 CE MET A 28 -16.044 18.045 9.723 1.00 21.22 C ATOM 1214 N MET A 29 -15.617 23.696 8.144 1.00 15.82 N ATOM 1215 CA MET A 29 -15.222 24.923 8.849 1.00 15.50 C ATOM 1216 C MET A 29 -16.482 25.587 9.411 1.00 16.48 C ATOM 1217 O MET A 29 -16.463 26.200 10.474 1.00 15.98 O ATOM 1218 CB MET A 29 -14.509 25.873 7.885 1.00 16.64 C ATOM 1219 CG MET A 29 -13.182 25.324 7.353 1.00 12.30 C ATOM 1220 SD MET A 29 -11.883 25.215 8.601 1.00 18.42 S ATOM 1221 CE MET A 29 -11.325 26.886 8.780 1.00 22.60 C ATOM 1222 N GLN A 30 -17.582 25.446 8.674 1.00 15.43 N ATOM 1223 CA GLN A 30 -18.854 26.001 9.067 1.00 17.64 C ATOM 1224 C GLN A 30 -19.454 25.234 10.232 1.00 20.05 C ATOM 1225 O GLN A 30 -19.660 25.780 11.309 1.00 27.71 O ATOM 1226 CB GLN A 30 -19.781 25.955 7.889 1.00 17.69 C ATOM 1227 CG GLN A 30 -21.049 26.646 8.125 1.00 29.15 C ATOM 1228 CD GLN A 30 -22.075 26.283 7.093 1.00 35.08 C ATOM 1229 OE1 GLN A 30 -23.248 26.604 7.233 0.50 39.25 O ATOM 1230 NE2 GLN A 30 -21.638 25.608 6.039 0.50 38.94 N ATOM 1231 N ARG A 31 -19.722 23.960 10.027 1.00 22.19 N ATOM 1232 CA ARG A 31 -20.283 23.119 11.078 1.00 23.39 C ATOM 1233 C ARG A 31 -19.442 23.178 12.345 1.00 22.78 C ATOM 1234 O ARG A 31 -19.973 23.120 13.461 1.00 24.89 O ATOM 1235 CB ARG A 31 -20.382 21.663 10.596 1.00 21.80 C ATOM 1236 CG ARG A 31 -21.429 21.455 9.521 1.00 26.03 C ATOM 1237 CD ARG A 31 -21.525 19.995 9.076 1.00 26.07 C ATOM 1238 NE ARG A 31 -22.332 19.874 7.861 1.00 25.76 N ATOM 1239 CZ ARG A 31 -22.353 18.814 7.052 1.00 25.52 C ATOM 1240 NH1 ARG A 31 -21.611 17.748 7.308 1.00 25.50 N ATOM 1241 NH2 ARG A 31 -23.103 18.839 5.961 1.00 23.92 N ATOM 1242 N ARG A 32 -18.128 23.288 12.184 1.00 22.63 N ATOM 1243 CA ARG A 32 -17.239 23.337 13.344 1.00 23.63 C ATOM 1244 C ARG A 32 -17.095 24.733 13.954 1.00 24.81 C ATOM 1245 O ARG A 32 -16.206 24.958 14.778 1.00 25.07 O ATOM 1246 CB ARG A 32 -15.853 22.777 12.996 1.00 23.75 C ATOM 1247 CG ARG A 32 -15.593 21.395 13.566 1.00 26.39 C ATOM 1248 CD ARG A 32 -15.227 20.436 12.466 1.00 34.25 C ATOM 1249 NE ARG A 32 -15.391 19.013 12.808 1.00 36.99 N ATOM 1250 CZ ARG A 32 -14.499 18.276 13.473 1.00 32.38 C ATOM 1251 NH1 ARG A 32 -13.359 18.801 13.896 1.00 34.42 N ATOM 1252 NH2 ARG A 32 -14.720 16.988 13.670 1.00 31.07 N ATOM 1253 N LYS A 33 -17.961 25.663 13.542 1.00 24.83 N ATOM 1254 CA LYS A 33 -17.967 27.027 14.089 1.00 25.53 C ATOM 1255 C LYS A 33 -16.706 27.881 13.863 1.00 23.72 C ATOM 1256 O LYS A 33 -16.280 28.636 14.743 1.00 24.46 O ATOM 1257 CB LYS A 33 -18.261 26.963 15.595 1.00 25.14 C ATOM 1258 CG LYS A 33 -19.701 27.268 15.950 1.00 28.28 C ATOM 1259 CD LYS A 33 -20.658 26.241 15.369 1.00 28.29 C ATOM 1260 CE LYS A 33 -21.913 26.892 14.787 1.00 29.44 C ATOM 1261 NZ LYS A 33 -22.794 25.877 14.137 1.00 27.62 N ATOM 1262 N MET A 34 -16.117 27.783 12.683 1.00 19.20 N ATOM 1263 CA MET A 34 -14.935 28.558 12.411 1.00 15.20 C ATOM 1264 C MET A 34 -15.213 29.568 11.300 1.00 14.96 C ATOM 1265 O MET A 34 -14.297 30.029 10.628 1.00 15.69 O ATOM 1266 CB MET A 34 -13.810 27.608 12.036 1.00 11.59 C ATOM 1267 CG MET A 34 -12.992 27.186 13.226 1.00 18.16 C ATOM 1268 SD MET A 34 -11.942 25.738 12.995 1.00 27.85 S ATOM 1269 CE MET A 34 -13.191 24.576 12.470 1.00 23.68 C ATOM 1270 N THR A 35 -16.489 29.887 11.098 1.00 15.33 N ATOM 1271 CA THR A 35 -16.909 30.853 10.082 1.00 17.58 C ATOM 1272 C THR A 35 -18.095 31.664 10.612 1.00 17.98 C ATOM 1273 O THR A 35 -18.840 32.286 9.866 1.00 20.56 O ATOM 1274 CB THR A 35 -17.337 30.153 8.765 1.00 17.33 C ATOM 1275 OG1 THR A 35 -18.567 29.460 8.965 1.00 17.05 O ATOM 1276 CG2 THR A 35 -16.285 29.176 8.304 1.00 19.55 C ATOM 1277 N LEU A 36 -18.257 31.638 11.924 1.00 21.70 N ATOM 1278 CA LEU A 36 -19.356 32.310 12.614 1.00 21.72 C ATOM 1279 C LEU A 36 -19.395 33.820 12.422 1.00 20.54 C ATOM 1280 O LEU A 36 -20.308 34.359 11.812 1.00 23.72 O ATOM 1281 CB LEU A 36 -19.241 31.992 14.102 1.00 24.31 C ATOM 1282 CG LEU A 36 -20.463 32.011 15.004 1.00 27.03 C ATOM 1283 CD1 LEU A 36 -21.758 31.765 14.204 1.00 25.53 C ATOM 1284 CD2 LEU A 36 -20.231 30.953 16.100 1.00 29.68 C ATOM 1285 N TYR A 37 -18.388 34.491 12.967 1.00 22.46 N ATOM 1286 CA TYR A 37 -18.269 35.943 12.899 1.00 19.80 C ATOM 1287 C TYR A 37 -17.201 36.361 11.896 1.00 21.56 C ATOM 1288 O TYR A 37 -17.254 37.458 11.343 1.00 24.15 O ATOM 1289 CB TYR A 37 -17.939 36.470 14.289 1.00 14.26 C ATOM 1290 CG TYR A 37 -18.941 36.019 15.297 1.00 10.70 C ATOM 1291 CD1 TYR A 37 -20.301 36.226 15.085 1.00 9.41 C ATOM 1292 CD2 TYR A 37 -18.539 35.399 16.467 1.00 13.78 C ATOM 1293 CE1 TYR A 37 -21.238 35.831 16.019 1.00 12.91 C ATOM 1294 CE2 TYR A 37 -19.462 34.992 17.410 1.00 15.73 C ATOM 1295 CZ TYR A 37 -20.811 35.207 17.190 1.00 15.62 C ATOM 1296 OH TYR A 37 -21.727 34.787 18.137 1.00 20.97 O ATOM 1297 N HIS A 38 -16.234 35.478 11.670 1.00 21.51 N ATOM 1298 CA HIS A 38 -15.160 35.728 10.716 1.00 20.54 C ATOM 1299 C HIS A 38 -14.735 34.403 10.061 1.00 20.16 C ATOM 1300 O HIS A 38 -15.005 33.323 10.584 1.00 18.63 O ATOM 1301 CB HIS A 38 -13.965 36.342 11.427 1.00 17.49 C ATOM 1302 CG HIS A 38 -13.864 35.963 12.869 1.00 22.02 C ATOM 1303 ND1 HIS A 38 -12.809 35.228 13.368 0.00 19.62 N ATOM 1304 CD2 HIS A 38 -14.667 36.231 13.925 0.00 19.62 C ATOM 1305 CE1 HIS A 38 -12.969 35.061 14.668 0.00 19.94 C ATOM 1306 NE2 HIS A 38 -14.089 35.659 15.031 0.00 19.77 N ATOM 1307 N CYS A 39 -14.074 34.487 8.919 1.00 15.27 N ATOM 1308 CA CYS A 39 -13.612 33.285 8.248 1.00 15.11 C ATOM 1309 C CYS A 39 -12.240 32.928 8.790 1.00 15.71 C ATOM 1310 O CYS A 39 -11.313 33.718 8.668 1.00 19.21 O ATOM 1311 CB CYS A 39 -13.472 33.522 6.751 1.00 12.07 C ATOM 1312 SG CYS A 39 -14.992 33.988 5.894 1.00 15.22 S ATOM 1313 N LYS A 40 -12.093 31.764 9.411 1.00 17.96 N ATOM 1314 CA LYS A 40 -10.769 31.386 9.878 1.00 18.02 C ATOM 1315 C LYS A 40 -9.940 31.285 8.601 1.00 17.72 C ATOM 1316 O LYS A 40 -10.344 30.624 7.659 1.00 18.09 O ATOM 1317 CB LYS A 40 -10.800 30.028 10.571 1.00 18.92 C ATOM 1318 CG LYS A 