***  HYDROLASE 01-FEB-75 1LYZ  ***
Job options:
ID = 2404221630241904959
JOBID = HYDROLASE 01-FEB-75 1LYZ
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 HYDROLASE 01-FEB-75 1LYZ
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 12 29-NOV-17 1LYZ 1 HELIX
REVDAT 11 24-FEB-09 1LYZ 1 VERSN
REVDAT 10 16-OCT-87 1LYZ 1 FTNOTE TURN
REVDAT 9 25-APR-86 1LYZ 3 SOURCE SEQRES ATOM
REVDAT 8 07-FEB-84 1LYZ 1 FTNOTE
REVDAT 7 30-SEP-83 1LYZ 1 REVDAT
REVDAT 6 01-MAR-82 1LYZ 1 REMARK
REVDAT 5 20-APR-81 1LYZ 1 SHEET
REVDAT 4 31-DEC-80 1LYZ 1 REMARK
REVDAT 3 01-NOV-77 1LYZ 1 COMPND SOURCE AUTHOR JRNL
REVDAT 3 2 1 REMARK FORMUL SSBOND
REVDAT 2 16-MAY-77 1LYZ 3 SEQRES ATOM
REVDAT 1 12-APR-77 1LYZ 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: THE TEMPERATURE FACTOR FIELDS OF THIS
REMARK 3 ENTRY CONTAIN ELECTRON COUNTS INSTEAD, IN THE FORM THEY WERE
REMARK 3 DEPOSITED.
REMARK 4
REMARK 4 1LYZ 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_1000174873.
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 CB ALA A 122 NH1 ARG A 125 1.36
REMARK 500 NE2 GLN A 121 O HOH A 144 1.39
REMARK 500 OD1 ASP A 101 O HOH A 228 1.58
REMARK 500 O LYS A 97 OD1 ASP A 101 1.60
REMARK 500 O ALA A 10 N ALA A 11 1.66
REMARK 500 OD1 ASP A 119 NH2 ARG A 125 1.67
REMARK 500 O CYS A 30 N ALA A 31 1.76
REMARK 500 CD GLN A 121 O HOH A 144 1.86
REMARK 500 OG SER A 24 O HOH A 153 1.95
REMARK 500 O ASN A 106 NH2 ARG A 112 2.01
REMARK 500 NH1 ARG A 5 O TRP A 123 2.01
REMARK 500 CB ALA A 122 CZ ARG A 125 2.02
REMARK 500 CB ASP A 101 O HOH A 227 2.02
REMARK 500 CA ALA A 122 NE ARG A 125 2.08
REMARK 500 O HOH A 186 O HOH A 187A 2.08
REMARK 500 CD1 TRP A 63 O HOH A 206 2.12
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 HOH A 156 O HOH A 157 2.13
REMARK 500 O HOH A 159 O HOH A 160 2.18
REMARK 500 CA ALA A 122 CZ ARG A 125 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 0.89
REMARK 500 NE ARG A 128 O HOH A 186 8555 1.69
REMARK 500 CG2 THR A 47 NE ARG A 128 3555 2.03
REMARK 500 CG2 THR A 47 NH2 ARG A 128 3555 2.19
REMARK 500 CG ARG A 128 O HOH A 186 8555 2.19
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 LYS A 1 N LYS A 1 CA -0.139
REMARK 500 LYS A 1 CA LYS A 1 CB 0.485
REMARK 500 LYS A 1 CB LYS A 1 CG -0.575
REMARK 500 LYS A 1 CA LYS A 1 C 0.364
REMARK 500 LYS A 1 C VAL A 2 N 0.300
REMARK 500 VAL A 2 CB VAL A 2 CG1 -0.127
REMARK 500 VAL A 2 C VAL A 2 O -0.119
REMARK 500 VAL A 2 C PHE A 3 N 0.202
REMARK 500 PHE A 3 N PHE A 3 CA -0.169
REMARK 500 PHE A 3 CB PHE A 3 CG -0.587
REMARK 500 PHE A 3 CG PHE A 3 CD2 -0.257
REMARK 500 PHE A 3 CG PHE A 3 CD1 0.466
REMARK 500 PHE A 3 CD1 PHE A 3 CE1 -0.221
REMARK 500 PHE A 3 CZ PHE A 3 CE2 0.338
REMARK 500 PHE A 3 CA PHE A 3 C 0.311
REMARK 500 PHE A 3 C PHE A 3 O -0.385
REMARK 500 PHE A 3 C GLY A 4 N 0.243
REMARK 500 GLY A 4 N GLY A 4 CA -0.124
REMARK 500 GLY A 4 CA GLY A 4 C 0.328
REMARK 500 ARG A 5 N ARG A 5 CA -0.294
REMARK 500 ARG A 5 CA ARG A 5 CB -0.134
REMARK 500 ARG A 5 CG ARG A 5 CD -0.229
REMARK 500 ARG A 5 NE ARG A 5 CZ -0.510
REMARK 500 ARG A 5 CZ ARG A 5 NH2 0.593
REMARK 500 ARG A 5 CA ARG A 5 C -0.298
REMARK 500 ARG A 5 C CYS A 6 N 0.274
REMARK 500 CYS A 6 N CYS A 6 CA 0.222
REMARK 500 CYS A 6 CA CYS A 6 CB -0.255
REMARK 500 CYS A 6 CB CYS A 6 SG 0.144
REMARK 500 CYS A 6 CA CYS A 6 C 0.331
REMARK 500 CYS A 6 C CYS A 6 O -0.229
REMARK 500 CYS A 6 C GLU A 7 N 0.214
REMARK 500 GLU A 7 CA GLU A 7 CB -0.458
REMARK 500 GLU A 7 CB GLU A 7 CG 0.296
REMARK 500 GLU A 7 CD GLU A 7 OE1 0.269
REMARK 500 GLU A 7 CD GLU A 7 OE2 0.094
REMARK 500 GLU A 7 C LEU A 8 N -0.209
REMARK 500 LEU A 8 CB LEU A 8 CG -0.535
REMARK 500 LEU A 8 CG LEU A 8 CD1 0.361
REMARK 500 LEU A 8 CG LEU A 8 CD2 0.292
REMARK 500 LEU A 8 CA LEU A 8 C -0.264
REMARK 500 ALA A 9 N ALA A 9 CA -0.232
REMARK 500 ALA A 9 CA ALA A 9 CB -0.150
REMARK 500 ALA A 9 CA ALA A 9 C -0.319
REMARK 500 ALA A 10 N ALA A 10 CA 0.171
REMARK 500 ALA A 10 CA ALA A 10 CB 0.289
REMARK 500 ALA A 10 C ALA A 11 N -0.598
REMARK 500 MET A 12 C MET A 12 O 0.381
REMARK 500 LYS A 13 N LYS A 13 CA 0.166
REMARK 500 LYS A 13 CA LYS A 13 CB 0.234
REMARK 500
REMARK 500 THIS ENTRY HAS 444 BOND DEVIATIONS.
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 LYS A 1 CB - CA - C ANGL. DEV. = -25.9 DEGREES
REMARK 500 LYS A 1 N - CA - CB ANGL. DEV. = 42.6 DEGREES
REMARK 500 LYS A 1 CA - CB - CG ANGL. DEV. = 28.1 DEGREES
REMARK 500 LYS A 1 CD - CE - NZ ANGL. DEV. = 22.7 DEGREES
REMARK 500 LYS A 1 CA - C - O ANGL. DEV. = -15.0 DEGREES
REMARK 500 LYS A 1 CA - C - N ANGL. DEV. = 18.4 DEGREES
REMARK 500 VAL A 2 CB - CA - C ANGL. DEV. = 13.0 DEGREES
REMARK 500 VAL A 2 N - CA - CB ANGL. DEV. = -29.7 DEGREES
REMARK 500 VAL A 2 CA - CB - CG1 ANGL. DEV. = -15.9 DEGREES
REMARK 500 VAL A 2 CA - C - N ANGL. DEV. = -14.6 DEGREES
REMARK 500 PHE A 3 CB - CA - C ANGL. DEV. = 25.9 DEGREES
REMARK 500 PHE A 3 CA - CB - CG ANGL. DEV. = 23.5 DEGREES
REMARK 500 PHE A 3 CB - CG - CD2 ANGL. DEV. = 24.1 DEGREES
REMARK 500 PHE A 3 CB - CG - CD1 ANGL. DEV. = -20.8 DEGREES
REMARK 500 PHE A 3 CG - CD2 - CE2 ANGL. DEV. = 13.4 DEGREES
REMARK 500 PHE A 3 CD1 - CE1 - CZ ANGL. DEV. = -10.7 DEGREES
REMARK 500 PHE A 3 CZ - CE2 - CD2 ANGL. DEV. = -13.3 DEGREES
REMARK 500 PHE A 3 CA - C - N ANGL. DEV. = -21.1 DEGREES
REMARK 500 PHE A 3 O - C - N ANGL. DEV. = 15.3 DEGREES
REMARK 500 GLY A 4 C - N - CA ANGL. DEV. = -14.4 DEGREES
REMARK 500 GLY A 4 CA - C - O ANGL. DEV. = -31.2 DEGREES
REMARK 500 GLY A 4 O - C - N ANGL. DEV. = 38.7 DEGREES
REMARK 500 ARG A 5 CB - CA - C ANGL. DEV. = -17.5 DEGREES
REMARK 500 ARG A 5 CG - CD - NE ANGL. DEV. = 23.6 DEGREES
REMARK 500 ARG A 5 NH1 - CZ - NH2 ANGL. DEV. = -36.7 DEGREES
REMARK 500 ARG A 5 NE - CZ - NH1 ANGL. DEV. = 22.6 DEGREES
REMARK 500 ARG A 5 NE - CZ - NH2 ANGL. DEV. = 10.8 DEGREES
REMARK 500 ARG A 5 N - CA - C ANGL. DEV. = -18.5 DEGREES
REMARK 500 ARG A 5 CA - C - O ANGL. DEV. = 23.7 DEGREES
REMARK 500 ARG A 5 O - C - N ANGL. DEV. = -29.0 DEGREES
REMARK 500 CYS A 6 CA - CB - SG ANGL. DEV. = -10.8 DEGREES
REMARK 500 CYS A 6 CA - C - O ANGL. DEV. = 33.5 DEGREES
REMARK 500 CYS A 6 O - C - N ANGL. DEV. = -27.3 DEGREES
REMARK 500 GLU A 7 OE1 - CD - OE2 ANGL. DEV. = -37.4 DEGREES
REMARK 500 GLU A 7 CG - CD - OE1 ANGL. DEV. = 23.4 DEGREES
REMARK 500 GLU A 7 O - C - N ANGL. DEV. = -18.3 DEGREES
REMARK 500 LEU A 8 C - N - CA ANGL. DEV. = 32.7 DEGREES
REMARK 500 LEU A 8 N - CA - CB ANGL. DEV. = 19.5 DEGREES
REMARK 500 LEU A 8 CD1 - CG - CD2 ANGL. DEV. = -20.8 DEGREES
REMARK 500 LEU A 8 CB - CG - CD2 ANGL. DEV. = 21.0 DEGREES
REMARK 500 ALA A 10 CB - CA - C ANGL. DEV. = -12.9 DEGREES
REMARK 500 ALA A 11 N - CA - CB ANGL. DEV. = 16.6 DEGREES
REMARK 500 ALA A 11 CA - C - N ANGL. DEV. = -13.4 DEGREES
REMARK 500 ALA A 11 O - C - N ANGL. DEV. = 16.2 DEGREES
REMARK 500 LYS A 13 CB - CA - C ANGL. DEV. = 13.8 DEGREES
REMARK 500 LYS A 13 N - CA - CB ANGL. DEV. = -23.0 DEGREES
REMARK 500 LYS A 13 CA - CB - CG ANGL. DEV. = -20.8 DEGREES
REMARK 500 LYS A 13 CD - CE - NZ ANGL. DEV. = -28.0 DEGREES
REMARK 500 LYS A 13 N - CA - C ANGL. DEV. = 31.0 DEGREES
REMARK 500 LYS A 13 CA - C - N ANGL. DEV. = -26.6 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 400 ANGLE DEVIATIONS.
