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*** lyz ***elNémo ID: 2312281151233016830Job options:ID = 2312281151233016830 JOBID = lyz USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER lyz HEADER HYDROLASE 01-FEB-75 6LYZ TITLE REAL-SPACE REFINEMENT OF THE STRUCTURE OF HEN EGG-WHITE LYSOZYME COMPND MOL_ID: 1; COMPND 2 MOLECULE: HEN EGG WHITE LYSOZYME; COMPND 3 CHAIN: A; COMPND 4 EC: 3.2.1.17; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS KEYWDS HYDROLASE (O-GLYCOSYL), HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR R.DIAMOND,D.C.PHILLIPS,C.C.F.BLAKE,A.C.T.NORTH REVDAT 11 29-NOV-17 6LYZ 1 HELIX REVDAT 10 24-FEB-09 6LYZ 1 VERSN REVDAT 9 16-OCT-87 6LYZ 1 FTNOTE TURN REVDAT 8 25-APR-86 6LYZ 3 SOURCE SEQRES ATOM REVDAT 7 07-FEB-84 6LYZ 1 FTNOTE REVDAT 6 30-SEP-83 6LYZ 1 REVDAT REVDAT 5 01-MAR-82 6LYZ 1 REMARK REVDAT 4 20-APR-81 6LYZ 1 SHEET REVDAT 3 01-NOV-77 6LYZ 1 COMPND SOURCE AUTHOR JRNL REVDAT 3 2 1 REMARK FORMUL SSBOND REVDAT 2 16-MAY-77 6LYZ 3 SEQRES ATOM REVDAT 1 12-APR-77 6LYZ 0 JRNL AUTH R.DIAMOND JRNL TITL REAL-SPACE REFINEMENT OF THE STRUCTURE OF HEN EGG-WHITE JRNL TITL 2 LYSOZYME. JRNL REF J.MOL.BIOL. V. 82 371 1974 JRNL REFN ISSN 0022-2836 JRNL PMID 4856347 JRNL DOI 10.1016/0022-2836(74)90598-1 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH D.C.PHILLIPS REMARK 1 TITL CRYSTALLOGRAPHIC STUDIES OF LYSOZYME AND ITS INTERACTIONS REMARK 1 TITL 2 WITH INHIBITORS AND SUBSTRATES REMARK 1 EDIT E.F.OSSERMAN, R.F.CANFIELD, S.BEYCHOK REMARK 1 REF LYSOZYME 9 1974 REMARK 1 PUBL ACADEMIC PRESS,NEW YORK REMARK 1 REFN REMARK 1 REFERENCE 2 REMARK 1 AUTH T.IMOTO,L.N.JOHNSON,A.C.T.NORTH,D.C.PHILLIPS,J.A.RUPLEY REMARK 1 TITL VERTEBRATE LYSOZYMES REMARK 1 EDIT P.BOYER REMARK 1 REF THE ENZYMES,THIRD EDITION V. 7 665 1972 REMARK 1 PUBL ACADEMIC PRESS,NEW YORK REMARK 1 REFN REMARK 1 REFERENCE 3 REMARK 1 AUTH C.R.BEDDELL,C.C.F.BLAKE,S.J.OATLEY REMARK 1 TITL AN X-RAY STUDY OF THE STRUCTURE AND BINDING PROPERTIES OF REMARK 1 TITL 2 IODINE-INACTIVATED LYSOZYME REMARK 1 REF J.MOL.BIOL. V. 97 643 1975 REMARK 1 REFN ISSN 0022-2836 REMARK 1 REFERENCE 4 REMARK 1 AUTH M.LEVITT REMARK 1 TITL ENERGY REFINEMENT OF HEN EGG-WHITE LYSOZYME REMARK 1 REF J.MOL.BIOL. V. 82 393 1974 REMARK 1 REFN ISSN 0022-2836 REMARK 1 REFERENCE 5 REMARK 1 AUTH C.C.F.BLAKE,G.A.MAIR,A.C.T.NORTH,D.C.PHILLIPS,V.R.SARMA REMARK 1 TITL ON THE CONFORMATION OF THE HEN EGG-WHITE LYSOZYME MOLECULE REMARK 1 REF PROC.R.SOC.LONDON,SER.B V. 167 365 1967 REMARK 1 REFN ISSN 0080-4649 REMARK 1 REFERENCE 6 REMARK 1 AUTH C.C.F.BLAKE,L.N.JOHNSON,G.A.MAIR,A.C.T.NORTH,D.C.PHILLIPS, REMARK 1 AUTH 2 V.R.SARMA REMARK 1 TITL CRYSTALLOGRAPHIC STUDIES OF THE ACTIVITY OF HEN EGG-WHITE REMARK 1 TITL 2 LYSOZYME REMARK 1 REF PROC.R.SOC.LONDON,SER.B V. 167 378 1967 REMARK 1 REFN ISSN 0080-4649 REMARK 1 REFERENCE 7 REMARK 1 AUTH D.C.PHILLIPS REMARK 1 TITL THE THREE-DIMENSIONAL STRUCTURE OF AN ENZYME MOLECULE REMARK 1 REF SCI.AM. V. 215 78 1966 REMARK 1 REFN ISSN 0036-8733 REMARK 1 REFERENCE 8 REMARK 1 AUTH C.C.F.BLAKE,D.F.KOENIG,G.A.MAIR,A.C.T.NORTH,D.C.PHILLIPS, REMARK 1 AUTH 2 V.R.SARMA REMARK 1 TITL STRUCTURE OF HEN EGG-WHITE LYSOZYME, A THREE-DIMENSIONAL REMARK 1 TITL 2 FOURIER SYNTHESIS AT 2 ANGSTROMS RESOLUTION REMARK 1 REF NATURE V. 206 757 1965 REMARK 1 REFN ISSN 0028-0836 REMARK 1 REFERENCE 9 REMARK 1 AUTH L.N.JOHNSON,D.C.PHILLIPS REMARK 1 TITL STRUCTURE OF SOME CRYSTALLINE LYSOZYME-INHIBITOR COMPLEXES REMARK 1 TITL 2 DETERMINED BY X-RAY ANALYSIS AT 6 ANGSTROMS RESOLUTION REMARK 1 REF NATURE V. 206 761 1965 REMARK 1 REFN ISSN 0028-0836 REMARK 1 REFERENCE 10 REMARK 1 EDIT R.J.FELDMANN REMARK 1 REF ATLAS OF MACROMOLECULAR 492 1976 REMARK 1 REF 2 STRUCTURE ON MICROFICHE REMARK 1 PUBL TRACOR JITCO INC.,ROCKVILLE,MD. REMARK 1 REFN REMARK 1 REFERENCE 11 REMARK 1 EDIT M.O.DAYHOFF REMARK 1 REF ATLAS OF PROTEIN SEQUENCE V. 5 138 1972 REMARK 1 REF 2 AND STRUCTURE (DATA SECTION) REMARK 1 PUBL NATIONAL BIOMEDICAL RESEARCH FOUNDATION, SILVER SPRING,MD. REMARK 1 REFN REMARK 2 REMARK 2 RESOLUTION. 2.00 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : NULL 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) : NULL REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL 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 : 1001 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 101 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) : NULL REMARK 3 BOND ANGLES (DEGREES) : NULL 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: REMARK 3 THE TEMPERATURE FACTOR FIELDS OF THIS ENTRY CONTAIN ELECTRON REMARK 3 COUNTS INSTEAD, IN THE FORM THEY WERE DEPOSITED. REMARK 3 REMARK 3 THE WATER MOLECULES WERE REFINED AGAINST A DIFFERENCE- REMARK 3 ELECTRON-DENSITY MAP OBTAINED USING THE COORDINATE SET REMARK 3 DESIGNATED RS4 IN THE PAPER CITED IN THE JRNL RECORDS REMARK 3 ABOVE. REMARK 4 REMARK 4 6LYZ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 100 THE DEPOSITION ID IS D_1000179841. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : NULL REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : NULL REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : NULL REMARK 200 DETECTOR MANUFACTURER : NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL REMARK 200 RESOLUTION RANGE HIGH (A) : NULL REMARK 200 RESOLUTION RANGE LOW (A) : NULL REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : NULL REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 40.52 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.07 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y+1/2,X+1/2,Z+3/4 REMARK 290 4555 Y+1/2,-X+1/2,Z+1/4 REMARK 290 5555 -X+1/2,Y+1/2,-Z+3/4 REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/4 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 18.95000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 39.55000 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 39.55000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 28.42500 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 39.55000 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 39.55000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 9.47500 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 39.55000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 39.55000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 28.42500 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 39.55000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 39.55000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 9.47500 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 18.95000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 218 LIES ON A SPECIAL POSITION. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O LYS A 97 OD1 ASP A 101 1.01 REMARK 500 O LYS A 97 CG ASP A 101 1.47 REMARK 500 NE2 GLN A 121 O HOH A 144 1.57 REMARK 500 OE1 GLN A 121 O HOH A 143 1.60 REMARK 500 CD GLN A 121 O HOH A 143 1.64 REMARK 500 NH1 ARG A 5 O TRP A 123 1.70 REMARK 500 O LYS A 97 OD2 ASP A 101 1.70 REMARK 500 NH1 ARG A 45 NH1 ARG A 68 1.74 REMARK 500 NH2 ARG A 5 O ARG A 125 1.77 REMARK 500 OD1 ASP A 87 OG1 THR A 89 2.08 REMARK 500 O HOH A 186 O HOH A 187A 2.08 REMARK 500 NE ARG A 21 O HOH A 217 2.10 REMARK 500 O ILE A 98 OD2 ASP A 101 2.11 REMARK 500 O HOH A 226 O HOH A 227 2.12 REMARK 500 O HOH A 161 O HOH A 163 2.12 REMARK 500 O THR A 69 O HOH A 222 2.13 REMARK 500 O HOH A 156 O HOH A 157 2.13 REMARK 500 CG1 VAL A 109 O HOH A 200 2.13 REMARK 500 OG SER A 24 O HOH A 153 2.15 REMARK 500 C LYS A 97 OD1 ASP A 101 2.16 REMARK 500 O HOH A 159 O HOH A 160 2.18 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 193 O HOH A 213 6456 0.06 REMARK 500 O HOH A 141 O HOH A 185 8555 0.13 REMARK 500 O HOH A 138A O HOH A 220 4454 0.16 REMARK 500 CD ARG A 128 O HOH A 186 8555 0.74 REMARK 500 NE ARG A 128 O HOH A 186 8555 1.58 REMARK 500 CG ARG A 128 O HOH A 186 8555 1.85 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 ASN A 19 CG ASN A 19 OD1 0.154 REMARK 500 ASN A 27 CG ASN A 27 OD1 0.153 REMARK 500 TRP A 28 NE1 TRP A 28 CE2 -0.097 REMARK 500 CYS A 30 CA CYS A 30 CB -0.155 REMARK 500 ASN A 37 CG ASN A 37 OD1 0.153 REMARK 500 ASN A 39 CG ASN A 39 OD1 0.153 REMARK 500 ASN A 44 CG ASN A 44 OD1 0.154 REMARK 500 ASN A 46 CG ASN A 46 OD1 0.155 REMARK 500 ASP A 48 CG ASP A 48 OD1 0.140 REMARK 500 ASN A 59 CG ASN A 59 OD1 0.154 REMARK 500 TRP A 62 NE1 TRP A 62 CE2 -0.095 REMARK 500 TRP A 63 NE1 TRP A 63 CE2 -0.096 REMARK 500 CYS A 64 CA CYS A 64 CB 0.151 REMARK 500 ASP A 66 CG ASP A 66 OD1 0.141 REMARK 500 ASN A 77 CG ASN A 77 OD1 0.154 REMARK 500 ASN A 93 CG ASN A 93 OD1 0.154 REMARK 500 ASN A 106 CG ASN A 106 OD1 0.155 REMARK 500 TRP A 108 NE1 TRP A 108 CE2 -0.095 REMARK 500 TRP A 111 NE1 TRP A 111 CE2 -0.096 REMARK 500 TRP A 123 NE1 TRP A 123 CE2 -0.097 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 CYS A 6 CA - CB - SG ANGL. DEV. = 13.9 DEGREES REMARK 500 ASP A 18 CB - CG - OD1 ANGL. DEV. = 6.6 DEGREES REMARK 500 ASP A 48 CB - CG - OD2 ANGL. DEV. = 6.6 DEGREES REMARK 500 