40 -9.741 29.882 11.632 1.00 19.03 C ATOM 1319 CD LYS A 40 -9.149 28.512 11.633 1.00 24.26 C ATOM 1320 CE LYS A 40 -8.236 28.320 12.818 1.00 29.34 C ATOM 1321 NZ LYS A 40 -8.839 27.386 13.828 1.00 33.97 N ATOM 1322 N ARG A 41 -8.795 31.952 8.567 1.00 19.29 N ATOM 1323 CA ARG A 41 -7.934 31.959 7.385 1.00 22.52 C ATOM 1324 C ARG A 41 -7.390 30.588 6.951 1.00 22.27 C ATOM 1325 O ARG A 41 -7.350 30.267 5.756 1.00 20.74 O ATOM 1326 CB ARG A 41 -6.742 32.911 7.604 1.00 23.48 C ATOM 1327 CG ARG A 41 -5.745 32.871 6.466 0.00 29.44 C ATOM 1328 CD ARG A 41 -6.289 33.611 5.262 0.00 34.17 C ATOM 1329 NE ARG A 41 -5.700 34.936 5.193 1.00 40.15 N ATOM 1330 CZ ARG A 41 -4.637 35.239 4.458 1.00 43.44 C ATOM 1331 NH1 ARG A 41 -4.048 34.301 3.718 1.00 43.42 N ATOM 1332 NH2 ARG A 41 -4.138 36.466 4.502 1.00 42.04 N ATOM 1333 N PHE A 42 -6.935 29.803 7.921 1.00 22.67 N ATOM 1334 CA PHE A 42 -6.384 28.492 7.631 1.00 22.25 C ATOM 1335 C PHE A 42 -6.675 27.533 8.781 1.00 20.73 C ATOM 1336 O PHE A 42 -6.649 27.929 9.947 1.00 22.26 O ATOM 1337 CB PHE A 42 -4.870 28.617 7.417 1.00 25.00 C ATOM 1338 CG PHE A 42 -4.208 27.359 6.883 1.00 34.30 C ATOM 1339 CD1 PHE A 42 -4.172 27.096 5.510 1.00 35.02 C ATOM 1340 CD2 PHE A 42 -3.572 26.469 7.746 1.00 35.32 C ATOM 1341 CE1 PHE A 42 -3.509 25.972 5.009 1.00 35.88 C ATOM 1342 CE2 PHE A 42 -2.903 25.340 7.253 1.00 35.77 C ATOM 1343 CZ PHE A 42 -2.871 25.095 5.886 1.00 36.19 C ATOM 1344 N ASN A 43 -7.008 26.293 8.447 1.00 18.63 N ATOM 1345 CA ASN A 43 -7.230 25.256 9.443 1.00 18.10 C ATOM 1346 C ASN A 43 -6.836 23.916 8.841 1.00 18.15 C ATOM 1347 O ASN A 43 -7.029 23.684 7.654 1.00 19.31 O ATOM 1348 CB ASN A 43 -8.687 25.173 9.917 1.00 16.89 C ATOM 1349 CG ASN A 43 -8.837 24.274 11.156 1.00 15.90 C ATOM 1350 OD1 ASN A 43 -8.147 24.464 12.154 1.00 12.28 O ATOM 1351 ND2 ASN A 43 -9.719 23.290 11.082 1.00 7.10 N ATOM 1352 N THR A 44 -6.284 23.048 9.684 1.00 18.72 N ATOM 1353 CA THR A 44 -5.849 21.694 9.316 1.00 18.56 C ATOM 1354 C THR A 44 -6.697 20.630 10.046 1.00 16.41 C ATOM 1355 O THR A 44 -6.778 20.622 11.284 1.00 16.41 O ATOM 1356 CB THR A 44 -4.343 21.478 9.694 1.00 23.13 C ATOM 1357 OG1 THR A 44 -3.511 22.379 8.946 1.00 19.81 O ATOM 1358 CG2 THR A 44 -3.908 20.051 9.418 1.00 20.42 C ATOM 1359 N PHE A 45 -7.351 19.757 9.282 1.00 18.11 N ATOM 1360 CA PHE A 45 -8.157 18.678 9.865 1.00 15.34 C ATOM 1361 C PHE A 45 -7.344 17.391 9.750 1.00 16.75 C ATOM 1362 O PHE A 45 -6.972 16.989 8.654 1.00 15.07 O ATOM 1363 CB PHE A 45 -9.448 18.507 9.099 1.00 11.08 C ATOM 1364 CG PHE A 45 -10.434 19.568 9.366 1.00 15.68 C ATOM 1365 CD1 PHE A 45 -11.051 19.656 10.615 1.00 18.36 C ATOM 1366 CD2 PHE A 45 -10.747 20.499 8.386 1.00 13.21 C ATOM 1367 CE1 PHE A 45 -11.977 20.663 10.901 1.00 20.11 C ATOM 1368 CE2 PHE A 45 -11.671 21.518 8.649 1.00 19.54 C ATOM 1369 CZ PHE A 45 -12.292 21.600 9.919 1.00 20.93 C ATOM 1370 N ILE A 46 -7.071 16.745 10.875 1.00 18.11 N ATOM 1371 CA ILE A 46 -6.292 15.514 10.872 1.00 17.47 C ATOM 1372 C ILE A 46 -7.172 14.262 10.735 1.00 18.96 C ATOM 1373 O ILE A 46 -8.057 13.989 11.557 1.00 19.22 O ATOM 1374 CB ILE A 46 -5.412 15.421 12.139 1.00 15.97 C ATOM 1375 CG1 ILE A 46 -4.473 16.625 12.211 1.00 14.71 C ATOM 1376 CG2 ILE A 46 -4.579 14.153 12.111 1.00 16.38 C ATOM 1377 CD1 ILE A 46 -3.959 16.915 13.622 1.00 15.80 C ATOM 1378 N HIS A 47 -6.909 13.507 9.673 1.00 19.30 N ATOM 1379 CA HIS A 47 -7.653 12.297 9.377 1.00 18.79 C ATOM 1380 C HIS A 47 -6.960 11.025 9.872 1.00 20.89 C ATOM 1381 O HIS A 47 -6.579 10.166 9.074 1.00 21.42 O ATOM 1382 CB HIS A 47 -7.877 12.232 7.887 1.00 16.13 C ATOM 1383 CG HIS A 47 -8.604 13.423 7.347 1.00 16.98 C ATOM 1384 ND1 HIS A 47 -9.745 13.920 7.933 1.00 13.83 N ATOM 1385 CD2 HIS A 47 -8.409 14.154 6.223 1.00 16.27 C ATOM 1386 CE1 HIS A 47 -10.227 14.902 7.192 1.00 15.93 C ATOM 1387 NE2 HIS A 47 -9.433 15.063 6.147 1.00 14.56 N ATOM 1388 N GLU A 48 -6.796 10.929 11.193 1.00 16.31 N ATOM 1389 CA GLU A 48 -6.174 9.789 11.833 1.00 17.44 C ATOM 1390 C GLU A 48 -6.960 9.490 13.090 1.00 20.66 C ATOM 1391 O GLU A 48 -7.818 10.282 13.517 1.00 19.74 O ATOM 1392 CB GLU A 48 -4.728 10.079 12.244 1.00 14.59 C ATOM 1393 CG GLU A 48 -3.805 10.510 11.125 1.00 17.17 C ATOM 1394 CD GLU A 48 -3.432 9.384 10.170 1.00 21.65 C ATOM 1395 OE1 GLU A 48 -3.974 8.250 10.298 1.00 20.62 O ATOM 1396 OE2 GLU A 48 -2.586 9.639 9.280 1.00 21.37 O ATOM 1397 N ASP A 49 -6.638 8.349 13.689 1.00 23.24 N ATOM 1398 CA ASP A 49 -7.278 7.915 14.925 1.00 23.93 C ATOM 1399 C ASP A 49 -6.740 8.746 16.081 1.00 23.12 C ATOM 1400 O ASP A 49 -5.538 9.052 16.152 1.00 21.85 O ATOM 1401 CB ASP A 49 -6.980 6.435 15.229 1.00 28.10 C ATOM 1402 CG ASP A 49 -7.473 5.502 14.159 0.50 28.16 C ATOM 1403 OD1 ASP A 49 -8.655 5.614 13.774 0.50 30.64 O ATOM 1404 OD2 ASP A 49 -6.673 4.653 13.710 0.50 29.53 O ATOM 1405 N ILE A 50 -7.641 9.097 16.985 1.00 20.19 N ATOM 1406 CA ILE A 50 -7.272 9.853 18.156 1.00 23.09 C ATOM 1407 C ILE A 50 -6.060 9.180 18.768 1.00 21.96 C ATOM 1408 O ILE A 50 -5.056 9.827 19.084 1.00 22.20 O ATOM 1409 CB ILE A 50 -8.415 9.841 19.197 1.00 29.07 C ATOM 1410 CG1 ILE A 50 -9.734 10.303 18.537 1.00 34.05 C ATOM 1411 CG2 ILE A 50 -8.044 10.716 20.386 1.00 27.72 C ATOM 1412 CD1 ILE A 50 -10.462 9.210 17.709 1.00 36.86 C ATOM 1413 N TRP A 51 -6.170 7.866 18.945 1.00 22.46 N ATOM 1414 CA TRP A 51 -5.095 7.054 19.519 1.00 20.08 C ATOM 1415 C TRP A 51 -3.777 7.278 18.766 1.00 17.77 C ATOM 1416 O TRP A 51 -2.727 7.480 19.374 1.00 13.78 O ATOM 1417 CB TRP A 51 -5.482 5.557 19.458 1.00 19.09 C ATOM 1418 CG TRP A 51 -4.425 4.635 20.056 1.00 18.80 C ATOM 1419 CD1 TRP A 51 -3.626 3.740 19.377 1.00 21.22 C ATOM 1420 CD2 TRP A 51 -3.985 4.609 21.423 1.00 19.64 C ATOM 1421 NE1 TRP A 51 -2.711 3.160 20.251 1.00 18.18 N ATOM 1422 CE2 TRP A 51 -2.907 3.678 21.506 1.00 19.87 C ATOM 1423 CE3 TRP A 51 -4.392 5.271 22.600 1.00 19.11 C ATOM 1424 CZ2 TRP A 51 -2.248 3.403 22.707 1.00 20.30 C ATOM 1425 CZ3 TRP A 51 -3.728 5.003 23.788 