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 ARG A 5 -77.02 -56.42
REMARK 500 CYS A 6 -46.50 -29.81
REMARK 500 LYS A 13 -73.21 -42.04
REMARK 500 ARG A 14 -56.52 -16.22
REMARK 500 ASN A 19 -0.51 59.08
REMARK 500 LEU A 25 -26.71 -36.37
REMARK 500 PHE A 38 -3.98 82.80
REMARK 500 ASN A 46 -142.28 -98.36
REMARK 500 ASP A 48 35.44 -92.64
REMARK 500 SER A 50 105.36 9.91
REMARK 500 GLN A 57 51.88 35.45
REMARK 500 TRP A 62 -41.75 -136.24
REMARK 500 ASP A 66 23.96 -159.98
REMARK 500 CYS A 80 -67.99 -10.62
REMARK 500 ILE A 88 3.00 -57.06
REMARK 500 THR A 89 -73.63 -47.30
REMARK 500 ALA A 90 -78.47 -9.16
REMARK 500 ALA A 107 -14.95 -45.07
REMARK 500 CYS A 115 -36.50 -136.72
REMARK 500 ASP A 119 75.54 -102.08
REMARK 500 ARG A 128 99.14 -68.74
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 MET A 12 LYS A 13 148.32
REMARK 500 LYS A 13 ARG A 14 144.85
REMARK 500 LEU A 17 ASP A 18 -147.18
REMARK 500 TYR A 20 ARG A 21 -149.87
REMARK 500 TYR A 23 SER A 24 139.93
REMARK 500 ALA A 31 ALA A 32 -128.44
REMARK 500 TYR A 53 GLY A 54 146.26
REMARK 500 ILE A 55 LEU A 56 -145.42
REMARK 500 ASP A 66 GLY A 67 134.64
REMARK 500 CYS A 76 ASN A 77 148.07
REMARK 500 SER A 85 SER A 86 -137.42
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 0.09 SIDE CHAIN
REMARK 500 GLU A 7 0.15 SIDE CHAIN
REMARK 500 TYR A 20 0.11 SIDE CHAIN
REMARK 500 ARG A 21 0.18 SIDE CHAIN
REMARK 500 PHE A 34 0.07 SIDE CHAIN
REMARK 500 GLU A 35 0.07 SIDE CHAIN
REMARK 500 PHE A 38 0.09 SIDE CHAIN
REMARK 500 ASN A 44 0.10 SIDE CHAIN
REMARK 500 TYR A 53 0.08 SIDE CHAIN
REMARK 500 ARG A 61 0.12 SIDE CHAIN
REMARK 500 ASN A 103 0.08 SIDE CHAIN
REMARK 500 ARG A 114 0.08 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY
REMARK 500
REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY
REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER
REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME;
REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;
REMARK 500 I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI ANGLE
REMARK 500 LYS A 1 12.40
REMARK 500 VAL A 2 -11.76
REMARK 500 ARG A 5 15.03
REMARK 500 GLU A 7 -12.76
REMARK 500 MET A 12 -10.79
REMARK 500 ARG A 14 -16.75
REMARK 500 LEU A 17 27.10
REMARK 500 ASP A 18 20.28
REMARK 500 TYR A 20 16.16
REMARK 500 GLY A 22 -10.46
REMARK 500 TYR A 23 -29.62
REMARK 500 SER A 24 15.76
REMARK 500 CYS A 30 -29.88
REMARK 500 ASN A 37 -16.46
REMARK 500 ALA A 42 13.05
REMARK 500 ASN A 46 -31.79
REMARK 500 SER A 50 16.27
REMARK 500 ASP A 52 18.81
REMARK 500 TYR A 53 -18.56
REMARK 500 LEU A 56 -13.41
REMARK 500 SER A 60 -14.12
REMARK 500 ASP A 66 -27.26
REMARK 500 PRO A 70 -15.78
REMARK 500 ARG A 73 16.03
REMARK 500 CYS A 76 -17.06
REMARK 500 SER A 85 26.49
REMARK 500 SER A 86 -11.42
REMARK 500 ASP A 87 15.62
REMARK 500 ASN A 93 -12.63
REMARK 500 ALA A 95 11.64
REMARK 500 LYS A 96 -16.88
REMARK 500 SER A 100 -14.14
REMARK 500 GLN A 121 -10.40
REMARK 500 TRP A 123 19.59
REMARK 500 CYS A 127 12.84
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1LYZ 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 2.06
SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.42
SSBOND 3 CYS A 64 CYS A 80 1555 1555 2.34
SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.22
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 3.296 9.888 10.739 1.00 7.00 N
ATOM 2 CA LYS A 1 2.439 10.217 9.791 1.00 6.00 C
ATOM 3 C LYS A 1 2.439 11.997 9.160 1.00 6.00 C
ATOM 4 O LYS A 1 2.637 12.656 10.107 1.00 8.00 O
ATOM 5 CB LYS A 1 0.659 10.086 8.844 1.00 6.00 C
ATOM 6 CG LYS A 1 0.198 10.415 8.086 1.00 6.00 C
ATOM 7 CD LYS A 1 -1.187 10.086 8.212 1.00 6.00 C
ATOM 8 CE LYS A 1 -2.175 10.086 7.264 1.00 6.00 C
ATOM 9 NZ LYS A 1 -3.527 9.869 7.288 1.00 7.00 N
ATOM 10 N VAL A 2 2.637 12.722 7.707 1.00 7.00 N
ATOM 11 CA VAL A 2 2.307 14.172 7.580 1.00 6.00 C
ATOM 12 C VAL A 2 0.857 14.041 6.949 1.00 6.00 C
ATOM 13 O VAL A 2 0.659 13.843 5.875 1.00 8.00 O
ATOM 14 CB VAL A 2 3.625 14.172 6.759 1.00 6.00 C
ATOM 15 CG1 VAL A 2 3.494 15.491 6.317 1.00 6.00 C
ATOM 16 CG2 VAL A 2 4.746 13.843 7.580 1.00 6.00 C
ATOM 17 N PHE A 3 0.000 14.898 7.896 1.00 7.00 N
ATOM 18 CA PHE A 3 -1.187 15.293 7.580 1.00 6.00 C
ATOM 19 C PHE A 3 -0.989 16.611 6.317 1.00 6.00 C
ATOM 20 O PHE A 3 -0.330 17.139 6.317 1.00 8.00 O
ATOM 21 CB PHE A 3 -1.846 15.161 8.844 1.00 6.00 C
ATOM 22 CG PHE A 3 -1.978 14.502 9.475 1.00 6.00 C
ATOM 23 CD1 PHE A 3 -3.757 14.107 9.160 1.00 6.00 C
ATOM 24 CD2 PHE A 3 -1.582 14.041 10.423 1.00 6.00 C
ATOM 25 CE1 PHE A 3 -4.417 13.381 9.791 1.00 6.00 C
ATOM 26 CE2 PHE A 3 -2.109 13.316 11.370 1.00 6.00 C
ATOM 27 CZ PHE A 3 -3.691 12.920 10.865 1.00 6.00 C
ATOM 28 N GLY A 4 -2.505 16.611 5.875 1.00 7.00 N
ATOM 29 CA GLY A 4 -2.637 17.468 4.864 1.00 6.00 C
ATOM 30 C GLY A 4 -3.626 18.787 5.685 1.00 6.00 C
ATOM 31 O GLY A 4 -3.955 17.930 6.633 1.00 8.00 O
ATOM 32 N ARG A 5 -3.494 19.841 5.054 1.00 7.00 N
ATOM 33 CA ARG A 5 -3.823 20.764 5.685 1.00 6.00 C
ATOM 34 C ARG A 5 -4.944 20.303 5.875 1.00 6.00 C
ATOM 35 O ARG A 5 -5.801 20.237 6.633 1.00 8.00 O
ATOM 36 CB ARG A 5 -4.285 21.687 4.738 1.00 6.00 C
ATOM 37 CG ARG A 5 -4.482 23.005 5.054 1.00 6.00 C
ATOM 38 CD ARG A 5 -4.482 23.994 4.232 1.00 6.00 C
ATOM 39 NE ARG A 5 -5.273 24.390 3.158 1.00 7.00 N
ATOM 40 CZ ARG A 5 -6.065 24.588 3.158 1.00 6.00 C
ATOM 41 NH1 ARG A 5 -7.119 24.851 3.980 1.00 7.00 N
ATOM 42 NH2 ARG A 5 -7.119 25.576 1.895 1.00 7.00 N
ATOM 43 N CYS A 6 -5.933 20.435 4.611 1.00 7.00 N
ATOM 44 CA CYS A 6 -7.581 20.105 4.611 1.00 6.00 C
ATOM 45 C CYS A 6 -7.910 18.787 5.875 1.00 6.00 C
ATOM 46 O CYS A 6 -8.240 18.457 6.759 1.00 8.00 O
ATOM 47 CB CYS A 6 -8.042 19.775 3.474 1.00 6.00 C
ATOM 48 SG CYS A 6 -8.899 21.423 2.843 1.00 16.00 S
ATOM 49 N GLU A 7 -6.856 17.666 5.685 1.00 7.00 N
ATOM 50 CA GLU A 7 -7.119 16.414 6.191 1.00 6.00 C
ATOM 51 C GLU A 7 -6.856 16.282 7.580 1.00 6.00 C
ATOM 52 O GLU A 7 -7.581 15.689 8.402 1.00 8.00 O
ATOM 53 CB GLU A 7 -6.592 15.623 5.685 1.00 6.00 C
ATOM 54 CG GLU A 7 -6.262 14.041 6.506 1.00 6.00 C
ATOM 55 CD GLU A 7 -5.339 13.184 5.685 1.00 6.00 C
ATOM 56 OE1 GLU A 7 -3.955 13.184 5.054 1.00 8.00 O
ATOM 57 OE2 GLU A 7 -4.944 12.063 6.317 1.00 8.00 O
ATOM 58 N LEU A 8 -6.196 16.941 8.212 1.00 7.00 N
ATOM 59 CA LEU A 8 -5.735 17.534 9.475 1.00 6.00 C
ATOM 60 C LEU A 8 -6.724 17.996 10.107 1.00 6.00 C
ATOM 61 O LEU A 8 -7.053 17.798 11.370 1.00 8.00 O
ATOM 62 CB LEU A 8 -4.482 18.193 9.791 1.00 6.00 C
ATOM 63 CG LEU A 8 -4.417 18.457 10.739 1.00 6.00 C
ATOM 64 CD1 LEU A 8 -4.482 17.073 12.002 1.00 6.00 C
ATOM 65 CD2 LEU A 8 -3.098 19.248 11.686 1.00 6.00 C
ATOM 66 N ALA A 9 -7.581 19.116 9.160 1.00 7.00 N
ATOM 67 CA ALA A 9 -8.372 19.907 9.665 1.00 6.00 C
ATOM 68 C ALA A 9 -9.229 19.182 10.107 1.00 6.00 C
ATOM 69 O ALA A 9 -9.888 19.248 11.244 1.00 8.00 O
ATOM 70 CB ALA A 9 -8.965 20.830 8.844 1.00 6.00 C
ATOM 71 N ALA A 10 -10.020 18.128 8.844 1.00 7.00 N
ATOM 72 CA ALA A 10 -11.206 17.205 9.475 1.00 6.00 C
ATOM 73 C ALA A 10 -10.877 16.150 10.739 1.00 6.00 C
ATOM 74 O ALA A 10 -11.536 16.150 11.686 1.00 8.00 O
ATOM 75 CB ALA A 10 -11.536 15.952 8.212 1.00 6.00 C
ATOM 76 N ALA A 11 -10.217 15.820 10.739 1.00 7.00 N
ATOM 77 CA ALA A 11 -9.426 14.963 11.749 1.00 6.00 C
ATOM 78 C ALA A 11 -9.756 15.557 13.266 1.00 6.00 C
ATOM 79 O ALA A 11 -10.349 14.766 14.087 1.00 8.00 O
ATOM 80 CB ALA A 11 -7.910 14.502 11.623 1.00 6.00 C
ATOM 81 N MET A 12 -9.229 16.677 13.266 1.00 7.00 N
ATOM 82 CA MET A 12 -9.295 17.534 14.529 1.00 6.00 C
ATOM 83 C MET A 12 -10.547 18.062 14.908 1.00 6.00 C
ATOM 84 O MET A 12 -11.074 17.930 16.424 1.00 8.00 O
ATOM 85 CB MET A 12 -8.438 18.721 14.529 1.00 6.00 C
ATOM 86 CG MET A 12 -6.921 18.457 14.529 1.00 6.00 C
ATOM 87 SD MET A 12 -5.999 19.973 14.529 1.00 16.00 S
ATOM 88 CE MET A 12 -6.081 20.438 16.246 1.00 6.00 C
ATOM 89 N LYS A 13 -11.272 18.259 13.897 1.00 7.00 N
ATOM 90 CA LYS A 13 -12.854 18.062 14.213 1.00 6.00 C
ATOM 91 C LYS A 13 -13.843 17.139 14.971 1.00 6.00 C
ATOM 92 O LYS A 13 -14.370 17.271 16.298 1.00 8.00 O
ATOM 93 CB LYS A 13 -13.184 18.787 12.634 1.00 6.00 C
ATOM 94 CG LYS A 13 -14.502 19.314 13.076 1.00 6.00 C
ATOM 95 CD LYS A 13 -15.293 19.775 12.002 1.00 6.00 C
