*HEADER    ELECTRON TRANSPORT                      14-MAY-00   1F03              
*TITLE     SOLUTION STRUCTURE OF OXIDIZED BOVINE MICROSOMAL CYTOCHROME           
*TITLE    2 B5 MUTANT (E44A, E48A, E56A, D60A) AND ITS INTERACTION WITH          
*TITLE    3 CYTOCHROME C                                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOCHROME B5;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BOS TAURUS;                                     
*SOURCE   3 ORGANISM_COMMON: BOVINE;                                             
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: JM83;                                      
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PUC 19                                    
*KEYWDS    CYTOCHROME B5, PROTEIN RECOGNITION, SOLUTION STRUCTURE,               
*KEYWDS   2 PARAMAGNETIC NMR                                                     
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    Y.B.WU, J.LU, C.M.QIAN, W.X.TANG, E.C.LI, J.F.WANG,                   
*AUTHOR   2 Y.H.WANG, W.H.WANG, J.X.LU, Y.XIE, Z.X.HUANG                         
*REVDAT   1   21-JUN-00 1F03    0                                                



 63 HIS
         NE2   201 HEM  FE     2.10  
         HE1   201 HEM  QM3    5.50
 39 HIS
         NE2   201 HEM  FE     2.10 
         HD1    45 VAL  QG1    5.50
         HD1    46 LEU  QD2    5.50
 201 HEM
         FE    39  HEM  NE2    1.90
         FE    63  HEM  NE2    1.90
 4 VAL  
         HN    4   VAL   HA    4.30  
         HN    4   VAL   QG2   7.00  
         HA    4   VAL   HB    3.50  
         HA    4   VAL   QG1   3.90  
         HA    4   VAL   QG2   4.00  
         HA    5   LYS+  HN    2.50  
         HB    4   VAL   QG1   4.50  
         HB    4   VAL   QG2   4.40  
         HB    5   LYS+  HN    4.10  
         HB    6   TYR   CZ    6.60  
         QG1   5   LYS+  HN    4.70  
         QG1   6   TYR   CG    8.60  
         QG1   6   TYR   CZ    7.30  
         QG2   5   LYS+  HN    4.50  
         QG2   6   TYR   HN    7.00  
         QG2   6   TYR   HA    6.00  
         QG2   6   TYR   CG    7.60  
         QG2   6   TYR   CZ    6.70  
         QG2   77  GLY   HA1   6.00  
         QG2   78  GLU-  HN    5.20  
         QG2   78  GLU-  HA    7.00  
         QG2   78  GLU-  HB2   5.40  
  5 LYS+ 
         HN    5   LYS+  HA    3.10  
         HN    5   LYS+  QB    4.20  
         HN    5   LYS+  HG2   4.80  
         HN    5   LYS+  HG3   5.20  
         HN    77  GLY   HA2   4.30  
         HN    78  GLU-  HN    5.20  
         HA    5   LYS+  QB    4.20  
         HA    5   LYS+  HG2   4.40  
         HA    5   LYS+  HG3   3.60  
         HA    6   TYR   HN    2.50  
         HA    6   TYR   HA    5.00  
         HA    6   TYR   HB2   4.40  
         QB    5   LYS+  HG2   4.60  
         QB    5   LYS+  HG3   4.90  
         QB    5   LYS+  HD2   5.10  
         QB    5   LYS+  HD3   5.10  
         QB    6   TYR   HN    5.10  
         QB    7   TYR   CG    9.00  
         QB    7   TYR   CZ    7.50  
         HG2   5   LYS+  HD3   5.90  
         HG2   6   TYR   HN    4.60  
         HG2   7   TYR   CZ    6.80  
         HG3   5   LYS+  HD2   5.60  
         HG3   6   TYR   HN    4.20  
         HG3   7   TYR   CZ    6.70  
         HD2   7   TYR   CZ    7.80  
         HD3   7   TYR   CZ    8.00  