1.00 21.76 C ATOM 1426 CH2 TRP A 51 -2.660 4.066 23.831 1.00 19.12 C ATOM 1427 N ASN A 52 -3.840 7.231 17.438 1.00 16.53 N ATOM 1428 CA ASN A 52 -2.655 7.418 16.602 1.00 18.45 C ATOM 1429 C ASN A 52 -2.111 8.825 16.742 1.00 18.05 C ATOM 1430 O ASN A 52 -0.892 9.038 16.721 1.00 20.45 O ATOM 1431 CB ASN A 52 -2.991 7.101 15.139 1.00 18.53 C ATOM 1432 CG ASN A 52 -3.233 5.634 14.928 1.00 17.33 C ATOM 1433 OD1 ASN A 52 -2.782 4.814 15.725 1.00 23.62 O ATOM 1434 ND2 ASN A 52 -3.952 5.284 13.877 1.00 16.85 N ATOM 1435 N ILE A 53 -3.007 9.788 16.912 1.00 18.97 N ATOM 1436 CA ILE A 53 -2.573 11.173 17.084 1.00 19.83 C ATOM 1437 C ILE A 53 -1.906 11.434 18.436 1.00 20.39 C ATOM 1438 O ILE A 53 -1.001 12.253 18.513 1.00 21.55 O ATOM 1439 CB ILE A 53 -3.747 12.154 16.912 1.00 17.82 C ATOM 1440 CG1 ILE A 53 -4.247 12.110 15.468 1.00 11.46 C ATOM 1441 CG2 ILE A 53 -3.298 13.555 17.275 1.00 16.75 C ATOM 1442 CD1 ILE A 53 -5.623 12.652 15.271 1.00 16.77 C ATOM 1443 N ARG A 54 -2.335 10.748 19.495 1.00 23.34 N ATOM 1444 CA ARG A 54 -1.719 10.955 20.805 1.00 25.96 C ATOM 1445 C ARG A 54 -0.354 10.294 20.881 1.00 26.85 C ATOM 1446 O ARG A 54 0.512 10.746 21.629 1.00 28.39 O ATOM 1447 CB ARG A 54 -2.588 10.399 21.937 1.00 32.47 C ATOM 1448 CG ARG A 54 -1.897 10.473 23.401 1.00 39.88 C ATOM 1449 CD ARG A 54 -2.500 9.334 24.360 1.00 47.12 C ATOM 1450 NE ARG A 54 -3.793 9.343 23.820 1.00 51.97 N ATOM 1451 CZ ARG A 54 -4.902 9.709 24.482 1.00 50.71 C ATOM 1452 NH1 ARG A 54 -5.019 10.066 25.749 0.00 50.07 N ATOM 1453 NH2 ARG A 54 -5.798 10.228 23.744 0.00 49.96 N ATOM 1454 N SER A 55 -0.151 9.226 20.111 1.00 24.74 N ATOM 1455 CA SER A 55 1.134 8.542 20.150 1.00 23.66 C ATOM 1456 C SER A 55 2.271 9.440 19.658 1.00 23.71 C ATOM 1457 O SER A 55 3.435 9.232 20.022 1.00 21.05 O ATOM 1458 CB SER A 55 1.071 7.212 19.371 1.00 20.03 C ATOM 1459 OG SER A 55 1.554 7.328 18.047 0.00 22.31 O ATOM 1460 N ILE A 56 1.930 10.446 18.853 1.00 23.16 N ATOM 1461 CA ILE A 56 2.922 11.395 18.341 1.00 23.80 C ATOM 1462 C ILE A 56 3.630 12.069 19.509 1.00 25.17 C ATOM 1463 O ILE A 56 4.827 12.343 19.427 1.00 26.08 O ATOM 1464 CB ILE A 56 2.271 12.503 17.451 1.00 21.72 C ATOM 1465 CG1 ILE A 56 1.967 11.942 16.064 1.00 22.78 C ATOM 1466 CG2 ILE A 56 3.209 13.672 17.295 1.00 21.56 C ATOM 1467 CD1 ILE A 56 1.179 12.865 15.196 1.00 21.10 C ATOM 1468 N CYS A 57 2.894 12.312 20.595 1.00 25.62 N ATOM 1469 CA CYS A 57 3.437 12.947 21.797 1.00 26.83 C ATOM 1470 C CYS A 57 4.495 12.078 22.449 1.00 28.69 C ATOM 1471 O CYS A 57 5.234 12.520 23.322 1.00 28.83 O ATOM 1472 CB CYS A 57 2.327 13.197 22.835 1.00 24.15 C ATOM 1473 SG CYS A 57 0.963 14.322 22.354 1.00 26.53 S ATOM 1474 N SER A 58 4.551 10.826 22.025 1.00 34.83 N ATOM 1475 CA SER A 58 5.500 9.880 22.592 1.00 37.40 C ATOM 1476 C SER A 58 6.826 9.894 21.848 1.00 36.20 C ATOM 1477 O SER A 58 7.716 9.105 22.152 1.00 35.77 O ATOM 1478 CB SER A 58 4.908 8.473 22.574 1.00 40.23 C ATOM 1479 OG SER A 58 5.396 7.711 21.493 1.00 46.01 O ATOM 1480 N THR A 59 6.947 10.808 20.890 1.00 34.91 N ATOM 1481 CA THR A 59 8.153 10.947 20.094 1.00 35.97 C ATOM 1482 C THR A 59 9.128 12.031 20.617 1.00 38.33 C ATOM 1483 O THR A 59 8.792 12.808 21.521 1.00 36.14 O ATOM 1484 CB THR A 59 7.790 11.259 18.636 1.00 32.84 C ATOM 1485 OG1 THR A 59 7.272 12.588 18.555 1.00 34.97 O ATOM 1486 CG2 THR A 59 6.737 10.292 18.125 1.00 33.28 C ATOM 1487 N THR A 60 10.330 12.068 20.033 1.00 41.37 N ATOM 1488 CA THR A 60 11.385 13.015 20.411 1.00 42.92 C ATOM 1489 C THR A 60 10.897 14.456 20.521 1.00 44.88 C ATOM 1490 O THR A 60 10.285 14.984 19.590 1.00 43.16 O ATOM 1491 CB THR A 60 12.552 12.970 19.406 0.00 42.83 C ATOM 1492 OG1 THR A 60 13.102 11.647 19.367 0.00 42.58 O ATOM 1493 CG2 THR A 60 13.640 13.953 19.813 0.00 42.65 C ATOM 1494 N ASN A 61 11.200 15.082 21.663 1.00 47.34 N ATOM 1495 CA ASN A 61 10.792 16.462 21.975 1.00 48.98 C ATOM 1496 C ASN A 61 11.457 17.531 21.125 1.00 46.91 C ATOM 1497 O ASN A 61 12.686 17.559 20.996 1.00 47.13 O ATOM 1498 CB ASN A 61 11.069 16.780 23.455 1.00 53.26 C ATOM 1499 CG ASN A 61 10.066 16.127 24.398 1.00 56.84 C ATOM 1500 OD1 ASN A 61 10.342 15.073 24.980 1.00 61.57 O ATOM 1501 ND2 ASN A 61 8.899 16.749 24.553 1.00 55.83 N ATOM 1502 N ILE A 62 10.644 18.423 20.566 1.00 43.72 N ATOM 1503 CA ILE A 62 11.166 19.503 19.740 1.00 41.48 C ATOM 1504 C ILE A 62 10.551 20.833 20.144 1.00 41.62 C ATOM 1505 O ILE A 62 9.442 20.878 20.679 1.00 41.85 O ATOM 1506 CB ILE A 62 10.941 19.231 18.208 1.00 39.37 C ATOM 1507 CG1 ILE A 62 9.483 19.463 17.798 1.00 36.14 C ATOM 1508 CG2 ILE A 62 11.323 17.797 17.886 1.00 37.25 C ATOM 1509 CD1 ILE A 62 9.236 19.261 16.302 1.00 27.28 C ATOM 1510 N GLN A 63 11.291 21.911 19.894 1.00 42.02 N ATOM 1511 CA GLN A 63 10.864 23.253 20.246 1.00 41.07 C ATOM 1512 C GLN A 63 9.811 23.791 19.311 1.00 41.76 C ATOM 1513 O GLN A 63 9.908 23.633 18.094 1.00 43.71 O ATOM 1514 CB GLN A 63 12.068 24.191 20.250 1.00 43.25 C ATOM 1515 CG GLN A 63 12.020 25.308 19.226 0.00 47.13 C ATOM 1516 CD GLN A 63 13.243 26.187 19.293 1.00 50.77 C ATOM 1517 OE1 GLN A 63 13.214 27.348 18.874 1.00 53.52 O ATOM 1518 NE2 GLN A 63 14.338 25.638 19.825 1.00 51.25 N ATOM 1519 N CYS A 64 8.810 24.444 19.890 1.00 42.42 N ATOM 1520 CA CYS A 64 7.732 25.034 19.115 1.00 44.37 C ATOM 1521 C CYS A 64 8.076 26.429 18.600 1.00 46.84 C ATOM 1522 O CYS A 64 9.224 26.894 18.694 1.00 46.57 O ATOM 1523 CB CYS A 64 6.475 25.130 19.962 1.00 43.15 C ATOM 1524 SG CYS A 64 6.142 23.611 20.894 1.00 44.91 S ATOM 1525 N LYS A 65 7.048 27.087 18.067 1.00 47.35 N ATOM 1526 CA LYS A 65 7.158 28.428 17.512 1.00 46.47 C ATOM 1527 C LYS A 65 7.290 29.466 18.611 0.00 47.49 C ATOM 1528 O LYS A 65 7.611 30.626 18.348 0.00 47.30 O ATOM 1529 CB LYS A 65 5.926 28.733 16.659 1.00 45.72 C ATOM 1530 CG LYS A 65 6.081 28.384 15.171 1.00 43.39 C ATOM 1531 CD LYS A 65 4.766 28.556 14.419 0.00 42.33 C ATOM 1532 CE LYS A 65 4.633 27.545 13.288 0.00 41.41 C ATOM 1533 NZ LYS A 65 5.957 