ATOM 96 CE LYS A 13 -16.480 20.303 12.507 1.00 6.00 C
ATOM 97 NZ LYS A 13 -16.941 20.303 10.928 1.00 7.00 N
ATOM 98 N ARG A 14 -13.645 16.018 13.897 1.00 7.00 N
ATOM 99 CA ARG A 14 -13.645 14.502 14.213 1.00 6.00 C
ATOM 100 C ARG A 14 -13.447 14.370 15.792 1.00 6.00 C
ATOM 101 O ARG A 14 -14.304 14.304 17.056 1.00 8.00 O
ATOM 102 CB ARG A 14 -13.909 13.184 13.771 1.00 6.00 C
ATOM 103 CG ARG A 14 -13.711 12.722 12.634 1.00 6.00 C
ATOM 104 CD ARG A 14 -14.304 11.272 13.329 1.00 6.00 C
ATOM 105 NE ARG A 14 -12.986 10.679 13.771 1.00 7.00 N
ATOM 106 CZ ARG A 14 -12.986 9.888 14.845 1.00 6.00 C
ATOM 107 NH1 ARG A 14 -14.172 9.954 15.603 1.00 7.00 N
ATOM 108 NH2 ARG A 14 -11.997 9.097 15.287 1.00 7.00 N
ATOM 109 N HIS A 15 -12.525 14.832 16.424 1.00 7.00 N
ATOM 110 CA HIS A 15 -11.865 14.898 17.814 1.00 6.00 C
ATOM 111 C HIS A 15 -12.261 15.952 18.951 1.00 6.00 C
ATOM 112 O HIS A 15 -11.997 16.084 19.835 1.00 8.00 O
ATOM 113 CB HIS A 15 -10.415 14.634 17.687 1.00 6.00 C
ATOM 114 CG HIS A 15 -10.020 13.381 17.498 1.00 6.00 C
ATOM 115 ND1 HIS A 15 -9.756 12.986 16.234 1.00 7.00 N
ATOM 116 CD2 HIS A 15 -9.756 12.261 18.319 1.00 6.00 C
ATOM 117 CE1 HIS A 15 -9.426 11.733 16.234 1.00 6.00 C
ATOM 118 NE2 HIS A 15 -9.229 11.206 17.498 1.00 7.00 N
ATOM 119 N GLY A 16 -13.381 16.809 18.761 1.00 7.00 N
ATOM 120 CA GLY A 16 -13.645 17.996 19.772 1.00 6.00 C
ATOM 121 C GLY A 16 -12.788 19.446 19.582 1.00 6.00 C
ATOM 122 O GLY A 16 -13.184 20.105 20.340 1.00 8.00 O
ATOM 123 N LEU A 17 -11.865 19.512 18.824 1.00 7.00 N
ATOM 124 CA LEU A 17 -10.877 20.764 18.635 1.00 6.00 C
ATOM 125 C LEU A 17 -11.865 21.885 18.382 1.00 6.00 C
ATOM 126 O LEU A 17 -11.074 23.071 18.509 1.00 8.00 O
ATOM 127 CB LEU A 17 -9.888 20.566 18.130 1.00 6.00 C
ATOM 128 CG LEU A 17 -8.833 19.775 18.635 1.00 6.00 C
ATOM 129 CD1 LEU A 17 -7.449 19.644 18.193 1.00 6.00 C
ATOM 130 CD2 LEU A 17 -8.569 20.435 20.151 1.00 6.00 C
ATOM 131 N ASP A 18 -12.854 21.885 17.435 1.00 7.00 N
ATOM 132 CA ASP A 18 -13.184 23.071 16.866 1.00 6.00 C
ATOM 133 C ASP A 18 -13.975 23.862 17.877 1.00 6.00 C
ATOM 134 O ASP A 18 -14.304 23.335 18.951 1.00 8.00 O
ATOM 135 CB ASP A 18 -14.172 22.874 15.792 1.00 6.00 C
ATOM 136 CG ASP A 18 -14.502 23.731 15.161 1.00 6.00 C
ATOM 137 OD1 ASP A 18 -14.416 24.929 15.012 1.00 8.00 O
ATOM 138 OD2 ASP A 18 -15.437 23.446 13.950 1.00 8.00 O
ATOM 139 N ASN A 19 -13.843 25.181 18.130 1.00 7.00 N
ATOM 140 CA ASN A 19 -14.172 25.708 19.330 1.00 6.00 C
ATOM 141 C ASN A 19 -13.579 25.313 20.593 1.00 6.00 C
ATOM 142 O ASN A 19 -14.370 25.972 21.162 1.00 8.00 O
ATOM 143 CB ASN A 19 -15.623 26.104 18.951 1.00 6.00 C
ATOM 144 CG ASN A 19 -15.491 27.290 17.687 1.00 6.00 C
ATOM 145 OD1 ASN A 19 -14.963 28.477 17.687 1.00 7.00 O
ATOM 146 ND2 ASN A 19 -15.952 26.631 16.803 1.00 7.00 N
ATOM 147 N TYR A 20 -12.788 24.522 20.720 1.00 7.00 N
ATOM 148 CA TYR A 20 -12.656 24.258 21.857 1.00 6.00 C
ATOM 149 C TYR A 20 -11.931 25.049 22.741 1.00 6.00 C
ATOM 150 O TYR A 20 -11.074 26.104 22.488 1.00 8.00 O
ATOM 151 CB TYR A 20 -11.536 22.940 21.730 1.00 6.00 C
ATOM 152 CG TYR A 20 -11.602 22.412 23.057 1.00 6.00 C
ATOM 153 CD1 TYR A 20 -12.656 21.951 23.562 1.00 6.00 C
ATOM 154 CD2 TYR A 20 -10.086 22.676 24.131 1.00 6.00 C
ATOM 155 CE1 TYR A 20 -12.656 20.962 24.889 1.00 6.00 C
ATOM 156 CE2 TYR A 20 -10.086 22.149 25.520 1.00 6.00 C
ATOM 157 CZ TYR A 20 -11.074 21.226 25.899 1.00 6.00 C
ATOM 158 OH TYR A 20 -10.811 20.698 27.352 1.00 8.00 O
ATOM 159 N ARG A 21 -12.393 25.181 23.688 1.00 7.00 N
ATOM 160 CA ARG A 21 -12.195 26.697 24.762 1.00 6.00 C
ATOM 161 C ARG A 21 -12.393 27.818 23.941 1.00 6.00 C
ATOM 162 O ARG A 21 -11.733 28.872 24.004 1.00 8.00 O
ATOM 163 CB ARG A 21 -10.547 26.697 25.457 1.00 6.00 C
ATOM 164 CG ARG A 21 -10.679 26.038 26.531 1.00 6.00 C
ATOM 165 CD ARG A 21 -11.668 26.697 27.731 1.00 6.00 C
ATOM 166 NE ARG A 21 -11.008 25.708 28.932 1.00 7.00 N
ATOM 167 CZ ARG A 21 -10.877 26.367 30.005 1.00 6.00 C
ATOM 168 NH1 ARG A 21 -10.217 28.015 29.816 1.00 7.00 N
ATOM 169 NH2 ARG A 21 -10.679 25.972 31.079 1.00 7.00 N
ATOM 170 N GLY A 22 -13.316 28.015 22.867 1.00 7.00 N
ATOM 171 CA GLY A 22 -13.513 29.136 22.109 1.00 6.00 C
ATOM 172 C GLY A 22 -12.195 29.663 21.162 1.00 6.00 C
ATOM 173 O GLY A 22 -12.063 30.586 20.467 1.00 8.00 O
ATOM 174 N TYR A 23 -11.404 28.345 20.846 1.00 7.00 N
ATOM 175 CA TYR A 23 -10.086 28.609 19.646 1.00 6.00 C
ATOM 176 C TYR A 23 -11.206 28.015 18.572 1.00 6.00 C
ATOM 177 O TYR A 23 -11.140 26.499 18.509 1.00 8.00 O
ATOM 178 CB TYR A 23 -8.965 28.147 20.214 1.00 6.00 C
ATOM 179 CG TYR A 23 -8.438 28.674 21.162 1.00 6.00 C
ATOM 180 CD1 TYR A 23 -7.712 29.993 20.846 1.00 6.00 C
ATOM 181 CD2 TYR A 23 -8.240 28.477 22.488 1.00 6.00 C
ATOM 182 CE1 TYR A 23 -7.383 30.652 21.730 1.00 6.00 C
ATOM 183 CE2 TYR A 23 -7.778 29.400 23.373 1.00 6.00 C
ATOM 184 CZ TYR A 23 -7.119 30.586 22.994 1.00 6.00 C
ATOM 185 OH TYR A 23 -6.460 31.377 24.004 1.00 8.00 O
ATOM 186 N SER A 24 -11.206 28.674 17.182 1.00 7.00 N
ATOM 187 CA SER A 24 -11.338 28.147 16.171 1.00 6.00 C
ATOM 188 C SER A 24 -10.877 27.158 15.161 1.00 6.00 C
ATOM 189 O SER A 24 -9.492 27.422 15.666 1.00 8.00 O
ATOM 190 CB SER A 24 -11.074 29.400 15.034 1.00 6.00 C
ATOM 191 OG SER A 24 -11.008 28.674 13.771 1.00 8.00 O
ATOM 192 N LEU A 25 -11.602 26.170 14.529 1.00 7.00 N
ATOM 193 CA LEU A 25 -10.547 25.379 13.897 1.00 6.00 C
ATOM 194 C LEU A 25 -9.295 25.576 13.266 1.00 6.00 C
ATOM 195 O LEU A 25 -8.108 24.851 13.266 1.00 8.00 O
ATOM 196 CB LEU A 25 -11.206 24.456 13.266 1.00 6.00 C
ATOM 197 CG LEU A 25 -11.074 23.137 13.266 1.00 6.00 C
ATOM 198 CD1 LEU A 25 -11.733 22.412 11.876 1.00 6.00 C
ATOM 199 CD2 LEU A 25 -9.888 22.478 12.255 1.00 6.00 C
ATOM 200 N GLY A 26 -8.965 26.433 12.760 1.00 7.00 N
ATOM 201 CA GLY A 26 -8.174 27.224 12.002 1.00 6.00 C
ATOM 202 C GLY A 26 -7.119 27.488 12.634 1.00 6.00 C
ATOM 203 O GLY A 26 -5.867 27.488 12.634 1.00 8.00 O
ATOM 204 N ASN A 27 -7.053 27.686 14.024 1.00 7.00 N
ATOM 205 CA ASN A 27 -6.262 28.279 15.161 1.00 6.00 C
ATOM 206 C ASN A 27 -5.273 27.026 15.224 1.00 6.00 C
ATOM 207 O ASN A 27 -3.955 27.554 15.161 1.00 8.00 O
ATOM 208 CB ASN A 27 -6.592 28.543 16.424 1.00 6.00 C
ATOM 209 CG ASN A 27 -6.790 30.059 16.424 1.00 6.00 C
ATOM 210 OD1 ASN A 27 -6.460 31.113 16.614 1.00 7.00 O
ATOM 211 ND2 ASN A 27 -8.569 30.784 16.298 1.00 7.00 N
ATOM 212 N TRP A 28 -5.933 25.840 15.287 1.00 7.00 N
ATOM 213 CA TRP A 28 -5.603 24.588 15.540 1.00 6.00 C
ATOM 214 C TRP A 28 -4.746 23.862 14.403 1.00 6.00 C
ATOM 215 O TRP A 28 -3.823 23.203 14.403 1.00 8.00 O
ATOM 216 CB TRP A 28 -6.658 23.533 15.792 1.00 6.00 C
ATOM 217 CG TRP A 28 -7.449 23.928 17.182 1.00 6.00 C
ATOM 218 CD1 TRP A 28 -8.504 24.588 17.308 1.00 6.00 C
ATOM 219 CD2 TRP A 28 -6.856 23.599 18.572 1.00 6.00 C
ATOM 220 NE1 TRP A 28 -8.701 24.456 18.698 1.00 7.00 N
ATOM 221 CE2 TRP A 28 -7.910 24.060 19.456 1.00 6.00 C
ATOM 222 CE3 TRP A 28 -5.801 23.137 18.951 1.00 6.00 C
ATOM 223 CZ2 TRP A 28 -7.712 24.192 20.846 1.00 6.00 C
ATOM 224 CZ3 TRP A 28 -5.471 23.269 20.404 1.00 6.00 C
ATOM 225 CH2 TRP A 28 -6.526 23.533 21.288 1.00 6.00 C
ATOM 226 N VAL A 29 -5.076 24.192 13.266 1.00 7.00 N
ATOM 227 CA VAL A 29 -4.614 23.731 11.876 1.00 6.00 C
ATOM 228 C VAL A 29 -3.362 24.588 11.560 1.00 6.00 C
ATOM 229 O VAL A 29 -2.241 24.258 11.244 1.00 8.00 O
ATOM 230 CB VAL A 29 -5.801 23.731 10.802 1.00 6.00 C
ATOM 231 CG1 VAL A 29 -4.944 23.599 9.665 1.00 6.00 C
ATOM 232 CG2 VAL A 29 -6.724 22.676 11.244 1.00 6.00 C
ATOM 233 N CYS A 30 -3.362 25.840 11.686 1.00 7.00 N
ATOM 234 CA CYS A 30 -2.109 26.697 11.560 1.00 6.00 C
ATOM 235 C CYS A 30 -1.318 26.631 12.571 1.00 6.00 C
ATOM 236 O CYS A 30 0.000 26.367 12.507 1.00 8.00 O
ATOM 237 CB CYS A 30 -2.703 28.345 11.497 1.00 6.00 C
ATOM 238 SG CYS A 30 -1.450 29.465 11.560 1.00 16.00 S
ATOM 239 N ALA A 31 -1.318 26.104 13.645 1.00 7.00 N
ATOM 240 CA ALA A 31 -0.791 25.840 14.718 1.00 6.00 C
ATOM 241 C ALA A 31 0.198 24.588 14.655 1.00 6.00 C
ATOM 242 O ALA A 31 1.318 24.851 14.971 1.00 8.00 O
ATOM 243 CB ALA A 31 -1.187 25.708 16.677 1.00 6.00 C
ATOM 244 N ALA A 32 -0.198 23.665 14.087 1.00 7.00 N
ATOM 245 CA ALA A 32 -0.198 22.478 14.592 1.00 6.00 C
