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Database: PDB
Entry: 1LMJ
LinkDB: 1LMJ
Original site: 1LMJ 
HEADER    STRUCTURAL PROTEIN                      02-MAY-02   1LMJ              
TITLE     NMR STUDY OF THE FIBRILLIN-1 CBEGF12-13 PAIR OF CA2+                  
TITLE    2 BINDING EPIDERMAL GROWTH FACTOR-LIKE DOMAINS                         
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: FIBRILLIN 1;                                               
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: CBEGF12-13;                                                
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: FBN1;                                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: NM554 AND BL21;                            
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PQE30                                     
KEYWDS    EGF, CALCIUM, MICROFIBRIL, NEONATAL, MARFAN SYNDROME,                 
KEYWDS   2 CONNECTIVE TISSUE, EXTRACELLULAR MATRIX, STRUCTURAL PROTEIN          
EXPDTA    SOLUTION NMR                                                          
NUMMDL    25                                                                    
AUTHOR    R.S.SMALLRIDGE,P.WHITEMAN,J.M.WERNER,I.D.CAMPBELL,                    
AUTHOR   2 P.A.HANDFORD,A.K.DOWNING                                             
REVDAT   2   24-FEB-09 1LMJ    1       VERSN                                    
REVDAT   1   29-APR-03 1LMJ    0                                                
JRNL        AUTH   R.S.SMALLRIDGE,P.WHITEMAN,J.M.WERNER,I.D.CAMPBELL,           
JRNL        AUTH 2 P.A.HANDFORD,A.K.DOWNING                                     
JRNL        TITL   SOLUTION STRUCTURE AND DYNAMICS OF A CALCIUM                 
JRNL        TITL 2 BINDING EPIDERMAL GROWTH FACTOR-LIKE DOMAIN PAIR             
JRNL        TITL 3 FROM THE NEONATAL REGION OF HUMAN FIBRILLIN-1.               
JRNL        REF    J.BIOL.CHEM.                  V. 278 12199 2003              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   12511552                                                     
JRNL        DOI    10.1074/JBC.M208266200                                       
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR 3.81                                          
REMARK   3   AUTHORS     : BRUNGER                                              
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: 1892 DISTANCE CONSTRAINTS INCLUDING       
REMARK   3  411 AMBIGUOUS CONSTRAINTS, 26 TORSION ANGLE PHI RESTRAINTS, 24      
REMARK   3  RESTRAINTS FOR 12 HYDROGEN BONDS RMSD FROM EXPERIMENTAL             
REMARK   3  RESTRAINTS ALL 0.013+/-0.001 (1932) INTRARESIDUE 0.009+/-0.002      
REMARK   3  (504) SEQUENTIAL 0.011+/-0.002 (388) SHORT-RANGE (I-J<=4)           
REMARK   3  (211) 0.015+/-0.003 LONG-RANGE 0.013+/-0.002 (378) AMBIGUOUS        
REMARK   3  0.015+/-0.002 (411) H-BONDS 0.014+/-0.004 (24) CALCIUM 0.012+/      
REMARK   3  -0.005 (16) RMSD PHI REST. 0.177+/-0.093 (26)                       
REMARK   4                                                                      
REMARK   4 1LMJ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-MAY-02.                  
REMARK 100 THE RCSB ID CODE IS RCSB016086.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 306                                
REMARK 210  PH                             : 6.5                                
REMARK 210  IONIC STRENGTH                 : 20 MM CACL2, 4.55 MM TRIS          
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 20 MM CACL2, 4.55 MM TRIS, 3       
REMARK 210                                   MM PROTEIN; 20 MM CACL2, 4.55      
REMARK 210                                   MM TRIS, 3.6 MM PROTEIN; 20 MM     
REMARK 210                                   CACL2, 4.55 MM TRIS, 3.8 MM        
REMARK 210                                   15N-PROTEIN                        
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D NOESY, 3D_15N-SEPARATED_        
REMARK 210                                   NOESY, HMQC-J, HSQC (SLOW HN)      
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ, 600 MHZ, 750 MHZ          
REMARK 210  SPECTROMETER MODEL             : OMEGA                              
REMARK 210  SPECTROMETER MANUFACTURER      : GE                                 
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : X-PLOR 3.81                        
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 25                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH ACCEPTABLE         
REMARK 210                                   COVALENT GEOMETRY                  
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 6                   
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
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  1 ASP A   4       68.52     39.20                                   
REMARK 500  1 ARG A  17      -50.39    173.21                                   
REMARK 500  1 ASP A  26     -178.38    167.30                                   
REMARK 500  1 LYS A  30       74.33   -117.88                                   
REMARK 500  1 CYS A  31     -179.71    -46.06                                   
REMARK 500  1 ASP A  32     -141.53   -106.62                                   
REMARK 500  1 GLU A  33      -92.32    -23.10                                   
REMARK 500  1 SER A  37      114.76    -33.96                                   
REMARK 500  1 MET A  42      -81.23    178.73                                   
REMARK 500  1 LYS A  43       33.49    178.01                                   
REMARK 500  1 ASN A  44     -157.97    -85.21                                   
REMARK 500  1 ASP A  47      131.01    -10.91                                   
REMARK 500  1 CYS A  58       26.98     44.01                                   
REMARK 500  1 THR A  66     -165.55   -120.01                                   
REMARK 500  1 SER A  69     -178.67    169.95                                   
REMARK 500  1 PRO A  75     -169.30    -71.85                                   
REMARK 500  1 PRO A  76      178.81    -43.22                                   
REMARK 500  1 HIS A  78     -127.95   -104.23                                   
REMARK 500  1 GLN A  79       59.90   -150.53                                   
REMARK 500  1 ASN A  83       21.21   -146.95                                   
REMARK 500  1 SER A  85       91.93     75.57                                   
REMARK 500  1 ALA A  86      103.81    150.61                                   
REMARK 500  2 GLU A   7      -52.91     68.53                                   
REMARK 500  2 ILE A  10      -37.69    -39.92                                   
REMARK 500  2 ARG A  17      -50.79    178.42                                   
REMARK 500  2 ASP A  26     -167.39    169.13                                   
REMARK 500  2 GLU A  28     -145.59   -144.74                                   
REMARK 500  2 LYS A  30       67.82   -105.82                                   
REMARK 500  2 CYS A  31      175.90    -45.40                                   
REMARK 500  2 ASP A  32      -93.15    -72.86                                   
REMARK 500  2 GLU A  33      -39.87   -141.95                                   
REMARK 500  2 MET A  40      -31.79    176.69                                   