ASP A 52 CB - CG - OD1 ANGL. DEV. = 6.6 DEGREES REMARK 500 TRP A 62 N - CA - C ANGL. DEV. = 16.7 DEGREES REMARK 500 TRP A 63 CA - CB - CG ANGL. DEV. = -12.9 DEGREES REMARK 500 ASP A 66 CB - CG - OD2 ANGL. DEV. = 6.6 DEGREES REMARK 500 PRO A 70 N - CA - C ANGL. DEV. = 24.9 DEGREES REMARK 500 SER A 72 CB - CA - C ANGL. DEV. = -12.8 DEGREES REMARK 500 SER A 72 N - CA - C ANGL. DEV. = 20.7 DEGREES REMARK 500 ARG A 73 N - CA - C ANGL. DEV. = -21.1 DEGREES REMARK 500 CYS A 76 N - CA - CB ANGL. DEV. = 17.5 DEGREES REMARK 500 CYS A 76 CA - CB - SG ANGL. DEV. = 12.1 DEGREES REMARK 500 PRO A 79 N - CA - C ANGL. DEV. = -17.7 DEGREES REMARK 500 ASP A 87 CB - CG - OD1 ANGL. DEV. = 6.6 DEGREES REMARK 500 ASP A 101 CB - CG - OD1 ANGL. DEV. = 6.5 DEGREES REMARK 500 GLY A 102 N - CA - C ANGL. DEV. = 17.8 DEGREES REMARK 500 TRP A 111 CA - CB - CG ANGL. DEV. = -16.9 DEGREES REMARK 500 CYS A 115 N - CA - CB ANGL. DEV. = 11.1 DEGREES REMARK 500 THR A 118 N - CA - C ANGL. DEV. = -29.0 DEGREES REMARK 500 ASP A 119 CB - CG - OD1 ANGL. DEV. = 6.6 DEGREES REMARK 500 ASP A 119 N - CA - C ANGL. DEV. = -17.5 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 ASN A 19 14.81 59.86 REMARK 500 ARG A 21 15.89 51.63 REMARK 500 PHE A 38 19.20 58.91 REMARK 500 SER A 72 109.98 -16.63 REMARK 500 CYS A 115 -58.11 -122.37 REMARK 500 LYS A 116 116.68 -38.41 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 SER A 100 ASP A 101 -144.44 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 A 5 0.16 SIDE CHAIN REMARK 500 ARG A 14 0.09 SIDE CHAIN REMARK 500 ARG A 114 0.12 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 6LYZ A 1 129 UNP P00698 LYSC_CHICK 19 147 SEQRES 1 A 129 LYS VAL PHE GLY ARG CYS GLU LEU ALA ALA ALA MET LYS SEQRES 2 A 129 ARG HIS GLY LEU ASP ASN TYR ARG GLY TYR SER LEU GLY SEQRES 3 A 129 ASN TRP VAL CYS ALA ALA LYS PHE GLU SER ASN PHE ASN SEQRES 4 A 129 THR GLN ALA THR ASN ARG ASN THR ASP GLY SER THR ASP SEQRES 5 A 129 TYR GLY ILE LEU GLN ILE ASN SER ARG TRP TRP CYS ASN SEQRES 6 A 129 ASP GLY ARG THR PRO GLY SER ARG ASN LEU CYS ASN ILE SEQRES 7 A 129 PRO CYS SER ALA LEU LEU SER SER ASP ILE THR ALA SER SEQRES 8 A 129 VAL ASN CYS ALA LYS LYS ILE VAL SER ASP GLY ASN GLY SEQRES 9 A 129 MET ASN ALA TRP VAL ALA TRP ARG ASN ARG CYS LYS GLY SEQRES 10 A 129 THR ASP VAL GLN ALA TRP ILE ARG GLY CYS ARG LEU FORMUL 2 HOH *101(H2 O) HELIX 1 A ARG A 5 HIS A 15 1 11 HELIX 2 B LEU A 25 GLU A 35 1 11 HELIX 3 C CYS A 80 LEU A 84 5 5 HELIX 4 D THR A 89 LYS A 96 1 8 SHEET 1 S1 2 LYS A 1 PHE A 3 0 SHEET 2 S1 2 PHE A 38 THR A 40 -1 N THR A 40 O LYS A 1 SHEET 1 S2 3 ALA A 42 ASN A 46 0 SHEET 2 S2 3 SER A 50 GLY A 54 -1 N ASN A 46 O SER A 50 SHEET 3 S2 3 GLN A 57 SER A 60 -1 N TYR A 53 O ILE A 58 SSBOND 1 CYS A 6 CYS A 127 1555 1555 2.03 SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.04 SSBOND 3 CYS A 64 CYS A 80 1555 1555 2.01 SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.11 CRYST1 79.100 79.100 37.900 90.00 90.00 90.00 P 43 21 2 8 ORIGX1 1.517067 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.517067 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.583113 0.00000 SCALE1 0.012642 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012642 0.000000 0.00000 SCALE3 0.000000 0.000000 0.026385 0.00000 ATOM 1 N LYS A 1 3.287 10.092 10.329 1.00 5.89 N ATOM 2 CA LYS A 1 2.445 10.457 9.182 1.00 8.16 C ATOM 3 C LYS A 1 2.500 11.978 9.038 1.00 8.04 C ATOM 4 O LYS A 1 2.588 12.719 10.041 1.00 7.07 O ATOM 5 CB LYS A 1 1.006 9.995 9.385 1.00 3.88 C ATOM 6 CG LYS A 1 0.016 10.546 8.377 1.00 3.81 C ATOM 7 CD LYS A 1 -1.404 10.093 8.699 1.00 2.91 C ATOM 8 CE LYS A 1 -2.269 10.030 7.451 1.00 3.97 C ATOM 9 NZ LYS A 1 -3.559 9.362 7.735 1.00 2.08 N ATOM 10 N VAL A 2 2.441 12.404 7.789 1.00 8.75 N ATOM 11 CA VAL A 2 2.396 13.826 7.425 1.00 9.16 C ATOM 12 C VAL A 2 1.003 14.071 6.846 1.00 6.43 C ATOM 13 O VAL A 2 0.719 13.722 5.679 1.00 4.91 O ATOM 14 CB VAL A 2 3.509 14.142 6.435 1.00 7.06 C ATOM 15 CG1 VAL A 2 3.490 15.586 5.874 1.00 6.53 C ATOM 16 CG2 VAL A 2 4.864 13.746 6.959 1.00 6.53 C ATOM 17 N PHE A 3 0.170 14.674 7.679 1.00 4.25 N ATOM 18 CA PHE A 3 -1.200 15.052 7.311 1.00 7.49 C ATOM 19 C PHE A 3 -1.320 16.157 6.264 1.00 9.11 C ATOM 20 O PHE A 3 -0.422 17.016 6.128 1.00 9.90 O ATOM 21 CB PHE A 3 -1.944 15.502 8.553 1.00 6.65 C ATOM 22 CG PHE A 3 -2.576 14.509 9.484 1.00 6.92 C ATOM 23 CD1 PHE A 3 -3.879 14.182 9.312 1.00 5.76 C ATOM 24 CD2 PHE A 3 -1.854 13.862 10.454 1.00 5.12 C ATOM 25 CE1 PHE A 3 -4.533 13.235 10.153 1.00 6.10 C ATOM 26 CE2 PHE A 3 -2.511 12.876 11.267 1.00 7.79 C ATOM 27 CZ PHE A 3 -3.823 12.611 11.125 1.00 6.20 C ATOM 28 N GLY A 4 -2.434 16.109 5.552 1.00 6.26 N ATOM 29 CA GLY A 4 -2.797 17.128 4.559 1.00 3.25 C ATOM 30 C GLY A 4 -3.512 18.199 5.385 1.00 8.37 C ATOM 31 O GLY A 4 -4.153 17.897 6.414 1.00 7.03 O ATOM 32 N ARG A 5 -3.384 19.426 4.904 1.00 5.92 N ATOM 33 CA ARG A 5 -3.979 20.606 5.546 1.00 9.92 C ATOM 34 C ARG A 5 -5.429 20.277 5.903 1.00 6.90 C ATOM 35 O ARG A 5 -5.819 20.286 7.091 1.00 6.48 O ATOM 36 CB ARG A 5 -3.936 21.832 4.613 1.00 5.72 C ATOM 37 CG ARG A 5 -4.776 23.030 5.096 1.00 5.85 C ATOM 38 CD ARG A 5 -4.600 24.202 4.151 1.00 4.80 C ATOM 39 NE ARG A 5 -5.720 24.288 3.199 1.00 7.54 N ATOM 40 CZ ARG A 5 -6.899 24.879 3.491 1.00 2.10 C ATOM 41 NH1 ARG A 5 -7.401 24.838 4.733 1.00 4.85 N ATOM 42 NH2 ARG A 5 -7.553 25.508 2.531 1.00 4.85 N ATOM 43 N CYS A 6 -6.190 19.989 4.859 1.00 4.10 N ATOM 44 CA CYS A 6 -7.588 19.557 4.979 1.00 7.38 C ATOM 45 C CYS A 6 -7.979 18.286 5.734 1.00 7.85 C ATOM 46 O CYS A 6 -9.009 18.248 6.442 1.00 3.09 O ATOM 47 CB CYS A 6 -8.281 19.722 3.493 1.00 8.09 C ATOM 48 SG CYS A 6 -9.062 21.202 2.777 1.00 9.87 S ATOM 49 N GLU A 7 -7.139 17.278 5.565 1.00 8.51 N ATOM 50 CA GLU A 7 -7.298 15.981 6.233 1.00 8.02 C ATOM 51 C GLU A 7 -7.220 16.067 7.758 1.00 8.57 C ATOM 52 O GLU A 7 -8.010 15.426 8.481 1.00 3.39 O ATOM 53 CB GLU A 7 -6.197 14.974 5.798 1.00 6.73 C ATOM 54 CG GLU A 7 -6.331 13.531 6.327 1.00 5.42 C ATOM 55 CD GLU A 7 -5.109 12.590 6.005 1.00 3.74 C ATOM 56 OE1 GLU A 7 -4.252 13.263 5.433 1.00 5.01 O ATOM 57 OE2 GLU A 7 -5.112 11.432 6.299 1.00 5.01 O ATOM 58 N LEU A 8 -6.267 16.871 8.205 1.00 8.39 N ATOM 59 CA LEU A 8 -6.065 17.161 9.628 1.00 9.11 C ATOM 60 C LEU A 8 -7.166 18.027 10.242 1.00 11.92 C ATOM 61 O LEU A 8 -7.585 17.812 11.399 1.00 7.92 O ATOM 62 CB LEU A 8 -4.721 17.886 9.834 1.00 8.41 C ATOM 63 CG LEU A 8 -4.366 18.337 11.235 1.00 5.23 C ATOM 64 CD1 LEU A 8 -4.134 17.129 12.110 1.00 4.96 C ATOM 65 CD2 LEU A 8 -3.132 19.205 11.216 1.00 4.96 C ATOM 66 N ALA A 9 -7.610 18.984 9.442 1.00 8.16 N ATOM 67 CA ALA A 9 -8.681 19.915 9.821 1.00 6.94 C ATOM 68 C ALA A 9 -9.827 18.969 10.168 1.00 7.38 C ATOM 69 O ALA A 9 -10.361 18.990 11.298 1.00 5.52 O ATOM 70 CB ALA A 9 -9.164 20.763 8.633 1.00 5.53 C ATOM 71 N ALA A 10 -10.175 18.158 9.181 1.00 7.04 N ATOM 72 CA ALA A 10 -11.227 17.143 9.311 1.00 7.96 C ATOM 73 C ALA A 10 -11.176 16.305 10.589 1.00 7.35 C ATOM 74 O ALA A 10 -12.198 16.134 11.289 1.00 4.77 O ATOM 75 CB ALA A 10 -11.035 16.160 8.147 1.00 3.87 C ATOM 76 N ALA A 11 -9.980 15.811 10.862 1.00 11.08 N ATOM 77 CA ALA A 11 -9.710 14.962 12.030 1.00 12.72 C ATOM 78 C ALA A 11 -9.785 15.588 13.423 1.00 5.13 C ATOM 79 O ALA A 11 -10.251 14.950 14.392 1.00 7.19 O ATOM 80 CB ALA A 11 -8.262 14.485 11.851 1.00 7.11 C ATOM 81 N MET A 12 -9.329 16.826 13.485 1.00 8.97 N ATOM 82 CA MET A 12 -9.312 17.616 14.723 1.00 9.03 C ATOM 83 C MET A 12 -10.756 17.953 15.082 1.00 7.30 C ATOM 84 O MET A 12 -11.133 17.990 16.273 1.00 5.40 O ATOM 85 CB MET A 12 -8.477 18.904 14.518 1.00 9.07 C ATOM 86 CG MET A 12 -6.997 18.590 14.466 1.00 6.16 C ATOM 87 SD MET A 12 -6.008 20.077 14.384 1.00 13.34 S ATOM 88 CE MET A 12 -6.223 20.649 16.046 1.00 2.48 C ATOM 89 N LYS A 13 -11.532 18.187 14.036 1.00 7.03 N ATOM 90 CA LYS A 13 -12.968 18.474 14.148 1.00 5.87 C ATOM 91 C LYS A 13 -13.675 17.265 14.762 1.00 7.75 C ATOM 92 O LYS A 13 -14.398 17.386 15.774 1.00 11.40 O ATOM 93 CB LYS A 13 -13.578 18.782 12.785 1.00 9.06 C ATOM 94 CG LYS A 13 -14.585 19.917 12.784 1.00 1.97 C ATOM 95 CD LYS A 13 -15.649 19.703 11.711 1.00 4.38 C ATOM 96 CE LYS A 13 -16.990 20.284 12.131 1.00 7.61 C ATOM 97 NZ LYS A 13 -18.063 19.857 11.205 1.00 3.21 N ATOM 98 N ARG A 14 -13.442 16.126 14.130 1.00 4.70 N ATOM 99 CA ARG A 14 -14.069 14.856 14.511 1.00 5.29 C ATOM 100 C ARG A 14 -13.738 14.623 15.986 1.00 3.62 C ATOM 101 O ARG A 14 -14.578 14.120 16.763 1.00 6.44 O ATOM 102 CB ARG A 14 -13.543 13.693 13.646 1.00 4.14 C ATOM 103 CG ARG A 14 -14.603 12.632 13.292 1.00 2.51 C ATOM 104 CD ARG A 14 -14.529 11.475 14.269 1.00 6.09 C ATOM 105 NE ARG A 14 -13.260 10.743 14.128 1.00 2.95 N ATOM 106 CZ ARG A 14 -12.936 9.668 14.879 1.00 5.57 C ATOM 107 NH1 ARG A 14 -13.592 9.402 16.018 1.00 4.03 N ATOM 108 NH2 ARG A 14 -11.963 8.873 14.472 1.00 4.03 N ATOM 109 N HIS A 15 -12.517 15.001 16.333 1.00 6.42 N ATOM 110 CA HIS A 15 -12.027 14.963 17.717 1.00 5.25 C ATOM 111 C HIS A 15 -12.439 16.053 