ATOM 246 C ALA A 32 0.989 22.742 12.634 1.00 6.00 C
ATOM 247 O ALA A 32 2.043 21.819 12.381 1.00 8.00 O
ATOM 248 CB ALA A 32 -0.725 21.160 13.897 1.00 6.00 C
ATOM 249 N LYS A 33 0.659 23.599 11.876 1.00 7.00 N
ATOM 250 CA LYS A 33 1.384 23.467 10.612 1.00 6.00 C
ATOM 251 C LYS A 33 2.834 23.862 10.865 1.00 6.00 C
ATOM 252 O LYS A 33 3.955 23.599 10.612 1.00 8.00 O
ATOM 253 CB LYS A 33 0.791 24.653 9.854 1.00 6.00 C
ATOM 254 CG LYS A 33 1.912 25.049 8.781 1.00 6.00 C
ATOM 255 CD LYS A 33 1.846 24.653 7.454 1.00 6.00 C
ATOM 256 CE LYS A 33 2.900 24.917 6.506 1.00 6.00 C
ATOM 257 NZ LYS A 33 3.098 24.522 5.306 1.00 7.00 N
ATOM 258 N PHE A 34 2.966 25.379 11.370 1.00 7.00 N
ATOM 259 CA PHE A 34 3.955 25.906 11.749 1.00 6.00 C
ATOM 260 C PHE A 34 4.614 25.247 12.887 1.00 6.00 C
ATOM 261 O PHE A 34 5.801 25.379 12.887 1.00 8.00 O
ATOM 262 CB PHE A 34 3.494 27.356 12.002 1.00 6.00 C
ATOM 263 CG PHE A 34 3.362 27.949 10.612 1.00 6.00 C
ATOM 264 CD1 PHE A 34 2.241 29.004 10.297 1.00 6.00 C
ATOM 265 CD2 PHE A 34 4.614 27.949 9.728 1.00 6.00 C
ATOM 266 CE1 PHE A 34 1.978 29.663 9.160 1.00 6.00 C
ATOM 267 CE2 PHE A 34 4.417 28.674 8.402 1.00 6.00 C
ATOM 268 CZ PHE A 34 3.164 29.400 8.212 1.00 6.00 C
ATOM 269 N GLU A 35 3.889 24.653 13.771 1.00 7.00 N
ATOM 270 CA GLU A 35 4.680 23.796 14.971 1.00 6.00 C
ATOM 271 C GLU A 35 5.273 22.412 14.529 1.00 6.00 C
ATOM 272 O GLU A 35 6.526 22.149 14.845 1.00 8.00 O
ATOM 273 CB GLU A 35 4.087 23.599 15.982 1.00 6.00 C
ATOM 274 CG GLU A 35 3.757 23.665 17.308 1.00 6.00 C
ATOM 275 CD GLU A 35 4.680 24.522 17.940 1.00 6.00 C
ATOM 276 OE1 GLU A 35 5.603 24.588 17.687 1.00 8.00 O
ATOM 277 OE2 GLU A 35 4.153 25.642 18.509 1.00 8.00 O
ATOM 278 N SER A 36 4.680 21.687 13.834 1.00 7.00 N
ATOM 279 CA SER A 36 4.878 20.435 13.455 1.00 6.00 C
ATOM 280 C SER A 36 5.142 20.039 11.876 1.00 6.00 C
ATOM 281 O SER A 36 5.669 18.919 11.370 1.00 8.00 O
ATOM 282 CB SER A 36 4.285 19.446 14.024 1.00 6.00 C
ATOM 283 OG SER A 36 2.966 19.116 13.266 1.00 8.00 O
ATOM 284 N ASN A 37 4.614 20.896 11.118 1.00 7.00 N
ATOM 285 CA ASN A 37 4.680 20.632 9.665 1.00 6.00 C
ATOM 286 C ASN A 37 3.691 19.380 9.096 1.00 6.00 C
ATOM 287 O ASN A 37 3.691 19.380 7.959 1.00 8.00 O
ATOM 288 CB ASN A 37 5.735 20.896 9.033 1.00 6.00 C
ATOM 289 CG ASN A 37 5.867 21.687 7.707 1.00 6.00 C
ATOM 290 OD1 ASN A 37 5.273 22.478 7.391 1.00 7.00 O
ATOM 291 ND2 ASN A 37 6.790 21.358 7.075 1.00 7.00 N
ATOM 292 N PHE A 38 2.637 18.984 9.854 1.00 7.00 N
ATOM 293 CA PHE A 38 1.780 18.062 9.475 1.00 6.00 C
ATOM 294 C PHE A 38 1.978 16.743 9.602 1.00 6.00 C
ATOM 295 O PHE A 38 1.318 15.952 9.602 1.00 8.00 O
ATOM 296 CB PHE A 38 0.791 18.457 7.959 1.00 6.00 C
ATOM 297 CG PHE A 38 0.132 19.644 7.959 1.00 6.00 C
ATOM 298 CD1 PHE A 38 0.000 20.303 9.160 1.00 6.00 C
ATOM 299 CD2 PHE A 38 0.000 20.303 6.759 1.00 6.00 C
ATOM 300 CE1 PHE A 38 -0.989 21.687 9.096 1.00 6.00 C
ATOM 301 CE2 PHE A 38 -0.989 21.687 6.696 1.00 6.00 C
ATOM 302 CZ PHE A 38 -1.187 22.017 7.833 1.00 6.00 C
ATOM 303 N ASN A 39 3.296 16.941 10.107 1.00 7.00 N
ATOM 304 CA ASN A 39 4.021 15.754 10.676 1.00 6.00 C
ATOM 305 C ASN A 39 4.153 15.557 12.192 1.00 6.00 C
ATOM 306 O ASN A 39 4.680 16.150 13.076 1.00 8.00 O
ATOM 307 CB ASN A 39 5.801 15.820 10.423 1.00 6.00 C
ATOM 308 CG ASN A 39 6.460 14.634 10.360 1.00 6.00 C
ATOM 309 OD1 ASN A 39 5.933 13.316 10.739 1.00 7.00 O
ATOM 310 ND2 ASN A 39 7.581 14.634 9.981 1.00 7.00 N
ATOM 311 N THR A 40 3.230 14.502 12.318 1.00 7.00 N
ATOM 312 CA THR A 40 2.966 13.843 13.771 1.00 6.00 C
ATOM 313 C THR A 40 4.482 12.986 14.529 1.00 6.00 C
ATOM 314 O THR A 40 4.285 12.854 15.476 1.00 8.00 O
ATOM 315 CB THR A 40 1.978 12.722 13.645 1.00 6.00 C
ATOM 316 OG1 THR A 40 2.373 11.799 12.571 1.00 8.00 O
ATOM 317 CG2 THR A 40 0.725 12.986 13.392 1.00 6.00 C
ATOM 318 N GLN A 41 5.142 12.854 13.834 1.00 7.00 N
ATOM 319 CA GLN A 41 6.724 12.063 14.339 1.00 6.00 C
ATOM 320 C GLN A 41 7.581 12.788 14.782 1.00 6.00 C
ATOM 321 O GLN A 41 8.438 13.052 15.666 1.00 8.00 O
ATOM 322 CB GLN A 41 7.251 11.206 13.202 1.00 6.00 C
ATOM 323 CG GLN A 41 6.724 9.822 12.950 1.00 6.00 C
ATOM 324 CD GLN A 41 7.581 8.965 12.128 1.00 6.00 C
ATOM 325 OE1 GLN A 41 7.581 8.965 11.055 1.00 7.00 O
ATOM 326 NE2 GLN A 41 8.438 8.240 12.760 1.00 7.00 N
ATOM 327 N ALA A 42 7.581 14.304 14.213 1.00 7.00 N
ATOM 328 CA ALA A 42 8.569 15.293 14.339 1.00 6.00 C
ATOM 329 C ALA A 42 8.767 15.425 15.919 1.00 6.00 C
ATOM 330 O ALA A 42 8.042 15.029 16.740 1.00 8.00 O
ATOM 331 CB ALA A 42 7.910 16.545 13.771 1.00 6.00 C
ATOM 332 N THR A 43 10.151 15.491 16.298 1.00 7.00 N
ATOM 333 CA THR A 43 10.481 15.623 17.751 1.00 6.00 C
ATOM 334 C THR A 43 11.536 16.941 17.687 1.00 6.00 C
ATOM 335 O THR A 43 12.063 17.139 16.993 1.00 8.00 O
ATOM 336 CB THR A 43 11.206 14.370 17.814 1.00 6.00 C
ATOM 337 OG1 THR A 43 12.590 14.238 16.803 1.00 8.00 O
ATOM 338 CG2 THR A 43 10.415 12.986 17.561 1.00 6.00 C
ATOM 339 N ASN A 44 11.733 17.666 18.951 1.00 7.00 N
ATOM 340 CA ASN A 44 12.195 18.787 19.077 1.00 6.00 C
ATOM 341 C ASN A 44 12.854 18.984 20.530 1.00 6.00 C
ATOM 342 O ASN A 44 12.393 19.116 21.035 1.00 8.00 O
ATOM 343 CB ASN A 44 11.931 20.303 18.572 1.00 6.00 C
ATOM 344 CG ASN A 44 12.195 20.105 17.056 1.00 6.00 C
ATOM 345 OD1 ASN A 44 12.854 20.435 16.550 1.00 7.00 O
ATOM 346 ND2 ASN A 44 10.877 20.105 16.298 1.00 7.00 N
ATOM 347 N ARG A 45 14.370 19.116 20.656 1.00 7.00 N
ATOM 348 CA ARG A 45 14.766 19.248 21.857 1.00 6.00 C
ATOM 349 C ARG A 45 15.293 20.698 22.109 1.00 6.00 C
ATOM 350 O ARG A 45 15.886 21.292 21.351 1.00 8.00 O
ATOM 351 CB ARG A 45 16.348 18.457 21.920 1.00 6.00 C
ATOM 352 CG ARG A 45 17.007 18.128 23.246 1.00 6.00 C
ATOM 353 CD ARG A 45 17.798 16.809 23.562 1.00 6.00 C
ATOM 354 NE ARG A 45 17.930 16.216 24.762 1.00 7.00 N
ATOM 355 CZ ARG A 45 18.589 15.293 24.952 1.00 6.00 C
ATOM 356 NH1 ARG A 45 19.446 14.700 23.815 1.00 7.00 N
ATOM 357 NH2 ARG A 45 18.984 14.832 26.215 1.00 7.00 N
ATOM 358 N ASN A 46 14.898 21.226 23.373 1.00 7.00 N
ATOM 359 CA ASN A 46 15.161 22.676 23.499 1.00 6.00 C
ATOM 360 C ASN A 46 16.677 22.742 24.383 1.00 6.00 C
ATOM 361 O ASN A 46 17.139 21.423 24.889 1.00 8.00 O
ATOM 362 CB ASN A 46 13.513 23.071 23.815 1.00 6.00 C
ATOM 363 CG ASN A 46 12.656 22.676 23.183 1.00 6.00 C
ATOM 364 OD1 ASN A 46 11.997 21.951 23.752 1.00 7.00 O
ATOM 365 ND2 ASN A 46 12.393 23.071 22.741 1.00 7.00 N
ATOM 366 N THR A 47 17.271 23.401 25.268 1.00 7.00 N
ATOM 367 CA THR A 47 18.589 23.071 26.026 1.00 6.00 C
ATOM 368 C THR A 47 18.457 22.280 27.542 1.00 6.00 C
ATOM 369 O THR A 47 19.446 21.885 27.794 1.00 8.00 O
ATOM 370 CB THR A 47 19.116 24.522 26.152 1.00 6.00 C
ATOM 371 OG1 THR A 47 18.457 25.049 25.394 1.00 8.00 O
ATOM 372 CG2 THR A 47 20.567 24.390 25.710 1.00 6.00 C
ATOM 373 N ASP A 48 17.139 22.544 27.921 1.00 7.00 N
ATOM 374 CA ASP A 48 17.007 21.819 29.500 1.00 6.00 C
ATOM 375 C ASP A 48 16.545 20.501 29.626 1.00 6.00 C
ATOM 376 O ASP A 48 15.886 20.303 30.637 1.00 8.00 O
ATOM 377 CB ASP A 48 15.754 22.874 30.005 1.00 6.00 C
ATOM 378 CG ASP A 48 14.634 22.544 29.563 1.00 6.00 C
ATOM 379 OD1 ASP A 48 14.436 22.412 28.553 1.00 7.00 O
ATOM 380 OD2 ASP A 48 13.645 22.346 30.511 1.00 7.00 O
ATOM 381 N GLY A 49 16.809 19.512 28.742 1.00 7.00 N
ATOM 382 CA GLY A 49 16.480 17.930 28.805 1.00 6.00 C
ATOM 383 C GLY A 49 15.227 18.128 27.794 1.00 6.00 C
ATOM 384 O GLY A 49 15.293 17.732 26.847 1.00 8.00 O
ATOM 385 N SER A 50 14.370 18.457 28.237 1.00 7.00 N
ATOM 386 CA SER A 50 13.184 18.787 27.605 1.00 6.00 C
ATOM 387 C SER A 50 12.854 18.457 25.899 1.00 6.00 C
ATOM 388 O SER A 50 14.041 19.116 25.268 1.00 8.00 O
ATOM 389 CB SER A 50 12.393 19.907 27.921 1.00 6.00 C
ATOM 390 OG SER A 50 11.865 20.435 26.847 1.00 8.00 O
ATOM 391 N THR A 51 12.524 18.062 25.710 1.00 7.00 N
ATOM 392 CA THR A 51 11.931 17.798 24.257 1.00 6.00 C
ATOM 393 C THR A 51 10.547 17.864 24.004 1.00 6.00 C
ATOM 394 O THR A 51 9.756 17.732 24.636 1.00 8.00 O
ATOM 395 CB THR A 51 12.524 16.150 24.067 1.00 6.00 C
ATOM 396 OG1 THR A 51 13.777 15.952 24.004 1.00 8.00 O
ATOM 397 CG2 THR A 51 11.865 15.820 22.867 1.00 6.00 C
ATOM 398 N ASP A 52 10.020 17.996 22.741 1.00 7.00 N