  6 TYR  
         HN    6   TYR   HA    3.70  
         HN    6   TYR   HB2   3.50  
         HN    6   TYR   HB3   3.60  
         HN    6   TYR   CG    6.30  
         HN    78  GLU-  HN    4.90  
         HA    6   TYR   HB2   3.10  
         HA    6   TYR   HB3   3.10  
         HA    6   TYR   CG    4.50  
         HA    6   TYR   CZ    6.20  
         HA    7   TYR   HN    2.70  
         HA    29  VAL   QG2   6.70  
         HA    77  GLY   HA1   6.00  
         HA    78  GLU-  HN    3.50  
         HA    78  GLU-  HB2   4.40  
         HA    78  GLU-  HB3   5.00  
         HA    80  HIS   HN    4.80  
         HA    80  HIS   HA    4.50  
         HA    80  HIS   HB2   5.20  
         HB2   6   TYR   CG    5.60  
         HB2   6   TYR   CZ    8.00  
         HB2   7   TYR   HN    3.70  
         HB2   7   TYR   HA    5.10  
         HB2   80  HIS   HN    4.80  
         HB2   80  HIS   HA    3.90  
         HB2   80  HIS   HD2   3.70  
         HB3   6   TYR   CG    5.90  
         HB3   6   TYR   CZ    8.00  
         HB3   7   TYR   HN    3.30  
         HB3   80  HIS   HN    3.50  
         HB3   80  HIS   HA    4.70  
         HB3   80  HIS   HD2   3.60  
         CG    6   TYR   CZ    7.40  
         CG    78  GLU-  HN    6.30  
         CG    78  GLU-  HB2   5.70  
         CG    78  GLU-  HB3   5.80  
         CG    80  HIS   HN    7.00  
         CG    80  HIS   HA    6.20  
         CG    80  HIS   HB2   6.90  
         CG    81  PRO   QG    7.00  
         CZ    78  GLU-  HB2   5.60  
         CZ    78  GLU-  HB3   6.00  
         CZ    78  GLU-  QG    8.30  
         CZ    81  PRO   QG    7.30  
  7 TYR  
         HN    7   TYR   HA    3.50  
         HN    7   TYR   HB2   3.80  
         HN    7   TYR   HB3   3.30  
         HN    7   TYR   CG    6.10  
         HN    8   THR   HN    4.40  
         HN    8   THR   QG2   6.90  
         HN    29  VAL   QG1   6.20  
         HN    29  VAL   QG2   5.30  
         HN    78  GLU-  HN    4.10  
         HN    78  GLU-  HB2   6.00  
         HN    79  LEU   HA    4.00  
         HN    80  HIS   HN    4.00  
         HN    80  HIS   HB2   4.30  
         HN    80  HIS   HB3   5.30  
         HA    7   TYR   HB2   2.90  
         HA    7   TYR   HB3   3.30  
         HA    7   TYR   CG    4.70  
         HA    7   TYR   CZ    6.40  
         HA    8   THR   HN    2.60  
         HA    8   THR   QG2   4.60  
         HA    11  GLU-  HB3   3.90  
         HA    29  VAL   QG2   6.20  
         HB2   7   TYR   CG    5.70  
         HB2   7   TYR   CZ    8.00  
         HB2   8   THR   HN    4.30  
         HB2   12  ILE   HN    4.60  
         HB2   12  ILE   QG2   4.80  
         HB2   22  TRP   HZ3   4.20  
         HB2   29  VAL   QG1   7.00  
         HB2   29  VAL   QG2   5.00  
         HB3   7   TYR   CG    5.50  
         HB3   7   TYR   CZ    7.40  
         HB3   8   THR   HN    3.80  
         HB3   12  ILE   HN    3.60  
         HB3   12  ILE   QG2   6.40  
         HB3   22  TRP   HZ3   4.40  
         HB3   22  TRP   HH2   5.90  
         HB3   29  VAL   QG1   7.00  
         HB3   29  VAL   QG2   5.10  
         CG    7   TYR   CZ    7.40  
         CG    8   THR   HN    6.50  
         CG    11  GLU-  HB3   6.10  
         CG    11  GLU-  QG    7.60  
         CG    12  ILE   QG2   6.90  
