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PDBsum entry 1cac

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Lyase (carbon-oxygen) PDB id
1cac
Jmol
Contents
Protein chain
256 a.a.
Metals
_ZN
HEADER    LYASE  (CARBON-OXYGEN)                  22-MAY-76   1CAC
OBSLTE     15-JAN-90 1CAC      1CA2
TITLE     CRYSTAL STRUCTURE OF HUMAN ERYTHROCYTE CARBONIC ANHYDRASE C,
TITLE    2 $VI.THE THREE-DIMENSIONAL STRUCTURE AT HIGH RESOLUTION IN
TITLE    3 RELATION TO OTHER MAMMALIAN CARBONIC ANHYDRASES
COMPND    MOL_ID: 1;
COMPND   2 MOLECULE:;
COMPND   3 CHAIN: NULL;
COMPND   4 ENGINEERED: YES
SOURCE    MOL_ID: 1
KEYWDS    LYASE (CARBON-OXYGEN)
EXPDTA    X-RAY DIFFRACTION
AUTHOR    K.K.KANNAN,I.VAARA,A.LILJAS,P.BERGSTEN,K.FRIDBORG,
AUTHOR   2 B.STRANDBERG,S.LOVGREN,M.PETEF,A.BORELL,H.CID-DRESDNER
REVDAT  17   15-JAN-90 1CAC    3       OBSLTE
REVDAT  16   22-OCT-84 1CAC    1       SEQRES
REVDAT  15   31-MAY-84 1CAC    1       REMARK
REVDAT  14   27-JAN-84 1CAC    1       REMARK
REVDAT  13   30-SEP-83 1CAC    1       REVDAT
REVDAT  12   13-JUN-83 1CAC    1       REMARK
REVDAT  11   01-MAR-82 1CAC    1       REMARK
REVDAT  10   14-SEP-81 1CAC    1       REMARK
REVDAT   9   20-APR-81 1CAC    1       SHEET  TURN
REVDAT   8   31-DEC-80 1CAC    1       REMARK
REVDAT   7   07-APR-80 1CAC    3       SCALE
REVDAT   6   05-FEB-79 1CAC    1       AUTHOR
REVDAT   5   13-OCT-78 1CAC    1
REVDAT   4   01-NOV-77 1CAC    1       COMPND SOURCE AUTHOR REMARK
REVDAT   4 2                   1       HET
REVDAT   3   23-AUG-77 1CAC    3       ATOM
REVDAT   2   28-MAR-77 1CAC    1       REMARK
REVDAT   1   09-JUN-76 1CAC    0
JRNL        AUTH   K.K.KANNAN,A.LILJAS,I.WAARA,P.-C.BERGSTEN,
JRNL        AUTH 2 S.LOVGREN,B.STRANDBERG,U.BENGTSSON,U.CARLBOM,
JRNL        AUTH 3 K.FRIDBORG,L.JARUP,M.PETEF
JRNL        TITL   CRYSTAL STRUCTURE OF HUMAN ERYTHROCYTE CARBONIC
JRNL        TITL 2 ANHYDRASE C, VI.THE THREE-DIMENSIONAL STRUCTURE AT
JRNL        TITL 3 HIGH RESOLUTION IN RELATION TO OTHER MAMMALIAN
JRNL        TITL 4 CARBONIC ANHYDRASES
JRNL        REF    COLD SPRING HARBOR SYMP.      V.  36   221 1972
JRNL        REF  2 QUANT.BIOL.
JRNL        REFN   ASTM CSHSAZ  US ISSN 0091-7451
REMARK   1
REMARK   1 REFERENCE 1
REMARK   1  AUTH   A.LILJAS,K.K.KANNAN,P.-C.BERGSTEN,I.WAARA,
REMARK   1  AUTH 2 K.FRIDBORG,B.STRANDBERG,U.CARLBOM,L.JARUP,
REMARK   1  AUTH 3 S.LOVGREN,M.PETEF
REMARK   1  TITL   CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE C
REMARK   1  REF    NATURE NEW BIOL.              V. 235   131 1972
REMARK   1  REFN   ASTM NNBYA7  UK ISSN 0369-4887
REMARK   1 REFERENCE 2
REMARK   1  AUTH   B.NOTSTRAND,I.VAARA,K.K.KANNAN
REMARK   1  TITL   STRUCTURAL RELATIONSHIP OF HUMAN ERYTHROCYTE
REMARK   1  TITL 2 CARBONIC ANHYDRASE ISOZYMES B AND C
REMARK   1  EDIT   C.L.MARKERT
REMARK   1  REF    ISOZYMES-MOLECULAR STRUCTURE  V.   1   575 1975
REMARK   1  PUBL   ACADEMIC PRESS,NEW YORK
REMARK   1  REFN                   ISBN 0-12-472701-8
REMARK   1 REFERENCE 3
REMARK   1  EDIT   R.J.FELDMANN
REMARK   1  REF    ATLAS OF MACROMOLECULAR                541 1976
REMARK   1  REF  2 STRUCTURE ON MICROFICHE
REMARK   1  PUBL   TRACOR JITCO INC.,ROCKVILLE,MD.
REMARK   1  REFN                   ISBN 0-917934-01-6
REMARK   1 REFERENCE 4
REMARK   1  EDIT   M.O.DAYHOFF
REMARK   1  REF    ATLAS OF PROTEIN SEQUENCE     V.   5   101 1976
REMARK   1  REF  2 AND STRUCTURE,SUPPLEMENT 2
REMARK   1  PUBL   NATIONAL BIOMEDICAL RESEARCH FOUNDATION, SILVER
REMARK   1  PUBL 2 SPRING,MD.
REMARK   1  REFN                   ISSN 0-912466-05-7
REMARK   2
REMARK   2 RESOLUTION. NULL 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) : NULL
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            : 2058
REMARK   3   NUCLEIC ACID ATOMS       : 0
REMARK   3   HETEROGEN ATOMS          : 1
REMARK   3   SOLVENT ATOMS            : 0
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: NULL
REMARK   4
REMARK   4 1CAC COMPLIES WITH FORMAT V. 2.3, 09-JULY-1998
REMARK   5
REMARK   5 1CAC A TOTAL OF FOUR RESIDUES WERE NOT FOUND IN THE
REMARK   5 ELECTRON 1CAC DENSITY MAP FOR THIS STRUCTURE THESE ARE THE
REMARK   5 ACE-SER-HIS 1CAC RESIDUES OF THE AMINO CHAIN TERMINUS AND
REMARK   5 THE LYS OF THE 1CAC CARBOXY END OF THE CHAIN. 1CAC
REMARK   6
REMARK   6 1CAC HELICES E1 AND E2 WERE ASSIGNED DEFAULT TYPE 1 (ALPHA)
REMARK   6 . 1CAC
REMARK   7
REMARK   7 1CAC THE ORTHOGONAL AXIAL SYSTEM DEFINED BY THE DEPOSITOR
REMARK   7 IS NOT 1CAC THE DEFAULT SYSTEM. FOR THIS STRUCTURE THE
REMARK   7 ORTHOGONAL 1CAC AXES ARE IN THE MONOCLINIC A*,B,C
REMARK   7 DIRECTIONS. THE SCALE 1CAC TRANSFORMATION GIVEN BELOW WILL
REMARK   7 TRANSFORM THE STORED COORDS 1CAC INTO CORRECT FRACTIONAL
REMARK   7 COORDINATES. 1CAC 1CAC
REMARK   8
REMARK   8 1CAC CORRECTION. FIX MASTER RECORD TO SHOW CORRECT NUMBER
REMARK   8 OF 1CAC FTNOTE RECORDS. 28-MAR-77. 1CAC
REMARK   9
REMARK   9 1CAC CORRECTION. CHANGE ATOM NAME CD TO CD1 FOR ALL ILE
REMARK   9 1CAC RESIDUES. CHANGE ATOM NAMES OG TO OG1 AND CG TO CG2
REMARK   9 AND 1CAC REVERSE THEIR ORDER FOR ALL THR RESIDUES.
REMARK   9 INTERLEAVE 1CAC THE ALTERNATE POSITION ATOMS IN RESIDUES
REMARK   9 88, 160. 1CAC 23-AUG-77. 1CAC
REMARK  10
REMARK  10 1CAC CORRECTION. REFORMAT HEADER INFORMATION TO MEET NEW
REMARK  10 1CAC SPECIFICATIONS. 1CAC ADD FORMUL RECORDS. 1CAC 01-NOV-
REMARK  10 77. 1CAC
REMARK  11
REMARK  11 1CAC CORRECTION. FIX CONECT RECORD. 13-OCT-78. 1CAC
REMARK  12
REMARK  12 1CAC CORRECTION. CORRECT SPELLING ON AUTHOR RECORD. 05-FEB-
REMARK  12 79. 1CAC
REMARK  13
REMARK  13 1CAC CORRECTION. CORRECT SCALE MATRIX. 07-APR-80. 1CAC
REMARK  14
REMARK  14 1CAC CORRECTION. STANDARDIZE FORMAT OF REMARKS 2 AND 3.
REMARK  14 1CAC 31-DEC-80. 1CAC
REMARK  15
REMARK  15 1CAC CORRECTION. CORRECT RESIDUE IDENTIFICATION ON STRANDS
REMARK  15 8 AND 1CAC 9 OF SHEET S10 RECORDS AND TURN 4 RECORD. 20-APR
REMARK  15 -81. 1CAC
REMARK  16
REMARK  16 1CAC CORRECTION. CORRECT JOURNAL NAME FOR REFERENCE 2. 1CAC
REMARK  16 14-SEP-81. 1CAC
REMARK  17
REMARK  17 1CAC CORRECTION. CHANGE CODEN FOR REFERENCE 3. 01-MAR-82.
REMARK  17 1CAC
REMARK  18
REMARK  18 1CAC CORRECTION. CORRECT TYPESETTING CODES ON REFERENCES 1
REMARK  18 AND 1CAC 2. 13-JUN-83. 1CAC
REMARK  19
REMARK  19 1CAC CORRECTION. INSERT REVDAT RECORDS. 30-SEP-83. 1CAC
REMARK  20
REMARK  20 1CAC CORRECTION. CORRECT ISSN FOR REFERENCE 2. 27-JAN-84.
REMARK  20 1CAC
REMARK  21
REMARK  21 1CAC CORRECTION. CORRECT ISSN FOR REFERENCE 1. 31-MAY-84.
REMARK  21 1CAC
REMARK  22
REMARK  22 1CAC CORRECTION. CORRECT SEQRES RECORDS. 22-OCT-84. 1CAC
REMARK  23
REMARK  23 1CAC CORRECTION. THIS ENTRY IS OBSOLETE. 17-OCT-89. 1CAC
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) : NULL
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: NULL
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   (%): 42.92
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.15
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: NULL
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1
REMARK 290
REMARK 290      SYMOP   SYMMETRY
REMARK 290     NNNMMM   OPERATOR
REMARK 290       1555   X,Y,Z
REMARK 290       2555   -X,1/2+Y,-Z
REMARK 290
REMARK 290     WHERE NNN -> OPERATOR NUMBER
REMARK 290           MMM -> TRANSLATION VECTOR
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
REMARK 290 RELATED MOLECULES.
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000
REMARK 290   SMTRY1   2 -0.995383  0.095676 -0.003674       -0.99934
REMARK 290   SMTRY2   2  0.096561  1.001030 -0.076831      -20.90067
REMARK 290   SMTRY3   2  0.007097  0.147077 -1.005647       -1.53622
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT
REMARK 300 WHICH CONSISTS OF 1 CHAIN(S). SEE REMARK 350 FOR
REMARK 300 INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S).