ATOM 399 CA ASP A 52 8.899 18.457 22.109 1.00 6.00 C
ATOM 400 C ASP A 52 8.569 17.468 20.972 1.00 6.00 C
ATOM 401 O ASP A 52 9.426 17.139 20.404 1.00 8.00 O
ATOM 402 CB ASP A 52 9.097 19.841 21.351 1.00 6.00 C
ATOM 403 CG ASP A 52 8.965 20.830 22.172 1.00 6.00 C
ATOM 404 OD1 ASP A 52 8.965 20.830 23.373 1.00 8.00 O
ATOM 405 OD2 ASP A 52 9.031 22.083 21.857 1.00 8.00 O
ATOM 406 N TYR A 53 7.581 16.545 21.035 1.00 7.00 N
ATOM 407 CA TYR A 53 6.987 15.623 20.277 1.00 6.00 C
ATOM 408 C TYR A 53 5.933 15.820 19.519 1.00 6.00 C
ATOM 409 O TYR A 53 4.614 16.216 20.151 1.00 8.00 O
ATOM 410 CB TYR A 53 6.724 14.502 21.225 1.00 6.00 C
ATOM 411 CG TYR A 53 7.910 13.975 22.046 1.00 6.00 C
ATOM 412 CD1 TYR A 53 8.767 12.920 21.604 1.00 6.00 C
ATOM 413 CD2 TYR A 53 8.108 14.502 23.183 1.00 6.00 C
ATOM 414 CE1 TYR A 53 9.756 12.524 22.362 1.00 6.00 C
ATOM 415 CE2 TYR A 53 9.163 14.304 24.004 1.00 6.00 C
ATOM 416 CZ TYR A 53 10.020 13.184 23.499 1.00 6.00 C
ATOM 417 OH TYR A 53 11.338 12.920 24.257 1.00 8.00 O
ATOM 418 N GLY A 54 5.405 15.425 18.319 1.00 7.00 N
ATOM 419 CA GLY A 54 4.087 15.161 17.687 1.00 6.00 C
ATOM 420 C GLY A 54 3.757 16.480 17.119 1.00 6.00 C
ATOM 421 O GLY A 54 4.285 17.600 17.182 1.00 8.00 O
ATOM 422 N ILE A 55 2.637 16.282 16.424 1.00 7.00 N
ATOM 423 CA ILE A 55 1.846 17.600 15.413 1.00 6.00 C
ATOM 424 C ILE A 55 1.912 18.391 16.424 1.00 6.00 C
ATOM 425 O ILE A 55 1.780 19.775 15.919 1.00 8.00 O
ATOM 426 CB ILE A 55 0.527 16.875 15.161 1.00 6.00 C
ATOM 427 CG1 ILE A 55 -0.264 17.600 13.897 1.00 6.00 C
ATOM 428 CG2 ILE A 55 -0.659 17.007 16.424 1.00 6.00 C
ATOM 429 CD1 ILE A 55 0.395 17.139 12.634 1.00 6.00 C
ATOM 430 N LEU A 56 1.912 18.457 17.687 1.00 7.00 N
ATOM 431 CA LEU A 56 1.187 19.775 18.319 1.00 6.00 C
ATOM 432 C LEU A 56 2.175 20.237 19.456 1.00 6.00 C
ATOM 433 O LEU A 56 1.978 21.094 19.961 1.00 8.00 O
ATOM 434 CB LEU A 56 0.000 19.578 18.951 1.00 6.00 C
ATOM 435 CG LEU A 56 -0.989 20.303 18.951 1.00 6.00 C
ATOM 436 CD1 LEU A 56 -1.187 21.094 17.561 1.00 6.00 C
ATOM 437 CD2 LEU A 56 -2.769 19.973 18.951 1.00 6.00 C
ATOM 438 N GLN A 57 3.494 19.775 19.203 1.00 7.00 N
ATOM 439 CA GLN A 57 4.746 19.907 20.025 1.00 6.00 C
ATOM 440 C GLN A 57 4.548 19.841 21.478 1.00 6.00 C
ATOM 441 O GLN A 57 5.273 20.764 21.920 1.00 8.00 O
ATOM 442 CB GLN A 57 5.735 20.632 19.140 1.00 6.00 C
ATOM 443 CG GLN A 57 6.196 20.566 17.687 1.00 6.00 C
ATOM 444 CD GLN A 57 7.119 19.644 18.066 1.00 6.00 C
ATOM 445 OE1 GLN A 57 8.108 19.841 18.572 1.00 7.00 O
ATOM 446 NE2 GLN A 57 6.987 18.259 17.687 1.00 7.00 N
ATOM 447 N ILE A 58 3.889 18.853 21.983 1.00 7.00 N
ATOM 448 CA ILE A 58 3.889 18.853 23.373 1.00 6.00 C
ATOM 449 C ILE A 58 5.010 18.655 24.004 1.00 6.00 C
ATOM 450 O ILE A 58 5.801 17.666 23.436 1.00 8.00 O
ATOM 451 CB ILE A 58 2.769 18.128 23.815 1.00 6.00 C
ATOM 452 CG1 ILE A 58 1.780 18.193 22.867 1.00 6.00 C
ATOM 453 CG2 ILE A 58 2.373 18.457 25.394 1.00 6.00 C
ATOM 454 CD1 ILE A 58 0.659 17.139 22.994 1.00 6.00 C
ATOM 455 N ASN A 59 5.537 19.578 25.268 1.00 7.00 N
ATOM 456 CA ASN A 59 6.724 19.248 25.899 1.00 6.00 C
ATOM 457 C ASN A 59 6.658 18.128 26.973 1.00 6.00 C
ATOM 458 O ASN A 59 5.933 17.930 27.415 1.00 8.00 O
ATOM 459 CB ASN A 59 7.119 20.566 26.531 1.00 6.00 C
ATOM 460 CG ASN A 59 8.174 20.830 27.163 1.00 6.00 C
ATOM 461 OD1 ASN A 59 8.240 20.698 28.426 1.00 7.00 O
ATOM 462 ND2 ASN A 59 9.097 21.226 26.342 1.00 7.00 N
ATOM 463 N SER A 60 7.844 17.798 27.163 1.00 7.00 N
ATOM 464 CA SER A 60 8.042 16.611 28.426 1.00 6.00 C
ATOM 465 C SER A 60 8.569 16.941 29.690 1.00 6.00 C
ATOM 466 O SER A 60 8.372 16.018 30.511 1.00 8.00 O
ATOM 467 CB SER A 60 8.965 15.820 28.237 1.00 6.00 C
ATOM 468 OG SER A 60 10.283 16.282 27.921 1.00 8.00 O
ATOM 469 N ARG A 61 8.701 18.325 29.942 1.00 7.00 N
ATOM 470 CA ARG A 61 8.701 18.655 31.332 1.00 6.00 C
ATOM 471 C ARG A 61 7.449 18.655 32.027 1.00 6.00 C
ATOM 472 O ARG A 61 7.581 18.655 33.038 1.00 8.00 O
ATOM 473 CB ARG A 61 9.558 19.775 31.332 1.00 6.00 C
ATOM 474 CG ARG A 61 9.690 20.435 33.038 1.00 6.00 C
ATOM 475 CD ARG A 61 10.679 21.423 33.227 1.00 6.00 C
ATOM 476 NE ARG A 61 10.942 21.555 34.743 1.00 7.00 N
ATOM 477 CZ ARG A 61 11.997 21.951 35.122 1.00 6.00 C
ATOM 478 NH1 ARG A 61 12.986 22.214 34.238 1.00 7.00 N
ATOM 479 NH2 ARG A 61 11.997 22.544 36.386 1.00 7.00 N
ATOM 480 N TRP A 62 6.064 18.721 31.458 1.00 7.00 N
ATOM 481 CA TRP A 62 4.812 18.787 32.090 1.00 6.00 C
ATOM 482 C TRP A 62 3.955 17.930 31.458 1.00 6.00 C
ATOM 483 O TRP A 62 3.296 17.468 31.964 1.00 8.00 O
ATOM 484 CB TRP A 62 4.285 20.435 32.216 1.00 6.00 C
ATOM 485 CG TRP A 62 5.405 21.423 32.216 1.00 6.00 C
ATOM 486 CD1 TRP A 62 6.064 21.951 31.269 1.00 6.00 C
ATOM 487 CD2 TRP A 62 5.933 22.083 33.480 1.00 6.00 C
ATOM 488 NE1 TRP A 62 7.251 23.071 31.585 1.00 7.00 N
ATOM 489 CE2 TRP A 62 6.987 23.203 32.974 1.00 6.00 C
ATOM 490 CE3 TRP A 62 5.462 21.754 34.554 1.00 6.00 C
ATOM 491 CZ2 TRP A 62 7.401 23.829 33.946 1.00 6.00 C
ATOM 492 CZ3 TRP A 62 6.067 22.590 35.516 1.00 6.00 C
ATOM 493 CH2 TRP A 62 6.962 23.607 35.217 1.00 6.00 C
ATOM 494 N TRP A 63 3.757 17.666 30.195 1.00 7.00 N
ATOM 495 CA TRP A 63 2.703 16.875 29.563 1.00 6.00 C
ATOM 496 C TRP A 63 2.966 15.359 29.311 1.00 6.00 C
ATOM 497 O TRP A 63 1.978 14.832 29.437 1.00 8.00 O
ATOM 498 CB TRP A 63 2.175 17.600 28.047 1.00 6.00 C
ATOM 499 CG TRP A 63 1.978 19.182 28.426 1.00 6.00 C
ATOM 500 CD1 TRP A 63 2.966 20.039 27.731 1.00 6.00 C
ATOM 501 CD2 TRP A 63 1.121 19.512 29.437 1.00 6.00 C
ATOM 502 NE1 TRP A 63 2.505 21.226 28.426 1.00 7.00 N
ATOM 503 CE2 TRP A 63 1.450 21.028 29.311 1.00 6.00 C
ATOM 504 CE3 TRP A 63 0.264 18.984 30.384 1.00 6.00 C
ATOM 505 CZ2 TRP A 63 0.923 21.819 30.321 1.00 6.00 C
ATOM 506 CZ3 TRP A 63 -0.461 19.973 31.269 1.00 6.00 C
ATOM 507 CH2 TRP A 63 -0.132 21.160 31.206 1.00 6.00 C
ATOM 508 N CYS A 64 3.955 14.700 28.932 1.00 7.00 N
ATOM 509 CA CYS A 64 4.153 13.579 28.805 1.00 6.00 C
ATOM 510 C CYS A 64 5.801 13.118 29.184 1.00 6.00 C
ATOM 511 O CYS A 64 6.394 13.843 29.184 1.00 8.00 O
ATOM 512 CB CYS A 64 4.285 13.315 27.289 1.00 6.00 C
ATOM 513 SG CYS A 64 4.944 14.041 26.405 1.00 16.00 S
ATOM 514 N ASN A 65 5.603 11.865 29.690 1.00 7.00 N
ATOM 515 CA ASN A 65 6.921 11.470 30.195 1.00 6.00 C
ATOM 516 C ASN A 65 7.844 10.547 29.058 1.00 6.00 C
ATOM 517 O ASN A 65 6.921 10.020 28.173 1.00 8.00 O
ATOM 518 CB ASN A 65 6.724 10.283 31.142 1.00 6.00 C
ATOM 519 CG ASN A 65 8.042 9.756 31.711 1.00 6.00 C
ATOM 520 OD1 ASN A 65 8.833 10.217 31.964 1.00 8.00 O
ATOM 521 ND2 ASN A 65 7.910 8.438 31.837 1.00 8.00 N
ATOM 522 N ASP A 66 9.031 10.547 29.058 1.00 7.00 N
ATOM 523 CA ASP A 66 9.954 10.151 27.858 1.00 6.00 C
ATOM 524 C ASP A 66 11.074 9.888 28.426 1.00 6.00 C
ATOM 525 O ASP A 66 11.865 9.229 27.794 1.00 8.00 O
ATOM 526 CB ASP A 66 10.020 11.668 27.100 1.00 6.00 C
ATOM 527 CG ASP A 66 10.877 12.524 27.984 1.00 6.00 C
ATOM 528 OD1 ASP A 66 11.206 12.524 28.932 1.00 7.00 O
ATOM 529 OD2 ASP A 66 11.602 13.447 27.226 1.00 7.00 O
ATOM 530 N GLY A 67 11.536 9.492 29.690 1.00 7.00 N
ATOM 531 CA GLY A 67 12.195 8.833 30.321 1.00 6.00 C
ATOM 532 C GLY A 67 13.184 9.229 30.511 1.00 6.00 C
ATOM 533 O GLY A 67 14.238 8.701 31.206 1.00 8.00 O
ATOM 534 N ARG A 68 13.909 10.679 29.816 1.00 7.00 N
ATOM 535 CA ARG A 68 15.029 11.404 30.005 1.00 6.00 C
ATOM 536 C ARG A 68 14.963 12.722 30.321 1.00 6.00 C
ATOM 537 O ARG A 68 15.952 13.381 30.069 1.00 8.00 O
ATOM 538 CB ARG A 68 16.150 11.206 28.679 1.00 6.00 C
ATOM 539 CG ARG A 68 15.293 11.865 27.731 1.00 6.00 C
ATOM 540 CD ARG A 68 16.480 12.195 26.657 1.00 6.00 C
ATOM 541 NE ARG A 68 15.820 12.524 25.268 1.00 7.00 N
ATOM 542 CZ ARG A 68 16.480 12.920 24.383 1.00 6.00 C
ATOM 543 NH1 ARG A 68 17.798 12.986 24.573 1.00 7.00 N
ATOM 544 NH2 ARG A 68 15.952 13.381 23.246 1.00 7.00 N
ATOM 545 N THR A 69 13.975 13.315 30.763 1.00 7.00 N
ATOM 546 CA THR A 69 13.843 14.700 31.079 1.00 6.00 C
ATOM 547 C THR A 69 13.513 14.700 32.659 1.00 6.00 C
ATOM 548 O THR A 69 12.195 14.700 32.722 1.00 8.00 O
ATOM 549 CB THR A 69 12.524 15.161 30.321 1.00 6.00 C
ATOM 550 OG1 THR A 69 12.920 15.095 28.932 1.00 8.00 O
ATOM 551 CG2 THR A 69 12.327 16.809 30.763 1.00 6.00 C
ATOM 552 N PRO A 70 14.370 14.700 33.353 1.00 7.00 N