REMARK 500  2 MET A  42      -21.15    104.62                                   
REMARK 500  2 LYS A  43      100.32   -171.38                                   
REMARK 500  2 ASN A  44       33.72   -158.98                                   
REMARK 500  2 CYS A  45      106.74      9.52                                   
REMARK 500  2 ASP A  47      105.30     -2.10                                   
REMARK 500  2 ILE A  48      174.46    -50.55                                   
REMARK 500  2 CYS A  58       24.66     48.97                                   
REMARK 500  2 ARG A  59       61.52    -65.22                                   
REMARK 500  2 ASN A  65      109.77    -47.83                                   
REMARK 500  2 SER A  69      178.61    158.06                                   
REMARK 500  2 PRO A  76      -28.18    -35.37                                   
REMARK 500  2 HIS A  78     -129.20    -91.85                                   
REMARK 500  2 ASN A  83       -1.24     72.62                                   
REMARK 500  2 SER A  85       84.79     65.77                                   
REMARK 500  2 ALA A  86       98.45    156.59                                   
REMARK 500  3 ASP A   4       66.54   -177.90                                   
REMARK 500  3 ARG A  17      -29.70    174.11                                   
REMARK 500  3 ASP A  26     -174.22    167.42                                   
REMARK 500  3 CYS A  31      166.10    -39.29                                   
REMARK 500  3 ASP A  32      -96.57    -55.73                                   
REMARK 500  3 PHE A  39      -46.10   -131.57                                   
REMARK 500  3 MET A  41       37.04     84.91                                   
REMARK 500  3 MET A  42       15.38   -145.36                                   
REMARK 500  3 LYS A  43       45.56     34.75                                   
REMARK 500  3 ASN A  44       35.00    -88.22                                   
REMARK 500  3 CYS A  45      102.72     22.50                                   
REMARK 500  3 ASP A  47       89.37     11.86                                   
REMARK 500  3 ILE A  48      155.81    -33.45                                   
REMARK 500  3 ARG A  59       71.55    -60.96                                   
REMARK 500  3 THR A  66     -161.93   -115.84                                   
REMARK 500  3 SER A  69     -175.80    156.32                                   
REMARK 500  3 PRO A  76      -28.54    -33.65                                   
REMARK 500  3 HIS A  78     -125.42    -89.40                                   
REMARK 500  3 SER A  85       69.18     74.08                                   
REMARK 500  3 ALA A  86      100.73    166.40                                   
REMARK 500  4 ASP A   4       85.92   -176.44                                   
REMARK 500  4 GLU A   7      -56.94     72.99                                   
REMARK 500  4 ARG A  17      -37.92    177.35                                   
REMARK 500  4 ASP A  26     -160.38    168.75                                   
REMARK 500  4 GLU A  28     -146.88   -104.77                                   
REMARK 500  4 CYS A  31     -173.78    -50.04                                   
REMARK 500  4 ASP A  32     -151.71   -136.74                                   
REMARK 500  4 GLU A  33      -86.32     -0.71                                   
REMARK 500  4 SER A  37      113.98    -28.54                                   
REMARK 500  4 PHE A  39      -24.47     88.17                                   
REMARK 500  4 MET A  42      -51.10    164.40                                   
REMARK 500  4 LYS A  43      104.81    174.38                                   
REMARK 500  4 ASN A  44       49.77   -159.66                                   
REMARK 500  4 CYS A  45      110.46     15.65                                   
REMARK 500  4 ASP A  47      126.53    -25.45                                   
REMARK 500  4 ILE A  48     -174.15    -54.68                                   
REMARK 500  4 ASP A  49       73.05   -101.55                                   
REMARK 500  4 CYS A  58       25.67     46.71                                   
REMARK 500  4 SER A  69      168.73    172.78                                   
REMARK 500  4 PRO A  76      -28.36    -35.40                                   
REMARK 500  4 HIS A  78     -130.44    -93.72                                   
REMARK 500  4 ASN A  83       -3.21     73.39                                   
REMARK 500  4 SER A  85       87.50     72.23                                   
REMARK 500  4 ALA A  86      100.85    153.78                                   
REMARK 500  5 ASP A   4       84.51    178.93                                   
REMARK 500  5 ASP A   6       84.00    -61.31                                   
REMARK 500  5 ARG A  17      -46.74   -134.90                                   
REMARK 500  5 CYS A  20      150.90    -40.22                                   
REMARK 500  5 ASP A  26     -179.73    168.68                                   
REMARK 500  5 GLU A  28     -147.52   -162.56                                   
REMARK 500  5 CYS A  29     -176.83   -170.40                                   
REMARK 500  5 CYS A  31      167.60    -40.61                                   
REMARK 500  5 ASP A  32      -99.04    -60.24                                   
REMARK 500  5 MET A  41       38.11     86.53                                   
REMARK 500  5 LYS A  43       96.68     51.93                                   
REMARK 500  5 ASN A  44       44.32   -157.20                                   
REMARK 500  5 CYS A  45      107.82      5.20                                   
REMARK 500  5 ASP A  47      102.49    -21.81                                   
REMARK 500  5 ILE A  48     -178.37    -46.91                                   
REMARK 500  5 ASP A  49       71.04   -106.82                                   
REMARK 500  5 ARG A  59      -36.61    -36.95                                   
REMARK 500  5 GLU A  67     -102.81    -49.84                                   
REMARK 500  5 SER A  69     -161.11    170.44                                   
REMARK 500  5 PRO A  76      -29.74    -37.32                                   
REMARK 500  5 HIS A  78     -127.17    -87.01                                   
REMARK 500  5 ASN A  83       33.33   -149.76                                   
REMARK 500  5 SER A  85       84.08     82.73                                   
REMARK 500  5 ALA A  86      102.68    158.63                                   
REMARK 500  6 ASP A   4       91.24    167.23                                   
REMARK 500  6 GLU A   7      -55.89     72.07                                   
REMARK 500  6 ARG A  17      -40.86    153.63                                   
REMARK 500  6 ASP A  26     -168.22    169.43                                   
REMARK 500  6 ASP A  32      -91.42    -60.63                                   
REMARK 500  6 GLU A  33      -38.58   -145.39                                   
REMARK 500  6 MET A  40      -27.18    158.52                                   
REMARK 500  6 MET A  42      -87.18    179.10                                   