REMARK 350
REMARK 350 GENERATING THE BIOMOLECULE
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 465
REMARK 465 MISSING RESIDUES
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465
REMARK 465   M RES C SSSEQI
REMARK 465     ACE       1
REMARK 465     SER       2
REMARK 465     HIS       3
REMARK 465     LYS     261
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
REMARK 500   NZ   LYS     154     O    SER     217              1.30
REMARK 500   O    ILE      33     OD2  ASP     110              1.37
REMARK 500   O    SER     219     N    GLU     221              1.51
REMARK 500   O    PRO     237     OE2  GLU     239              1.51
REMARK 500   O    ARG      89     N    TRP     123              1.62
REMARK 500   O    GLU     236     OE1  GLU     239              1.64
REMARK 500   N    GLY     151     O    VAL     218              1.65
REMARK 500   N    LEU      57     O    GLU      69              1.67
REMARK 500   O    LYS      45     N    GLY      82              1.72
REMARK 500   ND2  ASN      61     O    THR     169              1.85
REMARK 500   O    ASP     180     N    ARG     182              1.88
REMARK 500   CD1  ILE      59     O    ASN      67              1.89
REMARK 500   O    GLN     137     CB   CYS     206              1.92
REMARK 500   OD1  ASP      41     CD2  LEU      44              1.94
REMARK 500   N    HIS     107     OE1  GLU     117              1.96
REMARK 500   O    LEU     100     NH2  ARG     227              1.97
REMARK 500   N    GLY       6     O    ASP      11              1.98
REMARK 500   O    LYS      45     CA   GLY      82              1.99
REMARK 500   CA   GLY       6     O    ASP      11              2.01
REMARK 500   CG   LYS      39     O    ILE     256              2.06
REMARK 500   OD1  ASP     130     N    LYS     133              2.06
REMARK 500   OE1  GLN     158     CG   GLN     222              2.06
REMARK 500   O    LYS     168     N    ASN     230              2.06
REMARK 500   O    PRO     237     N    GLU     239              2.08
REMARK 500   O    PRO     237     CD   GLU     239              2.08
REMARK 500   NE1  TRP       5     CG   PRO     201              2.09
REMARK 500   ND1  HIS      96     CD   GLN     106              2.09
REMARK 500   CB   LYS      39     O    ILE     256              2.10
REMARK 500   O    LYS     225     N    ARG     227              2.10
REMARK 500   O    PRO     138     C    CYS     206              2.11
REMARK 500   O    SER      56     O    PHE     176              2.13
REMARK 500   NE2  HIS      96     OE1  GLN     106              2.13
REMARK 500   N    ILE      59     O    ALA     174              2.14
REMARK 500   O    SER     219     CB   GLU     221              2.14
REMARK 500   O    HIS      94     N    HIS     119              2.15
REMARK 500   O    THR     200     O    PRO     202              2.16
REMARK 500   O    ARG      89     CA   HIS     122              2.18
REMARK 500   O    LYS     133     NE2  GLN     136              2.18
REMARK 500   O    PRO     138     O    CYS     206              2.19
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   CG   LYS     112     C    LYS     172     2346     0.23
REMARK 500   CG   LEU     203     CG   GLU     221     2356     0.33
REMARK 500   OG1  THR     200     OG   SER     220     2356     0.39
REMARK 500   CG   ARG      89     CG   PHE     231     2356     0.41
REMARK 500   N    ASN     124     N    ASN     230     2356     0.42
REMARK 500   CD2  LEU     203     CD   GLU     221     2356     0.42
REMARK 500   CB   GLN     136     C    VAL     163     2356     0.45
REMARK 500   CA   ILE      91     N    ASP     243     2356     0.46
REMARK 500   CA   LEU      57     CH2  TRP     245     2356     0.48
REMARK 500   CD1  TRP       5     O    GLY     151     2356     0.50
REMARK 500   CB   LYS       9     N    GLN      53     2346     0.50
REMARK 500   CB   THR     200     CB   SER     220     2356     0.51
REMARK 500   CB   PRO     201     CB   SER     219     2356     0.53
REMARK 500   O    GLN      92     CA   SER      99     2356     0.54
REMARK 500   N    TYR     128     O    THR     169     2356     0.54
REMARK 500   C    GLY       8     O    GLN      53     2346     0.56
REMARK 500   C    ASN      61     CA   GLY     129     2346     0.56
REMARK 500   CA   GLN     137     CB   ASP     165     2356     0.56
REMARK 500   OD2  ASP      75     OD2  ASP     232     2356     0.57
REMARK 500   CG2  VAL     207     NZ   LYS     228     2356     0.60
REMARK 500   N    TYR      88     CG   GLU     239     2356     0.61
REMARK 500   O    ASP     139     CG   LYS     168     2356     0.61
REMARK 500   CA   TYR      88     O    GLU     239     2356     0.63
REMARK 500   O    THR     125     CA   LYS     170     2356     0.63
REMARK 500   CG   LEU     141     N    LYS     228     2356     0.64
REMARK 500   CB   ASN      61     C    TYR     128     2346     0.66
REMARK 500   C    TYR      88     O    GLU     239     2356     0.66
REMARK 500   C    TYR      88     O    GLU     239     2356     0.67
REMARK 500   O    TYR      88     C    GLU     239     2356     0.68
REMARK 500   CA   THR      87     OE1  GLU     239     2356     0.69
REMARK 500   CD2  HIS     122     CD1  LEU     240     2356     0.69
REMARK 500   N    GLN     137     N    ASP     165     2356     0.70
REMARK 500   OE1  GLN     137     CB   SER     166     2356     0.70
REMARK 500   CA   GLN     136     N    LEU     164     2356     0.71
REMARK 500   C    THR      87     CG   GLU     239     2356     0.72
REMARK 500   CA   TYR      88     O    GLU     239     2356     0.73
REMARK 500   N    PRO     138     OD1  ASP     165     2356     0.73
REMARK 500   CA   PHE      66     CG   ASP     130     2346     0.75
REMARK 500   N    HIS      94     CG   LEU     100     2356     0.76
REMARK 500   CB   TYR     128     O    ILE     167     2356     0.76
REMARK 500   O    TYR      88     C    GLU     239     2356     0.78
REMARK 500   N    ILE      91     CA   VAL     242     2356     0.78
REMARK 500   CB   LEU      57     CZ3  TRP     245     2356     0.79
REMARK 500   CG2  THR     125     C    ASP     232     2356     0.79
REMARK 500   CA   GLN      92     N    SER      99     2356     0.80
REMARK 500   C    PRO     201     O    SER     219     2356     0.80
REMARK 500   CB   PRO     201     CA   SER     219     2356     0.80
REMARK 500   CD2  PHE      66     CA   GLY     132     2346     0.81
REMARK 500   CB   VAL     207     CE   LYS     228     2356     0.83
REMARK 500   CD1  LEU     198     CA   LEU     224     2356     0.84
REMARK 500   CG   PRO     202     CG   GLN     222     2356     0.84
REMARK 500   C    LYS     112     OG   SER     173     2346     0.86
REMARK 500   O    LYS      18     O    THR     177     1655     0.87
REMARK 500   CG   PRO     202     CB   GLN     222     2356     0.87
REMARK 500   N    ILE      91     C    VAL     242     2356     0.88
REMARK 500   CA   ASP      11     NZ   LYS      76     2346     0.89
REMARK 500   O    VAL      68     CD   GLU     103     2356     0.89
REMARK 500   CG   ASP      75     OD2  ASP     232     2356     0.89
REMARK 500   C    LEU      79     CB   GLU     238     2356     0.90
REMARK 500   CA   ASN      67     CA   GLY     102     2356     0.91
REMARK 500   O    GLY       8     O    GLN      53     2346     0.92
REMARK 500   CD   LYS       9     N    ASP      52     2346     0.92
REMARK 500   CD   LYS     112     O    LYS     172     2346     0.92
REMARK 500   O    VAL     121     CB   VAL     242     2356     0.92
REMARK 500   CE1  TYR     128     CA   LYS     168     2356     0.92
REMARK 500   CB   LYS       9     CA   GLN      53     2346     0.93
REMARK 500   CD   ARG      89     CD2  PHE     231     2356     0.93
REMARK 500   O    LYS     111     C    SER     173     2346     0.93
REMARK 500   CE   LYS     112     CD1  ILE     167     2346     0.93
REMARK 500   CH2  TRP     123     SD   MET     241     2356     0.93
REMARK 500   CB   VAL     207     CD   LYS     228     2356     0.93
REMARK 500   O    PRO     202     CA   GLU     221     2356     0.94
REMARK 500   N    LYS      80     CB   GLU     238     2356     0.95
REMARK 500   CB   LEU     141     CB   LYS     228     2356     0.95
REMARK 500   N    LEU      90     O    LEU     240     2356     0.96
REMARK 500   C    GLN      92     CA   SER      99     2356     0.96
REMARK 500   C    LEU      79     CA   GLU     238     2356     0.97
REMARK 500   CB   PHE      93     OG   SER      99     2356     0.97
REMARK 500   C    VAL     121     CG1  VAL     242     2356     0.97
REMARK 500   CA   ASP      19     OD1  ASN     178     1655     0.99
REMARK 500   N    GLY     140     CE   LYS     168     2356     0.99
REMARK 500   C    ASP     139     CD   LYS     168     2356     1.00
REMARK 500   N    PHE      66     CB   ASP     130     2346     1.01
REMARK 500   CA   PHE      66     OD1  ASP     130     2346     1.01
REMARK 500   CB   ASN      67     CA   GLY     102     2356     1.01
REMARK 500   N    GLU      69     OE2  GLU     103     2356     1.01
REMARK 500   C    LYS      80     OE2  GLU     238     2356     1.01
REMARK 500   N    TYR      88     CA   GLU     239     2356     1.01
REMARK 500   N    LYS     127     N    LYS     170     2356     1.01
REMARK 500   CA   LEU     141     CA   LYS     228     2356     1.01
REMARK 500   O    LEU      79     CA   GLU     238     2356     1.02
REMARK 500   CG   TYR      88     ND2  ASN     230     2356     1.02
REMARK 500   O    VAL     121     CG1  VAL     242     2356     1.02
REMARK 500   CB   PRO     202     CG   GLN     222     2356     1.02
REMARK 500   O    LEU      79     C    GLU     238     2356     1.03
REMARK 500   C    TYR      88     C    GLU     239     2356     1.04
REMARK 500   O    ALA     134     O    LEU     164     2356     1.04
REMARK 500   N    VAL     135     CB   LEU     164     2356     1.04
REMARK 500   CG   LYS       9     N    GLN      53     2346     1.05
REMARK 500   OD1  ASP      72     CB   ASN     244     2356     1.05
REMARK 500   C    TRP     123     C    LEU     229     2356     1.05
REMARK 500   CZ2  TRP     123     SD   MET     241     2356     1.05
REMARK 500   CB   VAL     135     CD1  LEU     164     2356     1.05
REMARK 500   N    GLN     136     N    LEU     164     2356     1.05
REMARK 500   O    HIS      17     O    ASN     178     1655     1.06
REMARK 500   C    ALA      65     CB   ASP     130     2346     1.06
REMARK 500   CG   LYS     112     O    LYS     172     2346     1.06
REMARK 500   CD1  TYR     128     N    LYS     168     2356     1.06
REMARK 500   CZ   PHE      20     CA   ALA     153     2356     1.07
REMARK 500   CA   GLN     136     C    VAL     163     2356     1.07
REMARK 500   CD   GLN     137     CA   SER     166     2356     1.07