ATOM 553 CA PRO A 70 14.172 14.832 34.869 1.00 6.00 C
ATOM 554 C PRO A 70 13.250 15.754 35.627 1.00 6.00 C
ATOM 555 O PRO A 70 12.524 15.161 36.512 1.00 8.00 O
ATOM 556 CB PRO A 70 15.359 14.963 35.501 1.00 6.00 C
ATOM 557 CG PRO A 70 16.018 14.832 34.364 1.00 6.00 C
ATOM 558 CD PRO A 70 15.623 14.832 33.038 1.00 6.00 C
ATOM 559 N GLY A 71 12.854 16.809 35.122 1.00 7.00 N
ATOM 560 CA GLY A 71 11.865 17.666 35.754 1.00 6.00 C
ATOM 561 C GLY A 71 10.547 17.139 35.754 1.00 6.00 C
ATOM 562 O GLY A 71 9.888 17.798 36.449 1.00 8.00 O
ATOM 563 N SER A 72 10.547 16.150 35.059 1.00 7.00 N
ATOM 564 CA SER A 72 9.229 15.623 34.806 1.00 6.00 C
ATOM 565 C SER A 72 8.042 15.029 36.007 1.00 6.00 C
ATOM 566 O SER A 72 8.306 14.502 36.891 1.00 8.00 O
ATOM 567 CB SER A 72 9.426 14.172 33.985 1.00 6.00 C
ATOM 568 OG SER A 72 9.558 14.832 32.848 1.00 8.00 O
ATOM 569 N ARG A 73 6.987 15.689 35.627 1.00 7.00 N
ATOM 570 CA ARG A 73 5.867 15.689 36.259 1.00 6.00 C
ATOM 571 C ARG A 73 4.944 15.293 34.996 1.00 6.00 C
ATOM 572 O ARG A 73 5.273 15.491 33.985 1.00 8.00 O
ATOM 573 CB ARG A 73 5.273 17.139 36.891 1.00 6.00 C
ATOM 574 CG ARG A 73 5.933 17.798 38.533 1.00 6.00 C
ATOM 575 CD ARG A 73 6.021 18.812 38.399 1.00 6.00 C
ATOM 576 NE ARG A 73 6.762 19.228 39.600 1.00 7.00 N
ATOM 577 CZ ARG A 73 7.185 20.494 39.810 1.00 6.00 C
ATOM 578 NH1 ARG A 73 7.090 21.419 38.847 1.00 7.00 N
ATOM 579 NH2 ARG A 73 7.692 20.811 40.987 1.00 7.00 N
ATOM 580 N ASN A 74 4.021 14.041 35.059 1.00 7.00 N
ATOM 581 CA ASN A 74 3.757 13.711 33.985 1.00 6.00 C
ATOM 582 C ASN A 74 1.780 13.975 34.111 1.00 6.00 C
ATOM 583 O ASN A 74 0.791 13.052 34.238 1.00 8.00 O
ATOM 584 CB ASN A 74 3.691 11.931 33.796 1.00 6.00 C
ATOM 585 CG ASN A 74 3.230 11.536 32.216 1.00 6.00 C
ATOM 586 OD1 ASN A 74 3.296 10.679 32.090 1.00 7.00 O
ATOM 587 ND2 ASN A 74 2.505 12.524 31.585 1.00 7.00 N
ATOM 588 N LEU A 75 1.846 15.491 33.669 1.00 7.00 N
ATOM 589 CA LEU A 75 0.725 16.018 33.732 1.00 6.00 C
ATOM 590 C LEU A 75 -0.264 15.359 32.722 1.00 6.00 C
ATOM 591 O LEU A 75 -1.516 14.766 32.848 1.00 8.00 O
ATOM 592 CB LEU A 75 0.461 17.798 33.796 1.00 6.00 C
ATOM 593 CG LEU A 75 0.791 18.128 34.933 1.00 6.00 C
ATOM 594 CD1 LEU A 75 -0.198 17.468 36.007 1.00 6.00 C
ATOM 595 CD2 LEU A 75 2.109 17.600 35.312 1.00 6.00 C
ATOM 596 N CYS A 76 -0.132 15.029 31.332 1.00 7.00 N
ATOM 597 CA CYS A 76 -1.187 14.107 30.700 1.00 6.00 C
ATOM 598 C CYS A 76 -0.791 12.524 30.827 1.00 6.00 C
ATOM 599 O CYS A 76 -1.648 11.997 30.258 1.00 8.00 O
ATOM 600 CB CYS A 76 -1.384 14.436 29.058 1.00 6.00 C
ATOM 601 SG CYS A 76 -1.714 16.150 28.426 1.00 16.00 S
ATOM 602 N ASN A 77 -0.132 11.997 31.711 1.00 7.00 N
ATOM 603 CA ASN A 77 -0.066 10.942 32.280 1.00 6.00 C
ATOM 604 C ASN A 77 0.000 9.888 30.827 1.00 6.00 C
ATOM 605 O ASN A 77 -0.659 8.965 30.827 1.00 8.00 O
ATOM 606 CB ASN A 77 -1.121 10.415 33.038 1.00 6.00 C
ATOM 607 CG ASN A 77 -0.791 9.558 34.048 1.00 6.00 C
ATOM 608 OD1 ASN A 77 -0.132 8.372 33.985 1.00 7.00 O
ATOM 609 ND2 ASN A 77 -0.659 9.624 35.375 1.00 7.00 N
ATOM 610 N ILE A 78 0.659 10.217 29.942 1.00 7.00 N
ATOM 611 CA ILE A 78 0.791 9.492 28.679 1.00 6.00 C
ATOM 612 C ILE A 78 2.307 9.492 28.426 1.00 6.00 C
ATOM 613 O ILE A 78 3.164 10.415 28.553 1.00 8.00 O
ATOM 614 CB ILE A 78 0.132 9.888 27.479 1.00 6.00 C
ATOM 615 CG1 ILE A 78 0.132 9.097 26.278 1.00 6.00 C
ATOM 616 CG2 ILE A 78 0.857 11.404 27.163 1.00 6.00 C
ATOM 617 CD1 ILE A 78 -0.659 7.778 26.531 1.00 6.00 C
ATOM 618 N PRO A 79 3.098 8.569 27.858 1.00 7.00 N
ATOM 619 CA PRO A 79 4.614 8.569 27.542 1.00 6.00 C
ATOM 620 C PRO A 79 4.746 9.426 26.152 1.00 6.00 C
ATOM 621 O PRO A 79 3.955 8.899 25.268 1.00 8.00 O
ATOM 622 CB PRO A 79 5.010 7.053 27.479 1.00 6.00 C
ATOM 623 CG PRO A 79 3.691 6.262 27.479 1.00 6.00 C
ATOM 624 CD PRO A 79 2.571 7.317 27.668 1.00 6.00 C
ATOM 625 N CYS A 80 5.405 10.151 26.152 1.00 7.00 N
ATOM 626 CA CYS A 80 5.933 11.206 24.762 1.00 6.00 C
ATOM 627 C CYS A 80 5.405 10.679 23.436 1.00 6.00 C
ATOM 628 O CYS A 80 4.746 11.206 22.615 1.00 8.00 O
ATOM 629 CB CYS A 80 7.383 11.931 25.268 1.00 6.00 C
ATOM 630 SG CYS A 80 7.119 13.184 26.531 1.00 16.00 S
ATOM 631 N SER A 81 6.130 9.492 23.309 1.00 7.00 N
ATOM 632 CA SER A 81 5.999 8.635 22.299 1.00 6.00 C
ATOM 633 C SER A 81 4.746 8.306 21.730 1.00 6.00 C
ATOM 634 O SER A 81 4.614 8.306 20.340 1.00 8.00 O
ATOM 635 CB SER A 81 6.856 7.515 22.741 1.00 6.00 C
ATOM 636 OG SER A 81 5.801 6.130 23.120 1.00 8.00 O
ATOM 637 N ALA A 82 3.889 8.108 22.551 1.00 7.00 N
ATOM 638 CA ALA A 82 2.307 8.108 22.236 1.00 6.00 C
ATOM 639 C ALA A 82 2.043 9.229 21.225 1.00 6.00 C
ATOM 640 O ALA A 82 0.989 8.899 20.214 1.00 8.00 O
ATOM 641 CB ALA A 82 1.318 8.174 23.373 1.00 6.00 C
ATOM 642 N LEU A 83 2.571 10.415 21.604 1.00 7.00 N
ATOM 643 CA LEU A 83 2.439 11.536 20.846 1.00 6.00 C
ATOM 644 C LEU A 83 2.637 11.470 19.330 1.00 6.00 C
ATOM 645 O LEU A 83 1.978 12.195 18.698 1.00 8.00 O
ATOM 646 CB LEU A 83 2.966 12.920 21.541 1.00 6.00 C
ATOM 647 CG LEU A 83 2.109 12.920 22.867 1.00 6.00 C
ATOM 648 CD1 LEU A 83 2.637 14.172 23.625 1.00 6.00 C
ATOM 649 CD2 LEU A 83 0.593 12.986 22.551 1.00 6.00 C
ATOM 650 N LEU A 84 3.428 10.679 19.077 1.00 7.00 N
ATOM 651 CA LEU A 84 4.021 10.679 17.624 1.00 6.00 C
ATOM 652 C LEU A 84 3.428 9.756 16.677 1.00 6.00 C
ATOM 653 O LEU A 84 3.625 9.558 15.666 1.00 8.00 O
ATOM 654 CB LEU A 84 5.603 10.217 17.056 1.00 6.00 C
ATOM 655 CG LEU A 84 6.724 10.547 18.509 1.00 6.00 C
ATOM 656 CD1 LEU A 84 7.844 10.086 18.003 1.00 6.00 C
ATOM 657 CD2 LEU A 84 6.460 12.327 18.193 1.00 6.00 C
ATOM 658 N SER A 85 2.505 8.899 17.182 1.00 7.00 N
ATOM 659 CA SER A 85 1.846 7.910 16.361 1.00 6.00 C
ATOM 660 C SER A 85 0.330 8.569 15.413 1.00 6.00 C
ATOM 661 O SER A 85 0.330 9.888 15.287 1.00 8.00 O
ATOM 662 CB SER A 85 1.055 6.856 17.182 1.00 6.00 C
ATOM 663 OG SER A 85 0.000 7.317 18.003 1.00 8.00 O
ATOM 664 N SER A 86 0.066 7.976 14.403 1.00 7.00 N
ATOM 665 CA SER A 86 -0.264 8.503 13.329 1.00 6.00 C
ATOM 666 C SER A 86 -1.780 8.569 13.645 1.00 6.00 C
ATOM 667 O SER A 86 -2.439 9.097 13.139 1.00 8.00 O
ATOM 668 CB SER A 86 -0.066 7.647 12.002 1.00 6.00 C
ATOM 669 OG SER A 86 0.906 7.237 11.514 1.00 8.00 O
ATOM 670 N ASP A 87 -2.109 8.306 14.908 1.00 7.00 N
ATOM 671 CA ASP A 87 -3.428 8.899 15.413 1.00 6.00 C
ATOM 672 C ASP A 87 -3.362 9.954 16.677 1.00 6.00 C
ATOM 673 O ASP A 87 -2.505 9.690 17.435 1.00 8.00 O
ATOM 674 CB ASP A 87 -3.757 7.778 16.234 1.00 6.00 C
ATOM 675 CG ASP A 87 -5.142 7.581 16.424 1.00 6.00 C
ATOM 676 OD1 ASP A 87 -5.801 8.042 17.056 1.00 8.00 O
ATOM 677 OD2 ASP A 87 -5.867 6.987 15.729 1.00 8.00 O
ATOM 678 N ILE A 88 -3.757 11.008 16.424 1.00 7.00 N
ATOM 679 CA ILE A 88 -3.823 12.261 17.182 1.00 6.00 C
ATOM 680 C ILE A 88 -4.614 12.063 18.509 1.00 6.00 C
ATOM 681 O ILE A 88 -4.417 13.513 18.951 1.00 8.00 O
ATOM 682 CB ILE A 88 -3.823 13.645 16.424 1.00 6.00 C
ATOM 683 CG1 ILE A 88 -5.076 13.645 15.919 1.00 6.00 C
ATOM 684 CG2 ILE A 88 -2.769 13.513 15.161 1.00 6.00 C
ATOM 685 CD1 ILE A 88 -5.933 15.029 15.350 1.00 6.00 C
ATOM 686 N THR A 89 -5.010 11.074 18.824 1.00 7.00 N
ATOM 687 CA THR A 89 -5.933 11.008 19.961 1.00 6.00 C
ATOM 688 C THR A 89 -5.405 11.865 21.225 1.00 6.00 C
ATOM 689 O THR A 89 -5.933 12.524 21.478 1.00 8.00 O
ATOM 690 CB THR A 89 -6.262 9.756 20.214 1.00 6.00 C
ATOM 691 OG1 THR A 89 -7.251 9.229 19.140 1.00 8.00 O
ATOM 692 CG2 THR A 89 -7.251 9.888 21.478 1.00 6.00 C
ATOM 693 N ALA A 90 -4.482 10.942 21.478 1.00 7.00 N
ATOM 694 CA ALA A 90 -3.230 11.668 22.425 1.00 6.00 C
ATOM 695 C ALA A 90 -3.164 12.722 22.615 1.00 6.00 C
ATOM 696 O ALA A 90 -3.296 13.184 23.373 1.00 8.00 O
ATOM 697 CB ALA A 90 -2.307 10.217 22.425 1.00 6.00 C
ATOM 698 N SER A 91 -2.703 13.184 21.604 1.00 7.00 N
ATOM 699 CA SER A 91 -2.175 14.766 21.478 1.00 6.00 C
ATOM 700 C SER A 91 -3.164 15.623 21.730 1.00 6.00 C
ATOM 701 O SER A 91 -3.164 16.348 22.425 1.00 8.00 O
ATOM 702 CB SER A 91 -1.582 14.963 20.025 1.00 6.00 C
ATOM 703 OG SER A 91 -0.396 13.975 19.709 1.00 8.00 O
ATOM 704 N VAL A 92 -4.285 15.491 20.846 1.00 7.00 N
ATOM 705 CA VAL A 92 -5.339 16.348 20.909 1.00 6.00 C
ATOM 706 C VAL A 92 -5.999 16.348 22.362 1.00 6.00 C