27.088 12.780 0.00 40.97 N ATOM 1534 N ASN A 66 7.040 29.044 19.846 0.00 48.09 N ATOM 1535 CA ASN A 66 7.134 29.944 20.985 1.00 49.55 C ATOM 1536 C ASN A 66 8.406 29.733 21.793 1.00 49.84 C ATOM 1537 O ASN A 66 8.684 30.493 22.715 1.00 53.49 O ATOM 1538 CB ASN A 66 5.916 29.791 21.897 0.00 48.54 C ATOM 1539 CG ASN A 66 5.188 28.485 21.682 0.00 48.02 C ATOM 1540 OD1 ASN A 66 5.804 27.423 21.616 0.00 47.74 O ATOM 1541 ND2 ASN A 66 3.867 28.555 21.572 0.00 47.72 N ATOM 1542 N GLY A 67 9.179 28.708 21.452 1.00 49.49 N ATOM 1543 CA GLY A 67 10.420 28.462 22.169 1.00 50.26 C ATOM 1544 C GLY A 67 10.374 27.254 23.085 1.00 51.89 C ATOM 1545 O GLY A 67 11.410 26.674 23.444 1.00 51.16 O ATOM 1546 N LYS A 68 9.160 26.875 23.469 1.00 52.07 N ATOM 1547 CA LYS A 68 8.954 25.729 24.338 1.00 50.28 C ATOM 1548 C LYS A 68 9.396 24.459 23.618 1.00 50.86 C ATOM 1549 O LYS A 68 9.501 24.430 22.386 1.00 51.82 O ATOM 1550 CB LYS A 68 7.479 25.634 24.702 1.00 50.61 C ATOM 1551 CG LYS A 68 6.808 26.984 24.828 1.00 48.53 C ATOM 1552 CD LYS A 68 7.159 27.636 26.158 1.00 49.89 C ATOM 1553 CE LYS A 68 6.186 27.222 27.262 1.00 49.00 C ATOM 1554 NZ LYS A 68 6.796 27.279 28.619 0.00 49.64 N ATOM 1555 N MET A 69 9.662 23.408 24.380 1.00 48.98 N ATOM 1556 CA MET A 69 10.079 22.150 23.779 1.00 47.14 C ATOM 1557 C MET A 69 9.004 21.068 23.929 1.00 43.58 C ATOM 1558 O MET A 69 9.284 19.872 23.789 1.00 43.69 O ATOM 1559 CB MET A 69 11.397 21.674 24.401 1.00 49.27 C ATOM 1560 CG MET A 69 12.503 22.715 24.369 0.00 53.13 C ATOM 1561 SD MET A 69 13.480 22.627 22.857 1.00 58.53 S ATOM 1562 CE MET A 69 14.270 21.011 23.066 0.00 57.45 C ATOM 1563 N ASN A 70 7.777 21.484 24.216 1.00 37.93 N ATOM 1564 CA ASN A 70 6.703 20.518 24.353 1.00 36.19 C ATOM 1565 C ASN A 70 6.117 20.171 22.970 1.00 34.06 C ATOM 1566 O ASN A 70 4.923 19.876 22.828 1.00 33.50 O ATOM 1567 CB ASN A 70 5.627 21.048 25.325 1.00 36.73 C ATOM 1568 CG ASN A 70 4.839 22.231 24.775 1.00 40.04 C ATOM 1569 OD1 ASN A 70 5.397 23.156 24.187 1.00 45.50 O ATOM 1570 ND2 ASN A 70 3.528 22.207 24.980 1.00 41.68 N ATOM 1571 N CYS A 71 6.978 20.190 21.952 1.00 33.02 N ATOM 1572 CA CYS A 71 6.541 19.887 20.594 1.00 32.64 C ATOM 1573 C CYS A 71 7.044 18.552 20.086 1.00 30.73 C ATOM 1574 O CYS A 71 8.139 18.108 20.432 1.00 27.55 O ATOM 1575 CB CYS A 71 6.951 20.997 19.630 1.00 35.34 C ATOM 1576 SG CYS A 71 5.674 22.268 19.440 1.00 40.68 S ATOM 1577 N HIS A 72 6.224 17.941 19.232 1.00 29.36 N ATOM 1578 CA HIS A 72 6.485 16.621 18.684 1.00 26.23 C ATOM 1579 C HIS A 72 6.095 16.595 17.213 1.00 26.31 C ATOM 1580 O HIS A 72 5.066 17.144 16.860 1.00 27.25 O ATOM 1581 CB HIS A 72 5.675 15.618 19.520 1.00 24.79 C ATOM 1582 CG HIS A 72 6.039 15.644 20.977 1.00 23.00 C ATOM 1583 ND1 HIS A 72 7.059 14.880 21.505 1.00 24.65 N ATOM 1584 CD2 HIS A 72 5.587 16.412 21.997 1.00 23.49 C ATOM 1585 CE1 HIS A 72 7.221 15.175 22.781 1.00 25.75 C ATOM 1586 NE2 HIS A 72 6.341 16.102 23.106 1.00 28.31 N ATOM 1587 N GLU A 73 6.915 15.990 16.352 1.00 26.84 N ATOM 1588 CA GLU A 73 6.611 15.964 14.915 1.00 28.67 C ATOM 1589 C GLU A 73 6.076 14.618 14.455 1.00 28.02 C ATOM 1590 O GLU A 73 6.419 13.582 15.015 1.00 26.89 O ATOM 1591 CB GLU A 73 7.859 16.337 14.095 1.00 31.99 C ATOM 1592 CG GLU A 73 8.062 15.546 12.787 1.00 37.82 C ATOM 1593 CD GLU A 73 9.546 15.420 12.405 1.00 42.89 C ATOM 1594 OE1 GLU A 73 10.223 16.448 12.205 1.00 43.97 O ATOM 1595 OE2 GLU A 73 10.051 14.290 12.308 1.00 48.98 O ATOM 1596 N GLY A 74 5.232 14.629 13.430 1.00 26.87 N ATOM 1597 CA GLY A 74 4.685 13.380 12.948 1.00 24.80 C ATOM 1598 C GLY A 74 4.160 13.533 11.554 1.00 23.47 C ATOM 1599 O GLY A 74 3.917 14.653 11.135 1.00 25.61 O ATOM 1600 N VAL A 75 3.992 12.424 10.837 1.00 17.56 N ATOM 1601 CA VAL A 75 3.483 12.468 9.472 1.00 19.34 C ATOM 1602 C VAL A 75 2.081 11.875 9.436 1.00 20.02 C ATOM 1603 O VAL A 75 1.895 10.693 9.689 1.00 26.07 O ATOM 1604 CB VAL A 75 4.385 11.685 8.505 1.00 15.63 C ATOM 1605 CG1 VAL A 75 4.063 12.067 7.080 1.00 14.36 C ATOM 1606 CG2 VAL A 75 5.826 11.989 8.791 1.00 18.12 C ATOM 1607 N VAL A 76 1.089 12.685 9.109 1.00 17.75 N ATOM 1608 CA VAL A 76 -0.263 12.186 9.122 1.00 14.45 C ATOM 1609 C VAL A 76 -0.964 12.666 7.899 1.00 12.85 C ATOM 1610 O VAL A 76 -0.497 13.560 7.220 1.00 19.34 O ATOM 1611 CB VAL A 76 -1.048 12.704 10.379 1.00 16.02 C ATOM 1612 CG1 VAL A 76 -0.600 11.963 11.631 1.00 11.25 C ATOM 1613 CG2 VAL A 76 -0.840 14.197 10.555 1.00 12.53 C ATOM 1614 N LYS A 77 -2.089 12.048 7.613 1.00 12.66 N ATOM 1615 CA LYS A 77 -2.907 12.434 6.492 1.00 14.69 C ATOM 1616 C LYS A 77 -3.780 13.603 6.981 1.00 15.74 C ATOM 1617 O LYS A 77 -4.408 13.521 8.035 1.00 13.80 O ATOM 1618 CB LYS A 77 -3.777 11.252 6.087 1.00 13.72 C ATOM 1619 CG LYS A 77 -4.768 11.552 5.013 1.00 17.51 C ATOM 1620 CD LYS A 77 -4.929 10.375 4.098 1.00 26.32 C ATOM 1621 CE LYS A 77 -3.911 10.431 2.959 1.00 33.66 C ATOM 1622 NZ LYS A 77 -3.462 9.048 2.567 1.00 39.21 N ATOM 1623 N VAL A 78 -3.810 14.690 6.215 1.00 16.86 N ATOM 1624 CA VAL A 78 -4.598 15.873 6.562 1.00 13.32 C ATOM 1625 C VAL A 78 -5.325 16.492 5.366 1.00 13.70 C ATOM 1626 O VAL A 78 -5.101 16.108 4.224 1.00 14.02 O ATOM 1627 CB VAL A 78 -3.690 17.002 7.127 1.00 9.54 C ATOM 1628 CG1 VAL A 78 -2.850 16.494 8.297 1.00 10.24 C ATOM 1629 CG2 VAL A 78 -2.799 17.550 6.011 1.00 9.37 C ATOM 1630 N THR A 79 -6.219 17.435 5.655 1.00 14.22 N ATOM 1631 CA THR A 79 -6.873 18.242 4.624 1.00 12.47 C ATOM 1632 C THR A 79 -6.576 19.668 5.145 1.00 13.58 C ATOM 1633 O THR A 79 -7.006 20.037 6.237 1.00 10.08 O ATOM 1634 CB THR A 79 -8.416 18.077 4.524 1.00 14.79 C ATOM 1635 OG1 THR A 79 -8.759 16.790 3.977 1.00 12.88 O ATOM 1636 CG2 THR A 79 -8.972 19.156 3.585 1.00 12.11 C ATOM 1637 N ASP A 80 -5.788 20.438 4.400 1.00 14.36 N ATOM 1638 CA ASP A 80 -5.480 21.810 4.795 1.00 13.74 C ATOM 1639 C ASP A 80 -6.544 22.657 4.095 1.00 11.56 C ATOM 1640 O ASP A 80 -6.766 22.514 2.891 1.00 7.19 O ATOM 1641 CB ASP A 80 -4.077 22.214 4.328 1.00 14.60 