REMARK 500  6 LYS A  43       37.63   -162.13                                   
REMARK 500  6 ASP A  47      109.84     -6.50                                   
REMARK 500  6 ILE A  48     -177.31    -53.85                                   
REMARK 500  6 CYS A  58       24.61     47.83                                   
REMARK 500  6 THR A  66     -162.56   -111.89                                   
REMARK 500  6 SER A  69      178.15    166.00                                   
REMARK 500  6 PRO A  76      -26.94    -36.45                                   
REMARK 500  6 HIS A  78     -127.80    -90.06                                   
REMARK 500  6 ASN A  83       32.93   -158.24                                   
REMARK 500  6 SER A  85       85.32     67.62                                   
REMARK 500  6 ALA A  86      101.73    150.45                                   
REMARK 500  7 ARG A  17      -59.99    166.04                                   
REMARK 500  7 ASP A  26     -178.07    166.55                                   
REMARK 500  7 GLU A  28     -167.61   -123.32                                   
REMARK 500  7 CYS A  31     -179.20    -60.15                                   
REMARK 500  7 ASP A  32     -151.95    -90.66                                   
REMARK 500  7 GLU A  33      -74.89    -33.13                                   
REMARK 500  7 PHE A  39      -76.69   -111.94                                   
REMARK 500  7 MET A  42      -43.39    123.27                                   
REMARK 500  7 LYS A  43       20.32   -158.72                                   
REMARK 500  7 ASP A  47      103.06    -21.36                                   
REMARK 500  7 ILE A  48     -177.44    -46.52                                   
REMARK 500  7 ARG A  59      -38.46    -38.49                                   
REMARK 500  7 THR A  66     -161.98   -109.35                                   
REMARK 500  7 SER A  69     -172.70    168.20                                   
REMARK 500  7 PRO A  76     -155.54    -84.39                                   
REMARK 500  7 HIS A  78     -165.20    161.00                                   
REMARK 500  7 LEU A  80      107.81    -56.98                                   
REMARK 500  7 SER A  85       79.51     91.75                                   
REMARK 500  7 ALA A  86      102.02    154.18                                   
REMARK 500  8 ASP A   4       90.56     41.58                                   
REMARK 500  8 GLU A   7      -55.49     73.11                                   
REMARK 500  8 ARG A  17      -37.03    162.15                                   
REMARK 500  8 PRO A  24      103.14    -50.51                                   
REMARK 500  8 ASP A  26     -166.21    178.80                                   
REMARK 500  8 PHE A  27      139.86   -172.45                                   
REMARK 500  8 GLU A  28     -147.50   -105.97                                   
REMARK 500  8 CYS A  31     -174.47    -49.59                                   
REMARK 500  8 ASP A  32     -156.44   -125.96                                   
REMARK 500  8 GLU A  33      -75.52      8.32                                   
REMARK 500  8 MET A  40      -25.05    158.14                                   
REMARK 500  8 MET A  42      -63.64    166.00                                   
REMARK 500  8 LYS A  43       29.72   -177.01                                   
REMARK 500  8 ASP A  47      101.58    -21.83                                   
REMARK 500  8 ILE A  48     -173.92    -48.42                                   
REMARK 500  8 CYS A  58       21.66     49.22                                   
REMARK 500  8 ARG A  59       87.87    -62.29                                   
REMARK 500  8 SER A  69      174.31    164.69                                   
REMARK 500  8 PRO A  75     -168.54    -73.74                                   
REMARK 500  8 PRO A  76      172.96    -40.57                                   
REMARK 500  8 HIS A  78     -136.86   -139.74                                   
REMARK 500  8 GLN A  79       84.50   -150.08                                   
REMARK 500  8 ASN A  83       24.93   -163.24                                   
REMARK 500  8 SER A  85       87.68     87.15                                   
REMARK 500  8 ALA A  86       84.32    153.48                                   
REMARK 500  8 CYS A  87      152.90    -38.34                                   
REMARK 500  9 ASP A   4       82.99    158.66                                   
REMARK 500  9 ARG A  17      -60.75    174.39                                   
REMARK 500  9 PRO A  24      107.53    -55.24                                   
REMARK 500  9 ASP A  26     -167.54    173.75                                   
REMARK 500  9 GLU A  28     -167.41   -117.21                                   
REMARK 500  9 LYS A  30       76.26   -101.58                                   
REMARK 500  9 CYS A  31      169.57    -41.23                                   
REMARK 500  9 ASP A  32     -151.23    -91.78                                   
REMARK 500  9 GLU A  33      -95.91    -33.12                                   
REMARK 500  9 MET A  40      -22.22    158.65                                   
REMARK 500  9 MET A  42      -41.23    131.69                                   
REMARK 500  9 LYS A  43      104.14    177.98                                   
REMARK 500  9 ASN A  44       50.52   -166.97                                   
REMARK 500  9 CYS A  45      100.07      5.93                                   
REMARK 500  9 ASP A  47      101.61    -20.89                                   
REMARK 500  9 ILE A  48      176.61    -42.13                                   
REMARK 500  9 ASN A  65      109.13    -44.53                                   
REMARK 500  9 SER A  69     -169.00   -167.72                                   
REMARK 500  9 TYR A  70      139.76   -171.47                                   
REMARK 500  9 PRO A  76      -27.94    -35.36                                   
REMARK 500  9 HIS A  78     -126.47    -89.65                                   
REMARK 500  9 GLN A  79       58.08   -143.19                                   
REMARK 500  9 SER A  85       87.74     65.70                                   
REMARK 500  9 ALA A  86      102.11    154.36                                   
REMARK 500 10 ASP A   4      107.76   -177.34                                   
REMARK 500 10 ARG A  17      -44.34    172.58                                   
REMARK 500 10 ASP A  26     -162.92    168.96                                   
REMARK 500 10 GLU A  28     -150.97   -101.61                                   
REMARK 500 10 CYS A  31      177.65    -44.83                                   
REMARK 500 10 ASP A  32      -73.44    -93.87                                   
REMARK 500 10 GLU A  33      -74.28   -131.95                                   
REMARK 500 10 SER A  37       81.97    -45.49                                   
REMARK 500 10 MET A  40      -22.41    107.97                                   
REMARK 500 10 MET A  42      -75.05   -162.31                                   
REMARK 500 10 LYS A  43      -24.53    179.97                                   
REMARK 500 10 ASN A  44       90.00    -46.00                                   