18.704 1.00 7.84 C ATOM 112 O HIS A 15 -11.863 16.176 19.807 1.00 3.93 O ATOM 113 CB HIS A 15 -10.500 14.983 17.698 1.00 5.38 C ATOM 114 CG HIS A 15 -10.099 13.531 17.614 1.00 6.73 C ATOM 115 ND1 HIS A 15 -9.925 12.883 16.401 1.00 5.16 N ATOM 116 CD2 HIS A 15 -9.867 12.602 18.576 1.00 6.16 C ATOM 117 CE1 HIS A 15 -9.607 11.625 16.639 1.00 4.83 C ATOM 118 NE2 HIS A 15 -9.545 11.445 17.939 1.00 5.50 N ATOM 119 N GLY A 16 -13.435 16.816 18.281 1.00 7.58 N ATOM 120 CA GLY A 16 -14.018 17.896 19.087 1.00 2.07 C ATOM 121 C GLY A 16 -13.264 19.180 19.436 1.00 5.74 C ATOM 122 O GLY A 16 -13.628 19.904 20.388 1.00 5.97 O ATOM 123 N LEU A 17 -12.229 19.430 18.649 1.00 8.86 N ATOM 124 CA LEU A 17 -11.404 20.640 18.766 1.00 7.33 C ATOM 125 C LEU A 17 -11.808 21.993 18.180 1.00 8.84 C ATOM 126 O LEU A 17 -11.257 23.050 18.558 1.00 7.07 O ATOM 127 CB LEU A 17 -10.022 20.399 18.129 1.00 6.46 C ATOM 128 CG LEU A 17 -8.921 19.855 19.012 1.00 8.47 C ATOM 129 CD1 LEU A 17 -7.645 19.743 18.212 1.00 4.23 C ATOM 130 CD2 LEU A 17 -8.705 20.753 20.205 1.00 4.23 C ATOM 131 N ASP A 18 -12.769 21.924 17.272 1.00 8.88 N ATOM 132 CA ASP A 18 -13.365 23.109 16.641 1.00 5.31 C ATOM 133 C ASP A 18 -14.011 23.782 17.854 1.00 8.68 C ATOM 134 O ASP A 18 -14.854 23.178 18.553 1.00 5.17 O ATOM 135 CB ASP A 18 -14.345 22.666 15.532 1.00 5.62 C ATOM 136 CG ASP A 18 -14.876 23.849 14.764 1.00 3.49 C ATOM 137 OD1 ASP A 18 -14.236 24.851 14.498 1.00 2.14 O ATOM 138 OD2 ASP A 18 -15.998 23.736 14.352 1.00 2.14 O ATOM 139 N ASN A 19 -13.599 25.023 18.067 1.00 2.91 N ATOM 140 CA ASN A 19 -14.080 25.848 19.183 1.00 5.63 C ATOM 141 C ASN A 19 -13.907 25.450 20.649 1.00 10.55 C ATOM 142 O ASN A 19 -14.552 26.022 21.553 1.00 3.45 O ATOM 143 CB ASN A 19 -15.602 26.068 19.046 1.00 4.15 C ATOM 144 CG ASN A 19 -15.929 26.923 17.849 1.00 3.82 C ATOM 145 OD1 ASN A 19 -15.310 28.166 17.816 1.00 2.46 O ATOM 146 ND2 ASN A 19 -16.720 26.622 16.972 1.00 2.46 N ATOM 147 N TYR A 20 -13.032 24.476 20.845 1.00 8.02 N ATOM 148 CA TYR A 20 -12.724 23.927 22.172 1.00 4.63 C ATOM 149 C TYR A 20 -12.155 25.198 22.804 1.00 10.40 C ATOM 150 O TYR A 20 -11.274 25.868 22.223 1.00 5.12 O ATOM 151 CB TYR A 20 -11.765 22.735 22.006 1.00 6.49 C ATOM 152 CG TYR A 20 -11.572 22.207 23.435 1.00 7.81 C ATOM 153 CD1 TYR A 20 -12.603 21.432 23.998 1.00 3.62 C ATOM 154 CD2 TYR A 20 -10.471 22.536 24.179 1.00 5.41 C ATOM 155 CE1 TYR A 20 -12.436 20.936 25.358 1.00 4.65 C ATOM 156 CE2 TYR A 20 -10.298 22.057 25.513 1.00 3.82 C ATOM 157 CZ TYR A 20 -11.337 21.291 26.058 1.00 3.62 C ATOM 158 OH TYR A 20 -11.189 20.843 27.354 1.00 7.77 O ATOM 159 N ARG A 21 -12.673 25.493 23.987 1.00 8.37 N ATOM 160 CA ARG A 21 -12.261 26.661 24.776 1.00 5.84 C ATOM 161 C ARG A 21 -12.277 28.006 24.048 1.00 6.47 C ATOM 162 O ARG A 21 -11.682 29.000 24.518 1.00 8.33 O ATOM 163 CB ARG A 21 -10.823 26.497 25.309 1.00 4.73 C ATOM 164 CG ARG A 21 -10.717 25.690 26.617 1.00 5.83 C ATOM 165 CD ARG A 21 -11.771 26.155 27.602 1.00 4.50 C ATOM 166 NE ARG A 21 -11.453 25.706 28.967 1.00 2.41 N ATOM 167 CZ ARG A 21 -10.858 26.496 29.888 1.00 4.49 C ATOM 168 NH1 ARG A 21 -10.400 27.712 29.558 1.00 3.53 N ATOM 169 NH2 ARG A 21 -10.740 26.055 31.127 1.00 3.53 N ATOM 170 N GLY A 22 -12.965 28.001 22.918 1.00 8.36 N ATOM 171 CA GLY A 22 -13.140 29.194 22.079 1.00 6.98 C ATOM 172 C GLY A 22 -12.179 29.513 20.934 1.00 7.65 C ATOM 173 O GLY A 22 -12.180 30.635 20.384 1.00 6.83 O ATOM 174 N TYR A 23 -11.383 28.508 20.602 1.00 5.84 N ATOM 175 CA TYR A 23 -10.435 28.571 19.482 1.00 8.42 C ATOM 176 C TYR A 23 -11.080 27.843 18.302 1.00 8.79 C ATOM 177 O TYR A 23 -11.314 26.616 18.351 1.00 8.21 O ATOM 178 CB TYR A 23 -9.108 27.933 19.921 1.00 6.57 C ATOM 179 CG TYR A 23 -8.475 28.799 21.020 1.00 8.04 C ATOM 180 CD1 TYR A 23 -7.776 29.955 20.628 1.00 5.75 C ATOM 181 CD2 TYR A 23 -8.515 28.428 22.336 1.00 6.17 C ATOM 182 CE1 TYR A 23 -7.162 30.779 21.662 1.00 7.27 C ATOM 183 CE2 TYR A 23 -7.915 29.227 23.357 1.00 7.04 C ATOM 184 CZ TYR A 23 -7.220 30.373 22.948 1.00 6.19 C ATOM 185 OH TYR A 23 -6.617 31.138 23.924 1.00 8.33 O ATOM 186 N SER A 24 -11.345 28.624 17.266 1.00 6.79 N ATOM 187 CA SER A 24 -11.779 28.107 15.961 1.00 6.76 C ATOM 188 C SER A 24 -10.834 27.005 15.482 1.00 7.90 C ATOM 189 O SER A 24 -9.632 26.991 15.825 1.00 4.41 O ATOM 190 CB SER A 24 -11.808 29.220 14.937 1.00 6.05 C ATOM 191 OG SER A 24 -10.798 29.060 13.944 1.00 6.36 O ATOM 192 N LEU A 25 -11.406 26.110 14.692 1.00 9.58 N ATOM 193 CA LEU A 25 -10.673 24.992 14.084 1.00 5.23 C ATOM 194 C LEU A 25 -9.360 25.444 13.450 1.00 8.56 C ATOM 195 O LEU A 25 -8.315 24.771 13.585 1.00 5.58 O ATOM 196 CB LEU A 25 -11.540 24.319 13.002 1.00 7.09 C ATOM 197 CG LEU A 25 -11.381 22.827 12.790 1.00 8.08 C ATOM 198 CD1 LEU A 25 -12.160 22.405 11.567 1.00 5.22 C ATOM 199 CD2 LEU A 25 -9.924 22.468 12.620 1.00 5.22 C ATOM 200 N GLY A 26 -9.445 26.582 12.775 1.00 6.38 N ATOM 201 CA GLY A 26 -8.312 27.181 12.063 1.00 10.46 C ATOM 202 C GLY A 26 -7.108 27.500 12.950 1.00 4.01 C ATOM 203 O GLY A 26 -5.941 27.389 12.517 1.00 8.48 O ATOM 204 N ASN A 27 -7.428 27.884 14.175 1.00 10.78 N ATOM 205 CA ASN A 27 -6.430 28.273 15.179 1.00 6.39 C ATOM 206 C ASN A 27 -5.537 27.059 15.431 1.00 7.81 C ATOM 207 O ASN A 27 -4.313 27.191 15.646 1.00 7.14 O ATOM 208 CB ASN A 27 -7.147 28.740 16.462 1.00 6.98 C ATOM 209 CG ASN A 27 -7.357 30.231 16.463 1.00 7.45 C ATOM 210 OD1 ASN A 27 -6.209 30.997 16.609 1.00 7.95 O ATOM 211 ND2 ASN A 27 -8.442 30.780 16.404 1.00 7.95 N ATOM 212 N TRP A 28 -6.177 25.902 15.390 1.00 10.07 N ATOM 213 CA TRP A 28 -5.505 24.609 15.559 1.00 9.13 C ATOM 214 C TRP A 28 -4.665 23.983 14.446 1.00 8.18 C ATOM 215 O TRP A 28 -3.612 23.361 14.704 1.00 8.37 O ATOM 216 CB TRP A 28 -6.554 23.555 15.908 1.00 7.06 C ATOM 217 CG TRP A 28 -7.269 23.840 17.280 1.00 6.17 C ATOM 218 CD1 TRP A 28 -8.523 24.250 17.513 1.00 5.80 C ATOM 219 CD2 TRP A 28 -6.706 23.650 18.543 1.00 5.29 C ATOM 220 NE1 TRP A 28 -8.732 24.396 18.940 1.00 8.43 N ATOM 221 CE2 TRP A 28 -7.674 23.999 19.529 1.00 6.79 C ATOM 222 CE3 TRP A 28 -5.464 23.219 18.944 1.00 8.14 C ATOM 223 CZ2 TRP A 28 -7.476 23.935 20.910 1.00 6.38 C ATOM 224 CZ3 TRP A 28 -5.270 23.172 20.340 1.00 5.52 C ATOM 225 CH2 TRP A 28 -6.247 23.476 21.275 1.00 3.75 C ATOM 226 N VAL A 29 -5.154 24.171 13.232 1.00 10.45 N ATOM 227 CA VAL A 29 -4.492 23.682 12.017 1.00 5.01 C ATOM 228 C VAL A 29 -3.253 24.561 11.843 1.00 8.46 C ATOM 229 O VAL A 29 -2.171 24.079 11.444 1.00 9.72 O ATOM 230 CB VAL A 29 -5.451 23.767 10.838 1.00 6.83 C ATOM 231 CG1 VAL A 29 -4.805 23.514 9.455 1.00 7.13 C ATOM 232 CG2 VAL A 29 -6.688 22.937 11.054 1.00 7.13 C ATOM 233 N CYS A 30 -3.446 25.833 12.153 1.00 8.74 N ATOM 234 CA CYS A 30 -2.402 26.857 12.026 1.00 5.64 C ATOM 235 C CYS A 30 -1.220 26.541 12.944 1.00 6.38 C ATOM 236 O CYS A 30 -0.052 26.500 12.500 1.00 9.03 O ATOM 237 CB CYS A 30 -2.789 28.170 12.105 1.00 6.76 C ATOM 238 SG CYS A 30 -1.561 29.508 11.989 1.00 19.88 S ATOM 239 N ALA A 31 -1.560 26.319 14.203 1.00 8.62 N ATOM 240 CA ALA A 31 -0.578 26.085 15.269 1.00 5.98 C ATOM 241 C ALA A 31 0.250 24.868 14.857 1.00 5.35 C ATOM 242 O ALA A 31 1.495 24.865 14.970 1.00 7.60 O ATOM 243 CB ALA A 31 -1.290 25.699 16.574 1.00 8.35 C ATOM 244 N ALA A 32 -0.468 23.864 14.383 1.00 11.37 N ATOM 245 CA ALA A 32 0.120 22.587 13.962 1.00 6.17 C ATOM 246 C ALA A 32 1.052 22.617 12.751 1.00 8.44 C ATOM 247 O ALA A 32 2.038 21.851 12.676 1.00 5.84 O ATOM 248 CB ALA A 32 -1.064 21.690 13.572 1.00 4.22 C ATOM 249 N LYS A 33 0.716 23.508 11.834 1.00 10.59 N ATOM 250 CA LYS A 33 1.476 23.709 10.595 1.00 6.52 C ATOM 251 C LYS A 33 2.877 24.208 10.953 1.00 8.23 C ATOM 252 O LYS A 33 3.895 23.565 10.619 1.00 6.23 O ATOM 253 CB LYS A 33 0.788 24.719 9.685 1.00 5.00 C ATOM 254 CG LYS A 33 1.691 25.351 8.643 1.00 6.88 C ATOM 255 CD LYS A 33 2.002 24.369 7.523 1.00 7.88 C ATOM 256 CE LYS A 33 2.857 25.009 6.441 1.00 5.13 C ATOM 257 NZ LYS A 33 3.367 23.989 5.500 1.00 5.80 N ATOM 258 N PHE A 34 2.888 25.345 11.630 1.00 7.38 N ATOM 259 CA PHE A 34 4.120 25.982 12.108 1.00 6.80 C ATOM 260 C PHE A 34 4.864 25.384 13.303 1.00 1.66 C ATOM 261 O PHE A 34 5.969 25.838 13.669 1.00 7.94 O ATOM 262 CB PHE A 34 3.823 27.421 12.484 1.00 6.21 C ATOM 263 CG PHE A 34 3.522 28.104 11.182 1.00 8.91 C ATOM 264 CD1 PHE A 34 2.352 28.770 11.043 1.00 4.64 C ATOM 265 CD2 PHE A 34 4.430 28.142 10.155 1.00 5.75 C ATOM 266 CE1 PHE A 34 2.015 29.452 9.839 1.00 6.04 C ATOM 267 CE2 PHE A 34 4.099 28.870 8.963 1.00 8.97 C ATOM 268 CZ PHE A 34 2.905 29.472 8.818 1.00 6.88 C ATOM 269 N GLU A 35 4.235 24.371 13.876 1.00 9.16 N ATOM 270 CA GLU A 35 4.710 23.725 15.105 1.00 8.15 C ATOM 271 C GLU A 35 5.492 22.522 14.577 1.00 6.29 C ATOM 272 O GLU A 35 6.672 22.311 14.933 1.00 7.55 O ATOM 273 CB GLU A 35 3.529 23.292 16.018 1.00 6.17 C ATOM 274 CG GLU A 35 3.781 23.319 17.539 1.00 1.00 C ATOM 275 CD GLU A 35 4.672 24.515 18.041 1.00 6.62 C ATOM 276 OE1 GLU A 35 5.840 24.269 17.743 1.00 5.48 O ATOM 277 OE2 GLU A 35 4.202 25.453 