REMARK 500   N    ASP      11     NZ   LYS      76     2346     1.08
REMARK 500   CB   ASN      67     C    GLY     102     2356     1.08
REMARK 500   CB   LYS     111     O    SER     173     2346     1.08
REMARK 500   CA   PRO     201     O    SER     219     2356     1.08
REMARK 500   CG   LEU      57     CE3  TRP     245     2356     1.09
REMARK 500   C    TYR      88     C    GLU     239     2356     1.09
REMARK 500   O    GLY      63     NH1  ARG      89     2346     1.10
REMARK 500   CB   PHE      66     OD1  ASP     130     2346     1.10
REMARK 500   CG   TYR      88     ND2  ASN     230     2356     1.10
REMARK 500   CG   GLN     137     N    SER     166     2356     1.10
REMARK 500   CA   LEU     141     C    LYS     228     2356     1.10
REMARK 500   CB   LEU     141     N    LYS     228     2356     1.10
REMARK 500   ND1  HIS      94     CA   LEU     100     2356     1.11
REMARK 500   CA   GLN     137     CA   ASP     165     2356     1.11
REMARK 500   CA   TRP     123     C    LEU     229     2356     1.12
REMARK 500   CE2  PHE     131     C    PHE     226     2356     1.12
REMARK 500   C    GLN     137     CG   ASP     165     2356     1.12
REMARK 500   C    ASP     139     CE   LYS     168     2356     1.12
REMARK 500   CA   PRO     201     C    SER     219     2356     1.12
REMARK 500   O    PRO     202     CB   GLU     221     2356     1.12
REMARK 500   CG1  VAL     121     CB   ARG     227     2356     1.13
REMARK 500   CA   VAL     135     CD1  LEU     164     2356     1.13
REMARK 500   N    LYS       9     C    GLN      53     2346     1.14
REMARK 500   CA   LYS      80     OE2  GLU     238     2356     1.14
REMARK 500   N    THR      87     OE1  GLU     239     2356     1.14
REMARK 500   O    LEU      90     O    VAL     242     2356     1.14
REMARK 500   CZ3  TRP     123     SD   MET     241     2356     1.14
REMARK 500   N    GLN     136     CA   LEU     164     2356     1.14
REMARK 500   CG   PRO     201     CA   SER     219     2356     1.14
REMARK 500   O    THR     200     C    SER     220     2356     1.15
REMARK 500   CH2  TRP       5     OG   SER      73     2346     1.17
REMARK 500   CG   TYR       7     N    ASP      72     2346     1.17
REMARK 500   NE2  GLN      92     NH2  ARG     227     2356     1.17
REMARK 500   CZ2  TRP      97     CB   PHE     131     2346     1.17
REMARK 500   CA   VAL     135     CB   LEU     164     2356     1.17
REMARK 500   C    GLN     137     OD1  ASP     165     2356     1.17
REMARK 500   CD1  LEU     198     C    LEU     224     2356     1.17
REMARK 500   N    ASP      62     CA   GLY     129     2346     1.18
REMARK 500   N    HIS      94     CB   LEU     100     2356     1.18
REMARK 500   O    THR     125     N    LYS     170     2356     1.18
REMARK 500   CG   TYR     128     O    ILE     167     2356     1.18
REMARK 500   CA   THR     200     CB   SER     220     2356     1.18
REMARK 500   N    TRP       5     OG   SER     152     2356     1.19
REMARK 500   C    VAL      68     CG   GLU     103     2356     1.19
REMARK 500   O    LYS     112     OG   SER     173     2346     1.19
REMARK 500   CB   GLN     137     C    ASP     165     2356     1.19
REMARK 500   OE1  GLN     137     CA   SER     166     2356     1.19
REMARK 500   CD2  LEU     203     OE2  GLU     221     2356     1.19
REMARK 500   CD2  PHE      66     C    GLY     132     2346     1.20
REMARK 500   CB   LYS      80     CD   GLU     238     2356     1.20
REMARK 500   O    THR     200     N    GLU     221     2356     1.20
REMARK 500   OD1  ASN      67     N    GLY     102     2356     1.22
REMARK 500   CA   GLU      69     OE2  GLU     103     2356     1.22
REMARK 500   O    ARG      89     CA   MET     241     2356     1.22
REMARK 500   O    ILE      91     CA   ASP     243     2356     1.22
REMARK 500   CA   LYS     112     OG   SER     173     2346     1.22
REMARK 500   C    VAL      68     CD   GLU     103     2356     1.23
REMARK 500   CE2  TRP     123     CG   MET     241     2356     1.23
REMARK 500   CB   LEU      57     CH2  TRP     245     2356     1.24
REMARK 500   CB   ASN     124     O    LYS     168     2356     1.24
REMARK 500   N    GLY     140     CD   LYS     168     2356     1.24
REMARK 500   CB   LEU     141     CA   LYS     228     2356     1.24
REMARK 500   CB   HIS      10     NE2  GLN      53     2346     1.25
REMARK 500   O    TYR      88     N    LEU     240     2356     1.25
REMARK 500   O    HIS      94     CD2  LEU     100     2356     1.25
REMARK 500   CD2  LEU     141     O    LYS     225     2356     1.25
REMARK 500   O    PRO     201     O    SER     219     2356     1.25
REMARK 500   CA   LYS       9     CA   GLN      53     2346     1.26
REMARK 500   CG2  THR     125     O    ASP     232     2356     1.26
REMARK 500   CE1  PHE     131     CB   PHE     226     2356     1.26
REMARK 500   CB   GLN     137     CA   ASP     165     2356     1.26
REMARK 500   CZ3  TRP       5     OG   SER      73     2346     1.28
REMARK 500   CA   ASN      61     CA   GLY     129     2346     1.28
REMARK 500   O    VAL      68     CG   GLU     103     2356     1.28
REMARK 500   CG   TRP       5     O    GLY     151     2356     1.29
REMARK 500   O    ALA      65     O    GLY     129     2346     1.29
REMARK 500   O    GLU      69     CZ2  TRP     245     2356     1.29
REMARK 500   CE3  TRP     123     SD   MET     241     2356     1.29
REMARK 500   O    THR     125     CB   LYS     170     2356     1.29
REMARK 500   O    THR     200     CA   GLU     221     2356     1.29
REMARK 500   CG   HIS      10     NE2  GLN      53     2346     1.30
REMARK 500   C    ASN      67     O    GLY     102     2356     1.30
REMARK 500   CD1  TYR     128     CA   LYS     168     2356     1.30
REMARK 500   O    PRO     202     C    GLU     221     2356     1.31
REMARK 500   CE   LYS       9     CA   TYR      51     2346     1.32
REMARK 500   CG   LEU      57     CZ3  TRP     245     2356     1.32
REMARK 500   CA   GLY      63     NH1  ARG      89     2346     1.32
REMARK 500   O    PHE      70     O    ASP     243     2356     1.32
REMARK 500   OE1  GLN      92     N    LEU     100     2356     1.32
REMARK 500   O    TRP     123     CA   ASN     230     2356     1.32
REMARK 500   C    ILE      59     NZ   LYS     133     2346     1.33
REMARK 500   CD1  PHE      93     CD1  LEU     100     2356     1.33
REMARK 500   CE   LYS       9     C    TYR      51     2346     1.34
REMARK 500   N    LEU      60     CD   LYS     133     2346     1.34
REMARK 500   CA   TYR      88     C    GLU     239     2356     1.34
REMARK 500   CA   ILE      91     C    VAL     242     2356     1.35
REMARK 500   N    TRP     123     O    LEU     229     2356     1.35
REMARK 500   CB   THR     125     O    ASP     232     2356     1.35
REMARK 500   CA   ASP     139     CE   LYS     168     2356     1.35
REMARK 500   O    LEU      60     CB   LYS     133     2346     1.36
REMARK 500   CG   LEU     198     CA   LEU     224     2356     1.36
REMARK 500   N    PRO     201     C    SER     219     2356     1.36
REMARK 500   OD1  ASP      11     CE   LYS      76     2346     1.37
REMARK 500   CD1  LEU      60     N    LYS     113     2356     1.37
REMARK 500   O    ASN      67     O    GLY     102     2356     1.37
REMARK 500   CA   THR      87     CD   GLU     239     2356     1.37
REMARK 500   N    TYR      88     CB   GLU     239     2356     1.37
REMARK 500   CA   TRP     123     O    LEU     229     2356     1.37
REMARK 500   CA   PRO     138     OD1  ASP     165     2356     1.37
REMARK 500   CA   VAL     207     CD   LYS     228     2356     1.37
REMARK 500   CA   LEU      57     CZ2  TRP     245     2356     1.38
REMARK 500   CD1  LEU      60     CA   LYS     113     2356     1.38
REMARK 500   CD   GLU      69     N    GLY     104     2356     1.38
REMARK 500   CB   ASN     124     C    LYS     168     2356     1.38
REMARK 500   CG   ASN      67     N    GLU     103     2356     1.39
REMARK 500   CG   ARG      89     CD1  PHE     231     2356     1.39
REMARK 500   CA   GLN      92     C    GLY      98     2356     1.39
REMARK 500   N    LYS     112     OG   SER     173     2346     1.39
REMARK 500   CB   GLN     136     O    VAL     163     2356     1.39
REMARK 500   C    PRO     202     CB   GLU     221     2356     1.39
REMARK 500   N    LYS       9     O    GLN      53     2346     1.40
REMARK 500   CA   ILE      59     NZ   LYS     133     2346     1.40
REMARK 500   CG2  THR      87     OD1  ASP     232     2356     1.40
REMARK 500   N    TYR      88     C    GLU     239     2356     1.40
REMARK 500   N    TYR      88     CB   GLU     239     2356     1.40
REMARK 500   O    TYR      88     N    LEU     240     2356     1.40
REMARK 500   O    ARG      89     C    MET     241     2356     1.40
REMARK 500   C    ILE      91     CA   ASP     243     2356     1.40
REMARK 500   CB   GLN      92     CA   GLY      98     2356     1.40
REMARK 500   CA   LYS     112     CB   SER     173     2346     1.40
REMARK 500   N    PRO     138     CG   ASP     165     2356     1.40
REMARK 500   CB   LEU      57     CD2  TRP     245     2356     1.41
REMARK 500   CD1  ILE      59     CE   LYS     133     2346     1.41
REMARK 500   ND2  ASN      67     N    GLU     103     2356     1.41
REMARK 500   C    LYS     111     CB   SER     173     2346     1.41
REMARK 500   CA   VAL     135     CG   LEU     164     2356     1.41
REMARK 500   N    GLN     136     CB   LEU     164     2356     1.41
REMARK 500   CG   LEU     198     N    LEU     224     2356     1.41
REMARK 500   C    ARG      89     CA   MET     241     2356     1.42
REMARK 500   C    ASN     124     O    ASN     230     2356     1.42
REMARK 500   OG1  THR     125     O    PHE     231     2356     1.42
REMARK 500   CB   GLN     136     N    LEU     164     2356     1.42
REMARK 500   CG   LEU     141     C    ARG     227     2356     1.42
REMARK 500   CA   LEU     198     CB   LEU     224     2356     1.42
REMARK 500   CB   LEU     203     CG   GLU     221     2356     1.42
REMARK 500   CB   TYR       7     OD1  ASP      71     2346     1.43
REMARK 500   CB   LEU      57     CE3  TRP     245     2356     1.43
REMARK 500   C    GLY      63     NH1  ARG      89     2346     1.43
REMARK 500   OD2  ASP      75     CG   ASP     232     2356     1.43
REMARK 500   C    LEU      90     O    VAL     242     2356     1.43
REMARK 500   N    HIS     122     CG1  VAL     242     2356     1.43
REMARK 500   CA   GLY     140     CD   LYS     168     2356     1.43
REMARK 500   CG   ASP      11     CD   LYS      76     2346     1.44
REMARK 500   CB   ASN      61     O    TYR     128     2346     1.44
REMARK 500   CB   ASN      61     N    GLY     129     2346     1.44
REMARK 500   CZ2  TRP     123     CE   MET     241     2356     1.44
REMARK 500   N    VAL     135     CG   LEU     164     2356     1.44