REMARK 500 10 CYS A  45      103.56    -36.15                                   
REMARK 500 10 ASP A  47      118.22    -22.39                                   
REMARK 500 10 ILE A  48     -170.75    -58.47                                   
REMARK 500 10 SER A  69      158.75    172.90                                   
REMARK 500 10 PRO A  76      173.55    -39.94                                   
REMARK 500 10 HIS A  78     -126.02   -101.12                                   
REMARK 500 10 GLN A  79       64.64   -151.30                                   
REMARK 500 10 ASN A  83       -1.18     71.10                                   
REMARK 500 10 SER A  85       84.27     85.03                                   
REMARK 500 10 ALA A  86       96.77    151.34                                   
REMARK 500 11 ASP A   4       73.56     43.27                                   
REMARK 500 11 CYS A  15       36.84    -89.51                                   
REMARK 500 11 ARG A  17       13.15    116.53                                   
REMARK 500 11 ASP A  26     -169.47    165.31                                   
REMARK 500 11 GLU A  28     -155.07   -167.88                                   
REMARK 500 11 ASP A  32      -88.80    -68.39                                   
REMARK 500 11 GLU A  33      -80.75   -122.61                                   
REMARK 500 11 MET A  40      -38.75    155.47                                   
REMARK 500 11 MET A  42      -94.49   -163.09                                   
REMARK 500 11 LYS A  43       96.92   -168.47                                   
REMARK 500 11 ASP A  47      104.24    -15.77                                   
REMARK 500 11 ILE A  48      179.45    -45.04                                   
REMARK 500 11 CYS A  58       24.98     47.64                                   
REMARK 500 11 HIS A  64       67.88   -104.45                                   
REMARK 500 11 SER A  69     -168.99   -169.74                                   
REMARK 500 11 PRO A  76      -24.92    -39.86                                   
REMARK 500 11 HIS A  78     -121.08    -83.39                                   
REMARK 500 11 SER A  85       86.00     66.57                                   
REMARK 500 11 ALA A  86       98.77    147.64                                   
REMARK 500 12 ASP A   4       69.39     37.37                                   
REMARK 500 12 ASP A   6       90.72    -69.58                                   
REMARK 500 12 ARG A  17      -52.55    175.09                                   
REMARK 500 12 ASP A  26     -175.61    171.11                                   
REMARK 500 12 CYS A  31      165.02    -39.03                                   
REMARK 500 12 ASP A  32     -144.90    -77.15                                   
REMARK 500 12 GLU A  33      -93.41    -28.15                                   
REMARK 500 12 SER A  37      100.39    -42.31                                   
REMARK 500 12 PHE A  39      -22.16     87.39                                   
REMARK 500 12 MET A  42      -69.77    179.31                                   
REMARK 500 12 LYS A  43       34.77    173.31                                   
REMARK 500 12 ASN A  44     -177.03    -62.44                                   
REMARK 500 12 ASP A  47      125.89     -9.14                                   
REMARK 500 12 ILE A  48     -174.54    -64.94                                   
REMARK 500 12 ASP A  49       73.54   -100.44                                   
REMARK 500 12 CYS A  58       25.89     45.93                                   
REMARK 500 12 ARG A  59       70.54    -62.31                                   
REMARK 500 12 THR A  66     -161.08   -112.70                                   
REMARK 500 12 SER A  69     -176.07    157.61                                   
REMARK 500 12 PRO A  76     -154.27    -83.38                                   
REMARK 500 12 HIS A  78     -162.38    163.51                                   
REMARK 500 12 LEU A  80       91.60    -63.83                                   
REMARK 500 12 ASN A  83       34.26     75.97                                   
REMARK 500 12 SER A  85       69.27     88.74                                   
REMARK 500 12 ALA A  86      116.90    156.03                                   
REMARK 500 13 ASP A   4       63.79    -64.54                                   
REMARK 500 13 ARG A  17      -44.26   -173.57                                   
REMARK 500 13 PRO A  24      105.88    -55.59                                   
REMARK 500 13 ASP A  26     -168.17    175.57                                   
REMARK 500 13 LYS A  30       71.66   -113.36                                   
REMARK 500 13 CYS A  31     -175.10    -50.74                                   
REMARK 500 13 ASP A  32     -158.25   -140.62                                   
REMARK 500 13 GLU A  33      -82.89     19.88                                   
REMARK 500 13 MET A  40      -28.93    159.70                                   
REMARK 500 13 MET A  42      -19.98    124.26                                   
REMARK 500 13 LYS A  43      -80.09   -164.80                                   
REMARK 500 13 ASN A  44      102.52     21.94                                   
REMARK 500 13 CYS A  45       95.05    -39.21                                   
REMARK 500 13 ASP A  47      123.24     -5.51                                   
REMARK 500 13 ILE A  48     -171.46    -63.20                                   
REMARK 500 13 ARG A  59      -31.15    -39.42                                   
REMARK 500 13 THR A  66     -162.07   -119.43                                   
REMARK 500 13 SER A  69     -169.80    172.89                                   
REMARK 500 13 PRO A  76      172.94    -39.29                                   
REMARK 500 13 HIS A  78     -126.12    -99.48                                   
REMARK 500 13 GLN A  79       64.52   -151.67                                   
REMARK 500 13 ASN A  83       -0.61     71.83                                   
REMARK 500 13 SER A  85       81.95     85.98                                   
REMARK 500 13 ALA A  86      101.02    155.02                                   
REMARK 500 14 ASP A   6      -84.21    -42.39                                   
REMARK 500 14 GLU A   7      -52.79     95.37                                   
REMARK 500 14 ILE A  10      -36.57    -38.18                                   
REMARK 500 14 ARG A  17      -59.33    163.29                                   
REMARK 500 14 ASP A  26      177.91    171.41                                   
REMARK 500 14 LYS A  30       75.73   -112.76                                   
REMARK 500 14 CYS A  31      155.78    -45.87                                   
REMARK 500 14 ASP A  32      -81.56    -57.30                                   
REMARK 500 14 GLU A  33      -40.19   -145.11                                   
REMARK 500 14 MET A  40      -29.74    168.32                                   
REMARK 500 14 MET A  42      -15.08     99.17                                   
REMARK 500 14 LYS A  43       99.46    172.87                                   
REMARK 500 14 ASN A  44       72.53   -168.14                                   
REMARK 500 14 CYS A  45      108.88    -28.65                                   