18.611 1.00 5.48 O ATOM 278 N SER A 36 4.811 21.766 13.733 1.00 5.51 N ATOM 279 CA SER A 36 5.349 20.531 13.150 1.00 5.96 C ATOM 280 C SER A 36 5.269 20.152 11.672 1.00 8.94 C ATOM 281 O SER A 36 5.683 19.044 11.266 1.00 9.73 O ATOM 282 CB SER A 36 4.713 19.323 13.800 1.00 6.40 C ATOM 283 OG SER A 36 3.312 19.255 13.548 1.00 7.12 O ATOM 284 N ASN A 37 4.739 21.089 10.903 1.00 8.51 N ATOM 285 CA ASN A 37 4.540 20.923 9.459 1.00 7.02 C ATOM 286 C ASN A 37 3.675 19.698 9.166 1.00 7.37 C ATOM 287 O ASN A 37 3.923 18.949 8.200 1.00 7.84 O ATOM 288 CB ASN A 37 5.909 20.785 8.761 1.00 5.55 C ATOM 289 CG ASN A 37 5.922 21.493 7.434 1.00 8.03 C ATOM 290 OD1 ASN A 37 5.145 22.641 7.360 1.00 3.60 O ATOM 291 ND2 ASN A 37 6.506 21.098 6.441 1.00 3.60 N ATOM 292 N PHE A 38 2.674 19.529 10.015 1.00 6.59 N ATOM 293 CA PHE A 38 1.700 18.438 9.899 1.00 5.20 C ATOM 294 C PHE A 38 2.308 17.037 9.941 1.00 4.72 C ATOM 295 O PHE A 38 1.677 16.048 9.512 1.00 4.43 O ATOM 296 CB PHE A 38 0.932 18.594 8.602 1.00 7.03 C ATOM 297 CG PHE A 38 0.122 19.847 8.439 1.00 6.77 C ATOM 298 CD1 PHE A 38 -0.399 20.441 9.533 1.00 6.90 C ATOM 299 CD2 PHE A 38 -0.039 20.452 7.219 1.00 4.81 C ATOM 300 CE1 PHE A 38 -1.163 21.641 9.445 1.00 4.37 C ATOM 301 CE2 PHE A 38 -0.772 21.684 7.147 1.00 6.84 C ATOM 302 CZ PHE A 38 -1.339 22.228 8.240 1.00 5.94 C ATOM 303 N ASN A 39 3.523 16.992 10.465 1.00 9.08 N ATOM 304 CA ASN A 39 4.274 15.746 10.644 1.00 9.32 C ATOM 305 C ASN A 39 4.246 15.351 12.121 1.00 7.13 C ATOM 306 O ASN A 39 4.873 16.009 12.977 1.00 7.23 O ATOM 307 CB ASN A 39 5.722 15.938 10.149 1.00 5.83 C ATOM 308 CG ASN A 39 6.540 14.689 10.346 1.00 5.38 C ATOM 309 OD1 ASN A 39 5.832 13.568 10.757 1.00 6.85 O ATOM 310 ND2 ASN A 39 7.750 14.624 10.225 1.00 6.85 N ATOM 311 N THR A 40 3.518 14.276 12.379 1.00 7.69 N ATOM 312 CA THR A 40 3.383 13.702 13.723 1.00 5.74 C ATOM 313 C THR A 40 4.586 13.021 14.379 1.00 9.13 C ATOM 314 O THR A 40 4.616 12.812 15.611 1.00 7.66 O ATOM 315 CB THR A 40 2.245 12.666 13.661 1.00 8.62 C ATOM 316 OG1 THR A 40 2.863 11.502 13.123 1.00 5.62 O ATOM 317 CG2 THR A 40 1.107 13.112 12.782 1.00 3.71 C ATOM 318 N GLN A 41 5.550 12.696 13.533 1.00 9.10 N ATOM 319 CA GLN A 41 6.824 12.104 13.957 1.00 8.28 C ATOM 320 C GLN A 41 7.901 13.084 14.424 1.00 9.15 C ATOM 321 O GLN A 41 8.999 12.677 14.859 1.00 5.64 O ATOM 322 CB GLN A 41 7.372 11.303 12.809 1.00 8.35 C ATOM 323 CG GLN A 41 6.650 10.047 12.577 1.00 6.00 C ATOM 324 CD GLN A 41 7.506 8.891 12.042 1.00 8.19 C ATOM 325 OE1 GLN A 41 7.565 8.718 10.777 1.00 4.04 O ATOM 326 NE2 GLN A 41 8.165 8.200 12.872 1.00 4.04 N ATOM 327 N ALA A 42 7.552 14.357 14.323 1.00 4.92 N ATOM 328 CA ALA A 42 8.427 15.463 14.730 1.00 7.33 C ATOM 329 C ALA A 42 8.807 15.523 16.211 1.00 7.56 C ATOM 330 O ALA A 42 7.964 15.283 17.103 1.00 10.23 O ATOM 331 CB ALA A 42 7.647 16.751 14.435 1.00 7.78 C ATOM 332 N THR A 43 10.071 15.848 16.432 1.00 7.52 N ATOM 333 CA THR A 43 10.622 16.061 17.776 1.00 6.27 C ATOM 334 C THR A 43 11.637 17.199 17.672 1.00 10.16 C ATOM 335 O THR A 43 12.218 17.448 16.593 1.00 4.28 O ATOM 336 CB THR A 43 11.235 14.726 18.234 1.00 5.70 C ATOM 337 OG1 THR A 43 12.261 14.469 17.281 1.00 6.25 O ATOM 338 CG2 THR A 43 10.231 13.604 18.241 1.00 4.23 C ATOM 339 N ASN A 44 11.827 17.859 18.804 1.00 6.22 N ATOM 340 CA ASN A 44 12.810 18.940 18.949 1.00 7.48 C ATOM 341 C ASN A 44 13.223 19.117 20.411 1.00 7.41 C ATOM 342 O ASN A 44 12.369 19.302 21.304 1.00 5.52 O ATOM 343 CB ASN A 44 12.215 20.256 18.406 1.00 5.16 C ATOM 344 CG ASN A 44 12.029 20.200 16.912 1.00 4.50 C ATOM 345 OD1 ASN A 44 13.198 20.204 16.162 1.00 4.85 O ATOM 346 ND2 ASN A 44 10.952 20.211 16.342 1.00 4.85 N ATOM 347 N ARG A 45 14.530 19.060 20.613 1.00 7.58 N ATOM 348 CA ARG A 45 15.147 19.257 21.932 1.00 5.73 C ATOM 349 C ARG A 45 15.358 20.739 22.243 1.00 10.12 C ATOM 350 O ARG A 45 15.783 21.528 21.371 1.00 3.87 O ATOM 351 CB ARG A 45 16.517 18.554 22.017 1.00 5.39 C ATOM 352 CG ARG A 45 17.046 18.361 23.450 1.00 6.29 C ATOM 353 CD ARG A 45 17.656 16.982 23.599 1.00 4.43 C ATOM 354 NE ARG A 45 17.321 16.392 24.904 1.00 2.12 N ATOM 355 CZ ARG A 45 17.978 15.339 25.431 1.00 2.48 C ATOM 356 NH1 ARG A 45 18.859 14.697 24.686 1.00 6.84 N ATOM 357 NH2 ARG A 45 17.739 14.939 26.688 1.00 6.84 N ATOM 358 N ASN A 46 15.059 21.078 23.488 1.00 5.27 N ATOM 359 CA ASN A 46 15.139 22.458 23.991 1.00 8.37 C ATOM 360 C ASN A 46 16.438 22.403 24.798 1.00 2.50 C ATOM 361 O ASN A 46 16.930 21.310 25.152 1.00 4.06 O ATOM 362 CB ASN A 46 13.872 22.785 24.804 1.00 2.72 C ATOM 363 CG ASN A 46 12.622 22.563 23.993 1.00 6.18 C ATOM 364 OD1 ASN A 46 11.811 21.517 24.416 1.00 2.77 O ATOM 365 ND2 ASN A 46 12.323 23.186 22.990 1.00 2.77 N ATOM 366 N THR A 47 16.955 23.591 25.071 1.00 3.53 N ATOM 367 CA THR A 47 18.089 23.781 25.985 1.00 3.35 C ATOM 368 C THR A 47 18.033 23.179 27.389 1.00 3.34 C ATOM 369 O THR A 47 19.054 22.698 27.926 1.00 4.53 O ATOM 370 CB THR A 47 18.295 25.300 26.142 1.00 5.41 C ATOM 371 OG1 THR A 47 16.973 25.822 26.222 1.00 5.89 O ATOM 372 CG2 THR A 47 19.031 25.906 24.978 1.00 4.55 C ATOM 373 N ASP A 48 16.833 23.217 27.945 1.00 5.52 N ATOM 374 CA ASP A 48 16.589 22.875 29.352 1.00 3.73 C ATOM 375 C ASP A 48 16.526 21.351 29.452 1.00 8.35 C ATOM 376 O ASP A 48 16.390 20.782 30.557 1.00 7.78 O ATOM 377 CB ASP A 48 15.276 23.535 29.824 1.00 4.73 C ATOM 378 CG ASP A 48 14.071 22.773 29.335 1.00 10.39 C ATOM 379 OD1 ASP A 48 14.147 22.307 28.029 1.00 5.66 O ATOM 380 OD2 ASP A 48 13.049 22.600 29.976 1.00 5.66 O ATOM 381 N GLY A 49 16.632 20.730 28.289 1.00 8.09 N ATOM 382 CA GLY A 49 16.855 19.284 28.170 1.00 5.02 C ATOM 383 C GLY A 49 15.577 18.485 27.913 1.00 5.63 C ATOM 384 O GLY A 49 15.623 17.270 27.623 1.00 8.90 O ATOM 385 N SER A 50 14.466 19.197 28.022 1.00 6.91 N ATOM 386 CA SER A 50 13.145 18.685 27.636 1.00 6.54 C ATOM 387 C SER A 50 13.154 18.555 26.113 1.00 8.20 C ATOM 388 O SER A 50 14.056 19.080 25.425 1.00 9.56 O ATOM 389 CB SER A 50 12.058 19.630 28.098 1.00 7.28 C ATOM 390 OG SER A 50 11.849 20.696 27.176 1.00 9.04 O ATOM 391 N THR A 51 12.140 17.859 25.625 1.00 5.83 N ATOM 392 CA THR A 51 11.971 17.581 24.194 1.00 9.37 C ATOM 393 C THR A 51 10.488 17.811 23.903 1.00 5.22 C ATOM 394 O THR A 51 9.621 17.618 24.782 1.00 10.11 O ATOM 395 CB THR A 51 12.454 16.138 23.951 1.00 5.87 C ATOM 396 OG1 THR A 51 13.870 16.220 24.073 1.00 5.90 O ATOM 397 CG2 THR A 51 12.071 15.626 22.589 1.00 3.97 C ATOM 398 N ASP A 52 10.237 18.215 22.668 1.00 5.63 N ATOM 399 CA ASP A 52 8.885 18.518 22.183 1.00 6.94 C ATOM 400 C ASP A 52 8.480 17.351 21.281 1.00 9.14 C ATOM 401 O ASP A 52 9.300 16.825 20.499 1.00 9.64 O ATOM 402 CB ASP A 52 8.895 19.867 21.433 1.00 6.00 C ATOM 403 CG ASP A 52 8.864 21.028 22.391 1.00 7.92 C ATOM 404 OD1 ASP A 52 8.977 20.936 23.601 1.00 5.30 O ATOM 405 OD2 ASP A 52 8.778 22.114 21.885 1.00 5.30 O ATOM 406 N TYR A 53 7.216 16.983 21.413 1.00 7.53 N ATOM 407 CA TYR A 53 6.636 15.841 20.700 1.00 6.01 C ATOM 408 C TYR A 53 5.255 15.835 20.044 1.00 7.84 C ATOM 409 O TYR A 53 4.249 16.258 20.653 1.00 7.57 O ATOM 410 CB TYR A 53 6.580 14.636 21.655 1.00 5.06 C ATOM 411 CG TYR A 53 7.876 14.229 22.371 1.00 9.86 C ATOM 412 CD1 TYR A 53 8.556 13.089 21.907 1.00 7.81 C ATOM 413 CD2 TYR A 53 8.325 14.899 23.477 1.00 7.89 C ATOM 414 CE1 TYR A 53 9.781 12.687 22.586 1.00 7.56 C ATOM 415 CE2 TYR A 53 9.523 14.512 24.151 1.00 5.96 C ATOM 416 CZ TYR A 53 10.185 13.372 23.677 1.00 8.81 C ATOM 417 OH TYR A 53 11.330 12.977 24.335 1.00 8.66 O ATOM 418 N GLY A 54 5.243 15.343 18.816 1.00 8.84 N ATOM 419 CA GLY A 54 4.046 15.335 17.966 1.00 6.30 C ATOM 420 C GLY A 54 3.699 16.443 16.974 1.00 7.27 C ATOM 421 O GLY A 54 4.511 17.358 16.721 1.00 6.69 O ATOM 422 N ILE A 55 2.493 16.333 16.441 1.00 6.43 N ATOM 423 CA ILE A 55 1.911 17.349 15.555 1.00 4.03 C ATOM 424 C ILE A 55 1.722 18.713 16.221 1.00 8.54 C ATOM 425 O ILE A 55 1.801 19.770 15.558 1.00 10.00 O ATOM 426 CB ILE A 55 0.510 16.931 15.043 1.00 8.31 C ATOM 427 CG1 ILE A 55 0.118 17.636 13.716 1.00 5.01 C ATOM 428 CG2 ILE A 55 -0.370 17.234 16.259 1.00 4.29 C ATOM 429 CD1 ILE A 55 0.371 16.778 12.455 1.00 7.30 C ATOM 430 N LEU A 56 1.481 18.652 17.521 1.00 8.46 N ATOM 431 CA LEU A 56 1.284 19.842 18.359 1.00 5.81 C ATOM 432 C LEU A 56 2.435 20.174 19.310 1.00 7.44 C ATOM 433 O LEU A 56 2.329 21.087 20.156 1.00 9.20 O ATOM 434 CB LEU A 56 0.019 19.675 19.223 1.00 5.96 C ATOM 435 CG LEU A 56 -1.177 20.548 18.907 1.00 7.67 C ATOM 436 CD1 LEU A 56 -0.984 21.197 17.557 1.00 6.69 C ATOM 437 CD2 LEU A 56 -2.447 19.731 18.907 1.00 6.69 C ATOM 438 N GLN A 57 3.511 19.421 19.139 1.00 7.93 N ATOM 439 CA GLN A 57 4.742 19.591 19.921 1.00 5.51 C ATOM 440 C GLN A 57 4.622 19.805 21.431 1.00 7.63 C ATOM 441 O GLN A 57 5.078 20.834 21.974 1.00 10.99 O ATOM 442 CB GLN A 57 5.494 20.766 19.362 1.00 2.73 C ATOM 443 CG GLN A 57 6.092 20.502 18.047 1.00 6.64 C ATOM 444 CD GLN A 57 7.256 19.501 18.049 1.00 9.13 C ATOM 445 OE1 GLN A 57 8.421 19.929 18.351 1.00 8.27 O ATOM 446 NE2 