REMARK 500   N    ASP     139     NZ   LYS     168     2356     1.44
REMARK 500   CG1  VAL     161     CD2  LEU     204     2346     1.44
REMARK 500   N    PRO     201     N    SER     220     2356     1.44
REMARK 500   CD   LYS       9     CA   ASP      52     2346     1.45
REMARK 500   CA   ASN      61     O    TYR     128     2346     1.45
REMARK 500   C    PHE      93     CB   LEU     100     2356     1.45
REMARK 500   CD1  TRP     123     O    MET     241     2356     1.45
REMARK 500   CG   TYR     128     C    ILE     167     2356     1.45
REMARK 500   CD1  LEU     198     CB   LEU     224     2356     1.45
REMARK 500   CB   ASP      11     NZ   LYS      76     2346     1.46
REMARK 500   CB   LEU      57     CE2  TRP     245     2356     1.46
REMARK 500   O    VAL      68     OE2  GLU     103     2356     1.46
REMARK 500   C    LYS     111     CA   SER     173     2346     1.46
REMARK 500   CA   LYS     112     CA   SER     173     2346     1.46
REMARK 500   CB   LYS     112     C    LYS     172     2346     1.46
REMARK 500   CA   ASN      67     C    GLY     102     2356     1.47
REMARK 500   N    ASN     124     C    LEU     229     2356     1.47
REMARK 500   CA   VAL      68     CG   GLU     103     2356     1.48
REMARK 500   N    THR      87     O    GLY     233     2356     1.48
REMARK 500   N    ILE      91     CB   VAL     242     2356     1.48
REMARK 500   CA   ILE      91     CA   ASP     243     2356     1.48
REMARK 500   O    PHE      93     CB   LEU     100     2356     1.48
REMARK 500   CA   VAL     207     CG   LYS     228     2356     1.48
REMARK 500   C    VAL      68     OE2  GLU     103     2356     1.49
REMARK 500   C    GLY      86     OE1  GLU     239     2356     1.49
REMARK 500   CA   TYR      88     C    GLU     239     2356     1.49
REMARK 500   N    LEU      90     C    LEU     240     2356     1.49
REMARK 500   O    GLN      92     N    SER      99     2356     1.49
REMARK 500   C    LYS     111     O    SER     173     2346     1.49
REMARK 500   N    LYS     112     CB   SER     173     2346     1.49
REMARK 500   CG   LYS     112     N    SER     173     2346     1.49
REMARK 500   CG2  VAL     121     CD   ARG     227     2356     1.49
REMARK 500   CA   LYS       9     C    GLN      53     2346     1.50
REMARK 500   ND1  HIS      10     NE2  GLN      53     2346     1.50
REMARK 500   C    PHE      93     CG   LEU     100     2356     1.50
REMARK 500   CD2  TRP     123     CG   MET     241     2356     1.50
REMARK 500   CD2  LEU     141     N    ARG     227     2356     1.50
REMARK 500   CD2  LEU     198     N    LYS     225     2356     1.50
REMARK 500   CD   PRO      13     OD2  ASP      71     2346     1.51
REMARK 500   O    LYS     111     N    ALA     174     2346     1.51
REMARK 500   CG   HIS     122     CD1  LEU     240     2356     1.51
REMARK 500   N    VAL     135     CD2  LEU     164     2356     1.51
REMARK 500   N    LYS       9     N    ALA      54     2346     1.52
REMARK 500   CA   ASN      61     C    GLY     129     2346     1.52
REMARK 500   C    ARG      89     C    LEU     240     2356     1.52
REMARK 500   CB   GLN      92     C    GLY      98     2356     1.52
REMARK 500   O    TRP     123     N    ASN     230     2356     1.52
REMARK 500   N    PHE      66     CG   ASP     130     2346     1.53
REMARK 500   CB   GLN     137     N    SER     166     2356     1.53
REMARK 500   CA   LEU     141     CB   LYS     228     2356     1.53
REMARK 500   CD2  LEU     203     CG   GLU     221     2356     1.53
REMARK 500   N    VAL     207     CD   LYS     228     2356     1.53
REMARK 500   OD2  ASP      11     CD   LYS      76     2346     1.54
REMARK 500   CA   LYS      80     N    GLU     238     2356     1.54
REMARK 500   CD2  TYR      88     ND2  ASN     230     2356     1.54
REMARK 500   CA   ARG      89     N    MET     241     2356     1.54
REMARK 500   C    LYS     112     CB   SER     173     2346     1.54
REMARK 500   CA   GLN     137     N    ASP     165     2356     1.54
REMARK 500   CD   GLN     137     N    SER     166     2356     1.54
REMARK 500   C    PRO     138     NZ   LYS     168     2356     1.54
REMARK 500   OD1  ASP     162     CD1  LEU     204     2346     1.54
REMARK 500   CG   ASN      61     N    GLY     129     2346     1.55
REMARK 500   O    GLY      63     CZ   ARG      89     2346     1.55
REMARK 500   N    GLY      81     OE2  GLU     238     2356     1.55
REMARK 500   C    LYS     127     O    THR     169     2356     1.55
REMARK 500   CE1  TYR     128     C    LYS     168     2356     1.55
REMARK 500   CD   PRO     202     N    GLN     222     2356     1.55
REMARK 500   CB   TYR       7     C    ASP      71     2346     1.56
REMARK 500   C    GLY       8     C    GLN      53     2346     1.56
REMARK 500   N    ASP      19     OD1  ASN     178     1655     1.56
REMARK 500   CG   ASP      75     CG   ASP     232     2356     1.56
REMARK 500   N    TYR      88     CG   GLU     239     2356     1.56
REMARK 500   N    GLY     140     NZ   LYS     168     2356     1.56
REMARK 500   CD1  LEU     141     O    PHE     226     2356     1.56
REMARK 500   CD1  TRP       5     C    GLY     151     2356     1.57
REMARK 500   CG   ASN      67     N    GLY     102     2356     1.57
REMARK 500   OG1  THR      87     CB   GLU     236     2356     1.57
REMARK 500   CD   ARG      89     CG   PHE     231     2356     1.57
REMARK 500   CB   TRP     123     CB   LEU     229     2356     1.57
REMARK 500   CA   ASN     124     O    LYS     168     2356     1.57
REMARK 500   CZ   PHE     131     CB   PHE     226     2356     1.57
REMARK 500   CG2  VAL     207     CE   LYS     228     2356     1.57
REMARK 500   CD   LYS       9     C    TYR      51     2346     1.58
REMARK 500   C    LEU      57     CH2  TRP     245     2356     1.58
REMARK 500   C    LYS     111     C    SER     173     2346     1.58
REMARK 500   C    TRP     123     O    LEU     229     2356     1.58
REMARK 500   CE2  TRP     123     SD   MET     241     2356     1.58
REMARK 500   O    ALA     134     C    LEU     164     2356     1.58
REMARK 500   C    LYS       9     CA   GLN      53     2346     1.59
REMARK 500   OD1  ASN      67     N    ASP     101     2356     1.59
REMARK 500   CG   LYS      80     CG   GLU     238     2356     1.59
REMARK 500   CA   LEU      90     CG2  VAL     242     2356     1.59
REMARK 500   CD   LYS     112     CG1  ILE     167     2346     1.59
REMARK 500   C    VAL     135     CB   LEU     164     2356     1.59
REMARK 500   CD2  HIS      10     CB   LYS      76     2346     1.60
REMARK 500   CE2  PHE      20     N    ALA     153     2356     1.60
REMARK 500   CB   LYS     112     N    SER     173     2346     1.60
REMARK 500   CD1  TYR     128     C    ILE     167     2356     1.60
REMARK 500   CG   LEU     198     CB   LEU     224     2356     1.60
REMARK 500   O    TYR      88     CA   GLU     239     2356     1.61
REMARK 500   CB   TYR      88     O    GLU     239     2356     1.61
REMARK 500   CA   ASN     124     CA   ASN     230     2356     1.61
REMARK 500   CG   ASP      11     NZ   LYS      76     2346     1.62
REMARK 500   NE2  GLN      92     CZ   ARG     227     2356     1.62
REMARK 500   CB   TYR     128     C    ILE     167     2356     1.62
REMARK 500   CE1  TYR     128     N    LYS     168     2356     1.62
REMARK 500   N    PRO     201     O    SER     219     2356     1.62
REMARK 500   CD   PRO     202     CB   GLN     222     2356     1.62
REMARK 500   CG   TYR       7     CA   ASP      72     2346     1.63
REMARK 500   OE2  GLU      69     N    GLY     104     2356     1.63
REMARK 500   CG   ARG      89     CB   PHE     231     2356     1.63
REMARK 500   CA   HIS      94     CB   LEU     100     2356     1.63
REMARK 500   CB   TRP     123     CA   LEU     229     2356     1.63
REMARK 500   CB   THR     125     C    PHE     231     2356     1.63
REMARK 500   CA   GLN     137     CG   ASP     165     2356     1.63
REMARK 500   CB   ASN      67     N    GLY     102     2356     1.64
REMARK 500   CG   ASN      67     C    GLY     102     2356     1.64
REMARK 500   CB   GLU      69     NE1  TRP     245     2356     1.64
REMARK 500   CB   LYS      80     OE2  GLU     238     2356     1.64
REMARK 500   CG2  THR      87     CG   ASP     232     2356     1.64
REMARK 500   CD2  TYR      88     ND2  ASN     230     2356     1.64
REMARK 500   O    ARG      89     N    MET     241     2356     1.64
REMARK 500   N    ILE      91     N    ASP     243     2356     1.64
REMARK 500   CD2  TRP     123     SD   MET     241     2356     1.64
REMARK 500   C    THR     125     CA   LYS     170     2356     1.64
REMARK 500   CE1  TYR     128     CB   LYS     168     2356     1.64
REMARK 500   CB   ALA     134     CD1  LEU     229     2356     1.64
REMARK 500   O    GLN     137     OD1  ASP     165     2356     1.64
REMARK 500   C    THR     200     C    SER     220     2356     1.64
REMARK 500   O    TRP       5     O    SER      73     2346     1.65
REMARK 500   O    GLY       8     C    GLN      53     2346     1.65
REMARK 500   CG   PHE      66     C    GLY     132     2346     1.65
REMARK 500   NE2  HIS     122     CD1  LEU     240     2356     1.65
REMARK 500   CB   ASN     124     N    THR     169     2356     1.65
REMARK 500   C    THR     200     CA   SER     220     2356     1.65
REMARK 500   CA   TYR       7     OD1  ASP      71     2346     1.66
REMARK 500   CG   PHE      66     N    LYS     133     2346     1.66
REMARK 500   CB   ASN      67     N    GLU     103     2356     1.66
REMARK 500   O    LEU      79     N    GLU     239     2356     1.66
REMARK 500   O    GLY      86     OE2  GLU     239     2356     1.66
REMARK 500   CG   GLN     136     C    VAL     163     2356     1.66
REMARK 500   CB   GLN     137     CB   ASP     165     2356     1.66
REMARK 500   CB   TYR       7     N    ASP      72     2346     1.67
REMARK 500   CD1  TYR     128     O    ILE     167     2356     1.67
REMARK 500   CG2  ILE      59     NZ   LYS     133     2346     1.68
REMARK 500   CA   LEU      60     NZ   LYS     112     2356     1.68
REMARK 500   CB   THR     125     N    ASP     232     2356     1.68
REMARK 500   CG2  THR     125     CA   ASP     232     2356     1.68
REMARK 500   N    LYS     127     OG1  THR     169     2356     1.68
REMARK 500   CG   PRO     201     CB   SER     219     2356     1.68
REMARK 500   CB   LEU     203     CB   GLU     221     2356     1.68
REMARK 500   CG   LEU     203     CB   GLU     221     2356     1.68
REMARK 500   C    LEU     204     CD   LYS     225     2356     1.68
REMARK 500   O    TYR      88     CA   GLU     239     2356     1.69
REMARK 500   CD   GLN      92     NH2  ARG     227     2356     1.69
REMARK 500   CH2  TRP     123     CE   MET     241     2356     1.69