REMARK 500 14 ASP A  47      106.79      0.08                                   
REMARK 500 14 ILE A  48     -175.92    -56.53                                   
REMARK 500 14 CYS A  58       16.79     58.00                                   
REMARK 500 14 HIS A  64       47.78    -89.03                                   
REMARK 500 14 THR A  66     -162.27   -115.39                                   
REMARK 500 14 SER A  69      168.83    168.58                                   
REMARK 500 14 PRO A  76     -156.78    -85.13                                   
REMARK 500 14 HIS A  78     -165.87    160.52                                   
REMARK 500 14 ASN A  83       13.81   -145.36                                   
REMARK 500 14 SER A  85      103.45     65.34                                   
REMARK 500 14 ALA A  86      106.77    127.55                                   
REMARK 500 15 ASP A   4       51.52   -178.70                                   
REMARK 500 15 ILE A  10      -37.49    -37.97                                   
REMARK 500 15 LEU A  14      -57.84    -29.68                                   
REMARK 500 15 PRO A  24      104.16    -53.00                                   
REMARK 500 15 ASP A  26     -168.68    178.62                                   
REMARK 500 15 PHE A  27      139.50   -173.61                                   
REMARK 500 15 GLU A  28     -148.75   -106.48                                   
REMARK 500 15 LYS A  30       67.30   -100.87                                   
REMARK 500 15 CYS A  31      171.31    -52.52                                   
REMARK 500 15 ASP A  32      -84.72    -68.58                                   
REMARK 500 15 GLU A  33      -65.95   -128.07                                   
REMARK 500 15 MET A  40      -36.05    160.89                                   
REMARK 500 15 MET A  42      -20.28    127.45                                   
REMARK 500 15 LYS A  43      -89.60   -148.75                                   
REMARK 500 15 ASN A  44       67.05     36.27                                   
REMARK 500 15 CYS A  45       96.12    -29.70                                   
REMARK 500 15 ASP A  47      138.92    -20.87                                   
REMARK 500 15 ASP A  49       72.98   -104.07                                   
REMARK 500 15 CYS A  58       26.10     46.80                                   
REMARK 500 15 HIS A  64       49.37    -89.99                                   
REMARK 500 15 GLU A  67      -98.09    -50.50                                   
REMARK 500 15 SER A  69     -173.83    156.80                                   
REMARK 500 15 PRO A  76      176.39    -41.00                                   
REMARK 500 15 HIS A  78     -126.97   -101.68                                   
REMARK 500 15 GLN A  79       64.80   -151.22                                   
REMARK 500 15 ASN A  83       28.52   -147.15                                   
REMARK 500 15 SER A  85       89.86     74.98                                   
REMARK 500 15 ALA A  86       99.12    151.87                                   
REMARK 500 16 ASP A   4       86.97   -165.80                                   
REMARK 500 16 GLU A   7      -56.90     73.60                                   
REMARK 500 16 ARG A  17      -55.74    172.81                                   
REMARK 500 16 ASP A  26     -163.81    170.01                                   
REMARK 500 16 GLU A  28     -168.12   -109.98                                   
REMARK 500 16 CYS A  31      170.32    -41.84                                   
REMARK 500 16 ASP A  32      -73.30    -80.83                                   
REMARK 500 16 GLU A  33      -85.01   -131.21                                   
REMARK 500 16 MET A  40      -34.47    156.14                                   
REMARK 500 16 MET A  42      -65.67    176.75                                   
REMARK 500 16 LYS A  43       23.57   -167.82                                   
REMARK 500 16 ASP A  47      115.65      2.57                                   
REMARK 500 16 ILE A  48     -173.07    -53.31                                   
REMARK 500 16 SER A  69     -166.01    179.30                                   
REMARK 500 16 TYR A  70      144.85   -173.63                                   
REMARK 500 16 PRO A  76      152.09    -28.39                                   
REMARK 500 16 HIS A  78     -131.93   -120.53                                   
REMARK 500 16 GLN A  79       72.42   -150.32                                   
REMARK 500 16 ASN A  83       33.54   -153.69                                   
REMARK 500 16 SER A  85       86.88     65.41                                   
REMARK 500 16 ALA A  86      104.23    150.73                                   
REMARK 500 17 ASP A   4       99.81    173.60                                   
REMARK 500 17 GLU A   7      -55.32     71.71                                   
REMARK 500 17 ARG A  17      -51.55    175.95                                   
REMARK 500 17 ASP A  26     -165.74    168.05                                   
REMARK 500 17 ASP A  32     -157.01    -89.89                                   
REMARK 500 17 GLU A  33      -77.12      9.42                                   
REMARK 500 17 SER A  37      100.06    -42.96                                   
REMARK 500 17 PHE A  39      -12.35     84.48                                   
REMARK 500 17 MET A  42       36.50    169.22                                   
REMARK 500 17 ASN A  44     -152.45    -77.21                                   
REMARK 500 17 ASP A  47      110.47    -12.57                                   
REMARK 500 17 ILE A  48     -173.61    -48.76                                   
REMARK 500 17 ASP A  49       72.92   -101.51                                   
REMARK 500 17 LEU A  57      134.74    -30.39                                   
REMARK 500 17 CYS A  58       36.13     38.49                                   
REMARK 500 17 THR A  66     -163.47   -116.08                                   
REMARK 500 17 SER A  69      177.13    166.55                                   
REMARK 500 17 PRO A  76      -32.87    -30.85                                   
REMARK 500 17 HIS A  78     -134.92   -103.03                                   
REMARK 500 17 PRO A  82     -115.55    -32.96                                   
REMARK 500 17 ASN A  83       39.74    -89.42                                   
REMARK 500 17 SER A  85       89.23     72.04                                   
REMARK 500 17 ALA A  86       74.55    157.37                                   
REMARK 500 17 CYS A  87      146.22    -35.89                                   
REMARK 500 18 ASP A   4       97.73     64.06                                   
REMARK 500 18 ARG A  17      -40.90   -142.34                                   
REMARK 500 18 ASP A  26      176.06    169.53                                   
REMARK 500 18 GLU A  28     -144.99   -114.46                                   
REMARK 500 18 CYS A  31      171.88    -42.09                                   
REMARK 500 18 ASP A  32      -92.96    -85.66                                   
REMARK 500 18 MET A  40      -24.27    160.74                                   