C ATOM 1642 CG ASP A 80 -2.968 21.648 5.211 1.00 17.13 C ATOM 1643 OD1 ASP A 80 -3.021 21.823 6.440 1.00 16.45 O ATOM 1644 OD2 ASP A 80 -2.025 21.030 4.672 1.00 22.54 O ATOM 1645 N CYS A 81 -7.232 23.507 4.854 1.00 12.42 N ATOM 1646 CA CYS A 81 -8.294 24.355 4.279 1.00 11.52 C ATOM 1647 C CYS A 81 -7.836 25.801 4.336 1.00 12.19 C ATOM 1648 O CYS A 81 -7.530 26.295 5.416 1.00 13.24 O ATOM 1649 CB CYS A 81 -9.571 24.215 5.092 1.00 12.64 C ATOM 1650 SG CYS A 81 -10.394 22.595 4.995 1.00 15.57 S ATOM 1651 N ARG A 82 -7.790 26.468 3.183 1.00 13.41 N ATOM 1652 CA ARG A 82 -7.338 27.868 3.076 1.00 15.03 C ATOM 1653 C ARG A 82 -8.454 28.786 2.618 1.00 16.21 C ATOM 1654 O ARG A 82 -9.161 28.466 1.660 1.00 18.02 O ATOM 1655 CB ARG A 82 -6.213 28.007 2.057 1.00 15.60 C ATOM 1656 CG ARG A 82 -4.875 27.498 2.521 1.00 25.33 C ATOM 1657 CD ARG A 82 -3.877 27.458 1.374 0.00 25.23 C ATOM 1658 NE ARG A 82 -2.634 28.146 1.709 0.00 28.05 N ATOM 1659 CZ ARG A 82 -1.424 27.710 1.373 0.00 29.03 C ATOM 1660 NH1 ARG A 82 -1.288 26.582 0.689 0.00 29.74 N ATOM 1661 NH2 ARG A 82 -0.348 28.402 1.724 0.00 29.94 N ATOM 1662 N ASP A 83 -8.595 29.934 3.285 1.00 15.37 N ATOM 1663 CA ASP A 83 -9.638 30.900 2.923 1.00 12.49 C ATOM 1664 C ASP A 83 -9.227 31.501 1.598 1.00 9.64 C ATOM 1665 O ASP A 83 -8.097 31.949 1.448 1.00 8.96 O ATOM 1666 CB ASP A 83 -9.734 31.991 4.008 1.00 12.17 C ATOM 1667 CG ASP A 83 -10.851 33.002 3.757 1.00 11.06 C ATOM 1668 OD1 ASP A 83 -11.735 32.800 2.907 1.00 5.86 O ATOM 1669 OD2 ASP A 83 -10.850 34.030 4.449 1.00 14.35 O ATOM 1670 N THR A 84 -10.110 31.468 0.616 1.00 10.50 N ATOM 1671 CA THR A 84 -9.758 32.080 -0.660 1.00 14.07 C ATOM 1672 C THR A 84 -9.845 33.605 -0.615 1.00 15.61 C ATOM 1673 O THR A 84 -9.393 34.259 -1.543 1.00 19.61 O ATOM 1674 CB THR A 84 -10.676 31.631 -1.808 1.00 15.84 C ATOM 1675 OG1 THR A 84 -11.998 32.163 -1.611 1.00 13.56 O ATOM 1676 CG2 THR A 84 -10.711 30.107 -1.904 1.00 15.87 C ATOM 1677 N GLY A 85 -10.441 34.170 0.436 1.00 17.60 N ATOM 1678 CA GLY A 85 -10.556 35.621 0.566 1.00 15.66 C ATOM 1679 C GLY A 85 -11.661 36.209 -0.280 1.00 17.70 C ATOM 1680 O GLY A 85 -11.990 37.388 -0.184 1.00 22.48 O ATOM 1681 N SER A 86 -12.257 35.365 -1.096 1.00 15.71 N ATOM 1682 CA SER A 86 -13.316 35.747 -2.016 1.00 19.34 C ATOM 1683 C SER A 86 -14.598 36.274 -1.362 1.00 20.75 C ATOM 1684 O SER A 86 -15.394 36.986 -1.997 1.00 17.30 O ATOM 1685 CB SER A 86 -13.637 34.529 -2.891 1.00 19.48 C ATOM 1686 OG SER A 86 -15.012 34.435 -3.206 1.00 27.86 O ATOM 1687 N SER A 87 -14.786 35.918 -0.093 1.00 21.93 N ATOM 1688 CA SER A 87 -15.977 36.295 0.663 1.00 23.43 C ATOM 1689 C SER A 87 -15.656 36.397 2.140 1.00 21.87 C ATOM 1690 O SER A 87 -14.618 35.918 2.595 1.00 21.49 O ATOM 1691 CB SER A 87 -17.073 35.232 0.500 1.00 26.08 C ATOM 1692 OG SER A 87 -18.033 35.563 -0.484 1.00 33.80 O ATOM 1693 N ARG A 88 -16.564 37.022 2.885 1.00 19.47 N ATOM 1694 CA ARG A 88 -16.409 37.147 4.318 1.00 16.93 C ATOM 1695 C ARG A 88 -17.600 36.392 4.917 1.00 16.40 C ATOM 1696 O ARG A 88 -18.529 36.019 4.197 1.00 11.68 O ATOM 1697 CB ARG A 88 -16.450 38.620 4.761 1.00 21.76 C ATOM 1698 CG ARG A 88 -15.532 39.582 4.009 1.00 25.94 C ATOM 1699 CD ARG A 88 -15.538 40.965 4.680 1.00 26.29 C ATOM 1700 NE ARG A 88 -16.829 41.631 4.506 1.00 25.32 N ATOM 1701 CZ ARG A 88 -17.297 42.610 5.286 1.00 27.43 C ATOM 1702 NH1 ARG A 88 -16.598 43.074 6.318 1.00 25.00 N ATOM 1703 NH2 ARG A 88 -18.489 43.124 5.042 1.00 26.21 N ATOM 1704 N ALA A 89 -17.557 36.180 6.234 1.00 18.26 N ATOM 1705 CA ALA A 89 -18.611 35.490 6.963 1.00 15.01 C ATOM 1706 C ALA A 89 -19.933 36.092 6.546 1.00 17.34 C ATOM 1707 O ALA A 89 -20.031 37.287 6.374 1.00 20.12 O ATOM 1708 CB ALA A 89 -18.400 35.670 8.396 1.00 12.89 C ATOM 1709 N PRO A 90 -20.990 35.279 6.423 1.00 20.95 N ATOM 1710 CA PRO A 90 -21.123 33.833 6.641 1.00 21.57 C ATOM 1711 C PRO A 90 -20.658 32.946 5.482 1.00 27.53 C ATOM 1712 O PRO A 90 -20.439 31.746 5.680 1.00 31.19 O ATOM 1713 CB PRO A 90 -22.611 33.664 6.859 1.00 22.90 C ATOM 1714 CG PRO A 90 -23.200 34.688 5.872 1.00 18.23 C ATOM 1715 CD PRO A 90 -22.242 35.860 5.894 1.00 14.51 C ATOM 1716 N ASN A 91 -20.529 33.527 4.280 1.00 25.49 N ATOM 1717 CA ASN A 91 -20.108 32.803 3.078 1.00 23.42 C ATOM 1718 C ASN A 91 -18.613 32.615 2.866 1.00 20.14 C ATOM 1719 O ASN A 91 -18.112 32.984 1.800 1.00 22.77 O ATOM 1720 CB ASN A 91 -20.651 33.507 1.840 1.00 29.43 C ATOM 1721 CG ASN A 91 -22.148 33.551 1.815 1.00 39.08 C ATOM 1722 OD1 ASN A 91 -22.813 32.623 2.264 1.00 48.75 O ATOM 1723 ND2 ASN A 91 -22.700 34.636 1.270 1.00 44.75 N ATOM 1724 N CYS A 92 -17.906 31.994 3.810 1.00 15.16 N ATOM 1725 CA CYS A 92 -16.508 31.805 3.566 1.00 12.48 C ATOM 1726 C CYS A 92 -16.337 30.749 2.475 1.00 13.15 C ATOM 1727 O CYS A 92 -17.105 29.792 2.454 1.00 14.41 O ATOM 1728 CB CYS A 92 -15.876 31.342 4.844 1.00 11.76 C ATOM 1729 SG CYS A 92 -16.278 32.464 6.223 1.00 15.11 S ATOM 1730 N ARG A 93 -15.372 30.917 1.565 1.00 13.12 N ATOM 1731 CA ARG A 93 -15.130 29.907 0.530 1.00 12.88 C ATOM 1732 C ARG A 93 -13.663 29.476 0.603 1.00 12.34 C ATOM 1733 O ARG A 93 -12.759 30.261 0.324 1.00 18.23 O ATOM 1734 CB ARG A 93 -15.452 30.441 -0.850 1.00 14.08 C ATOM 1735 CG ARG A 93 -16.930 30.506 -1.113 1.00 24.87 C ATOM 1736 CD ARG A 93 -17.293 29.899 -2.463 1.00 34.62 C ATOM 1737 NE ARG A 93 -18.244 28.794 -2.333 1.00 43.37 N ATOM 1738 CZ ARG A 93 -18.969 28.296 -3.334 1.00 47.95 C ATOM 1739 NH1 ARG A 93 -18.861 28.803 -4.563 1.00 51.19 N ATOM 1740 NH2 ARG A 93 -19.803 27.285 -3.103 1.00 46.47 N ATOM 1741 N TYR A 94 -13.428 28.227 0.995 1.00 13.17 N ATOM 1742 CA TYR A 94 -12.072 27.703 1.143 1.00 12.57 C ATOM 1743 C TYR A 94 -11.590 26.867 -0.022 1.00 13.44 C ATOM 1744 O TYR A 94 -12.357 26.431 -0.871 1.00 13.99 O ATOM 1745 CB TYR A 94 -11.972 26.840 2.410 1.00 9.52 C ATOM 1746 CG TYR A 94 -12.252 27.572 3.713 1.00 7.88 C ATOM 1747 CD1 TYR A 94 -13.547 27.961 4.059 1.00 8.49 C ATOM 1748 CD2 TYR A 94 -11.205 27.930 