GLN A 57 6.999 18.283 17.812 1.00 8.27 N ATOM 447 N ILE A 58 4.010 18.821 22.069 1.00 6.69 N ATOM 448 CA ILE A 58 3.805 18.812 23.524 1.00 6.33 C ATOM 449 C ILE A 58 5.124 18.505 24.233 1.00 5.54 C ATOM 450 O ILE A 58 5.874 17.588 23.832 1.00 8.52 O ATOM 451 CB ILE A 58 2.770 17.741 23.951 1.00 8.39 C ATOM 452 CG1 ILE A 58 1.357 17.995 23.356 1.00 6.57 C ATOM 453 CG2 ILE A 58 2.882 17.790 25.476 1.00 2.15 C ATOM 454 CD1 ILE A 58 0.672 16.722 22.809 1.00 4.26 C ATOM 455 N ASN A 59 5.370 19.282 25.278 1.00 8.24 N ATOM 456 CA ASN A 59 6.598 19.187 26.079 1.00 6.51 C ATOM 457 C ASN A 59 6.657 18.098 27.150 1.00 6.39 C ATOM 458 O ASN A 59 5.646 17.797 27.821 1.00 1.57 O ATOM 459 CB ASN A 59 6.850 20.529 26.799 1.00 5.35 C ATOM 460 CG ASN A 59 8.304 20.695 27.156 1.00 7.04 C ATOM 461 OD1 ASN A 59 8.624 20.463 28.488 1.00 3.38 O ATOM 462 ND2 ASN A 59 9.173 21.064 26.386 1.00 3.38 N ATOM 463 N SER A 60 7.849 17.536 27.285 1.00 7.46 N ATOM 464 CA SER A 60 8.135 16.486 28.270 1.00 6.18 C ATOM 465 C SER A 60 8.459 16.829 29.725 1.00 7.98 C ATOM 466 O SER A 60 8.570 15.936 30.589 1.00 4.07 O ATOM 467 CB SER A 60 9.328 15.666 27.832 1.00 7.23 C ATOM 468 OG SER A 60 10.549 16.386 27.956 1.00 6.41 O ATOM 469 N ARG A 61 8.597 18.126 29.957 1.00 4.65 N ATOM 470 CA ARG A 61 8.935 18.674 31.277 1.00 5.48 C ATOM 471 C ARG A 61 7.669 18.679 32.136 1.00 4.46 C ATOM 472 O ARG A 61 7.734 18.586 33.380 1.00 3.84 O ATOM 473 CB ARG A 61 9.490 20.107 31.162 1.00 5.80 C ATOM 474 CG ARG A 61 9.442 20.917 32.471 1.00 7.33 C ATOM 475 CD ARG A 61 10.786 21.568 32.730 1.00 2.02 C ATOM 476 NE ARG A 61 11.028 21.726 34.173 1.00 3.43 N ATOM 477 CZ ARG A 61 12.197 22.170 34.684 1.00 2.80 C ATOM 478 NH1 ARG A 61 13.261 22.214 33.902 1.00 4.98 N ATOM 479 NH2 ARG A 61 12.286 22.554 35.966 1.00 4.98 N ATOM 480 N TRP A 62 6.547 18.783 31.442 1.00 5.29 N ATOM 481 CA TRP A 62 5.215 18.747 32.059 1.00 6.39 C ATOM 482 C TRP A 62 4.042 17.836 31.698 1.00 4.44 C ATOM 483 O TRP A 62 3.345 17.298 32.585 1.00 6.04 O ATOM 484 CB TRP A 62 4.583 20.134 31.943 1.00 6.09 C ATOM 485 CG TRP A 62 5.548 21.368 32.081 1.00 4.17 C ATOM 486 CD1 TRP A 62 6.265 21.993 31.136 1.00 2.78 C ATOM 487 CD2 TRP A 62 5.785 22.088 33.256 1.00 6.50 C ATOM 488 NE1 TRP A 62 7.026 23.073 31.736 1.00 4.73 N ATOM 489 CE2 TRP A 62 6.699 23.142 32.967 1.00 3.83 C ATOM 490 CE3 TRP A 62 5.313 21.940 34.540 1.00 1.93 C ATOM 491 CZ2 TRP A 62 7.172 24.076 33.893 1.00 0.59 C ATOM 492 CZ3 TRP A 62 5.807 22.879 35.470 1.00 5.82 C ATOM 493 CH2 TRP A 62 6.664 23.922 35.148 1.00 2.80 C ATOM 494 N TRP A 63 3.858 17.685 30.396 1.00 5.79 N ATOM 495 CA TRP A 63 2.811 16.826 29.828 1.00 4.13 C ATOM 496 C TRP A 63 2.897 15.321 29.588 1.00 7.49 C ATOM 497 O TRP A 63 1.878 14.599 29.652 1.00 5.75 O ATOM 498 CB TRP A 63 2.437 17.358 28.444 1.00 2.76 C ATOM 499 CG TRP A 63 2.327 18.899 28.741 1.00 7.71 C ATOM 500 CD1 TRP A 63 3.075 19.908 28.273 1.00 6.23 C ATOM 501 CD2 TRP A 63 1.350 19.506 29.537 1.00 6.86 C ATOM 502 NE1 TRP A 63 2.614 21.162 28.840 1.00 5.13 N ATOM 503 CE2 TRP A 63 1.578 20.913 29.541 1.00 7.94 C ATOM 504 CE3 TRP A 63 0.296 18.994 30.258 1.00 5.33 C ATOM 505 CZ2 TRP A 63 0.802 21.854 30.226 1.00 6.15 C ATOM 506 CZ3 TRP A 63 -0.472 19.949 30.956 1.00 4.58 C ATOM 507 CH2 TRP A 63 -0.251 21.318 30.905 1.00 5.00 C ATOM 508 N CYS A 64 4.119 14.885 29.323 1.00 6.23 N ATOM 509 CA CYS A 64 4.418 13.486 28.994 1.00 5.07 C ATOM 510 C CYS A 64 5.827 13.025 29.375 1.00 3.87 C ATOM 511 O CYS A 64 6.794 13.816 29.342 1.00 3.90 O ATOM 512 CB CYS A 64 4.294 13.175 27.342 1.00 5.74 C ATOM 513 SG CYS A 64 5.622 13.979 26.390 1.00 16.82 S ATOM 514 N ASN A 65 5.903 11.750 29.722 1.00 7.32 N ATOM 515 CA ASN A 65 7.171 11.074 30.027 1.00 6.52 C ATOM 516 C ASN A 65 7.861 10.440 28.817 1.00 3.90 C ATOM 517 O ASN A 65 7.263 9.613 28.095 1.00 9.86 O ATOM 518 CB ASN A 65 6.930 9.969 31.078 1.00 2.80 C ATOM 519 CG ASN A 65 8.230 9.393 31.577 1.00 4.52 C ATOM 520 OD1 ASN A 65 9.190 10.051 31.935 1.00 4.94 O ATOM 521 ND2 ASN A 65 8.264 8.196 31.668 1.00 4.94 N ATOM 522 N ASP A 66 9.109 10.845 28.633 1.00 3.36 N ATOM 523 CA ASP A 66 10.020 10.221 27.666 1.00 5.57 C ATOM 524 C ASP A 66 11.235 9.653 28.403 1.00 7.41 C ATOM 525 O ASP A 66 12.226 9.222 27.775 1.00 7.13 O ATOM 526 CB ASP A 66 10.454 11.267 26.615 1.00 5.86 C ATOM 527 CG ASP A 66 11.270 12.368 27.240 1.00 7.87 C ATOM 528 OD1 ASP A 66 11.334 12.350 28.628 1.00 8.77 O ATOM 529 OD2 ASP A 66 11.807 13.272 26.625 1.00 8.77 O ATOM 530 N GLY A 67 11.120 9.664 29.722 1.00 5.92 N ATOM 531 CA GLY A 67 12.121 9.074 30.620 1.00 6.19 C ATOM 532 C GLY A 67 13.574 9.550 30.676 1.00 6.38 C ATOM 533 O GLY A 67 14.460 8.855 31.218 1.00 6.50 O ATOM 534 N ARG A 68 13.778 10.731 30.114 1.00 4.00 N ATOM 535 CA ARG A 68 15.050 11.459 30.212 1.00 6.96 C ATOM 536 C ARG A 68 14.960 12.972 30.420 1.00 8.21 C ATOM 537 O ARG A 68 15.933 13.716 30.169 1.00 7.11 O ATOM 538 CB ARG A 68 15.898 11.276 28.936 1.00 7.03 C ATOM 539 CG ARG A 68 15.316 11.957 27.682 1.00 5.43 C ATOM 540 CD ARG A 68 16.417 12.212 26.671 1.00 6.18 C ATOM 541 NE ARG A 68 15.861 12.668 25.386 1.00 8.14 N ATOM 542 CZ ARG A 68 16.611 13.225 24.409 1.00 4.50 C ATOM 543 NH1 ARG A 68 17.949 13.225 24.485 1.00 6.05 N ATOM 544 NH2 ARG A 68 16.004 13.766 23.367 1.00 6.05 N ATOM 545 N THR A 69 13.789 13.386 30.881 1.00 5.55 N ATOM 546 CA THR A 69 13.568 14.735 31.414 1.00 3.36 C ATOM 547 C THR A 69 13.175 14.685 32.890 1.00 5.30 C ATOM 548 O THR A 69 12.008 14.402 33.238 1.00 6.25 O ATOM 549 CB THR A 69 12.474 15.390 30.549 1.00 5.91 C ATOM 550 OG1 THR A 69 12.802 15.001 29.219 1.00 7.37 O ATOM 551 CG2 THR A 69 12.465 16.885 30.672 1.00 5.60 C ATOM 552 N PRO A 70 14.165 14.968 33.722 1.00 9.20 N ATOM 553 CA PRO A 70 14.000 15.011 35.179 1.00 1.75 C ATOM 554 C PRO A 70 13.077 15.708 36.179 1.00 4.96 C ATOM 555 O PRO A 70 12.640 15.106 37.183 1.00 4.82 O ATOM 556 CB PRO A 70 15.371 15.319 35.687 1.00 4.10 C ATOM 557 CG PRO A 70 16.308 15.083 34.519 1.00 2.81 C ATOM 558 CD PRO A 70 15.472 15.433 33.293 1.00 7.66 C ATOM 559 N GLY A 71 12.800 16.960 35.870 1.00 2.27 N ATOM 560 CA GLY A 71 11.889 17.797 36.660 1.00 3.74 C ATOM 561 C GLY A 71 10.548 17.095 36.451 1.00 8.15 C ATOM 562 O GLY A 71 9.658 17.126 37.328 1.00 3.65 O ATOM 563 N SER A 72 10.443 16.472 35.290 1.00 4.04 N ATOM 564 CA SER A 72 9.195 15.862 34.820 1.00 3.01 C ATOM 565 C SER A 72 7.912 15.477 35.556 1.00 6.25 C ATOM 566 O SER A 72 7.890 14.518 36.357 1.00 6.37 O ATOM 567 CB SER A 72 9.473 14.512 34.199 1.00 4.23 C ATOM 568 OG SER A 72 9.506 14.574 32.777 1.00 3.61 O ATOM 569 N ARG A 73 6.871 16.234 35.258 1.00 7.96 N ATOM 570 CA ARG A 73 5.530 16.009 35.808 1.00 4.66 C ATOM 571 C ARG A 73 5.083 15.426 34.469 1.00 5.78 C ATOM 572 O ARG A 73 5.563 15.838 33.391 1.00 2.98 O ATOM 573 CB ARG A 73 4.895 17.327 36.289 1.00 4.04 C ATOM 574 CG ARG A 73 4.908 17.520 37.816 1.00 2.26 C ATOM 575 CD ARG A 73 5.304 18.941 38.158 1.00 1.15 C ATOM 576 NE ARG A 73 6.050 18.993 39.425 1.00 1.65 N ATOM 577 CZ ARG A 73 7.186 19.704 39.588 1.00 3.54 C ATOM 578 NH1 ARG A 73 7.776 20.306 38.546 1.00 1.25 N ATOM 579 NH2 ARG A 73 7.710 19.805 40.795 1.00 1.25 N ATOM 580 N ASN A 74 4.165 14.479 34.575 1.00 3.26 N ATOM 581 CA ASN A 74 3.595 13.783 33.416 1.00 3.30 C ATOM 582 C ASN A 74 2.086 13.965 33.577 1.00 7.29 C ATOM 583 O ASN A 74 1.339 12.990 33.806 1.00 5.81 O ATOM 584 CB ASN A 74 4.044 12.307 33.428 1.00 3.84 C ATOM 585 CG ASN A 74 3.302 11.497 32.398 1.00 4.29 C ATOM 586 OD1 ASN A 74 3.099 10.299 32.467 1.00 5.46 O ATOM 587 ND2 ASN A 74 2.768 12.220 31.338 1.00 5.46 N ATOM 588 N LEU A 75 1.679 15.217 33.447 1.00 6.81 N ATOM 589 CA LEU A 75 0.284 15.630 33.645 1.00 5.40 C ATOM 590 C LEU A 75 -0.742 15.016 32.694 1.00 5.96 C ATOM 591 O LEU A 75 -1.950 14.938 33.010 1.00 7.05 O ATOM 592 CB LEU A 75 0.161 17.155 33.497 1.00 4.99 C ATOM 593 CG LEU A 75 0.412 18.008 34.722 1.00 4.93 C ATOM 594 CD1 LEU A 75 -0.389 17.470 35.883 1.00 2.72 C ATOM 595 CD2 LEU A 75 1.880 18.016 35.068 1.00 2.72 C ATOM 596 N CYS A 76 -0.231 14.589 31.551 1.00 5.89 N ATOM 597 CA CYS A 76 -1.035 13.954 30.501 1.00 6.31 C ATOM 598 C CYS A 76 -1.177 12.452 30.746 1.00 10.24 C ATOM 599 O CYS A 76 -2.044 11.780 30.146 1.00 5.94 O ATOM 600 CB CYS A 76 -1.300 14.441 29.129 1.00 6.64 C ATOM 601 SG CYS A 76 -1.502 16.173 28.624 1.00 16.02 S ATOM 602 N ASN A 77 -0.320 11.967 31.631 1.00 5.79 N ATOM 603 CA ASN A 77 -0.117 10.529 31.844 1.00 7.20 C ATOM 604 C ASN A 77 -0.018 9.734 30.542 1.00 5.54 C ATOM 605 O ASN A 77 -0.803 8.791 30.300 1.00 8.35 O ATOM 606 CB ASN A 77 -1.279 9.963 32.688 1.00 6.44 C ATOM 607 CG ASN A 77 -0.801 9.493 34.036 1.00 4.41 C ATOM 608 OD1 ASN A 77 -0.102 8.293 34.038 1.00 3.41 O ATOM 609 ND2 ASN A 77 -1.033 10.053 35.091 1.00 3.41 N ATOM 610 N ILE A 78 0.953 10.135 29.739 1.00 5.45 N ATOM 611 CA ILE A 78 1.253 9.486 28.457 1.00 4.68 C ATOM 612 C ILE A 78 2.780 9.491 28.374 1.00 6.97 C ATOM 613 O ILE A 78 3.451 10.415 28.882 1.00 6.38 O ATOM 614 CB ILE A 78 0.631 10.254 27.265 1.00 8.06 C