REMARK 500 18 MET A  42      -18.56    109.67                                   
REMARK 500 18 LYS A  43      104.58    163.25                                   
REMARK 500 18 ASN A  44       47.09   -170.01                                   
REMARK 500 18 CYS A  45      116.94     -1.60                                   
REMARK 500 18 ASP A  47      113.59    -20.93                                   
REMARK 500 18 ILE A  48     -173.93    -58.48                                   
REMARK 500 18 ASP A  49       72.25   -101.67                                   
REMARK 500 18 THR A  66     -162.96   -117.33                                   
REMARK 500 18 SER A  69     -172.11    159.39                                   
REMARK 500 18 PRO A  76      150.93    -28.08                                   
REMARK 500 18 HIS A  78     -131.09   -115.76                                   
REMARK 500 18 GLN A  79       71.39   -150.97                                   
REMARK 500 18 ASN A  83       33.29     73.68                                   
REMARK 500 18 SER A  85       72.18     77.40                                   
REMARK 500 18 ALA A  86       99.37    155.40                                   
REMARK 500 19 ASP A   4       91.26    161.29                                   
REMARK 500 19 GLU A   7      -55.46     72.45                                   
REMARK 500 19 ARG A  17      -33.22    176.82                                   
REMARK 500 19 PRO A  24      107.89    -49.77                                   
REMARK 500 19 ASP A  26     -165.94    171.99                                   
REMARK 500 19 CYS A  31      174.41    -44.09                                   
REMARK 500 19 ASP A  32      -95.12    -65.61                                   
REMARK 500 19 GLU A  33      -77.10   -114.21                                   
REMARK 500 19 MET A  40      -35.84    156.37                                   
REMARK 500 19 MET A  42      -87.09    179.67                                   
REMARK 500 19 LYS A  43       32.98   -161.20                                   
REMARK 500 19 ASP A  47      124.25     -6.09                                   
REMARK 500 19 CYS A  58       25.96     49.76                                   
REMARK 500 19 ARG A  59       61.73    -64.72                                   
REMARK 500 19 THR A  66     -161.76   -108.27                                   
REMARK 500 19 SER A  69     -176.90    158.14                                   
REMARK 500 19 PRO A  76      -29.50    -36.74                                   
REMARK 500 19 HIS A  78     -129.34    -89.74                                   
REMARK 500 19 ASN A  83       27.92   -143.98                                   
REMARK 500 19 SER A  85       91.19     67.93                                   
REMARK 500 19 ALA A  86       99.75    156.53                                   
REMARK 500 20 ASP A   4       79.82    -61.80                                   
REMARK 500 20 GLU A   7      -56.38     72.06                                   
REMARK 500 20 ARG A  17      -54.83    173.61                                   
REMARK 500 20 ASP A  26     -165.79    169.17                                   
REMARK 500 20 CYS A  31      152.57    -31.66                                   
REMARK 500 20 ASP A  32      -72.77    -61.03                                   
REMARK 500 20 GLU A  33      -34.65   -155.78                                   
REMARK 500 20 SER A  37      120.08     -8.10                                   
REMARK 500 20 MET A  42      -61.92    166.95                                   
REMARK 500 20 LYS A  43       65.35    172.47                                   
REMARK 500 20 CYS A  45      117.60    -10.61                                   
REMARK 500 20 ASP A  47      112.33      7.70                                   
REMARK 500 20 ILE A  48     -175.00    -48.59                                   
REMARK 500 20 ASP A  49       72.54   -102.32                                   
REMARK 500 20 CYS A  58       26.12     45.98                                   
REMARK 500 20 THR A  66     -163.68   -111.85                                   
REMARK 500 20 SER A  69      163.40    171.52                                   
REMARK 500 20 PRO A  76      -27.88    -36.33                                   
REMARK 500 20 HIS A  78     -128.21    -91.03                                   
REMARK 500 20 ASN A  83       24.46   -148.06                                   
REMARK 500 20 SER A  85       89.61     72.92                                   
REMARK 500 20 ALA A  86       98.85    156.80                                   
REMARK 500 21 ASP A   4       82.80    175.55                                   
REMARK 500 21 ARG A  17      -32.31    177.53                                   
REMARK 500 21 ASP A  26     -169.68    168.41                                   
REMARK 500 21 CYS A  31      170.72    -42.29                                   
REMARK 500 21 ASP A  32      -96.70    -63.87                                   
REMARK 500 21 GLU A  33      -74.55   -116.94                                   
REMARK 500 21 SER A  37       77.33    -59.64                                   
REMARK 500 21 PHE A  39      -14.53     97.66                                   
REMARK 500 21 MET A  40      -24.00    156.12                                   
REMARK 500 21 MET A  42      -59.07    155.02                                   
REMARK 500 21 LYS A  43      105.07    179.35                                   
REMARK 500 21 ASN A  44       27.75   -161.21                                   
REMARK 500 21 CYS A  45      106.00     42.72                                   
REMARK 500 21 ASP A  47      117.32      0.27                                   
REMARK 500 21 ILE A  48     -173.29    -65.64                                   
REMARK 500 21 CYS A  58       26.62     45.02                                   
REMARK 500 21 ARG A  59       62.88    -64.89                                   
REMARK 500 21 THR A  66     -161.63   -114.26                                   
REMARK 500 21 SER A  69      177.86    171.68                                   
REMARK 500 21 PRO A  76      -30.32    -36.26                                   
REMARK 500 21 HIS A  78     -127.62    -88.70                                   
REMARK 500 21 ASN A  83       25.57   -145.51                                   
REMARK 500 21 SER A  85       90.42     73.79                                   
REMARK 500 21 ALA A  86      101.46    156.25                                   
REMARK 500 22 ASP A   4      105.75     61.89                                   
REMARK 500 22 GLU A   7      -53.05     67.43                                   
REMARK 500 22 ARG A  17      -60.16    157.33                                   
REMARK 500 22 ASP A  26     -164.07    168.81                                   
REMARK 500 22 GLU A  28     -167.64   -111.45                                   
REMARK 500 22 CYS A  31      169.10    -42.41                                   
REMARK 500 22 ASP A  32      -93.43    -64.82                                   
REMARK 500 22 MET A  40      -32.90    158.93                                   
REMARK 500 22 MET A  42      -59.43    156.27                                   
REMARK 500 22 LYS A  43       22.63   -158.13                                   