REMARK 500   CG   GLN     136     CG1  VAL     163     2356     1.69
REMARK 500   CG   ARG      58     CE   LYS     113     2356     1.70
REMARK 500   N    ASN      67     CA   GLY     102     2356     1.70
REMARK 500   CD1  LEU     141     N    LYS     228     2356     1.70
REMARK 500   CG   ASP      11     CE   LYS      76     2346     1.71
REMARK 500   CG   LEU      57     CD2  TRP     245     2356     1.71
REMARK 500   N    GLU      69     CD   GLU     103     2356     1.71
REMARK 500   OD1  ASP      72     CA   ASN     244     2356     1.71
REMARK 500   CB   LYS      80     CG   PRO     237     2356     1.71
REMARK 500   CE2  TYR      88     ND2  ASN     230     2356     1.71
REMARK 500   N    ARG      89     O    GLU     239     2356     1.71
REMARK 500   N    LYS     112     CA   SER     173     2346     1.71
REMARK 500   CE2  PHE     131     N    ARG     227     2356     1.71
REMARK 500   O    GLN     136     O    ASP     162     2356     1.71
REMARK 500   N    GLN     137     C    LEU     164     2356     1.71
REMARK 500   C    GLN     137     CA   ASP     165     2356     1.71
REMARK 500   CD   GLN     137     CB   SER     166     2356     1.71
REMARK 500   CE2  TYR      88     ND2  ASN     230     2356     1.72
REMARK 500   O    LYS     111     O    SER     173     2346     1.72
REMARK 500   CB   LYS       9     C    ASP      52     2346     1.73
REMARK 500   C    ASN      67     C    GLY     102     2356     1.73
REMARK 500   C    THR      87     CB   GLU     239     2356     1.73
REMARK 500   CB   THR      87     CB   ASP     232     2356     1.73
REMARK 500   C    ARG      89     O    LEU     240     2356     1.73
REMARK 500   C    VAL     121     CB   VAL     242     2356     1.73
REMARK 500   CZ2  TRP     123     CG   MET     241     2356     1.73
REMARK 500   C    GLN     137     CB   ASP     165     2356     1.73
REMARK 500   CG   LYS       9     C    ASP      52     2346     1.74
REMARK 500   CA   PHE      66     CB   ASP     130     2346     1.74
REMARK 500   C    THR      87     CD   GLU     239     2356     1.74
REMARK 500   CG   ARG      89     CD2  PHE     231     2356     1.74
REMARK 500   CA   PHE      93     OG   SER      99     2356     1.74
REMARK 500   CG   LYS     111     O    SER     173     2346     1.74
REMARK 500   CD   LYS     112     C    LYS     172     2346     1.74
REMARK 500   NZ   LYS     127     CA   GLY     233     2356     1.74
REMARK 500   O    VAL     135     O    VAL     161     2356     1.74
REMARK 500   CA   TYR       7     CG   ASP      71     2346     1.75
REMARK 500   CB   HIS      10     CD   GLN      53     2346     1.75
REMARK 500   C    ILE      59     CE   LYS     133     2346     1.75
REMARK 500   O    ASN      61     CA   GLY     129     2346     1.75
REMARK 500   CA   ASN      67     N    GLY     102     2356     1.75
REMARK 500   CB   TYR      88     O    GLU     239     2356     1.75
REMARK 500   N    GLN      92     OD2  ASP     243     2356     1.75
REMARK 500   N    GLN      92     N    SER      99     2356     1.75
REMARK 500   N    PHE      93     CA   SER      99     2356     1.75
REMARK 500   CB   LYS     112     O    LYS     172     2346     1.75
REMARK 500   CZ   PHE     131     CA   PHE     226     2356     1.75
REMARK 500   CD1  TYR       7     CA   ASP      72     2346     1.76
REMARK 500   CA   PHE      66     OD2  ASP     130     2346     1.76
REMARK 500   N    LYS      80     CG   GLU     238     2356     1.76
REMARK 500   CA   LYS      80     CG   GLU     238     2356     1.76
REMARK 500   O    GLY      86     OE1  GLU     239     2356     1.76
REMARK 500   C    LEU      90     C    VAL     242     2356     1.76
REMARK 500   CA   LYS     112     N    SER     173     2346     1.76
REMARK 500   C    ASN     124     CA   THR     169     2356     1.76
REMARK 500   OG1  THR     200     CB   SER     220     2356     1.76
REMARK 500   CG2  THR      87     CB   ASP     232     2356     1.77
REMARK 500   C    HIS      94     CD2  LEU     100     2356     1.77
REMARK 500   N    ASN     124     O    LYS     168     2356     1.77
REMARK 500   NZ   LYS     127     N    GLY     233     2356     1.77
REMARK 500   CE2  TYR     128     CE   LYS     172     2356     1.77
REMARK 500   CD2  LEU     198     N    LEU     224     2356     1.77
REMARK 500   C    PRO     201     C    SER     219     2356     1.77
REMARK 500   CA   LEU     203     O    GLU     221     2356     1.77
REMARK 500   CB   VAL     207     CG   LYS     228     2356     1.77
REMARK 500   NE1  TRP       5     O    GLY     151     2356     1.78
REMARK 500   CD   LYS       9     C    ASP      52     2346     1.78
REMARK 500   CD1  LEU      60     CB   LYS     113     2356     1.78
REMARK 500   O    ASN      61     N    GLY     129     2346     1.78
REMARK 500   OD1  ASN      61     N    GLY     129     2346     1.78
REMARK 500   CB   PHE      66     N    LYS     133     2346     1.78
REMARK 500   C    LEU      90     CA   VAL     242     2356     1.78
REMARK 500   N    GLN      92     C    GLY      98     2356     1.78
REMARK 500   CG1  VAL     207     CE   LYS     228     2356     1.78
REMARK 500   CA   LEU      57     CZ3  TRP     245     2356     1.79
REMARK 500   CB   LEU      57     CZ2  TRP     245     2356     1.79
REMARK 500   CA   ASN      67     O    GLY     102     2356     1.79
REMARK 500   CG   ASP      72     CB   ASN     244     2356     1.79
REMARK 500   CG   LYS      80     CD   GLU     238     2356     1.79
REMARK 500   O    LEU      90     N    VAL     242     2356     1.79
REMARK 500   NE2  GLN     137     CA   SER     166     2356     1.79
REMARK 500   O    PRO     201     N    GLU     221     2356     1.79
REMARK 500   CB   TYR       7     CG   ASP      71     2346     1.80
REMARK 500   CG   TYR       7     OD1  ASP      71     2346     1.80
REMARK 500   OG   SER      48     OE1  GLU     238     2356     1.80
REMARK 500   N    LEU      57     CZ2  TRP     245     2356     1.80
REMARK 500   N    PHE      93     C    SER      99     2356     1.80
REMARK 500   CE2  TRP      97     CG   PHE     131     2346     1.80
REMARK 500   CA   TRP     123     CA   LEU     229     2356     1.80
REMARK 500   C    ALA     134     C    LEU     164     2356     1.80
REMARK 500   CB   GLN     136     CA   VAL     163     2356     1.80
REMARK 500   O    LYS      18     C    THR     177     1655     1.81
REMARK 500   CE2  PHE      20     CA   ALA     153     2356     1.81
REMARK 500   N    ASP      62     C    GLY     129     2346     1.81
REMARK 500   C    GLU      69     CZ2  TRP     245     2356     1.81
REMARK 500   CG   GLU      69     N    GLY     104     2356     1.81
REMARK 500   CD1  TYR      88     ND2  ASN     230     2356     1.81
REMARK 500   O    GLN      92     CB   SER      99     2356     1.81
REMARK 500   N    LYS     112     N    SER     173     2346     1.81
REMARK 500   N    LEU     141     C    LYS     228     2356     1.81
REMARK 500   CB   ASP      75     OD2  ASP     232     2356     1.82
REMARK 500   O    GLY      86     CD   GLU     239     2356     1.82
REMARK 500   OD1  ASN     124     CG2  THR     169     2356     1.82
REMARK 500   N    VAL     135     CA   LEU     164     2356     1.82
REMARK 500   C    VAL     135     CG   LEU     164     2356     1.82
REMARK 500   N    GLN     137     CB   ASP     165     2356     1.82
REMARK 500   O    PRO     202     O    GLU     221     2356     1.82
REMARK 500   O    GLY       8     CG   LYS      76     2346     1.83
REMARK 500   NZ   LYS       9     O    SER      50     2346     1.83
REMARK 500   OD1  ASP      11     CD   LYS      76     2346     1.83
REMARK 500   N    PRO      13     OD2  ASP      71     2346     1.83
REMARK 500   CA   LYS      24     OD1  ASP     180     1655     1.83
REMARK 500   CG   ASN      61     C    TYR     128     2346     1.83
REMARK 500   O    ALA      65     CB   ASP     130     2346     1.83
REMARK 500   N    LYS      80     CA   GLU     238     2356     1.83
REMARK 500   CB   LYS      80     CG   GLU     238     2356     1.83
REMARK 500   O    TYR      88     O    GLU     239     2356     1.83
REMARK 500   CZ   TYR      88     ND2  ASN     230     2356     1.83
REMARK 500   O    HIS     122     O    ARG     227     2356     1.83
REMARK 500   C    ALA     134     O    LEU     164     2356     1.83
REMARK 500   C    GLN     136     C    VAL     163     2356     1.83
REMARK 500   CB   ASN      61     CA   GLY     129     2346     1.84
REMARK 500   NE2  HIS      64     CG1  VAL     150     2356     1.84
REMARK 500   CA   GLY      86     O    GLY     233     2356     1.84
REMARK 500   OE1  GLN      92     C    SER      99     2356     1.84
REMARK 500   CD1  TYR     128     C    LYS     168     2356     1.84
REMARK 500   CA   GLN     136     O    ASP     162     2356     1.84
REMARK 500   O    GLY     140     CA   LEU     229     2356     1.84
REMARK 500   CG   LEU     141     CA   ARG     227     2356     1.84
REMARK 500   CB   LEU     198     CB   LEU     224     2356     1.84
REMARK 500   CB   LYS      24     OD1  ASP     180     1655     1.85
REMARK 500   CB   SER      48     OE1  GLU     238     2356     1.85
REMARK 500   CB   ARG      58     CE   LYS     113     2356     1.85
REMARK 500   O    ARG      89     N    VAL     242     2356     1.85
REMARK 500   N    LEU      90     N    MET     241     2356     1.85
REMARK 500   O    LYS     111     CA   SER     173     2346     1.85
REMARK 500   CA   ASN     124     N    ASN     230     2356     1.85
REMARK 500   CB   THR     125     O    PHE     231     2356     1.85
REMARK 500   N    LYS     127     C    THR     169     2356     1.85
REMARK 500   CG   GLN     136     CA   VAL     163     2356     1.85
REMARK 500   C    ASP     139     CG   LYS     168     2356     1.85
REMARK 500   CB   PRO     201     OG   SER     219     2356     1.85
REMARK 500   CE   LYS       9     N    ASP      52     2346     1.86
REMARK 500   CA   ASP      19     CG   ASN     178     1655     1.86
REMARK 500   CZ   PHE      20     CB   ALA     153     2356     1.86
REMARK 500   NH1  ARG      58     O    ARG     246     2356     1.86
REMARK 500   CD2  PHE      66     O    GLY     132     2346     1.86
REMARK 500   CG   ASN      67     CA   GLY     102     2356     1.86
REMARK 500   CG   ASN      67     C    ASP     101     2356     1.86
REMARK 500   CA   GLU      69     NE1  TRP     245     2356     1.86
REMARK 500   CZ   TYR      88     ND2  ASN     230     2356     1.86
REMARK 500   CB   ARG      89     CG   PHE     231     2356     1.86
REMARK 500   CB   LEU      90     CG2  VAL     242     2356     1.86
REMARK 500   CA   LYS     111     O    SER     173     2346     1.86
REMARK 500   CB   TYR     128     CG2  ILE     167     2356     1.86
REMARK 500   CB   ALA     142     CD2  LEU     240     2356     1.86