ATOM 615 CG1 ILE A 78 0.124 9.312 26.139 1.00 4.79 C ATOM 616 CG2 ILE A 78 1.762 11.213 26.889 1.00 4.09 C ATOM 617 CD1 ILE A 78 -0.732 8.132 26.652 1.00 4.11 C ATOM 618 N PRO A 79 3.288 8.456 27.727 1.00 7.99 N ATOM 619 CA PRO A 79 4.713 8.330 27.412 1.00 3.81 C ATOM 620 C PRO A 79 4.640 9.231 26.179 1.00 9.61 C ATOM 621 O PRO A 79 3.689 9.144 25.372 1.00 5.11 O ATOM 622 CB PRO A 79 4.921 6.854 27.259 1.00 5.66 C ATOM 623 CG PRO A 79 3.592 6.123 27.239 1.00 3.52 C ATOM 624 CD PRO A 79 2.569 7.202 27.578 1.00 5.00 C ATOM 625 N CYS A 80 5.656 10.072 26.066 1.00 7.25 N ATOM 626 CA CYS A 80 5.808 10.997 24.936 1.00 7.22 C ATOM 627 C CYS A 80 5.689 10.383 23.542 1.00 9.39 C ATOM 628 O CYS A 80 5.102 10.988 22.618 1.00 7.33 O ATOM 629 CB CYS A 80 7.115 11.720 25.134 1.00 8.90 C ATOM 630 SG CYS A 80 7.226 12.794 26.597 1.00 15.69 S ATOM 631 N SER A 81 6.248 9.189 23.429 1.00 9.69 N ATOM 632 CA SER A 81 6.261 8.425 22.176 1.00 7.60 C ATOM 633 C SER A 81 4.863 8.258 21.581 1.00 6.67 C ATOM 634 O SER A 81 4.681 8.280 20.344 1.00 9.20 O ATOM 635 CB SER A 81 6.845 7.049 22.404 1.00 7.70 C ATOM 636 OG SER A 81 6.167 6.345 23.439 1.00 6.77 O ATOM 637 N ALA A 82 3.908 8.100 22.483 1.00 4.97 N ATOM 638 CA ALA A 82 2.489 7.969 22.134 1.00 8.23 C ATOM 639 C ALA A 82 1.956 9.124 21.287 1.00 7.81 C ATOM 640 O ALA A 82 0.979 8.967 20.523 1.00 4.56 O ATOM 641 CB ALA A 82 1.689 7.993 23.446 1.00 6.38 C ATOM 642 N LEU A 83 2.621 10.258 21.443 1.00 9.73 N ATOM 643 CA LEU A 83 2.138 11.547 20.933 1.00 8.38 C ATOM 644 C LEU A 83 2.577 11.634 19.471 1.00 8.14 C ATOM 645 O LEU A 83 2.140 12.532 18.718 1.00 8.31 O ATOM 646 CB LEU A 83 2.726 12.699 21.769 1.00 5.05 C ATOM 647 CG LEU A 83 2.205 12.890 23.178 1.00 9.54 C ATOM 648 CD1 LEU A 83 2.776 14.162 23.757 1.00 6.61 C ATOM 649 CD2 LEU A 83 0.698 12.954 23.181 1.00 6.61 C ATOM 650 N LEU A 84 3.430 10.689 19.107 1.00 7.28 N ATOM 651 CA LEU A 84 3.978 10.584 17.749 1.00 7.18 C ATOM 652 C LEU A 84 3.378 9.654 16.695 1.00 5.88 C ATOM 653 O LEU A 84 3.826 9.627 15.528 1.00 6.40 O ATOM 654 CB LEU A 84 5.452 10.142 17.808 1.00 5.54 C ATOM 655 CG LEU A 84 6.401 10.950 18.668 1.00 8.53 C ATOM 656 CD1 LEU A 84 7.811 10.448 18.470 1.00 5.00 C ATOM 657 CD2 LEU A 84 6.321 12.414 18.312 1.00 5.00 C ATOM 658 N SER A 85 2.372 8.917 17.136 1.00 6.53 N ATOM 659 CA SER A 85 1.743 7.858 16.338 1.00 7.25 C ATOM 660 C SER A 85 0.811 8.628 15.401 1.00 4.02 C ATOM 661 O SER A 85 0.515 9.822 15.624 1.00 8.63 O ATOM 662 CB SER A 85 1.006 6.889 17.235 1.00 3.82 C ATOM 663 OG SER A 85 -0.358 7.258 17.414 1.00 5.20 O ATOM 664 N SER A 86 0.370 7.917 14.377 1.00 5.75 N ATOM 665 CA SER A 86 -0.493 8.474 13.328 1.00 10.23 C ATOM 666 C SER A 86 -1.961 8.775 13.630 1.00 10.38 C ATOM 667 O SER A 86 -2.652 9.464 12.847 1.00 2.62 O ATOM 668 CB SER A 86 -0.544 7.540 12.138 1.00 5.61 C ATOM 669 OG SER A 86 0.714 6.920 11.891 1.00 2.24 O ATOM 670 N ASP A 87 -2.397 8.252 14.765 1.00 7.91 N ATOM 671 CA ASP A 87 -3.703 8.580 15.349 1.00 7.96 C ATOM 672 C ASP A 87 -3.278 9.708 16.290 1.00 7.48 C ATOM 673 O ASP A 87 -2.358 9.544 17.119 1.00 5.44 O ATOM 674 CB ASP A 87 -4.296 7.326 16.026 1.00 4.77 C ATOM 675 CG ASP A 87 -5.651 7.609 16.619 1.00 8.20 C ATOM 676 OD1 ASP A 87 -5.868 8.414 17.507 1.00 5.17 O ATOM 677 OD2 ASP A 87 -6.570 7.022 16.116 1.00 5.17 O ATOM 678 N ILE A 88 -3.968 10.827 16.137 1.00 7.35 N ATOM 679 CA ILE A 88 -3.676 12.058 16.882 1.00 6.31 C ATOM 680 C ILE A 88 -4.476 12.191 18.179 1.00 11.89 C ATOM 681 O ILE A 88 -4.449 13.246 18.848 1.00 9.48 O ATOM 682 CB ILE A 88 -3.999 13.324 16.050 1.00 7.40 C ATOM 683 CG1 ILE A 88 -5.520 13.503 15.790 1.00 3.39 C ATOM 684 CG2 ILE A 88 -3.120 13.117 14.814 1.00 5.69 C ATOM 685 CD1 ILE A 88 -5.893 14.881 15.197 1.00 7.34 C ATOM 686 N THR A 89 -5.166 11.108 18.500 1.00 6.35 N ATOM 687 CA THR A 89 -6.137 11.073 19.601 1.00 6.05 C ATOM 688 C THR A 89 -5.518 11.514 20.928 1.00 6.93 C ATOM 689 O THR A 89 -6.071 12.379 21.641 1.00 8.34 O ATOM 690 CB THR A 89 -6.676 9.632 19.684 1.00 6.38 C ATOM 691 OG1 THR A 89 -7.389 9.456 18.464 1.00 7.23 O ATOM 692 CG2 THR A 89 -7.590 9.426 20.862 1.00 5.18 C ATOM 693 N ALA A 90 -4.378 10.908 21.220 1.00 9.43 N ATOM 694 CA ALA A 90 -3.609 11.188 22.439 1.00 7.16 C ATOM 695 C ALA A 90 -3.093 12.623 22.544 1.00 7.06 C ATOM 696 O ALA A 90 -3.062 13.219 23.642 1.00 11.16 O ATOM 697 CB ALA A 90 -2.366 10.285 22.407 1.00 4.15 C ATOM 698 N SER A 91 -2.704 13.142 21.390 1.00 7.90 N ATOM 699 CA SER A 91 -2.271 14.538 21.243 1.00 5.16 C ATOM 700 C SER A 91 -3.335 15.615 21.450 1.00 5.99 C ATOM 701 O SER A 91 -3.088 16.646 22.107 1.00 6.67 O ATOM 702 CB SER A 91 -1.709 14.771 19.858 1.00 9.90 C ATOM 703 OG SER A 91 -0.485 14.073 19.653 1.00 5.99 O ATOM 704 N VAL A 92 -4.499 15.339 20.885 1.00 7.38 N ATOM 705 CA VAL A 92 -5.696 16.168 21.065 1.00 9.47 C ATOM 706 C VAL A 92 -6.000 16.144 22.563 1.00 8.29 C ATOM 707 O VAL A 92 -6.050 17.201 23.229 1.00 5.11 O ATOM 708 CB VAL A 92 -6.839 15.621 20.222 1.00 6.94 C ATOM 709 CG1 VAL A 92 -8.256 15.940 20.758 1.00 5.20 C ATOM 710 CG2 VAL A 92 -6.685 15.967 18.764 1.00 5.20 C ATOM 711 N ASN A 93 -6.191 14.933 23.056 1.00 6.83 N ATOM 712 CA ASN A 93 -6.649 14.687 24.429 1.00 8.22 C ATOM 713 C ASN A 93 -5.798 15.516 25.392 1.00 8.44 C ATOM 714 O ASN A 93 -6.318 16.114 26.357 1.00 6.51 O ATOM 715 CB ASN A 93 -6.543 13.180 24.747 1.00 5.42 C ATOM 716 CG ASN A 93 -7.855 12.475 24.517 1.00 6.22 C ATOM 717 OD1 ASN A 93 -8.905 13.286 24.106 1.00 4.86 O ATOM 718 ND2 ASN A 93 -8.054 11.291 24.719 1.00 4.86 N ATOM 719 N CYS A 94 -4.507 15.530 25.098 1.00 6.26 N ATOM 720 CA CYS A 94 -3.491 16.132 25.968 1.00 5.76 C ATOM 721 C CYS A 94 -3.460 17.640 25.717 1.00 7.19 C ATOM 722 O CYS A 94 -3.312 18.448 26.658 1.00 7.24 O ATOM 723 CB CYS A 94 -2.104 15.661 25.614 1.00 7.70 C ATOM 724 SG CYS A 94 -0.751 16.286 26.655 1.00 17.52 S ATOM 725 N ALA A 95 -3.608 17.978 24.446 1.00 8.04 N ATOM 726 CA ALA A 95 -3.642 19.372 23.984 1.00 4.76 C ATOM 727 C ALA A 95 -4.806 20.146 24.604 1.00 7.51 C ATOM 728 O ALA A 95 -4.728 21.376 24.808 1.00 9.40 O ATOM 729 CB ALA A 95 -3.884 19.371 22.467 1.00 8.34 C ATOM 730 N LYS A 96 -5.859 19.397 24.892 1.00 5.34 N ATOM 731 CA LYS A 96 -7.077 19.930 25.515 1.00 3.69 C ATOM 732 C LYS A 96 -6.787 20.418 26.936 1.00 7.22 C ATOM 733 O LYS A 96 -7.221 21.518 27.341 1.00 7.12 O ATOM 734 CB LYS A 96 -8.173 18.872 25.577 1.00 5.18 C ATOM 735 CG LYS A 96 -8.864 18.597 24.253 1.00 6.16 C ATOM 736 CD LYS A 96 -10.303 18.152 24.471 1.00 6.55 C ATOM 737 CE LYS A 96 -10.943 17.676 23.175 1.00 2.93 C ATOM 738 NZ LYS A 96 -11.372 16.265 23.285 1.00 5.32 N ATOM 739 N LYS A 97 -6.053 19.583 27.655 1.00 7.90 N ATOM 740 CA LYS A 97 -5.564 19.899 29.003 1.00 6.12 C ATOM 741 C LYS A 97 -4.650 21.123 29.083 1.00 7.79 C ATOM 742 O LYS A 97 -4.714 21.914 30.048 1.00 8.52 O ATOM 743 CB LYS A 97 -4.777 18.734 29.592 1.00 3.20 C ATOM 744 CG LYS A 97 -5.631 17.629 30.185 1.00 3.57 C ATOM 745 CD LYS A 97 -5.012 17.090 31.470 1.00 4.69 C ATOM 746 CE LYS A 97 -6.040 16.365 32.325 1.00 5.34 C ATOM 747 NZ LYS A 97 -5.848 16.676 33.758 1.00 3.61 N ATOM 748 N ILE A 98 -3.822 21.247 28.057 1.00 6.49 N ATOM 749 CA ILE A 98 -2.695 22.188 28.043 1.00 7.09 C ATOM 750 C ILE A 98 -3.443 23.520 27.957 1.00 8.85 C ATOM 751 O ILE A 98 -3.258 24.420 28.803 1.00 0.96 O ATOM 752 CB ILE A 98 -1.759 21.946 26.833 1.00 10.99 C ATOM 753 CG1 ILE A 98 -0.719 20.822 27.091 1.00 5.84 C ATOM 754 CG2 ILE A 98 -1.197 23.348 26.589 1.00 6.76 C ATOM 755 CD1 ILE A 98 -0.368 19.997 25.832 1.00 5.68 C ATOM 756 N VAL A 99 -4.277 23.605 26.933 1.00 4.98 N ATOM 757 CA VAL A 99 -5.126 24.777 26.684 1.00 4.35 C ATOM 758 C VAL A 99 -6.220 25.287 27.623 1.00 6.26 C ATOM 759 O VAL A 99 -6.579 26.485 27.604 1.00 4.54 O ATOM 760 CB VAL A 99 -5.881 24.599 25.374 1.00 4.58 C ATOM 761 CG1 VAL A 99 -7.242 23.869 25.500 1.00 4.51 C ATOM 762 CG2 VAL A 99 -5.991 25.888 24.602 1.00 4.51 C ATOM 763 N SER A 100 -6.719 24.361 28.426 1.00 6.28 N ATOM 764 CA SER A 100 -7.754 24.640 29.429 1.00 6.27 C ATOM 765 C SER A 100 -7.148 25.347 30.644 1.00 6.62 C ATOM 766 O SER A 100 -7.856 26.042 31.404 1.00 2.15 O ATOM 767 CB SER A 100 -8.411 23.354 29.880 1.00 7.28 C ATOM 768 OG SER A 100 -9.394 22.901 28.952 1.00 2.06 O ATOM 769 N ASP A 101 -5.846 25.151 30.791 1.00 5.73 N ATOM 770 CA ASP A 101 -5.195 25.028 32.101 1.00 6.23 C ATOM 771 C ASP A 101 -4.688 26.407 32.526 1.00 5.68 C ATOM 772 O ASP A 101 -4.196 26.592 33.660 1.00 3.17 O ATOM 773 CB ASP A 101 -4.040 24.008 32.010 1.00 2.31 C ATOM 774 CG ASP A 101 -4.250 23.038 30.875 1.00 1.84 C ATOM 775 OD1 ASP A 101 -5.315 22.517 30.592 1.00 1.65 O ATOM 776 OD2 ASP A 101 -3.289 22.831 30.187 1.00 1.65 O ATOM 777 N GLY A 102 -4.827 27.343 31.600 1.00 6.06 N ATOM 778 CA GLY A 102 -4.564 28.766 31.850 1.00 6.78 C ATOM 779 C GLY A 102 -4.189 29.899 30.893 1.00 4.78 C ATOM 780 O GLY A 102 -4.797 30.990 30.915 1.00 4.70 O ATOM 781 N ASN A 103 -3.194 29.603 30.071 1.00 6.08 N ATOM 782 CA ASN A 103 -2.659 30.551 29.085 1.00 7.32 C ATOM 783 C