4.560 1.00 6.29 C ATOM 1749 CE1 TYR A 94 -13.792 28.703 5.212 1.00 7.45 C ATOM 1750 CE2 TYR A 94 -11.432 28.673 5.713 1.00 7.04 C ATOM 1751 CZ TYR A 94 -12.726 29.059 6.026 1.00 8.39 C ATOM 1752 OH TYR A 94 -12.934 29.835 7.141 1.00 14.60 O ATOM 1753 N ARG A 95 -10.285 26.657 -0.020 1.00 15.82 N ATOM 1754 CA ARG A 95 -9.599 25.843 -0.994 1.00 18.24 C ATOM 1755 C ARG A 95 -9.030 24.697 -0.164 1.00 17.49 C ATOM 1756 O ARG A 95 -8.364 24.926 0.847 1.00 16.43 O ATOM 1757 CB ARG A 95 -8.451 26.635 -1.622 1.00 21.29 C ATOM 1758 CG ARG A 95 -7.687 25.903 -2.703 1.00 25.08 C ATOM 1759 CD ARG A 95 -7.588 26.740 -3.974 0.00 26.02 C ATOM 1760 NE ARG A 95 -8.675 27.715 -4.128 1.00 29.74 N ATOM 1761 CZ ARG A 95 -8.664 28.698 -5.025 0.00 26.99 C ATOM 1762 NH1 ARG A 95 -7.650 28.803 -5.873 0.00 26.62 N ATOM 1763 NH2 ARG A 95 -9.681 29.547 -5.107 0.00 26.92 N ATOM 1764 N ALA A 96 -9.279 23.460 -0.572 1.00 21.07 N ATOM 1765 CA ALA A 96 -8.753 22.314 0.178 1.00 22.12 C ATOM 1766 C ALA A 96 -7.488 21.758 -0.460 1.00 23.62 C ATOM 1767 O ALA A 96 -7.411 21.631 -1.676 1.00 25.18 O ATOM 1768 CB ALA A 96 -9.797 21.233 0.252 1.00 21.97 C ATOM 1769 N ILE A 97 -6.490 21.456 0.364 1.00 25.54 N ATOM 1770 CA ILE A 97 -5.234 20.869 -0.115 1.00 25.77 C ATOM 1771 C ILE A 97 -5.032 19.572 0.687 1.00 25.01 C ATOM 1772 O ILE A 97 -4.595 19.592 1.856 1.00 23.50 O ATOM 1773 CB ILE A 97 -4.027 21.826 0.107 1.00 28.93 C ATOM 1774 CG1 ILE A 97 -4.313 23.185 -0.550 0.00 27.24 C ATOM 1775 CG2 ILE A 97 -2.756 21.188 -0.424 1.00 29.30 C ATOM 1776 CD1 ILE A 97 -3.583 23.440 -1.861 0.00 27.18 C ATOM 1777 N ALA A 98 -5.396 18.456 0.054 1.00 23.69 N ATOM 1778 CA ALA A 98 -5.304 17.117 0.653 1.00 23.51 C ATOM 1779 C ALA A 98 -3.909 16.535 0.558 1.00 21.74 C ATOM 1780 O ALA A 98 -3.303 16.563 -0.504 1.00 22.96 O ATOM 1781 CB ALA A 98 -6.266 16.201 -0.028 1.00 20.82 C ATOM 1782 N SER A 99 -3.406 15.994 1.659 1.00 19.36 N ATOM 1783 CA SER A 99 -2.068 15.430 1.630 1.00 19.38 C ATOM 1784 C SER A 99 -1.630 14.708 2.895 1.00 18.37 C ATOM 1785 O SER A 99 -2.253 14.847 3.942 1.00 18.33 O ATOM 1786 CB SER A 99 -1.047 16.545 1.318 1.00 21.53 C ATOM 1787 OG SER A 99 -0.547 17.179 2.507 1.00 22.87 O ATOM 1788 N THR A 100 -0.522 13.960 2.775 1.00 15.70 N ATOM 1789 CA THR A 100 0.071 13.261 3.905 1.00 15.63 C ATOM 1790 C THR A 100 1.361 14.040 4.065 1.00 14.37 C ATOM 1791 O THR A 100 2.264 13.964 3.206 1.00 13.43 O ATOM 1792 CB THR A 100 0.411 11.777 3.638 1.00 15.42 C ATOM 1793 OG1 THR A 100 -0.814 11.039 3.584 1.00 16.17 O ATOM 1794 CG2 THR A 100 1.302 11.238 4.760 1.00 8.18 C ATOM 1795 N ARG A 101 1.448 14.801 5.157 1.00 15.54 N ATOM 1796 CA ARG A 101 2.613 15.637 5.419 1.00 14.46 C ATOM 1797 C ARG A 101 3.022 15.591 6.857 1.00 14.73 C ATOM 1798 O ARG A 101 2.308 15.079 7.727 1.00 16.92 O ATOM 1799 CB ARG A 101 2.332 17.095 5.036 1.00 13.55 C ATOM 1800 CG ARG A 101 1.164 17.715 5.782 1.00 16.45 C ATOM 1801 CD ARG A 101 0.858 19.142 5.276 1.00 16.56 C ATOM 1802 NE ARG A 101 -0.003 19.949 6.166 1.00 16.26 N ATOM 1803 CZ ARG A 101 0.407 20.549 7.284 1.00 16.36 C ATOM 1804 NH1 ARG A 101 1.660 20.430 7.668 1.00 16.11 N ATOM 1805 NH2 ARG A 101 -0.418 21.322 7.967 1.00 12.05 N ATOM 1806 N ARG A 102 4.190 16.158 7.096 1.00 16.27 N ATOM 1807 CA ARG A 102 4.759 16.246 8.422 1.00 15.02 C ATOM 1808 C ARG A 102 4.130 17.450 9.151 1.00 18.32 C ATOM 1809 O ARG A 102 4.088 18.578 8.615 1.00 18.95 O ATOM 1810 CB ARG A 102 6.258 16.427 8.283 1.00 13.66 C ATOM 1811 CG ARG A 102 6.990 16.685 9.570 1.00 20.62 C ATOM 1812 CD ARG A 102 7.773 17.989 9.475 1.00 23.44 C ATOM 1813 NE ARG A 102 8.705 18.196 10.585 1.00 22.20 N ATOM 1814 CZ ARG A 102 8.814 19.329 11.256 1.00 21.42 C ATOM 1815 NH1 ARG A 102 8.032 20.347 10.912 1.00 23.66 N ATOM 1816 NH2 ARG A 102 9.712 19.438 12.230 1.00 20.55 N ATOM 1817 N VAL A 103 3.604 17.191 10.349 1.00 17.93 N ATOM 1818 CA VAL A 103 2.989 18.233 11.170 1.00 15.12 C ATOM 1819 C VAL A 103 3.643 18.263 12.532 1.00 15.35 C ATOM 1820 O VAL A 103 4.363 17.361 12.921 1.00 16.76 O ATOM 1821 CB VAL A 103 1.450 18.045 11.383 1.00 13.08 C ATOM 1822 CG1 VAL A 103 0.823 17.499 10.148 1.00 11.58 C ATOM 1823 CG2 VAL A 103 1.219 17.151 12.550 1.00 17.65 C ATOM 1824 N VAL A 104 3.363 19.327 13.259 1.00 16.14 N ATOM 1825 CA VAL A 104 3.907 19.546 14.591 1.00 19.52 C ATOM 1826 C VAL A 104 2.766 19.857 15.562 1.00 20.74 C ATOM 1827 O VAL A 104 1.953 20.758 15.336 1.00 21.74 O ATOM 1828 CB VAL A 104 4.934 20.707 14.594 1.00 19.60 C ATOM 1829 CG1 VAL A 104 5.735 20.653 15.860 1.00 17.58 C ATOM 1830 CG2 VAL A 104 5.832 20.549 13.403 1.00 16.79 C ATOM 1831 N ILE A 105 2.736 19.085 16.643 1.00 21.23 N ATOM 1832 CA ILE A 105 1.741 19.159 17.698 1.00 21.85 C ATOM 1833 C ILE A 105 2.452 19.506 19.015 1.00 20.95 C ATOM 1834 O ILE A 105 3.567 19.065 19.262 1.00 20.44 O ATOM 1835 CB ILE A 105 1.011 17.775 17.867 1.00 23.90 C ATOM 1836 CG1 ILE A 105 0.356 17.387 16.553 1.00 24.09 C ATOM 1837 CG2 ILE A 105 -0.062 17.868 18.921 1.00 29.05 C ATOM 1838 CD1 ILE A 105 -0.709 18.291 16.096 1.00 29.94 C ATOM 1839 N ALA A 106 1.790 20.287 19.859 1.00 22.71 N ATOM 1840 CA ALA A 106 2.320 20.669 21.156 1.00 25.05 C ATOM 1841 C ALA A 106 1.553 19.818 22.153 1.00 24.67 C ATOM 1842 O ALA A 106 0.326 19.864 22.213 1.00 22.89 O ATOM 1843 CB ALA A 106 2.076 22.169 21.403 1.00 26.07 C ATOM 1844 N CYS A 107 2.276 19.092 22.990 1.00 25.90 N ATOM 1845 CA CYS A 107 1.603 18.234 23.956 1.00 29.46 C ATOM 1846 C CYS A 107 1.865 18.711 25.361 1.00 29.72 C ATOM 1847 O CYS A 107 2.923 19.250 25.630 1.00 31.49 O ATOM 1848 CB CYS A 107 2.076 16.781 23.787 1.00 28.19 C ATOM 1849 SG CYS A 107 1.902 16.102 22.090 1.00 29.52 S ATOM 1850 N GLU A 108 0.902 18.539 26.255 1.00 29.60 N ATOM 1851 CA GLU A 108 1.126 18.954 27.629 1.00 32.74 C ATOM 1852 C GLU A 108 0.673 17.898 28.649 1.00 34.56 C ATOM 1853 O GLU A 108 -0.305 17.174 28.434 1.00 35.53 O ATOM 1854 CB GLU A 108 0.426 20.290 27.900 0.00 33.31 C ATOM 1855 CG GLU A 108 1.190 21.503 27.371 