         CG    22  TRP   HZ3   5.90  
         CG    22  TRP   HH2   6.60  
         CG    29  VAL   HB    6.50  
         CG    29  VAL   QG1   7.10  
         CG    29  VAL   QG2   6.50  
         CG    76  ILE   HG12  7.40  
         CG    76  ILE   HG13  8.00  
         CG    76  ILE   QD1   7.80  
         CG    77  GLY   HA1   7.20  
         CG    77  GLY   HA2   6.80  
         CG    78  GLU-  HN    6.80  
         CZ    8   THR   HN    8.00  
         CZ    11  GLU-  HB3   8.00  
         CZ    11  GLU-  QG    9.00  
         CZ    22  TRP   HZ3   7.10  
         CZ    22  TRP   HH2   5.90  
         CZ    29  VAL   QG1   7.60  
         CZ    29  VAL   QG2   8.10  
         CZ    76  ILE   HN    8.00  
         CZ    76  ILE   HB    6.70  
         CZ    76  ILE   QG2   7.70  
         CZ    76  ILE   HG12  6.70  
         CZ    76  ILE   HG13  6.50  
         CZ    76  ILE   QD1   6.60  
         CZ    77  GLY   HN    8.00  
         CZ    77  GLY   HA1   6.00  
         CZ    77  GLY   HA2   6.90  
         CZ    78  GLU-  HN    6.90  
  8 THR  
         HN    8   THR   HA    3.70  
         HN    8   THR   QG2   3.70  
         HN    9   LEU   HN    4.90  
         HN    11  GLU-  HN    4.70  
         HN    11  GLU-  HB3   3.50  
         HN    11  GLU-  QG    6.10  
         HN    79  LEU   QD1   7.00  
         HN    80  HIS   HB2   5.10  
         HN    80  HIS   HB3   5.40  
         HA    8   THR   QG2   3.80  
         HA    9   LEU   HN    2.90  
         HA    9   LEU   HA    5.00  
         HA    79  LEU   QD1   5.50  
         HA    80  HIS   HN    4.20  
         HA    80  HIS   HB2   3.90  
         HA    80  HIS   HB3   4.00  
         HB    8   THR   QG2   3.90  
         HB    9   LEU   HN    4.40  
         QG2   9   LEU   HN    5.00  
         QG2   10  GLU-  HN    5.60  
         QG2   11  GLU-  HN    6.70  
         QG2   80  HIS   HN    5.50  
         QG2   80  HIS   HB2   5.50  
         QG2   80  HIS   HB3   5.60  
         QG2   80  HIS   HD2   4.60  
  9 LEU  
         HN    9   LEU   HA    3.30  
         HN    9   LEU   HB2   3.00  
         HN    9   LEU   HB3   3.10  
         HN    9   LEU   HG    5.10  
         HN    9   LEU   QD1   5.10  
         HN    9   LEU   QD2   5.50  
         HN    10  GLU-  HN    3.20  
         HN    10  GLU-  HB2   5.00  
         HN    10  GLU-  HB3   5.50  
         HN    11  GLU-  HN    5.60  
         HN    79  LEU   QD1   4.40  
         HN    80  HIS   HN    5.10  
         HN    80  HIS   HB2   5.00  
         HN    80  HIS   HB3   5.80  
         HN    83  ASP-  HB2   4.50  
         HN    83  ASP-  HB3   4.60  
         HA    9   LEU   HB2   3.40  
         HA    9   LEU   HB3   2.70  
         HA    9   LEU   HG    3.60  
         HA    9   LEU   QD1   4.20  
         HA    9   LEU   QD2   5.50  
         HA    10  GLU-  HN    4.20  
         HA    12  ILE   HN    3.70  
         HA    12  ILE   HB    3.20  
         HA    12  ILE   QG2   5.60  
         HA    13  GLN   HN    4.20  
         HA    79  LEU   QD1   4.70  
         HB2   9   LEU   QD1   4.40  
         HB2   9   LEU   QD2   4.00  
         HB2   10  GLU-  HN    3.20  
         HB2   79  LEU   QD1   4.40  
         HB2   83  ASP-  HB2   4.90  
         HB3   9   LEU   QD1   4.40  
         HB3   9   LEU   QD2   3.70  
         HB3   10  GLU-  HN    3.30  