ASN A 103 -3.235 30.404 27.676 1.00 7.20 C ATOM 784 O ASN A 103 -2.774 31.062 26.718 1.00 8.07 O ATOM 785 CB ASN A 103 -1.126 30.391 28.992 1.00 6.18 C ATOM 786 CG ASN A 103 -0.485 30.448 30.354 1.00 3.93 C ATOM 787 OD1 ASN A 103 -0.597 31.374 31.138 1.00 1.93 O ATOM 788 ND2 ASN A 103 0.126 29.467 30.680 1.00 1.93 N ATOM 789 N GLY A 104 -4.236 29.544 27.590 1.00 6.11 N ATOM 790 CA GLY A 104 -4.933 29.247 26.332 1.00 3.96 C ATOM 791 C GLY A 104 -3.781 28.789 25.437 1.00 8.85 C ATOM 792 O GLY A 104 -2.788 28.199 25.915 1.00 5.70 O ATOM 793 N MET A 105 -3.944 29.079 24.156 1.00 7.61 N ATOM 794 CA MET A 105 -2.996 28.667 23.113 1.00 5.88 C ATOM 795 C MET A 105 -1.664 29.416 23.044 1.00 7.15 C ATOM 796 O MET A 105 -0.854 29.206 22.114 1.00 7.92 O ATOM 797 CB MET A 105 -3.645 28.821 21.715 1.00 4.34 C ATOM 798 CG MET A 105 -4.905 27.990 21.606 1.00 7.08 C ATOM 799 SD MET A 105 -5.271 27.559 19.909 1.00 18.17 S ATOM 800 CE MET A 105 -3.740 26.779 19.481 1.00 6.97 C ATOM 801 N ASN A 106 -1.471 30.270 24.038 1.00 8.68 N ATOM 802 CA ASN A 106 -0.252 31.077 24.179 1.00 7.47 C ATOM 803 C ASN A 106 0.834 30.083 24.591 1.00 6.72 C ATOM 804 O ASN A 106 2.046 30.376 24.498 1.00 7.62 O ATOM 805 CB ASN A 106 -0.486 32.190 25.224 1.00 7.62 C ATOM 806 CG ASN A 106 -1.276 33.332 24.641 1.00 7.06 C ATOM 807 OD1 ASN A 106 -0.738 33.911 23.498 1.00 7.11 O ATOM 808 ND2 ASN A 106 -2.291 33.799 25.129 1.00 7.11 N ATOM 809 N ALA A 107 0.368 28.926 25.033 1.00 6.98 N ATOM 810 CA ALA A 107 1.231 27.860 25.559 1.00 5.10 C ATOM 811 C ALA A 107 2.097 27.357 24.404 1.00 8.17 C ATOM 812 O ALA A 107 3.119 26.669 24.616 1.00 5.18 O ATOM 813 CB ALA A 107 0.377 26.663 26.009 1.00 7.33 C ATOM 814 N TRP A 108 1.665 27.720 23.207 1.00 7.31 N ATOM 815 CA TRP A 108 2.358 27.366 21.961 1.00 9.28 C ATOM 816 C TRP A 108 3.015 28.582 21.305 1.00 5.67 C ATOM 817 O TRP A 108 2.361 29.343 20.558 1.00 7.48 O ATOM 818 CB TRP A 108 1.355 26.718 21.008 1.00 6.86 C ATOM 819 CG TRP A 108 0.976 25.223 21.328 1.00 5.39 C ATOM 820 CD1 TRP A 108 1.697 24.108 21.145 1.00 6.33 C ATOM 821 CD2 TRP A 108 -0.209 24.797 21.936 1.00 7.37 C ATOM 822 NE1 TRP A 108 0.928 22.954 21.572 1.00 4.99 N ATOM 823 CE2 TRP A 108 -0.166 23.379 22.073 1.00 7.20 C ATOM 824 CE3 TRP A 108 -1.317 25.481 22.381 1.00 7.15 C ATOM 825 CZ2 TRP A 108 -1.172 22.592 22.641 1.00 6.46 C ATOM 826 CZ3 TRP A 108 -2.333 24.676 22.939 1.00 5.13 C ATOM 827 CH2 TRP A 108 -2.242 23.301 23.098 1.00 2.03 C ATOM 828 N VAL A 109 4.298 28.728 21.599 1.00 8.54 N ATOM 829 CA VAL A 109 5.094 29.887 21.171 1.00 9.58 C ATOM 830 C VAL A 109 4.820 30.215 19.703 1.00 7.44 C ATOM 831 O VAL A 109 4.593 31.388 19.336 1.00 6.20 O ATOM 832 CB VAL A 109 6.575 29.603 21.382 1.00 4.40 C ATOM 833 CG1 VAL A 109 7.011 28.150 21.068 1.00 1.47 C ATOM 834 CG2 VAL A 109 7.449 30.625 20.703 1.00 1.47 C ATOM 835 N ALA A 110 4.844 29.162 18.902 1.00 8.96 N ATOM 836 CA ALA A 110 4.474 29.226 17.483 1.00 4.99 C ATOM 837 C ALA A 110 3.117 29.809 17.086 1.00 2.95 C ATOM 838 O ALA A 110 3.007 30.579 16.107 1.00 6.61 O ATOM 839 CB ALA A 110 4.465 27.760 17.017 1.00 4.32 C ATOM 840 N TRP A 111 2.117 29.427 17.865 1.00 7.57 N ATOM 841 CA TRP A 111 0.732 29.873 17.670 1.00 7.22 C ATOM 842 C TRP A 111 0.717 31.377 17.949 1.00 9.33 C ATOM 843 O TRP A 111 0.276 32.185 17.103 1.00 8.72 O ATOM 844 CB TRP A 111 -0.178 29.073 18.602 1.00 5.03 C ATOM 845 CG TRP A 111 -1.496 29.887 18.321 1.00 4.63 C ATOM 846 CD1 TRP A 111 -2.359 29.778 17.300 1.00 5.21 C ATOM 847 CD2 TRP A 111 -2.041 30.866 19.157 1.00 8.52 C ATOM 848 NE1 TRP A 111 -3.421 30.755 17.453 1.00 6.30 N ATOM 849 CE2 TRP A 111 -3.243 31.351 18.566 1.00 7.60 C ATOM 850 CE3 TRP A 111 -1.624 31.390 20.359 1.00 6.13 C ATOM 851 CZ2 TRP A 111 -4.071 32.336 19.114 1.00 5.88 C ATOM 852 CZ3 TRP A 111 -2.458 32.393 20.896 1.00 5.14 C ATOM 853 CH2 TRP A 111 -3.647 32.814 20.318 1.00 5.53 C ATOM 854 N ARG A 112 1.206 31.713 19.134 1.00 6.14 N ATOM 855 CA ARG A 112 1.321 33.104 19.591 1.00 7.16 C ATOM 856 C ARG A 112 1.993 34.098 18.643 1.00 13.00 C ATOM 857 O ARG A 112 1.458 35.195 18.374 1.00 5.49 O ATOM 858 CB ARG A 112 2.129 33.197 20.901 1.00 8.48 C ATOM 859 CG ARG A 112 2.323 34.631 21.428 1.00 4.24 C ATOM 860 CD ARG A 112 3.227 34.620 22.645 1.00 6.36 C ATOM 861 NE ARG A 112 3.352 33.262 23.200 1.00 6.55 N ATOM 862 CZ ARG A 112 4.533 32.711 23.554 1.00 1.38 C ATOM 863 NH1 ARG A 112 5.690 33.338 23.294 1.00 3.69 N ATOM 864 NH2 ARG A 112 4.535 31.543 24.171 1.00 3.69 N ATOM 865 N ASN A 113 3.152 33.682 18.156 1.00 7.37 N ATOM 866 CA ASN A 113 3.974 34.485 17.242 1.00 4.17 C ATOM 867 C ASN A 113 3.701 34.537 15.738 1.00 4.05 C ATOM 868 O ASN A 113 4.036 35.528 15.055 1.00 9.08 O ATOM 869 CB ASN A 113 5.448 34.033 17.339 1.00 2.99 C ATOM 870 CG ASN A 113 6.091 34.527 18.608 1.00 7.81 C ATOM 871 OD1 ASN A 113 5.666 35.439 19.295 1.00 6.54 O ATOM 872 ND2 ASN A 113 7.211 33.819 19.025 1.00 6.54 N ATOM 873 N ARG A 114 3.090 33.463 15.264 1.00 10.46 N ATOM 874 CA ARG A 114 2.707 33.315 13.854 1.00 8.35 C ATOM 875 C ARG A 114 1.272 33.006 13.425 1.00 9.44 C ATOM 876 O ARG A 114 0.968 32.904 12.216 1.00 7.58 O ATOM 877 CB ARG A 114 3.494 32.174 13.177 1.00 7.04 C ATOM 878 CG ARG A 114 4.864 31.879 13.816 1.00 4.86 C ATOM 879 CD ARG A 114 5.576 30.787 13.041 1.00 4.76 C ATOM 880 NE ARG A 114 5.894 31.230 11.674 1.00 10.02 N ATOM 881 CZ ARG A 114 6.600 30.482 10.797 1.00 3.54 C ATOM 882 NH1 ARG A 114 7.459 29.545 11.227 1.00 4.40 N ATOM 883 NH2 ARG A 114 6.427 30.680 9.502 1.00 4.40 N ATOM 884 N CYS A 115 0.424 32.870 14.433 1.00 3.86 N ATOM 885 CA CYS A 115 -0.977 32.469 14.254 1.00 5.72 C ATOM 886 C CYS A 115 -1.939 33.510 14.827 1.00 8.42 C ATOM 887 O CYS A 115 -2.800 34.059 14.105 1.00 10.34 O ATOM 888 CB CYS A 115 -1.473 31.102 14.660 1.00 8.91 C ATOM 889 SG CYS A 115 -0.692 29.682 13.829 1.00 17.65 S ATOM 890 N LYS A 116 -1.762 33.759 16.116 1.00 13.98 N ATOM 891 CA LYS A 116 -2.486 34.814 16.838 1.00 6.58 C ATOM 892 C LYS A 116 -2.683 36.087 16.014 1.00 9.01 C ATOM 893 O LYS A 116 -1.707 36.766 15.631 1.00 7.10 O ATOM 894 CB LYS A 116 -1.752 35.214 18.113 1.00 3.17 C ATOM 895 CG LYS A 116 -2.639 35.792 19.199 1.00 5.97 C ATOM 896 CD LYS A 116 -2.044 35.546 20.581 1.00 4.24 C ATOM 897 CE LYS A 116 -2.520 36.581 21.588 1.00 5.25 C ATOM 898 NZ LYS A 116 -1.714 36.521 22.827 1.00 7.60 N ATOM 899 N GLY A 117 -3.951 36.379 15.766 1.00 5.56 N ATOM 900 CA GLY A 117 -4.378 37.635 15.138 1.00 5.29 C ATOM 901 C GLY A 117 -4.172 37.815 13.634 1.00 4.38 C ATOM 902 O GLY A 117 -3.896 38.934 13.149 1.00 5.66 O ATOM 903 N THR A 118 -4.318 36.702 12.932 1.00 7.50 N ATOM 904 CA THR A 118 -4.023 36.614 11.496 1.00 5.50 C ATOM 905 C THR A 118 -5.438 36.035 11.459 1.00 8.63 C ATOM 906 O THR A 118 -6.058 35.778 12.513 1.00 8.51 O ATOM 907 CB THR A 118 -2.752 35.756 11.344 1.00 4.45 C ATOM 908 OG1 THR A 118 -3.207 34.423 11.555 1.00 7.81 O ATOM 909 CG2 THR A 118 -1.690 36.117 12.347 1.00 6.13 C ATOM 910 N ASP A 119 -5.909 35.841 10.237 1.00 7.42 N ATOM 911 CA ASP A 119 -7.293 35.432 9.966 1.00 3.26 C ATOM 912 C ASP A 119 -6.909 33.976 9.700 1.00 6.67 C ATOM 913 O ASP A 119 -6.432 33.626 8.599 1.00 8.90 O ATOM 914 CB ASP A 119 -7.860 36.269 8.799 1.00 3.54 C ATOM 915 CG ASP A 119 -8.096 35.418 7.580 1.00 6.73 C ATOM 916 OD1 ASP A 119 -9.160 35.320 6.994 1.00 1.85 O ATOM 917 OD2 ASP A 119 -7.128 34.853 7.148 1.00 1.85 O ATOM 918 N VAL A 120 -7.134 33.163 10.721 1.00 5.88 N ATOM 919 CA VAL A 120 -6.730 31.751 10.726 1.00 6.10 C ATOM 920 C VAL A 120 -7.663 30.801 9.977 1.00 5.79 C ATOM 921 O VAL A 120 -7.279 29.664 9.623 1.00 5.29 O ATOM 922 CB VAL A 120 -6.614 31.252 12.160 1.00 5.76 C ATOM 923 CG1 VAL A 120 -5.449 31.869 12.972 1.00 4.65 C ATOM 924 CG2 VAL A 120 -7.927 31.324 12.894 1.00 4.65 C ATOM 925 N GLN A 121 -8.870 31.296 9.750 1.00 5.19 N ATOM 926 CA GLN A 121 -9.825 30.681 8.823 1.00 6.02 C ATOM 927 C GLN A 121 -9.328 30.237 7.452 1.00 6.68 C ATOM 928 O GLN A 121 -9.892 29.314 6.827 1.00 5.82 O ATOM 929 CB GLN A 121 -10.949 31.655 8.600 1.00 6.94 C ATOM 930 CG GLN A 121 -11.879 31.743 9.729 1.00 1.72 C ATOM 931 CD GLN A 121 -13.137 32.586 9.474 1.00 0.91 C ATOM 932 OE1 GLN A 121 -14.225 32.236 10.048 1.00 2.30 O ATOM 933 NE2 GLN A 121 -13.029 33.623 8.757 1.00 2.30 N ATOM 934 N ALA A 122 -8.270 30.906 7.020 1.00 7.87 N ATOM 935 CA ALA A 122 -7.629 30.645 5.725 1.00 7.72 C ATOM 936 C ALA A 122 -7.007 29.250 5.645 1.00 6.20 C ATOM 937 O ALA A 122 -6.693 28.747 4.544 1.00 5.55 O ATOM 938 CB ALA A 122 -6.469 31.642 5.564 1.00 2.87 C ATOM 939 N TRP A 123 -6.851 28.660 6.819 1.00 5.88 N ATOM 940 CA TRP A 123 -6.268 27.322 6.975 1.00 6.99 C ATOM 941 C TRP A 123 -7.232 26.167 6.703 1.00 9.22 C ATOM 942 O TRP A 123 -6.815 25.056 6.309 1.00 6.32 O ATOM 943 CB TRP A 123 -5.714 27.188 8.393 1.00 4.93 C ATOM 944 CG TRP A 123 -4.401 28.049 8.492 1.00 6.07 C ATOM 945 CD1 TRP A 123 -4.165 29.156 9.207 1.00 6.33 C ATOM 946 CD2 TRP A 123 -3.187 27.756 7.863 1.00 5.36 C ATOM 947 NE1 TRP A 123 -2.809 29.614 8.969 1.00 6.66 N ATOM 948 CE2 TRP