ATOM 707 O VAL A 92 -6.130 17.007 22.804 1.00 8.00 O
ATOM 708 CB VAL A 92 -6.856 15.820 19.961 1.00 6.00 C
ATOM 709 CG1 VAL A 92 -7.976 15.952 20.088 1.00 6.00 C
ATOM 710 CG2 VAL A 92 -5.933 16.150 18.445 1.00 6.00 C
ATOM 711 N ASN A 93 -5.933 14.963 22.804 1.00 7.00 N
ATOM 712 CA ASN A 93 -6.658 14.766 24.257 1.00 6.00 C
ATOM 713 C ASN A 93 -5.735 15.293 25.268 1.00 6.00 C
ATOM 714 O ASN A 93 -6.262 15.886 26.089 1.00 8.00 O
ATOM 715 CB ASN A 93 -6.724 13.118 24.447 1.00 6.00 C
ATOM 716 CG ASN A 93 -7.976 12.590 24.194 1.00 6.00 C
ATOM 717 OD1 ASN A 93 -8.767 13.184 24.004 1.00 7.00 O
ATOM 718 ND2 ASN A 93 -8.042 11.206 24.383 1.00 7.00 N
ATOM 719 N CYS A 94 -4.614 15.425 25.015 1.00 7.00 N
ATOM 720 CA CYS A 94 -3.362 16.084 25.836 1.00 6.00 C
ATOM 721 C CYS A 94 -3.428 17.600 25.710 1.00 6.00 C
ATOM 722 O CYS A 94 -3.428 18.523 26.531 1.00 8.00 O
ATOM 723 CB CYS A 94 -2.175 15.754 25.268 1.00 6.00 C
ATOM 724 SG CYS A 94 -0.791 16.150 26.405 1.00 16.00 S
ATOM 725 N ALA A 95 -3.428 17.930 24.447 1.00 7.00 N
ATOM 726 CA ALA A 95 -3.691 19.446 23.941 1.00 6.00 C
ATOM 727 C ALA A 95 -4.746 19.973 24.699 1.00 6.00 C
ATOM 728 O ALA A 95 -4.746 20.962 24.889 1.00 8.00 O
ATOM 729 CB ALA A 95 -3.955 19.182 22.425 1.00 6.00 C
ATOM 730 N LYS A 96 -5.933 19.446 24.889 1.00 7.00 N
ATOM 731 CA LYS A 96 -7.053 19.710 25.647 1.00 6.00 C
ATOM 732 C LYS A 96 -6.592 20.105 27.163 1.00 6.00 C
ATOM 733 O LYS A 96 -7.053 21.358 27.415 1.00 8.00 O
ATOM 734 CB LYS A 96 -8.108 18.787 25.584 1.00 6.00 C
ATOM 735 CG LYS A 96 -8.833 18.787 24.194 1.00 6.00 C
ATOM 736 CD LYS A 96 -10.020 18.193 24.131 1.00 6.00 C
ATOM 737 CE LYS A 96 -10.679 17.666 22.867 1.00 6.00 C
ATOM 738 NZ LYS A 96 -11.206 16.150 23.120 1.00 7.00 N
ATOM 739 N LYS A 97 -5.801 19.775 27.794 1.00 7.00 N
ATOM 740 CA LYS A 97 -5.273 20.303 29.247 1.00 6.00 C
ATOM 741 C LYS A 97 -4.285 21.423 29.121 1.00 6.00 C
ATOM 742 O LYS A 97 -4.417 21.951 30.511 1.00 8.00 O
ATOM 743 CB LYS A 97 -5.076 19.116 29.879 1.00 6.00 C
ATOM 744 CG LYS A 97 -5.801 17.930 30.005 1.00 6.00 C
ATOM 745 CD LYS A 97 -5.273 16.941 31.079 1.00 6.00 C
ATOM 746 CE LYS A 97 -6.724 16.480 32.153 1.00 6.00 C
ATOM 747 NZ LYS A 97 -6.122 15.643 33.146 1.00 7.00 N
ATOM 748 N ILE A 98 -3.757 21.489 28.047 1.00 7.00 N
ATOM 749 CA ILE A 98 -2.835 22.742 27.921 1.00 6.00 C
ATOM 750 C ILE A 98 -3.428 24.060 27.542 1.00 6.00 C
ATOM 751 O ILE A 98 -3.164 24.653 27.984 1.00 8.00 O
ATOM 752 CB ILE A 98 -1.846 22.412 26.721 1.00 6.00 C
ATOM 753 CG1 ILE A 98 -1.055 21.094 27.163 1.00 6.00 C
ATOM 754 CG2 ILE A 98 -0.989 23.731 26.721 1.00 6.00 C
ATOM 755 CD1 ILE A 98 -0.330 20.105 25.899 1.00 6.00 C
ATOM 756 N VAL A 99 -4.482 23.862 26.721 1.00 7.00 N
ATOM 757 CA VAL A 99 -5.076 24.851 26.278 1.00 6.00 C
ATOM 758 C VAL A 99 -6.262 25.379 27.416 1.00 6.00 C
ATOM 759 O VAL A 99 -6.856 26.433 27.289 1.00 8.00 O
ATOM 760 CB VAL A 99 -6.328 24.653 25.015 1.00 6.00 C
ATOM 761 CG1 VAL A 99 -7.449 23.731 25.647 1.00 6.00 C
ATOM 762 CG2 VAL A 99 -6.724 25.510 24.383 1.00 6.00 C
ATOM 763 N SER A 100 -6.262 24.522 28.553 1.00 7.00 N
ATOM 764 CA SER A 100 -7.581 24.851 29.563 1.00 6.00 C
ATOM 765 C SER A 100 -6.724 25.049 30.953 1.00 6.00 C
ATOM 766 O SER A 100 -7.449 25.247 31.648 1.00 8.00 O
ATOM 767 CB SER A 100 -8.240 24.060 29.816 1.00 6.00 C
ATOM 768 OG SER A 100 -9.097 23.203 28.995 1.00 8.00 O
ATOM 769 N ASP A 101 -5.537 25.379 30.953 1.00 7.00 N
ATOM 770 CA ASP A 101 -4.944 25.313 32.153 1.00 6.00 C
ATOM 771 C ASP A 101 -4.746 26.697 32.406 1.00 6.00 C
ATOM 772 O ASP A 101 -5.142 27.158 33.353 1.00 8.00 O
ATOM 773 CB ASP A 101 -3.626 24.588 32.343 1.00 6.00 C
ATOM 774 CG ASP A 101 -3.253 23.268 31.950 1.00 6.00 C
ATOM 775 OD1 ASP A 101 -4.205 22.509 31.996 1.00 8.00 O
ATOM 776 OD2 ASP A 101 -2.170 22.841 31.654 1.00 8.00 O
ATOM 777 N GLY A 102 -4.417 27.686 31.585 1.00 7.00 N
ATOM 778 CA GLY A 102 -4.482 29.004 31.774 1.00 6.00 C
ATOM 779 C GLY A 102 -4.219 29.993 30.700 1.00 6.00 C
ATOM 780 O GLY A 102 -4.614 30.982 30.700 1.00 8.00 O
ATOM 781 N ASN A 103 -3.626 29.597 29.563 1.00 7.00 N
ATOM 782 CA ASN A 103 -2.769 30.454 28.679 1.00 6.00 C
ATOM 783 C ASN A 103 -3.032 30.520 27.226 1.00 6.00 C
ATOM 784 O ASN A 103 -2.439 30.982 26.405 1.00 8.00 O
ATOM 785 CB ASN A 103 -1.450 30.322 28.742 1.00 6.00 C
ATOM 786 CG ASN A 103 -0.791 30.586 30.321 1.00 6.00 C
ATOM 787 OD1 ASN A 103 -0.659 31.641 30.448 1.00 8.00 O
ATOM 788 ND2 ASN A 103 -0.132 29.993 30.953 1.00 8.00 N
ATOM 789 N GLY A 104 -4.087 29.729 27.163 1.00 7.00 N
ATOM 790 CA GLY A 104 -4.614 29.334 25.899 1.00 6.00 C
ATOM 791 C GLY A 104 -3.560 28.806 25.015 1.00 6.00 C
ATOM 792 O GLY A 104 -2.637 28.015 25.647 1.00 8.00 O
ATOM 793 N MET A 105 -3.823 29.268 23.752 1.00 7.00 N
ATOM 794 CA MET A 105 -2.966 28.674 22.741 1.00 6.00 C
ATOM 795 C MET A 105 -1.648 29.465 22.741 1.00 6.00 C
ATOM 796 O MET A 105 -0.659 29.334 21.920 1.00 8.00 O
ATOM 797 CB MET A 105 -3.494 28.740 21.414 1.00 6.00 C
ATOM 798 CG MET A 105 -4.614 27.949 21.730 1.00 6.00 C
ATOM 799 SD MET A 105 -5.076 27.488 20.025 1.00 16.00 S
ATOM 800 CE MET A 105 -3.823 26.367 19.203 1.00 6.00 C
ATOM 801 N ASN A 106 -1.450 30.322 23.752 1.00 7.00 N
ATOM 802 CA ASN A 106 -0.198 31.311 24.004 1.00 6.00 C
ATOM 803 C ASN A 106 0.857 30.388 24.510 1.00 6.00 C
ATOM 804 O ASN A 106 1.978 30.718 24.320 1.00 8.00 O
ATOM 805 CB ASN A 106 -0.725 32.300 25.015 1.00 6.00 C
ATOM 806 CG ASN A 106 -1.187 33.618 24.068 1.00 6.00 C
ATOM 807 OD1 ASN A 106 -0.659 34.278 23.373 1.00 7.00 O
ATOM 808 ND2 ASN A 106 -2.241 33.948 24.636 1.00 7.00 N
ATOM 809 N ALA A 107 0.659 29.334 25.268 1.00 7.00 N
ATOM 810 CA ALA A 107 1.318 28.213 25.647 1.00 6.00 C
ATOM 811 C ALA A 107 1.978 27.554 24.447 1.00 6.00 C
ATOM 812 O ALA A 107 3.164 26.829 24.573 1.00 8.00 O
ATOM 813 CB ALA A 107 0.659 26.829 26.531 1.00 6.00 C
ATOM 814 N TRP A 108 1.846 27.686 23.309 1.00 7.00 N
ATOM 815 CA TRP A 108 2.373 27.554 22.109 1.00 6.00 C
ATOM 816 C TRP A 108 3.164 28.806 21.351 1.00 6.00 C
ATOM 817 O TRP A 108 2.373 29.136 20.530 1.00 8.00 O
ATOM 818 CB TRP A 108 1.648 26.829 20.909 1.00 6.00 C
ATOM 819 CG TRP A 108 1.055 25.510 21.288 1.00 6.00 C
ATOM 820 CD1 TRP A 108 1.780 24.390 20.972 1.00 6.00 C
ATOM 821 CD2 TRP A 108 -0.198 24.851 21.920 1.00 6.00 C
ATOM 822 NE1 TRP A 108 0.791 23.137 21.288 1.00 7.00 N
ATOM 823 CE2 TRP A 108 -0.132 23.533 21.857 1.00 6.00 C
ATOM 824 CE3 TRP A 108 -1.187 25.576 22.362 1.00 6.00 C
ATOM 825 CZ2 TRP A 108 -1.318 22.874 22.299 1.00 6.00 C
ATOM 826 CZ3 TRP A 108 -2.109 24.851 22.867 1.00 6.00 C
ATOM 827 CH2 TRP A 108 -2.109 23.467 22.867 1.00 6.00 C
ATOM 828 N VAL A 109 4.351 28.806 21.857 1.00 7.00 N
ATOM 829 CA VAL A 109 5.273 29.861 21.288 1.00 6.00 C
ATOM 830 C VAL A 109 4.944 30.125 19.709 1.00 6.00 C
ATOM 831 O VAL A 109 4.614 31.509 19.330 1.00 8.00 O
ATOM 832 CB VAL A 109 6.658 29.531 21.351 1.00 6.00 C
ATOM 833 CG1 VAL A 109 6.995 28.230 20.251 1.00 6.00 C
ATOM 834 CG2 VAL A 109 7.581 30.652 20.846 1.00 6.00 C
ATOM 835 N ALA A 110 4.812 29.268 18.888 1.00 7.00 N
ATOM 836 CA ALA A 110 4.482 29.466 17.435 1.00 6.00 C
ATOM 837 C ALA A 110 3.164 29.993 17.056 1.00 6.00 C
ATOM 838 O ALA A 110 3.032 30.784 16.171 1.00 8.00 O
ATOM 839 CB ALA A 110 4.614 27.818 16.487 1.00 6.00 C
ATOM 840 N TRP A 111 1.978 29.663 17.435 1.00 7.00 N
ATOM 841 CA TRP A 111 0.461 30.322 17.182 1.00 6.00 C
ATOM 842 C TRP A 111 0.593 31.707 17.308 1.00 6.00 C
ATOM 843 O TRP A 111 0.000 32.630 16.424 1.00 8.00 O
ATOM 844 CB TRP A 111 -0.659 29.268 17.940 1.00 6.00 C
ATOM 845 CG TRP A 111 -1.846 30.125 18.066 1.00 6.00 C
ATOM 846 CD1 TRP A 111 -2.637 29.861 17.182 1.00 6.00 C
ATOM 847 CD2 TRP A 111 -2.175 30.850 19.140 1.00 6.00 C
ATOM 848 NE1 TRP A 111 -3.889 30.520 17.687 1.00 7.00 N
ATOM 849 CE2 TRP A 111 -3.691 31.179 18.888 1.00 6.00 C
ATOM 850 CE3 TRP A 111 -1.780 31.509 20.214 1.00 6.00 C
ATOM 851 CZ2 TRP A 111 -4.153 31.970 19.709 1.00 6.00 C
ATOM 852 CZ3 TRP A 111 -2.307 32.036 20.972 1.00 6.00 C
ATOM 853 CH2 TRP A 111 -3.823 32.300 20.783 1.00 6.00 C
ATOM 854 N ARG A 112 1.121 31.839 18.509 1.00 7.00 N
ATOM 855 CA ARG A 112 1.318 33.289 19.203 1.00 6.00 C
ATOM 856 C ARG A 112 2.175 34.014 18.130 1.00 6.00 C