         HB3   79  LEU   QD1   5.80  
         HB3   83  ASP-  HB2   3.90  
         HG    9   LEU   QD1   3.60  
         HG    9   LEU   QD2   3.50  
         HG    10  GLU-  HN    5.40  
         HG    13  GLN   QG    5.70  
         HG    79  LEU   QD1   4.10  
         QD2   10  GLU-  HN    4.90  
 10 GLU- 
         HN    10  GLU-  HA    2.90  
         HN    10  GLU-  HB2   3.00  
         HN    10  GLU-  HB3   3.10  
         HN    10  GLU-  HG2   4.90  
         HN    10  GLU-  HG3   4.70  
         HN    11  GLU-  HN    3.30  
         HN    12  ILE   HN    4.30  
         HA    10  GLU-  HB2   2.80  
         HA    10  GLU-  HB3   3.00  
         HA    10  GLU-  HG2   4.40  
         HA    10  GLU-  HG3   3.30  
         HA    11  GLU-  HN    3.60  
         HA    13  GLN   HN    3.70  
         HA    13  GLN   QG    5.30  
         HB2   10  GLU-  HG2   3.00  
         HB2   10  GLU-  HG3   4.00  
         HB2   11  GLU-  HN    3.50  
         HB3   10  GLU-  HG2   3.20  
         HB3   10  GLU-  HG3   3.90  
         HB3   11  GLU-  HN    3.10  
         HG2   11  GLU-  HN    4.80  
         HG2   11  GLU-  HA    5.20  
         HG3   11  GLU-  HN    3.70  
 11 GLU- 
         HN    11  GLU-  HA    3.10  
         HN    11  GLU-  HB2   3.40  
         HN    11  GLU-  HB3   3.30  
         HN    11  GLU-  QG    5.80  
         HN    12  ILE   HN    3.00  
         HN    12  ILE   HB    5.60  
         HN    13  GLN   HN    5.20  
         HA    11  GLU-  HB2   3.00  
         HA    11  GLU-  HB3   3.00  
         HA    11  GLU-  QG    6.40  
         HA    12  ILE   HN    3.90  
         HA    13  GLN   HN    4.70  
         HA    14  LYS+  HN    4.20  
         HA    14  LYS+  HB3   4.00  
         HA    14  LYS+  QG    5.10  
         HA    14  LYS+  QE    5.70  
         HB2   11  GLU-  QG    4.20  
         HB2   12  ILE   HN    3.40  
         HB2   22  TRP   HZ3   5.50  
         HB3   11  GLU-  QG    3.70  
         HB3   12  ILE   HN    3.40  
         HB3   12  ILE   HA    3.90  
         HB3   22  TRP   HE3   4.80  
         HB3   22  TRP   HZ3   4.60  
         QG    12  ILE   HN    5.60  
         QG    22  TRP   HZ3   5.70  
         QG    22  TRP   HH2   6.60  
 12 ILE  
         HN    12  ILE   HA    3.20  
         HN    12  ILE   HB    2.80  
         HN    12  ILE   QG2   5.00  
         HN    13  GLN   HN    2.90  
         HN    13  GLN   QG    6.70  
         HN    14  LYS+  HN    6.00  
         HN    22  TRP   HE3   5.00  
         HN    22  TRP   HZ3   5.00  
         HA    12  ILE   HB    3.10  
         HA    12  ILE   QG2   3.50  
         HA    13  GLN   HN    3.70  
         HA    14  LYS+  HN    4.80  
         HA    15  HIS   HN    4.00  
         HA    15  HIS   HB2   4.70  
         HA    15  HIS   HB3   5.40  
         HA    15  HIS   HD2   4.00  
         HA    22  TRP   HE3   2.90  
         HA    22  TRP   HZ3   3.80  
         HA    29  VAL   QG1   7.00  
         HB    12  ILE   QG2   3.50  
         HB    13  GLN   HN    3.20  
         HB    13  GLN   QG    5.30  
         QG2   13  GLN   HN    4.70  
         QG2   13  GLN   QG    8.00  
         QG2   14  LYS+  HN    7.00  
         QG2   22  TRP   HN    6.60  
         QG2   22  TRP   HA    5.70  
         QG2   22  TRP   HB2   5.70  
         QG2   22  TRP   HB3   4.70  