A 123 -2.238 28.759 8.217 1.00 7.60 C ATOM 949 CE3 TRP A 123 -2.804 26.736 7.023 1.00 6.01 C ATOM 950 CZ2 TRP A 123 -0.910 28.801 7.782 1.00 3.84 C ATOM 951 CZ3 TRP A 123 -1.467 26.796 6.578 1.00 5.99 C ATOM 952 CH2 TRP A 123 -0.553 27.762 6.976 1.00 5.99 C ATOM 953 N ILE A 124 -8.504 26.465 6.917 1.00 8.62 N ATOM 954 CA ILE A 124 -9.607 25.561 6.574 1.00 3.57 C ATOM 955 C ILE A 124 -10.546 25.869 5.406 1.00 4.85 C ATOM 956 O ILE A 124 -11.634 25.266 5.278 1.00 6.08 O ATOM 957 CB ILE A 124 -10.605 25.401 7.747 1.00 7.88 C ATOM 958 CG1 ILE A 124 -11.101 26.762 8.307 1.00 3.94 C ATOM 959 CG2 ILE A 124 -9.812 24.518 8.711 1.00 5.63 C ATOM 960 CD1 ILE A 124 -12.219 26.630 9.363 1.00 3.97 C ATOM 961 N ARG A 125 -10.094 26.800 4.579 1.00 5.74 N ATOM 962 CA ARG A 125 -10.680 27.053 3.257 1.00 7.80 C ATOM 963 C ARG A 125 -10.400 25.834 2.377 1.00 4.30 C ATOM 964 O ARG A 125 -9.302 25.241 2.427 1.00 5.59 O ATOM 965 CB ARG A 125 -10.079 28.318 2.611 1.00 2.09 C ATOM 966 CG ARG A 125 -10.882 29.607 2.869 1.00 1.23 C ATOM 967 CD ARG A 125 -10.241 30.773 2.143 1.00 2.55 C ATOM 968 NE ARG A 125 -9.998 31.898 3.060 1.00 1.58 N ATOM 969 CZ ARG A 125 -9.027 32.814 2.868 1.00 1.00 C ATOM 970 NH1 ARG A 125 -8.153 32.687 1.860 1.00 2.27 N ATOM 971 NH2 ARG A 125 -8.950 33.847 3.688 1.00 2.27 N ATOM 972 N GLY A 126 -11.408 25.495 1.588 1.00 6.66 N ATOM 973 CA GLY A 126 -11.354 24.358 0.661 1.00 1.76 C ATOM 974 C GLY A 126 -11.981 23.090 1.241 1.00 5.62 C ATOM 975 O GLY A 126 -12.497 22.227 0.498 1.00 1.37 O ATOM 976 N CYS A 127 -11.923 23.014 2.562 1.00 7.45 N ATOM 977 CA CYS A 127 -12.328 21.822 3.316 1.00 4.38 C ATOM 978 C CYS A 127 -13.810 21.466 3.444 1.00 5.55 C ATOM 979 O CYS A 127 -14.658 22.333 3.747 1.00 5.82 O ATOM 980 CB CYS A 127 -11.477 21.725 4.558 1.00 1.50 C ATOM 981 SG CYS A 127 -9.740 22.242 4.384 1.00 14.60 S ATOM 982 N ARG A 128 -14.081 20.191 3.213 1.00 4.41 N ATOM 983 CA ARG A 128 -15.407 19.600 3.434 1.00 2.69 C ATOM 984 C ARG A 128 -15.228 19.414 4.941 1.00 7.31 C ATOM 985 O ARG A 128 -14.487 18.516 5.396 1.00 1.90 O ATOM 986 CB ARG A 128 -15.590 18.312 2.604 1.00 0.35 C ATOM 987 CG ARG A 128 -14.719 18.243 1.335 1.00 1.36 C ATOM 988 CD ARG A 128 -14.891 16.897 0.658 1.00 3.92 C ATOM 989 NE ARG A 128 -13.854 16.681 -0.364 1.00 0.25 N ATOM 990 CZ ARG A 128 -13.411 15.458 -0.724 1.00 0.54 C ATOM 991 NH1 ARG A 128 -13.787 14.365 -0.047 1.00 2.81 N ATOM 992 NH2 ARG A 128 -12.600 15.351 -1.762 1.00 2.81 N ATOM 993 N LEU A 129 -15.920 20.270 5.677 1.00 1.46 N ATOM 994 CA LEU A 129 -15.930 20.242 7.145 1.00 6.53 C ATOM 995 C LEU A 129 -17.437 20.359 7.380 1.00 8.26 C ATOM 996 O LEU A 129 -18.187 20.864 6.516 1.00 4.34 O ATOM 997 CB LEU A 129 -15.086 21.404 7.703 1.00 4.41 C ATOM 998 CG LEU A 129 -13.595 21.390 7.436 1.00 3.74 C ATOM 999 CD1 LEU A 129 -12.954 22.586 8.097 1.00 3.02 C ATOM 1000 CD2 LEU A 129 -12.974 20.117 7.959 1.00 3.02 C ATOM 1001 OXT LEU A 129 -17.840 19.891 8.551 1.00 4.69 O TER 1002 LEU A 129 HETATM 1003 O HOH A 130 1.437 16.676 19.902 1.00 7.36 O HETATM 1004 O HOH A 131 -0.616 11.133 19.523 1.00 8.12 O HETATM 1005 O HOH A 132 -1.859 12.396 4.827 1.00 5.12 O HETATM 1006 O HOH A 133 -4.156 10.145 2.848 1.00 5.71 O HETATM 1007 O HOH A 134 -11.782 17.733 4.758 1.00 6.95 O HETATM 1008 O HOH A 135 3.243 19.918 5.368 1.00 7.67 O HETATM 1009 O HOH A 136 -14.650 25.062 4.959 1.00 8.62 O HETATM 1010 O HOH A 137 -14.388 26.920 2.787 1.00 9.02 O HETATM 1011 O HOH A 138A -14.817 29.031 5.604 1.00 8.87 O HETATM 1012 O HOH A 139 -2.283 26.351 3.043 1.00 5.44 O HETATM 1013 O HOH A 140 -5.837 19.355 2.104 1.00 8.42 O HETATM 1014 O HOH A 141 -8.404 16.734 1.291 1.00 3.13 O HETATM 1015 O HOH A 142 -12.544 32.373 13.163 1.00 5.87 O HETATM 1016 O HOH A 143 -14.006 31.452 8.669 1.00 6.10 O HETATM 1017 O HOH A 144 -11.974 34.750 9.022 1.00 4.56 O HETATM 1018 O HOH A 145 -3.488 37.134 7.629 1.00 8.16 O HETATM 1019 O HOH A 146 -0.935 32.866 8.179 1.00 8.06 O HETATM 1020 O HOH A 147 8.083 28.178 8.105 1.00 10.17 O HETATM 1021 O HOH A 148 7.499 23.692 4.296 1.00 6.63 O HETATM 1022 O HOH A 149 6.355 15.951 3.994 1.00 7.31 O HETATM 1023 O HOH A 150 3.643 6.779 10.177 1.00 8.23 O HETATM 1024 O HOH A 151 5.834 11.190 9.364 1.00 8.56 O HETATM 1025 O HOH A 152 6.196 10.517 6.878 1.00 9.68 O HETATM 1026 O HOH A 153 -11.373 28.950 11.880 1.00 6.95 O HETATM 1027 O HOH A 154 -10.186 35.036 12.278 1.00 6.30 O HETATM 1028 O HOH A 155A -10.492 37.474 13.389 1.00 6.45 O HETATM 1029 O HOH A 156 4.486 33.231 9.936 1.00 8.28 O HETATM 1030 O HOH A 157 2.422 33.719 9.723 1.00 6.58 O HETATM 1031 O HOH A 158 7.321 25.129 11.024 1.00 8.18 O HETATM 1032 O HOH A 159 8.807 22.732 10.368 1.00 7.01 O HETATM 1033 O HOH A 160 8.773 21.508 12.167 1.00 7.49 O HETATM 1034 O HOH A 161 10.270 18.653 12.446 1.00 9.22 O HETATM 1035 O HOH A 162 9.016 20.792 14.248 1.00 6.89 O HETATM 1036 O HOH A 163 9.050 18.423 10.724 1.00 8.09 O HETATM 1037 O HOH A 164 8.892 18.409 7.801 1.00 7.64 O HETATM 1038 O HOH A 165 1.063 4.296 10.283 1.00 7.03 O HETATM 1039 O HOH A 166 0.337 36.004 8.597 1.00 4.43 O HETATM 1040 O HOH A 167 7.675 28.515 14.300 1.00 8.85 O HETATM 1041 O HOH A 168 11.790 13.378 14.714 1.00 7.52 O HETATM 1042 O HOH A 169 3.640 7.823 12.635 1.00 6.37 O HETATM 1043 O HOH A 170 -9.445 10.218 12.204 1.00 6.53 O HETATM 1044 O HOH A 171 -6.642 10.502 13.858 1.00 6.78 O HETATM 1045 O HOH A 172 -8.352 8.342 15.325 1.00 6.10 O HETATM 1046 O HOH A 173 -15.203 19.952 17.200 1.00 7.42 O HETATM 1047 O HOH A 174 -0.280 12.094 16.668 1.00 6.24 O HETATM 1048 O HOH A 175 7.849 31.304 16.993 1.00 9.10 O HETATM 1049 O HOH A 176 4.020 38.457 18.217 1.00 7.91 O HETATM 1050 O HOH A 177 9.866 28.672 17.801 1.00 8.14 O HETATM 1051 O HOH A 178 7.959 26.127 18.003 1.00 7.34 O HETATM 1052 O HOH A 179 -7.029 36.080 14.705 1.00 7.81 O HETATM 1053 O HOH A 180 -1.986 4.781 18.256 1.00 3.13 O HETATM 1054 O HOH A 181 1.193 4.674 15.427 1.00 7.40 O HETATM 1055 O HOH A 182 2.913 5.353 18.397 1.00 7.25 O HETATM 1056 O HOH A 183 3.668 4.569 16.307 1.00 6.62 O HETATM 1057 O HOH A 184 -1.140 40.137 17.624 1.00 2.45 O HETATM 1058 O HOH A 185 -16.611 8.399 17.694 1.00 5.75 O HETATM 1059 O HOH A 186 -17.022 15.334 18.866 1.00 6.34 O HETATM 1060 O HOH A 187A -17.386 17.070 17.778 1.00 5.50 O HETATM 1061 O HOH A 188 9.171 23.006 19.600 1.00 7.66 O HETATM 1062 O HOH A 189 12.518 23.592 19.879 1.00 5.87 O HETATM 1063 O HOH A 190 11.805 25.700 19.768 1.00 7.07 O HETATM 1064 O HOH A 191 -2.903 8.394 19.893 1.00 6.82 O HETATM 1065 O HOH A 192 -10.705 7.515 18.789 1.00 6.40 O HETATM 1066 O HOH A 193 -18.054 19.827 19.163 1.00 5.31 O HETATM 1067 O HOH A 194 16.507 19.005 18.243 1.00 5.96 O HETATM 1068 O HOH A 195 16.616 21.688 17.758 1.00 8.31 O HETATM 1069 O HOH A 196 -0.442 2.991 20.757 1.00 9.35 O HETATM 1070 O HOH A 197 5.822 23.508 22.833 1.00 6.95 O HETATM 1071 O HOH A 198A 5.587 23.934 25.215 1.00 7.82 O HETATM 1072 O HOH A 199 2.697 23.898 23.970 1.00 7.81 O HETATM 1073 O HOH A 200 6.260 26.555 22.268 1.00 6.56 O HETATM 1074 O HOH A 201 7.740 23.642 24.040 1.00 8.03 O HETATM 1075 O HOH A 202 13.719 26.877 24.205 1.00 6.74 O HETATM 1076 O HOH A 203 19.999 21.494 24.138 1.00 7.27 O HETATM 1077 O HOH A 204 -14.883 14.517 24.305 1.00 7.58 O HETATM 1078 O HOH A 205 -16.707 16.553 21.692 1.00 7.33 O HETATM 1079 O HOH A 206 3.717 21.076 26.042 1.00 7.60 O HETATM 1080 O HOH A 207 7.748 27.790 26.634 1.00 9.63 O HETATM 1081 O HOH A 208 13.889 14.951 26.751 1.00 8.82 O HETATM 1082 O HOH A 209 -4.510 8.787 25.141 1.00 7.40 O HETATM 1083 O HOH A 210 7.236 32.376 25.121 1.00 9.58 O HETATM 1084 O HOH A 211 -2.571 26.932 28.686 1.00 6.90 O HETATM 1085 O HOH A 212 3.010 29.072 30.876 1.00 8.66 O HETATM 1086 O HOH A 213 21.502 19.730 28.267 1.00 6.85 O HETATM 1087 O HOH A 214 17.979 16.390 30.324 1.00 6.39 O HETATM 1088 O HOH A 215 -9.097 19.616 31.367 1.00 6.26 O HETATM 1089 O HOH A 216 0.764 36.101 30.952 1.00 7.53 O HETATM 1090 O HOH A 217 -12.099 23.975 29.968 1.00 7.26 O HETATM 1091 O HOH A 218 -12.554 12.554 28.425 0.50 7.79 O HETATM 1092 O HOH A 219 8.199 26.198 32.854 1.00 8.38 O HETATM 1093 O HOH A 220 10.629 24.833 34.084 1.00 7.70 O HETATM 1094 O HOH A 221 4.504 27.893 34.299 1.00 8.44 O HETATM 1095 O HOH A 222 11.951 12.339 32.724 1.00 9.06 O HETATM 1096 O HOH A 223 -5.010 10.314 32.505 1.00 8.12 O HETATM 1097 O HOH A 224 15.048 22.720 35.229 1.00 7.00 O HETATM 1098 O HOH A 225 -0.828 22.595 35.395 1.00 6.41 O HETATM 1099 O HOH A 226 -1.945 24.463 33.952 1.00 6.93 O HETATM 1100 O HOH A 227 -2.131 25.946 32.449 1.00 7.49 O HETATM 1101 O HOH A 228 -4.626 21.858 33.367 1.00 6.01 O HETATM 1102 O HOH A 229 -4.472 18.437 36.114 1.00 6.67 O HETATM 1103 O HOH A 230 -2.560 14.544 36.556 1.00 6.87 O CONECT 48 981 CONECT 238 889 CONECT 513 630 CONECT 601 724 CONECT 630 513 CONECT 724 601 CONECT 889 238 CONECT 981 48 MASTER 483 0 0 4 5 0 0 6 1102 1 8 10 END If you find results from this site helpful for your research, please cite one of our papers:
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