ATOM 857 O ARG A 112 1.648 35.069 17.687 1.00 8.00 O
ATOM 858 CB ARG A 112 2.043 33.091 20.467 1.00 6.00 C
ATOM 859 CG ARG A 112 2.109 34.739 21.099 1.00 6.00 C
ATOM 860 CD ARG A 112 3.032 34.607 22.362 1.00 6.00 C
ATOM 861 NE ARG A 112 2.307 33.618 23.373 1.00 7.00 N
ATOM 862 CZ ARG A 112 3.019 33.140 24.395 1.00 6.00 C
ATOM 863 NH1 ARG A 112 4.338 33.335 24.539 1.00 7.00 N
ATOM 864 NH2 ARG A 112 2.351 32.434 25.289 1.00 7.00 N
ATOM 865 N ASN A 113 3.296 33.816 17.814 1.00 7.00 N
ATOM 866 CA ASN A 113 4.219 34.673 16.993 1.00 6.00 C
ATOM 867 C ASN A 113 3.494 34.739 15.413 1.00 6.00 C
ATOM 868 O ASN A 113 3.691 35.794 14.908 1.00 8.00 O
ATOM 869 CB ASN A 113 5.537 34.014 17.056 1.00 6.00 C
ATOM 870 CG ASN A 113 6.262 34.409 18.445 1.00 6.00 C
ATOM 871 OD1 ASN A 113 5.867 35.266 18.951 1.00 7.00 O
ATOM 872 ND2 ASN A 113 7.053 33.421 18.761 1.00 7.00 N
ATOM 873 N ARG A 114 3.230 33.552 14.971 1.00 7.00 N
ATOM 874 CA ARG A 114 2.769 33.355 13.455 1.00 6.00 C
ATOM 875 C ARG A 114 1.252 33.157 13.139 1.00 6.00 C
ATOM 876 O ARG A 114 1.055 33.289 12.128 1.00 8.00 O
ATOM 877 CB ARG A 114 3.560 32.102 12.823 1.00 6.00 C
ATOM 878 CG ARG A 114 4.746 31.970 13.455 1.00 6.00 C
ATOM 879 CD ARG A 114 5.735 31.179 12.634 1.00 6.00 C
ATOM 880 NE ARG A 114 5.801 31.509 11.181 1.00 7.00 N
ATOM 881 CZ ARG A 114 6.460 30.652 10.549 1.00 6.00 C
ATOM 882 NH1 ARG A 114 7.251 29.663 11.244 1.00 7.00 N
ATOM 883 NH2 ARG A 114 6.064 30.982 9.286 1.00 7.00 N
ATOM 884 N CYS A 115 0.330 33.091 14.150 1.00 7.00 N
ATOM 885 CA CYS A 115 -1.121 32.564 13.771 1.00 6.00 C
ATOM 886 C CYS A 115 -1.978 33.552 14.529 1.00 6.00 C
ATOM 887 O CYS A 115 -2.769 34.080 14.213 1.00 8.00 O
ATOM 888 CB CYS A 115 -1.648 31.443 14.213 1.00 6.00 C
ATOM 889 SG CYS A 115 -0.857 29.663 13.897 1.00 16.00 S
ATOM 890 N LYS A 116 -1.648 34.080 15.792 1.00 7.00 N
ATOM 891 CA LYS A 116 -2.373 34.937 16.677 1.00 6.00 C
ATOM 892 C LYS A 116 -2.637 36.387 16.045 1.00 6.00 C
ATOM 893 O LYS A 116 -1.912 36.980 16.045 1.00 8.00 O
ATOM 894 CB LYS A 116 -1.846 35.266 18.193 1.00 6.00 C
ATOM 895 CG LYS A 116 -2.439 35.925 19.077 1.00 6.00 C
ATOM 896 CD LYS A 116 -2.175 35.662 20.277 1.00 6.00 C
ATOM 897 CE LYS A 116 -2.307 36.716 21.288 1.00 6.00 C
ATOM 898 NZ LYS A 116 -1.846 36.585 22.615 1.00 7.00 N
ATOM 899 N GLY A 117 -3.757 36.585 15.792 1.00 7.00 N
ATOM 900 CA GLY A 117 -4.153 37.639 15.224 1.00 6.00 C
ATOM 901 C GLY A 117 -4.153 37.639 13.645 1.00 6.00 C
ATOM 902 O GLY A 117 -4.087 38.892 13.266 1.00 8.00 O
ATOM 903 N THR A 118 -4.087 36.651 12.823 1.00 7.00 N
ATOM 904 CA THR A 118 -4.087 36.519 11.370 1.00 6.00 C
ATOM 905 C THR A 118 -5.537 35.860 11.055 1.00 6.00 C
ATOM 906 O THR A 118 -6.130 35.464 11.876 1.00 8.00 O
ATOM 907 CB THR A 118 -2.900 35.596 10.928 1.00 6.00 C
ATOM 908 OG1 THR A 118 -2.966 34.278 11.244 1.00 8.00 O
ATOM 909 CG2 THR A 118 -1.582 36.123 11.749 1.00 6.00 C
ATOM 910 N ASP A 119 -5.933 35.596 9.854 1.00 7.00 N
ATOM 911 CA ASP A 119 -7.185 35.200 9.475 1.00 6.00 C
ATOM 912 C ASP A 119 -6.987 33.421 9.223 1.00 6.00 C
ATOM 913 O ASP A 119 -6.592 33.091 8.212 1.00 8.00 O
ATOM 914 CB ASP A 119 -7.910 35.596 8.212 1.00 6.00 C
ATOM 915 CG ASP A 119 -7.383 35.398 6.949 1.00 6.00 C
ATOM 916 OD1 ASP A 119 -8.042 34.937 6.506 1.00 8.00 O
ATOM 917 OD2 ASP A 119 -6.592 35.596 6.822 1.00 8.00 O
ATOM 918 N VAL A 120 -6.921 32.761 10.486 1.00 7.00 N
ATOM 919 CA VAL A 120 -6.592 31.311 10.676 1.00 6.00 C
ATOM 920 C VAL A 120 -7.778 30.784 9.854 1.00 6.00 C
ATOM 921 O VAL A 120 -7.383 29.663 9.475 1.00 8.00 O
ATOM 922 CB VAL A 120 -6.790 31.113 12.192 1.00 6.00 C
ATOM 923 CG1 VAL A 120 -5.537 31.970 12.887 1.00 6.00 C
ATOM 924 CG2 VAL A 120 -7.976 31.707 12.760 1.00 6.00 C
ATOM 925 N GLN A 121 -8.965 31.113 9.475 1.00 7.00 N
ATOM 926 CA GLN A 121 -9.954 30.520 8.591 1.00 6.00 C
ATOM 927 C GLN A 121 -9.558 29.993 7.075 1.00 6.00 C
ATOM 928 O GLN A 121 -9.888 29.202 6.949 1.00 8.00 O
ATOM 929 CB GLN A 121 -11.074 31.443 8.402 1.00 6.00 C
ATOM 930 CG GLN A 121 -11.536 32.036 9.475 1.00 6.00 C
ATOM 931 CD GLN A 121 -12.650 33.097 9.556 1.00 6.00 C
ATOM 932 OE1 GLN A 121 -13.394 33.336 10.568 1.00 7.00 O
ATOM 933 NE2 GLN A 121 -12.737 33.728 8.462 1.00 7.00 N
ATOM 934 N ALA A 122 -8.438 30.718 6.696 1.00 7.00 N
ATOM 935 CA ALA A 122 -7.844 30.652 5.306 1.00 6.00 C
ATOM 936 C ALA A 122 -6.987 29.136 5.243 1.00 6.00 C
ATOM 937 O ALA A 122 -6.921 28.674 4.548 1.00 8.00 O
ATOM 938 CB ALA A 122 -6.724 31.509 4.864 1.00 6.00 C
ATOM 939 N TRP A 123 -6.856 28.740 6.506 1.00 7.00 N
ATOM 940 CA TRP A 123 -6.262 27.290 6.759 1.00 6.00 C
ATOM 941 C TRP A 123 -7.053 26.499 6.317 1.00 6.00 C
ATOM 942 O TRP A 123 -6.724 25.049 5.938 1.00 8.00 O
ATOM 943 CB TRP A 123 -5.405 27.158 8.149 1.00 6.00 C
ATOM 944 CG TRP A 123 -4.153 28.279 8.149 1.00 6.00 C
ATOM 945 CD1 TRP A 123 -3.823 29.334 8.591 1.00 6.00 C
ATOM 946 CD2 TRP A 123 -3.230 27.752 7.391 1.00 6.00 C
ATOM 947 NE1 TRP A 123 -2.703 29.597 8.212 1.00 7.00 N
ATOM 948 CE2 TRP A 123 -2.307 28.740 7.517 1.00 6.00 C
ATOM 949 CE3 TRP A 123 -2.900 26.697 6.633 1.00 6.00 C
ATOM 950 CZ2 TRP A 123 -1.055 28.609 6.885 1.00 6.00 C
ATOM 951 CZ3 TRP A 123 -1.648 26.565 6.064 1.00 6.00 C
ATOM 952 CH2 TRP A 123 -0.857 27.422 6.127 1.00 6.00 C
ATOM 953 N ILE A 124 -8.569 26.433 6.696 1.00 7.00 N
ATOM 954 CA ILE A 124 -9.756 25.576 6.570 1.00 6.00 C
ATOM 955 C ILE A 124 -10.415 25.906 5.369 1.00 6.00 C
ATOM 956 O ILE A 124 -11.470 25.181 5.054 1.00 8.00 O
ATOM 957 CB ILE A 124 -10.415 25.379 7.833 1.00 6.00 C
ATOM 958 CG1 ILE A 124 -11.206 26.697 8.212 1.00 6.00 C
ATOM 959 CG2 ILE A 124 -9.888 24.522 8.844 1.00 6.00 C
ATOM 960 CD1 ILE A 124 -11.865 26.367 9.286 1.00 6.00 C
ATOM 961 N ARG A 125 -10.283 26.829 4.611 1.00 7.00 N
ATOM 962 CA ARG A 125 -10.877 27.026 3.411 1.00 6.00 C
ATOM 963 C ARG A 125 -10.679 25.972 2.337 1.00 6.00 C
ATOM 964 O ARG A 125 -9.888 25.708 2.085 1.00 8.00 O
ATOM 965 CB ARG A 125 -10.481 28.477 2.779 1.00 6.00 C
ATOM 966 CG ARG A 125 -10.439 29.656 3.950 1.00 6.00 C
ATOM 967 CD ARG A 125 -9.397 30.695 3.583 1.00 6.00 C
ATOM 968 NE ARG A 125 -9.394 31.806 4.549 1.00 7.00 N
ATOM 969 CZ ARG A 125 -8.365 32.672 4.678 1.00 6.00 C
ATOM 970 NH1 ARG A 125 -7.208 32.468 4.033 1.00 7.00 N
ATOM 971 NH2 ARG A 125 -8.518 33.735 5.448 1.00 7.00 N
ATOM 972 N GLY A 126 -11.668 25.510 1.832 1.00 7.00 N
ATOM 973 CA GLY A 126 -11.602 24.588 0.695 1.00 6.00 C
ATOM 974 C GLY A 126 -11.931 23.137 1.327 1.00 6.00 C
ATOM 975 O GLY A 126 -12.195 22.478 0.821 1.00 8.00 O
ATOM 976 N CYS A 127 -11.865 23.137 2.716 1.00 7.00 N
ATOM 977 CA CYS A 127 -12.327 21.951 3.411 1.00 6.00 C
ATOM 978 C CYS A 127 -13.645 21.423 3.601 1.00 6.00 C
ATOM 979 O CYS A 127 -14.568 22.280 3.727 1.00 8.00 O
ATOM 980 CB CYS A 127 -11.404 21.687 4.738 1.00 6.00 C
ATOM 981 SG CYS A 127 -9.558 22.083 4.675 1.00 16.00 S
ATOM 982 N ARG A 128 -13.975 20.435 3.348 1.00 7.00 N
ATOM 983 CA ARG A 128 -15.359 19.710 3.601 1.00 6.00 C
ATOM 984 C ARG A 128 -15.425 19.512 5.054 1.00 6.00 C
ATOM 985 O ARG A 128 -14.634 18.589 5.306 1.00 8.00 O
ATOM 986 CB ARG A 128 -15.623 18.853 2.653 1.00 6.00 C
ATOM 987 CG ARG A 128 -15.233 18.979 1.071 1.00 6.00 C
ATOM 988 CD ARG A 128 -14.831 17.707 0.350 1.00 6.00 C
ATOM 989 NE ARG A 128 -14.532 17.973 -1.066 1.00 7.00 N
ATOM 990 CZ ARG A 128 -13.825 17.126 -1.846 1.00 6.00 C
ATOM 991 NH1 ARG A 128 -13.214 16.054 -1.321 1.00 7.00 N
ATOM 992 NH2 ARG A 128 -13.750 17.364 -3.143 1.00 7.00 N
ATOM 993 N LEU A 129 -15.952 20.105 5.812 1.00 7.00 N
ATOM 994 CA LEU A 129 -15.952 19.907 7.264 1.00 6.00 C
ATOM 995 C LEU A 129 -17.402 19.907 7.707 1.00 6.00 C
ATOM 996 O LEU A 129 -18.062 19.973 7.138 1.00 8.00 O
ATOM 997 CB LEU A 129 -15.227 21.226 7.959 1.00 6.00 C
ATOM 998 CG LEU A 129 -13.909 21.423 7.391 1.00 6.00 C
ATOM 999 CD1 LEU A 129 -13.052 22.412 7.833 1.00 6.00 C
ATOM 1000 CD2 LEU A 129 -12.854 19.973 7.833 1.00 6.00 C
ATOM 1001 OXT LEU A 129 -17.864 19.907 8.844 1.00 8.00 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 624 0 0 4 5 0 0 6 1102 1 8 10
END
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elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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