         QG2   22  TRP   HE3   3.80  
         QG2   22  TRP   HZ3   6.70  
         QG2   23  LEU   HN    4.60  
         QG2   24  ILE   HG13  3.70  
         QG2   29  VAL   HA    5.10  
         QG2   29  VAL   QG1   5.40  
         QG2   29  VAL   QG2   5.50  
         QG2   51  GLY   HN    4.80  
         QG2   51  GLY   HA1   4.30  
         QG2   51  GLY   HA2   5.60  
         QG2   52  GLY   HN    5.90  
         QG2   52  GLY   HA2   5.90  
 13 GLN  
         HN    13  GLN   HA    3.10  
         HN    13  GLN   HB2   2.90  
         HN    13  GLN   HB3   3.40  
         HN    13  GLN   QG    4.40  
         HN    14  LYS+  HN    3.40  
         HN    14  LYS+  QG    5.70  
         HN    15  HIS   HN    5.40  
         HA    13  GLN   HB2   3.20  
         HA    13  GLN   HB3   2.90  
         HA    13  GLN   QG    4.10  
         HA    14  LYS+  HN    4.20  
         HA    15  HIS   HN    3.90  
         HA    51  GLY   HN    5.10  
         HA    51  GLY   HA1   3.40  
         HA    51  GLY   HA2   4.00  
         HB2   13  GLN   QG    4.30  
         HB2   14  LYS+  HN    3.80  
         HB3   13  GLN   QG    4.30  
         HB3   14  LYS+  HN    3.80  
         HB3   14  LYS+  HA    4.80  
         HB3   14  LYS+  QG    4.90  
         QG    14  LYS+  HN    6.50  
         QG    51  GLY   HA1   6.20  
         QG    51  GLY   HA2   5.80  
 14 LYS+ 
         HN    14  LYS+  HA    3.10  
         HN    14  LYS+  HB2   2.90  
         HN    14  LYS+  HB3   3.60  
         HN    14  LYS+  QG    4.20  
         HN    14  LYS+  QE    6.90  
         HN    15  HIS   HN    2.80  
         HA    14  LYS+  HB2   2.90  
         HA    14  LYS+  HB3   3.10  
         HA    14  LYS+  QG    3.80  
         HA    15  HIS   HN    3.50  
         HB2   14  LYS+  QG    3.60  
         HB2   14  LYS+  QE    6.50  
         HB2   15  HIS   HN    3.90  
         HB3   14  LYS+  QG    4.10  
         HB3   14  LYS+  QE    5.00  
         HB3   15  HIS   HN    4.40  
         QG    14  LYS+  QE    5.60  
         QG    15  HIS   HN    5.10  
 15 HIS  
         HN    15  HIS   HA    3.40  
         HN    15  HIS   HB2   3.20  
         HN    15  HIS   HB3   4.00  
         HN    15  HIS   HD2   3.60  
         HN    16  ASN   HN    4.20  
         HN    16  ASN   HD22  5.20  
         HN    22  TRP   HN    5.60  
         HA    15  HIS   HB2   3.30  
         HA    15  HIS   HB3   3.00  
         HA    15  HIS   HD2   3.70  
         HA    15  HIS   HE1   6.00  
         HA    16  ASN   HN    3.10  
         HA    22  TRP   HN    5.90  
         HB2   15  HIS   HD2   4.20  
         HB2   22  TRP   HN    4.30  
         HB2   22  TRP   HB2   4.50  
         HB2   22  TRP   HB3   4.70  
         HB2   22  TRP   HD1   4.40  
         HB2   22  TRP   HE3   6.00  
         HB3   15  HIS   HD2   4.10  
         HB3   15  HIS   HE1   5.40  
         HB3   16  ASN   HN    4.30  
         HB3   21  THR   HA    5.50  
         HB3   22  TRP   HN    4.20  
         HB3   22  TRP   HB2   4.50  
         HD2   15  HIS   HE1   4.50  
         HD2   22  TRP   HE3   5.10  
         HE1   22  TRP   HZ2   4.10  
         HE1   22  TRP   HH2   6.00  
 16 ASN  
         HN    16  ASN   HB2   4.60  
         HN    16  ASN   HB3   4.00  
         HN    17  ASN   HN    3.00  
         HN    17  ASN   HA    5.50  