REMARK 500 22 ASN A  44       76.02    -63.62                                   
REMARK 500 22 CYS A  45      100.45    -37.48                                   
REMARK 500 22 ASP A  47      100.23    -21.20                                   
REMARK 500 22 ILE A  48     -176.46    -47.55                                   
REMARK 500 22 CYS A  58       18.59     56.30                                   
REMARK 500 22 THR A  66     -161.61   -111.38                                   
REMARK 500 22 SER A  69      174.05    168.11                                   
REMARK 500 22 PRO A  76     -155.87    -85.37                                   
REMARK 500 22 HIS A  78     -168.87    168.43                                   
REMARK 500 22 ASN A  83       19.42   -154.30                                   
REMARK 500 22 SER A  85       90.82     63.94                                   
REMARK 500 22 ALA A  86      112.85    137.38                                   
REMARK 500 23 ASP A   4       88.64    168.01                                   
REMARK 500 23 GLU A   7      -56.01     71.73                                   
REMARK 500 23 ARG A  17      -45.66    173.24                                   
REMARK 500 23 PRO A  24      109.25    -50.83                                   
REMARK 500 23 ASP A  26     -163.62    172.65                                   
REMARK 500 23 LYS A  30       64.22   -109.55                                   
REMARK 500 23 ASP A  32      -90.72    -37.69                                   
REMARK 500 23 GLU A  33      -37.31   -140.03                                   
REMARK 500 23 MET A  40      -31.00    158.80                                   
REMARK 500 23 MET A  42      -56.96    159.13                                   
REMARK 500 23 LYS A  43       21.95   -160.68                                   
REMARK 500 23 ASP A  47      105.90     -1.21                                   
REMARK 500 23 ASN A  65      108.26    -48.64                                   
REMARK 500 23 THR A  66     -161.51   -105.87                                   
REMARK 500 23 SER A  69     -171.90    156.52                                   
REMARK 500 23 PRO A  76      171.69    -41.70                                   
REMARK 500 23 HIS A  78     -159.91   -153.83                                   
REMARK 500 23 SER A  85      100.81     82.34                                   
REMARK 500 23 ALA A  86      133.99    129.33                                   
REMARK 500 24 ASP A   4       96.63    179.17                                   
REMARK 500 24 GLU A   7      -53.32     69.69                                   
REMARK 500 24 ARG A  17      -39.24    153.65                                   
REMARK 500 24 ASP A  26     -172.56    172.01                                   
REMARK 500 24 LYS A  30       69.73   -110.83                                   
REMARK 500 24 CYS A  31      144.54    -33.00                                   
REMARK 500 24 ASP A  32      -71.60    -51.59                                   
REMARK 500 24 GLU A  33      -62.26   -153.51                                   
REMARK 500 24 MET A  40      -30.22    155.75                                   
REMARK 500 24 MET A  42      -40.64    171.37                                   
REMARK 500 24 LYS A  43       87.36    156.96                                   
REMARK 500 24 CYS A  45      103.10    -36.20                                   
REMARK 500 24 ASP A  47      101.94    -18.29                                   
REMARK 500 24 ILE A  48     -173.71    -49.67                                   
REMARK 500 24 ASP A  49       72.45   -101.05                                   
REMARK 500 24 CYS A  58       23.95     49.28                                   
REMARK 500 24 SER A  69      177.76    158.40                                   
REMARK 500 24 PRO A  76      -29.46    -36.61                                   
REMARK 500 24 HIS A  78     -127.50    -88.45                                   
REMARK 500 24 ASN A  83       26.25   -148.75                                   
REMARK 500 24 SER A  85       90.37     73.60                                   
REMARK 500 24 ALA A  86      100.70    156.20                                   
REMARK 500 25 ASP A   4       71.32    178.08                                   
REMARK 500 25 ASP A   6       74.35    -62.39                                   
REMARK 500 25 ARG A  17      -31.72    177.35                                   
REMARK 500 25 ASP A  26     -174.09    171.58                                   
REMARK 500 25 CYS A  31     -174.72    -48.68                                   
REMARK 500 25 ASP A  32     -144.26   -104.33                                   
REMARK 500 25 GLU A  33      -95.48    -29.61                                   
REMARK 500 25 MET A  40      -23.73    158.98                                   
REMARK 500 25 MET A  42      -13.88    100.51                                   
REMARK 500 25 LYS A  43      100.24    168.35                                   
REMARK 500 25 ASN A  44       34.50   -166.72                                   
REMARK 500 25 CYS A  45       98.30     34.66                                   
REMARK 500 25 ASP A  47      123.56     -6.24                                   
REMARK 500 25 ILE A  48     -173.68    -66.84                                   
REMARK 500 25 LEU A  56       11.02   -144.01                                   
REMARK 500 25 ARG A  59      -29.01    -39.52                                   
REMARK 500 25 HIS A  64       48.84    -88.98                                   
REMARK 500 25 SER A  69      156.85    171.78                                   
REMARK 500 25 PRO A  76      173.83    -40.92                                   
REMARK 500 25 HIS A  78     -125.92   -101.08                                   
REMARK 500 25 GLN A  79       65.85   -151.05                                   
REMARK 500 25 SER A  85       89.12     66.35                                   
REMARK 500 25 ALA A  86       93.48    155.18                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620  (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;              
REMARK 620  SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                            
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                           1  CA A 101  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GLU A   7   OE2                                                    
REMARK 620 2 THR A  23   O   101.2                                              
REMARK 620 3 ASP A  26   O    70.8  44.4                                        
REMARK 620 4 ASP A   4   OD1 139.8  78.0 122.2                                  
REMARK 620 5 ASN A  22   OD1 139.5 115.1 124.6  68.8                            
REMARK 620 6 GLU A   7   OE1  51.4 104.5  60.3 168.4 100.2                      
REMARK 620 7 ASN A  22   ND2  91.9 137.9 106.7 115.8  49.1  54.8                
REMARK 620 8 THR A  23   N   119.7  55.9  54.2  93.6  72.0  79.0  82.8          
REMARK 620 9 ILE A   5   O    54.9 155.3 120.3 115.3  89.5  66.9  57.4 137.6    
REMARK 620 N                    1     2     3     4     5     6     7     8     