REMARK 500   CG   PRO     201     OG   SER     219     2356     1.86
REMARK 500   C    ALA      65     CA   ASP     130     2346     1.87
REMARK 500   N    VAL      68     CG   GLU     103     2356     1.87
REMARK 500   CB   THR      87     OE1  GLU     239     2356     1.87
REMARK 500   CD1  TYR      88     ND2  ASN     230     2356     1.87
REMARK 500   CA   ILE      91     CA   VAL     242     2356     1.87
REMARK 500   O    TRP     123     C    ASN     230     2356     1.87
REMARK 500   N    THR     199     CG   LEU     224     2356     1.87
REMARK 500   O    LEU      60     CG   LYS     133     2346     1.88
REMARK 500   N    ASN      61     O    TYR     128     2346     1.88
REMARK 500   ND2  ASN      61     O    ASN     124     2346     1.88
REMARK 500   OD1  ASN      67     C    ASP     101     2356     1.88
REMARK 500   O    THR      87     CG   GLU     239     2356     1.88
REMARK 500   O    TYR      88     O    GLU     239     2356     1.88
REMARK 500   O    ILE      91     N    ASP     243     2356     1.88
REMARK 500   N    PHE      93     N    LEU     100     2356     1.88
REMARK 500   CA   PHE      93     C    SER      99     2356     1.88
REMARK 500   N    HIS      94     CD2  LEU     100     2356     1.88
REMARK 500   CH2  TRP      97     CB   PHE     131     2346     1.88
REMARK 500   O    SER      99     CG2  VAL     121     2346     1.88
REMARK 500   CE   LYS     112     CG1  ILE     167     2346     1.88
REMARK 500   CG   ASN     124     CG2  THR     169     2356     1.88
REMARK 500   CG2  THR     125     N    GLY     233     2356     1.88
REMARK 500   CA   LYS     127     N    LYS     170     2356     1.88
REMARK 500   CD2  LEU     198     C    VAL     223     2356     1.88
REMARK 500   O    ILE      59     NZ   LYS     133     2346     1.89
REMARK 500   CG   LYS     112     CA   LYS     172     2346     1.89
REMARK 500   O    ASN     124     O    ASN     230     2356     1.89
REMARK 500   CA   THR     125     N    LYS     170     2356     1.89
REMARK 500   O    ASP     139     CD   LYS     168     2356     1.89
REMARK 500   CB   THR     200     OG   SER     220     2356     1.89
REMARK 500   O    LYS      24     OD1  ASP     180     1655     1.90
REMARK 500   NE2  HIS      64     CB   VAL     150     2356     1.90
REMARK 500   CE2  PHE      66     O    GLY     132     2346     1.90
REMARK 500   OD1  ASP      75     OD1  ASP     232     2356     1.90
REMARK 500   N    TYR      88     CA   GLU     239     2356     1.90
REMARK 500   NZ   LYS     112     CD1  ILE     167     2346     1.90
REMARK 500   CD2  LEU     141     CA   ARG     227     2356     1.90
REMARK 500   CD2  LEU     203     OE1  GLU     221     2356     1.90
REMARK 500   CB   TYR       7     O    ASP      71     2346     1.91
REMARK 500   CA   LEU      60     CD   LYS     133     2346     1.91
REMARK 500   O    LEU      60     OD2  ASP     130     2346     1.91
REMARK 500   CB   ASN      67     C    ASP     101     2356     1.91
REMARK 500   O    PHE      70     C    ASP     243     2356     1.91
REMARK 500   CA   HIS      94     CD2  LEU     100     2356     1.91
REMARK 500   CD2  HIS      94     N    ASP     101     2356     1.91
REMARK 500   CB   HIS     122     C    LEU     240     2356     1.91
REMARK 500   C    THR     125     C    THR     169     2356     1.91
REMARK 500   CG   TYR     128     N    LYS     168     2356     1.91
REMARK 500   C    GLN     136     O    ASP     162     2356     1.91
REMARK 500   O    THR     200     O    SER     220     2356     1.91
REMARK 500   CZ   PHE      20     N    ALA     153     2356     1.92
REMARK 500   N    LEU      57     CH2  TRP     245     2356     1.92
REMARK 500   CD2  LEU      57     CE3  TRP     245     2356     1.92
REMARK 500   CA   ASN      61     C    TYR     128     2346     1.92
REMARK 500   O    ALA      65     CA   ASP     130     2346     1.92
REMARK 500   CA   LEU      79     CB   GLU     238     2356     1.92
REMARK 500   O    LYS      80     OE2  GLU     238     2356     1.92
REMARK 500   ND1  HIS      94     CB   LEU     100     2356     1.92
REMARK 500   N    GLN     137     CA   ASP     165     2356     1.92
REMARK 500   O    ASP     139     CB   LYS     168     2356     1.92
REMARK 500   O    PRO     201     C    SER     219     2356     1.92
REMARK 500   CA   LYS       9     N    GLN      53     2346     1.93
REMARK 500   CG   ASN      61     CA   TYR     128     2346     1.93
REMARK 500   O    ALA      65     C    GLY     129     2346     1.93
REMARK 500   OD1  ASN      67     C    LEU     100     2356     1.93
REMARK 500   N    TYR      88     CD   GLU     239     2356     1.93
REMARK 500   CG   LEU      90     CG2  VAL     242     2356     1.93
REMARK 500   C    PHE      93     CD1  LEU     100     2356     1.93
REMARK 500   N    LYS     113     CB   SER     173     2346     1.93
REMARK 500   C    ASN     124     C    ASN     230     2356     1.93
REMARK 500   O    THR     125     C    LYS     170     2356     1.93
REMARK 500   CE2  PHE     131     O    PHE     226     2356     1.93
REMARK 500   C    LEU     141     CA   LYS     228     2356     1.93
REMARK 500   ND2  ASN      67     O    GLU     103     2356     1.94
REMARK 500   CG   ARG      89     CA   PHE     231     2356     1.94
REMARK 500   CD1  ILE      91     NE1  TRP      97     2356     1.94
REMARK 500   N    ASN     124     CA   ASN     230     2356     1.94
REMARK 500   CB   THR     125     C    ASP     232     2356     1.94
REMARK 500   CD   PRO     201     N    SER     220     2356     1.94
REMARK 500   C    HIS      17     O    ASN     178     1655     1.95
REMARK 500   OD1  ASN      67     CA   ASP     101     2356     1.95
REMARK 500   OD1  ASN      67     O    LEU     100     2356     1.95
REMARK 500   OD1  ASP      75     CG   ASP     232     2356     1.95
REMARK 500   CA   PHE      93     CD1  LEU     100     2356     1.95
REMARK 500   CE2  TRP      97     CB   PHE     131     2346     1.95
REMARK 500   OD1  ASN     124     CB   ASN     230     2356     1.95
REMARK 500   N    TYR     128     C    THR     169     2356     1.95
REMARK 500   CB   LEU     141     C    ARG     227     2356     1.95
REMARK 500   O    LEU     204     CD   LYS     225     2356     1.95
REMARK 500   CG   HIS      10     CD   GLN      53     2346     1.96
REMARK 500   CG1  ILE      59     CE   LYS     133     2346     1.96
REMARK 500   CB   ASN      67     O    GLY     102     2356     1.96
REMARK 500   C    PHE      70     O    ASP     243     2356     1.96
REMARK 500   O    GLY      86     O    PRO     237     2356     1.96
REMARK 500   CB   TYR      88     C    GLU     239     2356     1.96
REMARK 500   CB   TRP     123     N    LEU     229     2356     1.96
REMARK 500   NE1  TRP     123     CG   MET     241     2356     1.96
REMARK 500   CA   LEU     141     O    LYS     228     2356     1.96
REMARK 500   N    THR     199     CD1  LEU     224     2356     1.96
REMARK 500   C    PRO     202     C    GLU     221     2356     1.96
REMARK 500   CD2  TYR       7     N    ASP      72     2346     1.97
REMARK 500   C    LYS      18     O    THR     177     1655     1.97
REMARK 500   CB   ASN      61     CA   TYR     128     2346     1.97
REMARK 500   N    LYS      80     N    GLU     238     2356     1.97
REMARK 500   CA   LYS      80     CD   GLU     238     2356     1.97
REMARK 500   O    GLY     140     O    LYS     228     2356     1.97
REMARK 500   NE2  GLN     158     CD1  LEU     204     2346     1.97
REMARK 500   CA   VAL     207     CE   LYS     228     2356     1.97
REMARK 500   CB   VAL     207     NZ   LYS     228     2356     1.97
REMARK 500   N    LEU      60     CG   LYS     133     2346     1.98
REMARK 500   O    LEU      79     CB   GLU     238     2356     1.98
REMARK 500   CA   LYS      80     CB   GLU     238     2356     1.98
REMARK 500   OG1  THR      87     O    GLU     236     2356     1.98
REMARK 500   N    ARG      89     N    MET     241     2356     1.98
REMARK 500   N    ILE      91     O    VAL     242     2356     1.98
REMARK 500   CB   PHE      93     CB   SER      99     2356     1.98
REMARK 500   CB   HIS     122     O    LEU     240     2356     1.98
REMARK 500   ND2  ASN     124     CG2  THR     169     2356     1.98
REMARK 500   CA   LYS     127     C    LYS     170     2356     1.98
REMARK 500   C    LYS     127     C    THR     169     2356     1.98
REMARK 500   N    VAL     135     CD1  LEU     164     2356     1.98
REMARK 500   CD   PRO     202     CA   GLN     222     2356     1.98
REMARK 500   O    GLY       6     OD1  ASP      71     2346     1.99
REMARK 500   CB   TYR       7     CA   ASP      72     2346     1.99
REMARK 500   N    HIS      10     CB   GLN      53     2346     1.99
REMARK 500   NE2  HIS      10     CB   LYS      76     2346     1.99
REMARK 500   CB   TYR      88     C    GLU     239     2356     1.99
REMARK 500   CD   ARG      89     CA   PHE     231     2356     1.99
REMARK 500   CD1  ILE      91     CE2  TRP      97     2356     1.99
REMARK 500   CG   PHE      93     OG   SER      99     2356     1.99
REMARK 500   C    TRP     123     CA   ASN     230     2356     1.99
REMARK 500   C    THR     125     CB   LYS     170     2356     1.99
REMARK 500   CB   VAL     135     CG   LEU     164     2356     1.99
REMARK 500   CG   ASP     162     CD1  LEU     204     2346     1.99
REMARK 500   CB   THR     200     CA   SER     220     2356     1.99
REMARK 500   N    PRO     201     N    GLU     221     2356     1.99
REMARK 500   CD   PRO      13     CG   ASP      71     2346     2.00
REMARK 500   CD2  LEU      57     C    TRP     245     2356     2.00
REMARK 500   ND2  ASN      67     O    LEU     100     2356     2.00
REMARK 500   C    GLU      69     NE1  TRP     245     2356     2.00
REMARK 500   OD1  ASP      72     CG   ASN     244     2356     2.00
REMARK 500   N    LYS      80     OE2  GLU     238     2356     2.00
REMARK 500   C    GLY      86     O    GLU     236     2356     2.00
REMARK 500   CA   LEU      90     O    LEU     240     2356     2.00
REMARK 500   CD1  LEU      90     OD1  ASP     243     2356     2.00
REMARK 500   CE1  HIS      94     CA   LEU     100     2356     2.00
REMARK 500   CG   TRP     123     O    MET     241     2356     2.00
REMARK 500   CA   ASN     124     C    ASN     230     2356     2.00
REMARK 500   N    THR     125     C    ASN     230     2356     2.00
REMARK 500   CZ   TYR     128     N    THR     169     2356     2.00
REMARK 500   OE1  GLN     136     CG1  VAL     163     2356     2.00
REMARK 500   CA   GLY     140     CE   LYS     168     2356     2.00
REMARK 500   N    HIS      10     CA   GLN      53     2346     2.01
REMARK 500   CB   HIS      10     CG   GLN      53     2346     2.01
REMARK 500   CD   PRO      21     ND2  ASN     178     1655     2.01
REMARK 500   CD2  LEU      57     CD2  TRP     245     2356     2.01