0.00 34.84 C ATOM 1856 CD GLU A 108 0.763 22.807 28.024 0.00 35.60 C ATOM 1857 OE1 GLU A 108 -0.424 23.176 27.899 0.00 36.15 O ATOM 1858 OE2 GLU A 108 1.615 23.463 28.661 0.00 36.01 O ATOM 1859 N GLY A 109 1.407 17.798 29.754 1.00 37.31 N ATOM 1860 CA GLY A 109 1.039 16.849 30.786 1.00 37.78 C ATOM 1861 C GLY A 109 1.903 15.612 30.830 1.00 38.81 C ATOM 1862 O GLY A 109 2.774 15.406 29.979 1.00 38.46 O ATOM 1863 N ASN A 110 1.642 14.793 31.845 1.00 38.44 N ATOM 1864 CA ASN A 110 2.350 13.535 32.087 1.00 38.93 C ATOM 1865 C ASN A 110 1.344 12.616 32.783 1.00 38.19 C ATOM 1866 O ASN A 110 1.229 12.640 34.002 1.00 37.04 O ATOM 1867 CB ASN A 110 3.543 13.788 33.016 1.00 38.97 C ATOM 1868 CG ASN A 110 4.647 12.757 32.849 1.00 40.34 C ATOM 1869 OD1 ASN A 110 5.104 12.491 31.738 0.00 40.03 O ATOM 1870 ND2 ASN A 110 5.086 12.176 33.961 0.00 39.87 N ATOM 1871 N PRO A 111 0.626 11.764 32.029 1.00 38.29 N ATOM 1872 CA PRO A 111 0.545 11.475 30.589 1.00 39.36 C ATOM 1873 C PRO A 111 0.354 12.670 29.660 1.00 40.05 C ATOM 1874 O PRO A 111 -0.409 13.589 29.967 1.00 41.94 O ATOM 1875 CB PRO A 111 -0.618 10.490 30.492 1.00 39.80 C ATOM 1876 CG PRO A 111 -1.406 10.717 31.735 1.00 40.83 C ATOM 1877 CD PRO A 111 -0.374 10.993 32.772 1.00 40.13 C ATOM 1878 N GLN A 112 1.031 12.626 28.509 1.00 41.55 N ATOM 1879 CA GLN A 112 1.000 13.700 27.508 1.00 40.58 C ATOM 1880 C GLN A 112 -0.127 13.691 26.501 1.00 38.44 C ATOM 1881 O GLN A 112 -0.385 12.671 25.852 1.00 39.19 O ATOM 1882 CB GLN A 112 2.300 13.718 26.738 1.00 41.63 C ATOM 1883 CG GLN A 112 3.155 14.879 27.083 1.00 47.78 C ATOM 1884 CD GLN A 112 4.610 14.567 26.861 1.00 54.40 C ATOM 1885 OE1 GLN A 112 5.085 14.544 25.715 1.00 56.59 O ATOM 1886 NE2 GLN A 112 5.338 14.314 27.955 1.00 55.82 N ATOM 1887 N VAL A 113 -0.763 14.856 26.350 1.00 37.34 N ATOM 1888 CA VAL A 113 -1.886 15.049 25.420 1.00 36.44 C ATOM 1889 C VAL A 113 -1.651 16.119 24.339 1.00 34.43 C ATOM 1890 O VAL A 113 -0.982 17.138 24.574 1.00 32.20 O ATOM 1891 CB VAL A 113 -3.169 15.481 26.162 1.00 36.25 C ATOM 1892 CG1 VAL A 113 -4.254 14.442 25.977 1.00 38.23 C ATOM 1893 CG2 VAL A 113 -2.858 15.733 27.636 1.00 39.58 C ATOM 1894 N PRO A 114 -2.228 15.907 23.141 1.00 34.18 N ATOM 1895 CA PRO A 114 -2.022 16.923 22.114 1.00 33.27 C ATOM 1896 C PRO A 114 -2.914 18.063 22.573 1.00 35.42 C ATOM 1897 O PRO A 114 -4.100 17.851 22.883 1.00 34.50 O ATOM 1898 CB PRO A 114 -2.545 16.277 20.830 1.00 32.77 C ATOM 1899 CG PRO A 114 -3.017 14.910 21.202 1.00 31.52 C ATOM 1900 CD PRO A 114 -3.115 14.826 22.681 1.00 31.02 C ATOM 1901 N VAL A 115 -2.347 19.261 22.648 1.00 35.80 N ATOM 1902 CA VAL A 115 -3.119 20.408 23.085 1.00 36.10 C ATOM 1903 C VAL A 115 -3.236 21.490 22.014 1.00 34.42 C ATOM 1904 O VAL A 115 -4.259 22.151 21.924 1.00 36.26 O ATOM 1905 CB VAL A 115 -2.514 21.027 24.391 1.00 36.86 C ATOM 1906 CG1 VAL A 115 -2.811 20.122 25.569 1.00 37.63 C ATOM 1907 CG2 VAL A 115 -1.004 21.226 24.259 1.00 35.32 C ATOM 1908 N HIS A 116 -2.214 21.643 21.178 1.00 32.92 N ATOM 1909 CA HIS A 116 -2.219 22.695 20.167 1.00 29.99 C ATOM 1910 C HIS A 116 -1.513 22.323 18.867 1.00 26.52 C ATOM 1911 O HIS A 116 -0.395 21.834 18.876 1.00 24.27 O ATOM 1912 CB HIS A 116 -1.580 23.950 20.787 1.00 31.67 C ATOM 1913 CG HIS A 116 -0.894 24.845 19.808 1.00 37.38 C ATOM 1914 ND1 HIS A 116 -1.508 25.948 19.253 1.00 41.61 N ATOM 1915 CD2 HIS A 116 0.364 24.819 19.297 1.00 40.03 C ATOM 1916 CE1 HIS A 116 -0.662 26.564 18.443 1.00 42.16 C ATOM 1917 NE2 HIS A 116 0.479 25.896 18.454 1.00 44.30 N ATOM 1918 N PHE A 117 -2.177 22.550 17.745 1.00 25.72 N ATOM 1919 CA PHE A 117 -1.569 22.257 16.449 1.00 29.36 C ATOM 1920 C PHE A 117 -0.559 23.381 16.183 1.00 30.42 C ATOM 1921 O PHE A 117 -0.941 24.543 16.008 1.00 33.52 O ATOM 1922 CB PHE A 117 -2.639 22.214 15.342 1.00 26.41 C ATOM 1923 CG PHE A 117 -2.146 21.658 14.029 1.00 27.56 C ATOM 1924 CD1 PHE A 117 -2.104 20.282 13.810 1.00 28.60 C ATOM 1925 CD2 PHE A 117 -1.744 22.507 13.003 1.00 29.89 C ATOM 1926 CE1 PHE A 117 -1.675 19.755 12.592 1.00 26.67 C ATOM 1927 CE2 PHE A 117 -1.312 21.993 11.778 1.00 30.51 C ATOM 1928 CZ PHE A 117 -1.279 20.609 11.577 1.00 27.23 C ATOM 1929 N ASP A 118 0.725 23.046 16.165 1.00 30.78 N ATOM 1930 CA ASP A 118 1.730 24.057 15.944 1.00 32.55 C ATOM 1931 C ASP A 118 1.983 24.399 14.471 1.00 36.49 C ATOM 1932 O ASP A 118 2.513 25.477 14.149 1.00 36.75 O ATOM 1933 CB ASP A 118 3.038 23.658 16.606 1.00 30.01 C ATOM 1934 CG ASP A 118 3.934 24.849 16.816 1.00 33.31 C ATOM 1935 OD1 ASP A 118 3.444 25.803 17.451 1.00 32.33 O ATOM 1936 OD2 ASP A 118 5.098 24.853 16.346 1.00 32.85 O ATOM 1937 N GLY A 119 1.608 23.487 13.577 1.00 37.39 N ATOM 1938 CA GLY A 119 1.805 23.733 12.159 1.00 37.68 C ATOM 1939 C GLY A 119 1.975 22.455 11.360 1.00 38.22 C ATOM 1940 O GLY A 119 1.600 22.427 10.166 1.00 37.01 O ATOM 1941 OXT GLY A 119 2.489 21.476 11.936 1.00 39.54 O TER 1942 GLY B 119 HETATM 1943 O HOH A 120 0.802 -4.136 17.958 1.00 24.41 O HETATM 1944 O HOH A 121 1.454 8.371 11.802 1.00 30.67 O HETATM 1945 O HOH A 122 3.174 9.506 13.458 1.00 31.69 O HETATM 1946 O HOH A 123 -8.797 5.154 19.006 1.00 31.87 O HETATM 1947 O HOH A 124 11.083 -1.556 30.252 1.00 19.98 O HETATM 1948 O HOH A 125 21.219 1.304 14.996 1.00 62.71 O HETATM 1949 O HOH A 126 16.404 1.326 7.582 1.00 49.05 O HETATM 1950 O HOH A 127 -0.633 7.322 -0.929 1.00 51.79 O HETATM 1951 O HOH A 128 14.890 9.486 0.829 1.00 30.02 O HETATM 1952 O HOH A 129 -0.060 0.030 23.804 1.00 24.31 O HETATM 1953 O HOH A 130 14.404 8.796 3.542 1.00 33.30 O HETATM 1954 O HOH A 131 17.211 7.851 4.023 1.00 52.62 O HETATM 1955 O HOH A 132 9.242 -5.121 -4.742 1.00 29.35 O HETATM 1956 O HOH A 133 9.556 -2.652 -8.380 1.00 28.71 O HETATM 1957 O HOH A 134 16.454 6.980 -0.009 1.00 32.77 O HETATM 1958 O HOH A 135 13.080 -9.432 9.803 1.00 24.41 O HETATM 1959 O HOH A 136 17.313 -3.874 25.489 1.00 19.79 O HETATM 1960 O HOH A 137 -3.123 -6.600 16.843 1.00 57.13 O HETATM 1961 O HOH A 138 -2.097 -10.399 4.376 1.00 53.56 O HETATM 1962 O HOH A 139 0.362 -8.854 6.860 1.00 31.53 O HETATM 1963 O HOH A 140 13.596 10.447 8.499 1.00 27.24 O HETATM 1964 O HOH A 141 16.981 15.911 -0.164 1.00 27.57 O HETATM 1965 O HOH A 142 -7.026 3.100 17.570 1.00 69.65 O HETATM 1966 O HOH A 143 9.839 4.906 -4.651 1.00 17.27 O HETATM 1967 O HOH A 144 6.516 -12.571 6.222 1.00 29.49 O HETATM 1968 O HOH A 145 23.517 -8.785 20.430 1.00 55.42 O HETATM 1969 O HOH A 146 9.572 -8.071 -7.506 1.00 55.72 O HETATM 1970 O HOH A 147 21.950 6.428 30.162 1.00 50.17 O HETATM 1971 O HOH A 148 -1.558 7.073 11.907 1.00 22.27 O HETATM 1972 O HOH A 149 12.054 0.532 32.629 1.00 45.58 O HETATM 1973 O HOH A 150 18.420 -7.995 -0.977 1.00 25.55 O HETATM 1974 O HOH A 151 1.769 -8.237 24.915 1.00 26.24 O HETATM 1975 O HOH A 152 4.666 -8.453 30.008 1.00 26.34 O HETATM 1976 O HOH A 153 6.262 -5.787 29.654 1.00 15.20 O HETATM 1977 O HOH A 154 21.735 5.630 26.813 1.00 36.02 O HETATM 1978 O HOH A 155 19.424 5.338 27.663 1.00 25.74 O HETATM 1979 O HOH A 156 0.173 -9.642 11.399 1.00 41.38 O HETATM 1980 O HOH A 157 8.053 -13.962 3.500 1.00 24.66 O HETATM 1981 O HOH A 158 10.451 6.424 -7.175 1.00 46.62 O HETATM 1982 O HOH A 159 6.495 4.417 23.204 1.00 34.39 O HETATM 1983 O HOH A 160 17.611 2.664 29.046 1.00 18.02 O HETATM 1984 O HOH A 161 -4.822 2.439 16.292 1.00 56.76 O HETATM 1985 O HOH A 162 11.949 -5.122 -12.539 1.00 46.41 O HETATM 1986 O HOH A 163 15.091 3.070 8.698 1.00 21.62 O HETATM 1987 O HOH A 164 19.198 2.175 9.946 1.00 28.93 O HETATM 1988 O HOH A 165 22.426 -4.302 8.781 1.00 58.14 O HETATM 1989 O HOH A 166 23.280 3.857 25.913 1.00 22.60 O HETATM 1990 O HOH A 167 2.119 5.948 -0.435 1.00 27.40 O HETATM 1991 O HOH A 168 2.142 3.168 18.026 1.00 22.20 O HETATM 1992 O HOH A 169 15.370 3.325 12.249 1.00 45.12 O HETATM 1993 O HOH A 170 23.731 0.864 19.701 1.00 35.70 O HETATM 1994 O HOH A 171 13.836 11.533 5.025 1.00 29.72 O HETATM 1995 O HOH A 172 18.527 14.159 0.664 1.00 37.16 O HETATM 1996 O HOH A 173 20.972 -1.370 13.678 1.00 39.26 O HETATM 1997 O HOH A 174 10.168 -14.716 15.937 1.00 34.32 O HETATM 1998 O HOH A 175 12.772 -13.524 16.943 1.00 34.03 O HETATM 1999 O HOH A 176 -2.139 -5.642 20.342 1.00 34.59 O HETATM 2000 O HOH A 177 0.658 -2.979 3.722 1.00 49.39 O HETATM 2001 O HOH A 178 -2.813 -4.518 9.531 1.00 42.49 O HETATM 2002 O HOH A 179 19.677 -3.987 25.951 1.00 26.38 O HETATM 2003 O HOH A 180 7.281 11.904 5.325 1.00 23.31 O HETATM 2004 O HOH A 181 11.243 -6.661 31.012 1.00 38.90 O HETATM 2005 O HOH A 182 8.660 -5.935 31.077 1.00 41.33 O HETATM 2006 O HOH A 183 19.435 -10.490 15.093 1.00 40.62 O HETATM 2007 O HOH A 184 26.550 3.893 25.596 1.00 36.26 O HETATM 2008 O HOH A 185 4.482 -12.364 2.982 1.00 34.22 O HETATM 2009 O HOH A 186 7.563 -1.546 32.217 1.00 35.53 O HETATM 2010 O HOH A 187 7.654 7.971 14.123 1.00 38.32 O HETATM 2011 O HOH A 188 12.344 16.247 -4.354 1.00 38.64 O HETATM 2012 O HOH A 189 18.057 -8.647 8.184 1.00 42.65 O HETATM 2013 O HOH A 190 7.727 11.455 12.530 1.00 46.21 O HETATM 2014 O HOH A 191 22.051 1.948 18.330 1.00 39.38 O HETATM 2015 O HOH A 192 -2.310 5.830 0.140 1.00 50.43 O HETATM 2016 O HOH A 193 2.644 -12.845 1.030 1.00 47.22 O HETATM 2017 O HOH B 120 -14.930 20.557 -4.222 1.00 29.39 O HETATM 2018 O HOH B 121 -4.786 24.359 17.614 1.00 41.79 O HETATM 2019 O HOH B 122 -4.382 24.508 11.364 1.00 29.63 O HETATM 2020 O HOH B 123 -16.746 17.165 -3.611 1.00 29.12 O HETATM 2021 O HOH B 124 -5.944 11.493 0.506 1.00 52.87 O HETATM 2022 O HOH B 125 -19.245 29.019 1.217 1.00 32.18 O HETATM 2023 O HOH B 126 -19.582 28.533 11.780 1.00 12.68 O HETATM 2024 O HOH B 127 -21.610 31.586 10.050 1.00 65.88 O HETATM 2025 O HOH B 128 -12.681 36.268 3.868 1.00 11.95 O HETATM 2026 O HOH B 129 -5.964 31.955 2.518 1.00 30.30 O HETATM 2027 O HOH B 130 -12.965 37.793 5.945 1.00 14.98 O HETATM 2028 O HOH B 131 -15.070 37.502 7.418 1.00 28.34 O HETATM 2029 O HOH B 132 -11.504 37.655 8.260 1.00 52.89 O HETATM 2030 O HOH B 133 -5.293 6.193 11.885 1.00 31.56 O HETATM 2031 O HOH B 134 -8.277 7.828 7.286 1.00 43.97 O HETATM 2032 O HOH B 135 -6.526 13.632 2.293 1.00 34.96 O HETATM 2033 O HOH B 136 0.043 22.831 3.470 1.00 36.49 O HETATM 2034 O HOH B 137 -13.987 33.332 1.641 1.00 8.57 O HETATM 2035 O HOH B 138 -21.256 37.326 2.944 1.00 37.72 O HETATM 2036 O HOH B 139 -18.184 27.991 4.947 1.00 32.23 O HETATM 2037 O HOH B 140 -13.498 5.075 12.172 1.00 39.97 O HETATM 2038 O HOH B 141 -15.976 33.638 14.401 1.00 46.69 O HETATM 2039 O HOH B 142 5.013 14.296 3.732 1.00 32.15 O HETATM 2040 O HOH B 143 -2.142 19.290 2.886 1.00 26.16 O HETATM 2041 O HOH B 144 -9.946 34.626 6.619 1.00 23.70 O HETATM 2042 O HOH B 145 -7.842 33.402 11.103 1.00 32.72 O HETATM 2043 O HOH B 146 -6.199 3.760 10.914 1.00 30.06 O HETATM 2044 O HOH B 147 6.907 14.677 5.737 1.00 38.33 O HETATM 2045 O HOH B 148 0.797 13.168 0.131 1.00 25.96 O HETATM 2046 O HOH B 149 -13.102 31.627 13.427 1.00 33.04 O HETATM 2047 O HOH B 150 -14.513 27.059 -2.014 1.00 23.67 O HETATM 2048 O HOH B 151 -19.116 24.542 -0.882 1.00 27.68 O HETATM 2049 O HOH B 152 -20.660 26.441 0.045 1.00 38.75 O HETATM 2050 O HOH B 153 10.081 22.328 13.170 1.00 38.45 O HETATM 2051 O HOH B 154 7.314 24.115 15.252 1.00 36.08 O HETATM 2052 O HOH B 155 5.707 23.918 12.049 1.00 42.69 O HETATM 2053 O HOH B 156 -3.420 13.753 30.576 1.00 32.61 O HETATM 2054 O HOH B 157 -2.588 8.556 29.060 1.00 44.89 O HETATM 2055 O HOH B 158 -4.926 26.596 13.713 1.00 36.74 O HETATM 2056 O HOH B 159 8.916 22.136 7.320 1.00 40.87 O HETATM 2057 O HOH B 160 2.459 8.631 23.336 1.00 34.38 O HETATM 2058 O HOH B 161 -14.083 29.019 -4.502 1.00 46.85 O HETATM 2059 O HOH B 162 -13.222 31.909 -4.785 1.00 49.43 O CONECT 218 679 CONECT 341 758 CONECT 502 878 CONECT 553 605 CONECT 605 553 CONECT 679 218 CONECT 758 341 CONECT 878 502 CONECT 1189 1650 CONECT 1312 1729 CONECT 1473 1849 CONECT 1524 1576 CONECT 1576 1524 CONECT 1650 1189 CONECT 1729 1312 CONECT 1849 1473 MASTER 311 0 0 6 8 0 0 9 2057 2 16 20 END