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                           1  CA A 102  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GLU A  50   OE1                                                    
REMARK 620 2 GLU A  50   OE2  51.5                                              
REMARK 620 3 ASP A  47   OD2 138.4 154.8                                        
REMARK 620 4 ASN A  65   OD1  83.0 133.8  66.0                                  
REMARK 620 5 ASN A  65   ND2  69.5 100.0 105.2  49.2                            
REMARK 620 6 THR A  66   O    89.2 112.2  54.9  69.2 115.8                      
REMARK 620 7 ILE A  48   O   103.0  86.2 108.2  98.3  57.9 161.6                
REMARK 620 N                    1     2     3     4     5     6                 
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 101                  
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 102                  
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1EMO   RELATED DB: PDB                                   
REMARK 900 FIBRILLIN-1 CBEGF32-33                                               
REMARK 900 RELATED ID: 1HJ7   RELATED DB: PDB                                   
REMARK 900 LDL RECEPTOR CBEGF AB                                                
DBREF  1LMJ A    3    88  UNP    P35555   FBN1_HUMAN    1200   1285             
SEQRES   1 A   86  THR ASP ILE ASP GLU CYS ARG ILE SER PRO ASP LEU CYS          
SEQRES   2 A   86  GLY ARG GLY GLN CYS VAL ASN THR PRO GLY ASP PHE GLU          
SEQRES   3 A   86  CYS LYS CYS ASP GLU GLY TYR GLU SER GLY PHE MET MET          
SEQRES   4 A   86  MET LYS ASN CYS MET ASP ILE ASP GLU CYS GLN ARG ASP          
SEQRES   5 A   86  PRO LEU LEU CYS ARG GLY GLY VAL CYS HIS ASN THR GLU          
SEQRES   6 A   86  GLY SER TYR ARG CYS GLU CYS PRO PRO GLY HIS GLN LEU          
SEQRES   7 A   86  SER PRO ASN ILE SER ALA CYS ILE                              
HET     CA  A 101       1                                                       
HET     CA  A 102       1                                                       
HETNAM      CA CALCIUM ION                                                      
FORMUL   2   CA    2(CA 2+)                                                     
HELIX    1   1 ASP A   49  ASP A   54  1                                   6    
SHEET    1   A 2 CYS A  20  THR A  23  0                                        
SHEET    2   A 2 ASP A  26  CYS A  29 -1  O  GLU A  28   N  VAL A  21           
SHEET    1   B 2 TYR A  35  SER A  37  0                                        
SHEET    2   B 2 CYS A  45  ASP A  47 -1  O  MET A  46   N  GLU A  36           
SHEET    1   C 2 VAL A  62  THR A  66  0                                        
SHEET    2   C 2 SER A  69  GLU A  73 -1  O  ARG A  71   N  HIS A  64           
SSBOND   1 CYS A    8    CYS A   20                          1555   1555  2.03  
SSBOND   2 CYS A   15    CYS A   29                          1555   1555  2.03  
SSBOND   3 CYS A   31    CYS A   45                          1555   1555  2.04  
SSBOND   4 CYS A   51    CYS A   63                          1555   1555  2.03  
SSBOND   5 CYS A   58    CYS A   72                          1555   1555  2.03  
SSBOND   6 CYS A   74    CYS A   87                          1555   1555  2.03  
LINK        CA    CA A 101                 OE2 GLU A   7     1555   1555  2.61  
LINK        CA    CA A 101                 O   THR A  23     1555   1555  2.45  
LINK        CA    CA A 101                 O   ASP A  26     1555   1555  3.34  
LINK        CA    CA A 101                 OD1 ASP A   4     1555   1555  2.58  
LINK        CA    CA A 101                 OD1 ASN A  22     1555   1555  2.60  
LINK        CA    CA A 101                 OE1 GLU A   7     1555   1555  2.45  
LINK        CA    CA A 101                 ND2 ASN A  22     1555   1555  2.79  
LINK        CA    CA A 101                 N   THR A  23     1555   1555  3.23  
LINK        CA    CA A 101                 O   ILE A   5     1555   1555  2.45  
LINK        CA    CA A 102                 OE1 GLU A  50     1555   1555  2.44  
LINK        CA    CA A 102                 OE2 GLU A  50     1555   1555  2.61  
LINK        CA    CA A 102                 OD2 ASP A  47     1555   1555  2.45  
LINK        CA    CA A 102                 OD1 ASN A  65     1555   1555  2.45  
LINK        CA    CA A 102                 ND2 ASN A  65     1555   1555  2.87  
LINK        CA    CA A 102                 O   THR A  66     1555   1555  2.61  
LINK        CA    CA A 102                 O   ILE A  48     1555   1555  2.44  
CISPEP   1 CYS A   74    PRO A   75          1         1.00                     
CISPEP   2 CYS A   74    PRO A   75          2         1.26                     
CISPEP   3 CYS A   74    PRO A   75          3         1.15                     
CISPEP   4 CYS A   74    PRO A   75          4         1.05                     
CISPEP   5 CYS A   74    PRO A   75          5         1.17                     
CISPEP   6 CYS A   74    PRO A   75          6         1.28                     
CISPEP   7 CYS A   74    PRO A   75          7         1.07                     
CISPEP   8 CYS A   74    PRO A   75          8         0.99                     
CISPEP   9 CYS A   74    PRO A   75          9         1.43                     
CISPEP  10 CYS A   74    PRO A   75         10         1.01                     
CISPEP  11 CYS A   74    PRO A   75         11         1.46                     
CISPEP  12 CYS A   74    PRO A   75         12         0.83                     
CISPEP  13 CYS A   74    PRO A   75         13         0.96                     
CISPEP  14 CYS A   74    PRO A   75         14         1.18                     
CISPEP  15 CYS A   74    PRO A   75         15         0.86                     
CISPEP  16 CYS A   74    PRO A   75         16         1.38                     
CISPEP  17 CYS A   74    PRO A   75         17         1.04                     
CISPEP  18 CYS A   74    PRO A   75         18         1.10                     
CISPEP  19 CYS A   74    PRO A   75         19         1.02                     
CISPEP  20 CYS A   74    PRO A   75         20         1.07                     
CISPEP  21 CYS A   74    PRO A   75         21         0.98                     
CISPEP  22 CYS A   74    PRO A   75         22         0.92                     
CISPEP  23 CYS A   74    PRO A   75         23         1.18                     
CISPEP  24 CYS A   74    PRO A   75         24         1.13                     
CISPEP  25 CYS A   74    PRO A   75         25         1.09                     
SITE     1 AC1  6 ASP A   4  ILE A   5  GLU A   7  ASN A  22                    
SITE     2 AC1  6 THR A  23  ASP A  26                                          
SITE     1 AC2  6 ASP A  47  ILE A  48  GLU A  50  ASN A  65                    
SITE     2 AC2  6 THR A  66  SER A  69                                          
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           1          
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      1.000000  0.000000  0.000000        0.00000                         
SCALE2      0.000000  1.000000  0.000000        0.00000                         
SCALE3      0.000000  0.000000  1.000000        0.00000                         
MODEL        1                                                                  
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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