REMARK 500   CD1  LEU      60     C    LYS     113     2356     2.01
REMARK 500   O    ALA      65     N    ASP     130     2346     2.01
REMARK 500   N    THR      87     O    GLU     236     2356     2.01
REMARK 500   C    GLN      92     C    SER      99     2356     2.01
REMARK 500   NE1  TRP      97     CG   PHE     131     2346     2.01
REMARK 500   OG1  THR     125     C    PHE     231     2356     2.01
REMARK 500   CA   PHE     131     CD2  LEU     229     2356     2.01
REMARK 500   O    PRO     138     NZ   LYS     168     2356     2.01
REMARK 500   N    THR     200     OG   SER     220     2356     2.01
REMARK 500   N    PRO     202     O    SER     219     2356     2.01
REMARK 500   CD   PRO     202     CG   GLN     222     2356     2.01
REMARK 500   CD2  TRP       5     O    GLY     151     2356     2.02
REMARK 500   ND2  ASN      67     CA   GLU     103     2356     2.02
REMARK 500   O    ASP      72     CE2  PHE     231     2356     2.02
REMARK 500   CG   PHE      93     CD1  LEU     100     2356     2.02
REMARK 500   O    TYR     128     CG1  ILE     167     2356     2.02
REMARK 500   O    PHE     131     CD2  LEU     164     2356     2.02
REMARK 500   CG   GLN     137     C    ASP     165     2356     2.02
REMARK 500   OE1  GLN     137     OG   SER     166     2356     2.02
REMARK 500   C    VAL     207     NZ   LYS     228     2356     2.02
REMARK 500   CD1  TYR       7     C    ASP      72     2346     2.03
REMARK 500   CA   LEU      60     CG   LYS     133     2346     2.03
REMARK 500   OD2  ASP      72     CZ   PHE     231     2356     2.03
REMARK 500   CB   LYS      80     CB   PRO     237     2356     2.03
REMARK 500   CD1  ILE      91     CD1  TRP      97     2356     2.03
REMARK 500   N    PHE      93     N    SER      99     2356     2.03
REMARK 500   CD2  TYR     128     CG   LYS     172     2356     2.03
REMARK 500   CD1  PHE     131     CB   PHE     226     2356     2.03
REMARK 500   CD2  PHE     131     O    PHE     226     2356     2.03
REMARK 500   N    GLN     136     CG   LEU     164     2356     2.03
REMARK 500   CG   GLN     136     N    LEU     164     2356     2.03
REMARK 500   O    GLN     137     CG   ASP     165     2356     2.03
REMARK 500   CA   LEU     198     CG   LEU     224     2356     2.03
REMARK 500   CD   PRO     201     C    SER     219     2356     2.03
REMARK 500   N    ASP      11     CE   LYS      76     2346     2.04
REMARK 500   CD1  LEU      57     CD   PRO     247     2356     2.04
REMARK 500   CB   ILE      59     NZ   LYS     133     2346     2.04
REMARK 500   ND2  ASN      61     N    TYR     128     2346     2.04
REMARK 500   CB   GLU      69     CD1  TRP     245     2356     2.04
REMARK 500   OE2  GLU      69     C    GLU     103     2356     2.04
REMARK 500   CD   GLN      92     O    LEU     100     2356     2.04
REMARK 500   OE1  GLN      92     CA   LEU     100     2356     2.04
REMARK 500   CB   PHE      93     CD1  LEU     100     2356     2.04
REMARK 500   CG   HIS      94     N    ASP     101     2356     2.04
REMARK 500   CG1  VAL     121     CG   ARG     227     2356     2.04
REMARK 500   CG1  VAL     121     CA   ARG     227     2356     2.04
REMARK 500   CA   LYS     127     CA   LYS     170     2356     2.04
REMARK 500   CB   LYS     127     OG1  THR     169     2356     2.04
REMARK 500   O    TYR     128     CG2  ILE     167     2356     2.04
REMARK 500   C    LEU     141     O    LYS     228     2356     2.04
REMARK 500   OD1  ASP     162     CG   LEU     204     2346     2.04
REMARK 500   N    LEU     203     O    GLU     221     2356     2.04
REMARK 500   CG1  VAL     207     CD   LYS     228     2356     2.04
REMARK 500   O    TYR       7     O    ASP      71     2346     2.05
REMARK 500   C    ILE      59     CD   LYS     133     2346     2.05
REMARK 500   CG   LEU      60     N    LYS     113     2356     2.05
REMARK 500   C    ASN      61     C    GLY     129     2346     2.05
REMARK 500   N    ASP      62     O    GLY     129     2346     2.05
REMARK 500   CA   ARG      89     C    LEU     240     2356     2.05
REMARK 500   CZ2  TRP      97     CG   PHE     131     2346     2.05
REMARK 500   CG   HIS     122     CG   LEU     240     2356     2.05
REMARK 500   CE2  PHE     131     CA   PHE     226     2356     2.05
REMARK 500   N    GLN     136     C    VAL     163     2356     2.05
REMARK 500   CG   LEU     198     N    LYS     225     2356     2.05
REMARK 500   CA   THR     200     CA   SER     220     2356     2.05
REMARK 500   C    LYS      18     OD1  ASN     178     1655     2.06
REMARK 500   C    PHE      66     OD1  ASP     130     2346     2.06
REMARK 500   CB   PHE      66     CG   ASP     130     2346     2.06
REMARK 500   OD1  ASN      67     CA   GLY     102     2356     2.06
REMARK 500   CB   ARG      89     N    PHE     231     2356     2.06
REMARK 500   O    TRP     123     CB   MET     241     2356     2.06
REMARK 500   CG   TRP     123     CB   LEU     229     2356     2.06
REMARK 500   CA   ASN     124     CB   ASN     230     2356     2.06
REMARK 500   OE1  GLN     158     CB   PRO     202     2346     2.06
REMARK 500   CB   PRO     201     N    SER     219     2356     2.06
REMARK 500   O    PRO     202     N    GLU     221     2356     2.06
REMARK 500   C    GLY      86     O    GLY     233     2356     2.07
REMARK 500   N    ILE      91     N    VAL     242     2356     2.07
REMARK 500   C    ILE      91     OD2  ASP     243     2356     2.07
REMARK 500   O    LYS     111     CB   SER     173     2346     2.07
REMARK 500   CG1  VAL     121     CD   ARG     227     2356     2.07
REMARK 500   O    ASN     124     CA   THR     169     2356     2.07
REMARK 500   CD   LYS       9     N    GLN      53     2346     2.08
REMARK 500   N    LEU      60     CE   LYS     133     2346     2.08
REMARK 500   CG   PHE      66     CA   GLY     132     2346     2.08
REMARK 500   CB   ASP      72     CB   ASN     244     2356     2.08
REMARK 500   CA   LEU      90     N    VAL     242     2356     2.08
REMARK 500   CG2  ILE      91     O    GLY      98     2356     2.08
REMARK 500   NE2  GLN      92     NE   ARG     227     2356     2.08
REMARK 500   CA   HIS      94     CG   LEU     100     2356     2.08
REMARK 500   N    ASP     139     CE   LYS     168     2356     2.08
REMARK 500   N    LEU     141     CB   LYS     228     2356     2.08
REMARK 500   C    LEU     198     CG   LEU     224     2356     2.08
REMARK 500   CB   PRO     201     C    SER     219     2356     2.08
REMARK 500   CD1  TYR       7     N    ASP      72     2346     2.09
REMARK 500   C    LYS      24     OD1  ASP     180     1655     2.09
REMARK 500   NE   ARG      89     CA   PHE     231     2356     2.09
REMARK 500   CG   GLN      92     O    GLU     103     2356     2.09
REMARK 500   ND1  HIS     122     CB   LEU     240     2356     2.09
REMARK 500   O    ASN     124     N    THR     169     2356     2.09
REMARK 500   CG1  VAL     161     CG   LEU     204     2346     2.09
REMARK 500   CG   LEU     203     CD   GLU     221     2356     2.09
REMARK 500   CE1  PHE      20     CA   ALA     153     2356     2.10
REMARK 500   NH1  ARG      58     CA   PRO     247     2356     2.10
REMARK 500   O    ASP      62     NZ   LYS     149     2356     2.10
REMARK 500   CB   TYR      88     ND2  ASN     230     2356     2.10
REMARK 500   CB   ILE      91     N    ASP     243     2356     2.10
REMARK 500   ND1  HIS      94     C    LEU     100     2356     2.10
REMARK 500   N    LYS     127     CA   LYS     170     2356     2.10
REMARK 500   CA   ASP     139     CD   LYS     168     2356     2.10
REMARK 500   CD1  LEU     198     N    LYS     225     2356     2.10
REMARK 500   CZ3  TRP       5     CB   SER      73     2346     2.11
REMARK 500   NZ   LYS       9     C    SER      50     2346     2.11
REMARK 500   O    HIS      17     C    ASN     178     1655     2.11
REMARK 500   N    TYR      88     C    GLU     239     2356     2.11
REMARK 500   O    LYS     127     N    LYS     172     2356     2.11
REMARK 500   CA   ASP     139     NZ   LYS     168     2356     2.11
REMARK 500   O    PRO     201     N    SER     220     2356     2.11
REMARK 500   N    PRO     202     N    GLN     222     2356     2.11
REMARK 500   CB   PRO     202     CB   GLN     222     2356     2.11
REMARK 500   CD   PRO      13     CB   ASP      71     2346     2.12
REMARK 500   OD1  ASP      75     OD2  ASP     232     2356     2.12
REMARK 500   CD   GLN      92     CZ   ARG     227     2356     2.12
REMARK 500   N    PHE      93     OE1  GLU     103     2356     2.12
REMARK 500   CA   PHE      93     N    LEU     100     2356     2.12
REMARK 500   CB   LYS     111     C    SER     173     2346     2.12
REMARK 500   CD   LYS     112     CD1  ILE     167     2346     2.12
REMARK 500   CG1  VAL     135     CD1  LEU     164     2356     2.12
REMARK 500   CG   GLN     136     CB   VAL     163     2356     2.12
REMARK 500   CB   LEU     141     CG   LYS     228     2356     2.12
REMARK 500   C    THR     200     CB   SER     220     2356     2.12
REMARK 500   CD1  LEU     203     CG   GLU     221     2356     2.12
REMARK 500   O    TYR       7     CB   ASP      71     2346     2.13
REMARK 500   OD2  ASP      75     CB   ASP     232     2356     2.13
REMARK 500   CD2  LEU      79     CB   LEU     240     2356     2.13
REMARK 500   CA   THR      87     O    GLU     236     2356     2.13
REMARK 500   CA   ARG      89     CD1  PHE     231     2356     2.13
REMARK 500   CG   GLN      92     O    LEU     100     2356     2.13
REMARK 500   NE1  TRP      97     CD2  PHE     131     2346     2.13
REMARK 500   CG   HIS     122     CB   LEU     240     2356     2.13
REMARK 500   N    THR     125     O    ASN     230     2356     2.13
REMARK 500   CB   THR     125     CA   ASP     232     2356     2.13
REMARK 500   O    LYS     127     CG   LYS     172     2356     2.13
REMARK 500   CA   GLN     136     O    VAL     163     2356     2.13
REMARK 500   C    GLN     136     O    VAL     163     2356     2.13
REMARK 500   CD   LYS       9     CA   TYR      51     2346     2.14
REMARK 500   N    ASP      19     CG   ASN     178     1655     2.14
REMARK 500   C    LEU      57     CZ2  TRP     245     2356     2.14
REMARK 500   NH1  ARG      58     C    ARG     246     2356     2.14
REMARK 500   CD2  PHE      66     N    GLY     132     2346     2.14
REMARK 500   CE2  PHE      66     CA   GLY     132     2346     2.14
REMARK 500   N    ASN      67     OD2  ASP     130     2346     2.14
REMARK 500   O    ASN      67     C    GLY     102     2356     2.14
REMARK 500   CG1  VAL      68     OE1  GLU     103     2356     2.14
REMARK 500   OD1  ASP      72     N    ASN     244     2356     2.14
REMARK 500   OD2  ASP      72     CE2  PHE     231     2356     2.14
REMARK 500   CG   ASP      75     OD1  ASP     232     2356     2.14
REMARK 500   O    LEU      79     N    GLU     238     2356     2.14
REMARK 500   CD2  LEU      79     CG   LEU     240     2356     2.14
REMARK 500   CG2  THR      87     CA   ASP     232     2356     2.14
REMARK 500   CG   ARG      89     N    PHE     231     2356     2.14
REMARK 500   NE   ARG      89     CB   PHE     231     2356     2.14
REMARK 500   CD1  ILE      91     CG   TRP      97     2356     2.14
REMARK 500   N    TRP     123     C    LEU     229     2356     2.14
REMARK 500   CD2  PHE     131     C    PHE     226     2356     2.14
REMARK 500   CD   PRO     138     OD1  ASP     165     2356     2.14
REMARK 500   CG   LEU     141     CA   LYS     228     2356     2.14
REMARK 500   CD2  LEU     141     C    PHE     226     2356     2.14
REMARK 500   CB   LYS       9     CB   GLN      53     2346     2.15
REMARK 500   CG   LYS       9     CA   ASP      52     2346     2.15
REMARK 500   CA   ASP      11     CE   LYS      76     2346     2.15
REMARK 500   CB   ASP      19     OD1  ASN     178     1655     2.15
REMARK 500   CA   ILE      59     CE   LYS     133     2346     2.15
REMARK 500   CB   LYS      80     OE1  GLU     238     2356     2.15
REMARK 500   CB   ARG      89     CD1  PHE     231     2356     2.15
REMARK 500   N    HIS     122     CB   VAL     242     2356     2.15
REMARK 500   N    TRP     123     C    MET     241     2356     2.15
REMARK 500   CB   LYS      24     CG   ASP     180     1655     2.16
REMARK 500   CD2  HIS      64     CB   VAL     150     2356     2.16
REMARK 500   C    PHE      66     CG   ASP     130     2346     2.16
REMARK 500   O    VAL      68     OE1  GLU     103     2356     2.16
REMARK 500   CA   TYR      88     CG   GLU     239     2356     2.16
REMARK 500   O    GLN      92     C    SER      99     2356     2.16
REMARK 500   N    PHE      93     OG   SER      99     2356     2.16
REMARK 500   CD2  HIS     122     CG   LEU     240     2356     2.16
REMARK 500   CA   GLN     136     CA   LEU     164     2356     2.16
REMARK 500   N    THR     200     CB   SER     220     2356     2.16
REMARK 500   C    PRO     202     CA   GLU     221     2356     2.16
REMARK 500   CE   LYS       9     N    TYR      51     2346     2.17
REMARK 500   CE1  TYR     128     N    THR     169     2356     2.17
REMARK 500   N    ALA     134     CD2  LEU     164     2356     2.17
REMARK 500   C    ALA     134     CB   LEU     164     2356     2.17
REMARK 500   O    GLN     136     C    VAL     163     2356     2.17
REMARK 500   C    LEU     141     C    LYS     228     2356     2.17
REMARK 500   CD2  LEU     198     O    VAL     223     2356     2.17
REMARK 500   CA   PRO     201     N    SER     220     2356     2.17
REMARK 500   CB   THR      87     CG   ASP     232     2356     2.18
REMARK 500   NE   ARG      89     CG   PHE     231     2356     2.18
REMARK 500   N    HIS      94     CD1  LEU     100     2356     2.18
REMARK 500   N    LYS     113     OG   SER     173     2346     2.18
REMARK 500   CA   ASN     124     O    ASN     230     2356     2.18
REMARK 500   CA   TYR     128     O    THR     169     2356     2.18
REMARK 500   C    HIS       4     OG   SER     152     2356     2.19
REMARK 500   CB   TYR       7     CB   ASP      71     2346     2.19
REMARK 500   CG   LYS       9     C    TYR      51     2346     2.19
REMARK 500   CA   ASN      61     N    GLY     129     2346     2.19
REMARK 500   O    GLY      63     NE   ARG      89     2346     2.19
REMARK 500   CB   GLU      69     CE2  TRP     245     2356     2.19
REMARK 500   C    LYS      80     CD   GLU     238     2356     2.19
REMARK 500   N    TYR      88     O    GLU     239     2356     2.19
REMARK 500   CZ   ARG      89     O    PHE     231     2356     2.19
REMARK 500   CG1  ILE      91     O    TRP      97     2356     2.19
REMARK 500   CD1  ILE      91     CD2  TRP      97     2356     2.19
REMARK 500   CB   GLN      92     O    GLY      98     2356     2.19
REMARK 500   O    ASN     124     O    LYS     168     2356     2.19
REMARK 500   N    THR     125     CA   THR     169     2356     2.19
REMARK 500   OE1  GLN     137     N    SER     166     2356     2.19
REMARK 500   CD   PRO     138     CG   ASP     165     2356     2.19
REMARK 500   CA   LEU     141     N    LEU     229     2356     2.19
REMARK 500   OG   SER     197     NZ   LYS     225     2356     2.19
REMARK 500   CG2  THR     200     CB   SER     220     2356     2.19
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),F6.3)
REMARK 500
REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991
REMARK 500
REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION
REMARK 500    PRO    30   CB    PRO    30   CG     0.331
REMARK 500    PRO    30   CA    PRO    30   C      0.159
REMARK 500    PRO    30   C     PRO    30   O     -0.170
REMARK 500    PRO    30   C     VAL    31   N      0.274
REMARK 500    PRO   202   N     PRO   202   CA    -0.200
REMARK 500    PRO   202   CG    PRO   202   CD     0.178
REMARK 500    PRO   202   CA    PRO   202   C      0.155
REMARK 500    LEU   203   N     LEU   203   CA     0.292
REMARK 500    PRO   202   C     LEU   203   N     -0.192
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: ENGH AND HUBER, 1991
REMARK 500
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3
REMARK 500    PRO    30   N   -  CA  -  CB  ANGL. DEV. = 29.3 DEGREES
REMARK 500    LYS    39   N   -  CA  -  C   ANGL. DEV. = 34.2 DEGREES
REMARK 500    TYR    40   N   -  CA  -  C   ANGL. DEV. = 27.7 DEGREES
REMARK 500    ASP    72   N   -  CA  -  C   ANGL. DEV. = 27.7 DEGREES
REMARK 500    TYR    88   N   -  CA  -  C   ANGL. DEV. =-39.5 DEGREES
REMARK 500    TYR    88   C   -  N   -  CA  ANGL. DEV. =-47.7 DEGREES
REMARK 500    VAL   160   N   -  CA  -  C   ANGL. DEV. =-38.6 DEGREES
REMARK 500    VAL   160   C   -  N   -  CA  ANGL. DEV. =-38.3 DEGREES
REMARK 500    PHE   179   N   -  CA  -  C   ANGL. DEV. = 25.8 DEGREES
REMARK 500    LEU   203   C   -  N   -  CA  ANGL. DEV. =-30.4 DEGREES
REMARK 500    GLU   221   N   -  CA  -  C   ANGL. DEV. = 28.9 DEGREES
REMARK 500    ASN   253   N   -  CA  -  C   ANGL. DEV. = 29.3 DEGREES
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  M RES CSSEQI        PSI       PHI
REMARK 500    LYS     9      -63.85     59.64
REMARK 500    ASN   178       71.60    123.33
REMARK 500    ASP   180       68.53    141.03
REMARK 500    LEU   204     -174.84    -16.56
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 PRO     30    VAL     31                  133.43
SEQRES   1    260  ACE SER HIS HIS TRP GLY TYR GLY LYS HIS ASP GLY PRO
SEQRES   2    260  GLU HIS TRP HIS LYS ASP PHE PRO ILE ALA LYS GLY GLU
SEQRES   3    260  ARG GLN SER PRO VAL ASP ILE ASP THR HIS THR ALA LYS
SEQRES   4    260  TYR ASP PRO SER LEU LYS PRO LEU SER VAL SER TYR ASP
SEQRES   5    260  GLN ALA THR SER LEU ARG ILE LEU ASN ASP GLY HIS ALA
SEQRES   6    260  PHE ASN VAL GLU PHE ASP ASP SER GLU ASP LYS ALA VAL
SEQRES   7    260  LEU LYS GLY GLY PRO LEU ASP GLY THR TYR ARG LEU ILE
SEQRES   8    260  GLN PHE HIS PHE HIS TRP GLY SER LEU ASP GLY GLU GLY
SEQRES   9    260  SER GLN HIS THR VAL ASP LYS LYS LYS TYR ALA ALA GLU
SEQRES  10    260  LEU HIS LEU VAL HIS TRP ASN THR LYS TYR GLY ASP PHE
SEQRES  11    260  GLY LYS ALA VAL GLN GLN PRO ASP GLY LEU ALA VAL LEU
SEQRES  12    260  GLY ILE PHE LEU LYS VAL GLY SER ALA LYS PRO GLY LEU
SEQRES  13    260  GLN LYS VAL VAL ASP VAL LEU ASP SER ILE LYS THR LYS
SEQRES  14    260  GLY LYS SER ALA ASP PHE THR ASN PHE ASP PRO ARG GLY
SEQRES  15    260  LEU LEU PRO GLU SER LEU ASP TYR TRP THR TYR PRO GLY
SEQRES  16    260  SER LEU THR THR PRO PRO LEU LEU GLU CYS VAL THR TRP
SEQRES  17    260  ILE VAL LEU LYS GLU PRO ILE SER VAL SER SER GLU GLN
SEQRES  18    260  VAL LEU LYS PHE ARG LYS LEU ASN PHE ASP GLY GLU GLY
SEQRES  19    260  GLU PRO GLU GLU LEU MET VAL ASP ASN TRP ARG PRO ALA
SEQRES  20    260  GLN PRO LEU LYS ASN ARG GLN ILE LYS ALA SER PHE LYS
FTNOTE   1 RESIDUES 30 AND 202 ARE CIS-PROLINES, THEY WERE NOT REFINED
FTNOTE   2 CYSTINE 206 IS MODIFIABLE BY MERCURIALS.
FTNOTE   3 HISTIDINE RESIDUES 94,96 AND 119 ARE ZINC LIGANDS.
FTNOTE   4 HISTIDINE RESIDUE 64 IS LOCATED IN THE ACTIVE SITE.
FTNOTE   5 COORDINATES FOR THE ZINC ATOM WERE MEASURED FROM THE MODEL.
HET     ZN      1       1
HETNAM      ZN ZINC ION
FORMUL   2   ZN    ZN 2+
HELIX    1   A TRP     16  PHE     20  1CONTIGUOUS WITH HELIX B            5
HELIX    2   B PHE     20  GLY     25  5CONTIGUOUS WITH HELIX A            6
HELIX    3   C ASP     34  ALA     38  1REVERSE TURN IN ISOZYME B.         5
HELIX    4   D ASP    130  GLN    137  1ALSO DESIGNATED AS 3/10 HELIX      8
HELIX    5  E1 PRO    155  ASP    162  1CONTIGUOUS WITH HELIX E2           8
HELIX    6  E2 ASP    162  LYS    168  1CONTIGUOUS WITH HELIX E1           7
HELIX    7   F PRO    181  LEU    185  5                                   5
HELIX    8   G SER    219  LEU    229  1                                  11
SHEET    1   S10 LYS    39  ASP    41  0
SHEET    2   S10 ILE   256  SER   259  1  N  ASP    41   O  ALA   258
SHEET    3   S10 TYR   191  GLY   196 -1  N  THR   193   O  LYS   257
SHEET    4   S10 CYS   206  LEU   212 -1  N  TRP   209   O  TYR   194
SHEET    5   S10 GLY   140  GLY   151  1  N  VAL   143   O  THR   208
SHEET    6   S10 ALA   116  ASN   124 -1  N  LEU   120   O  LEU   144
SHEET    7   S10 THR    87  HIS    96 -1  N  HIS    94   O  HIS   119
SHEET    8   S10 ALA    65  ASP    71 -1  N  VAL    68   O  PHE    93
SHEET    9   S10 THR    55  ASP    62 -1  N  LEU    60   O  ASN    67
SHEET   10   S10 GLY   171  PHE   176 -1  N  ALA   174   O  ILE    59
TURN     1  T1 GLY     8  ASP    11     TURN DESIGNATED TYPE I (3/10)
TURN     2  T2 PRO    13  TRP    16     TYPE I (3/10)
TURN     3  T3 TYR    51  ALA    54     OPEN TURN
TURN     4  T4 ASP    62  ALA    65     REVERSE TURN
TURN     5  T5 GLY    81  LEU    84     TYPE I (3/10)
TURN     6  T6 VAL   109  LYS   112     REVERSE TURN
TURN     7  T7 ASN   124  TYR   128     TYPE I (3/10) NOTE 126 ABSENT
TURN     8  T8 GLN   137  GLY   140     TYPE I (3/10)
TURN     9  T9 GLY   233  GLU   236     OPEN TURN
TURN    10 T10 LEU   251  ARG   254     OPEN TURN
CISPEP   1 SER     29    PRO     30          0        21.27
CISPEP   2 PRO    201    PRO    202          0        -2.77
CRYST1   42.700   41.700   73.000  90.00 104.60  90.00 P 1 21 1      2
ORIGX1      1.000000  0.000000  0.000000        0.00000
ORIGX2      0.000000  1.000000  0.000000        0.00000
ORIGX3      0.000000  0.000000  1.000000        0.00000
SCALE1     -0.024173  0.001163 -0.000098       -0.44566
SCALE2     -0.001155 -0.023935  0.000919       -0.81996
SCALE3      0.003561 -0.001187  0.013833        0.18457
      
PROCHECK
Go to PROCHECK summary
 References