         HA    50  ALA   QB    5.50  
         HA    51  GLY   HN    5.40  
         HB2   16  ASN   HD21  4.20  
         HB2   16  ASN   HD22  4.50  
         HB2   50  ALA   QB    5.20  
         HB2   51  GLY   HA1   5.60  
         HB2   51  GLY   HA2   5.10  
         HB3   16  ASN   HD21  4.10  
         HB3   16  ASN   HD22  4.50  
         HB3   50  ALA   QB    4.60  
         HB3   51  GLY   HA1   5.60  
         HB3   51  GLY   HA2   5.10  
 17 ASN  
         HN    17  ASN   HA    3.50  
         HN    17  ASN   HB2   5.20  
         HN    17  ASN   HB3   3.60  
         HN    20  SER   HN    5.70  
         HN    21  THR   HA    5.80  
         HN    21  THR   QG2   7.00  
         HA    17  ASN   HB2   3.00  
         HA    17  ASN   HB3   2.90  
         HB2   17  ASN   HD22  4.60  
         HB3   17  ASN   HD22  4.10  
 18 SER  
         HN    18  SER   HA    4.90  
         HN    18  SER   QB    4.80  
         HA    18  SER   QB    4.20  
 19 LYS+ 
         HN    19  LYS+  HA    3.20  
         HN    19  LYS+  HB2   3.70  
         HN    19  LYS+  HB3   3.40  
         HN    19  LYS+  HG2   4.70  
         HN    19  LYS+  HG3   4.70  
         HN    19  LYS+  QD    7.00  
         HN    20  SER   HN    3.20  
         HA    19  LYS+  HB2   3.20  
         HA    19  LYS+  HB3   3.20  
         HA    19  LYS+  HG2   3.80  
         HA    19  LYS+  HG3   3.20  
         HA    19  LYS+  QD    5.20  
         HA    20  SER   HN    4.30  
         HB2   19  LYS+  HG2   3.40  
         HB2   19  LYS+  HG3   3.10  
         HB2   19  LYS+  QD    4.80  
         HB2   20  SER   HN    4.00  
         HB3   19  LYS+  HG2   2.70  
         HB3   19  LYS+  QE    4.80  
         HB3   20  SER   HN    4.00  
         HG2   19  LYS+  QD    4.90  
         HG3   19  LYS+  QD    5.10  
         QD    19  LYS+  QE    6.80  
 20 SER  
         HN    20  SER   HA    5.00  
         HN    20  SER   HB2   3.70  
         HN    20  SER   HB3   3.80  
         HN    21  THR   HN    4.70  
         HN    33  THR   QG2   6.60  
         HA    20  SER   HB2   3.40  
         HA    20  SER   HB3   4.10  
         HA    21  THR   HN    3.00  
         HA    33  THR   HA    5.00  
         HA    33  THR   QG2   4.10  
         HB2   21  THR   HN    5.20  
         HB3   21  THR   HN    5.30  
 21 THR  
         HN    21  THR   HA    3.80  
         HN    21  THR   HB    3.20  
         HN    21  THR   QG2   4.60  
         HN    22  TRP   HN    4.30  
         HN    22  TRP   HD1   4.40  
         HN    33  THR   HN    5.00  
         HN    33  THR   HA    3.70  
         HN    33  THR   HB    5.70  
         HN    33  THR   QG2   4.30  
         HN    36  LEU   QD1   5.90  
         HN    36  LEU   QD2   6.20  
         HA    21  THR   HB    3.70  
         HA    21  THR   QG2   3.70  
         HA    22  TRP   HN    2.80  
         HA    22  TRP   HA    4.50  
         HA    50  ALA   QB    5.20  
         HB    21  THR   QG2   3.50  
         HB    22  TRP   HN    4.70  
         HB    32  LEU   HN    6.00  
         HB    32  LEU   HB3   5.60  
         HB    32  LEU   QD2   7.00  
         HB    33  THR   HN    5.10  
         HB    36  LEU   HG    4.60  
         HB    36  LEU   QD1   4.30  
         HB    36  LEU   QD2   4.40  
         HB    50  ALA   QB    4.90  
         QG2   22  TRP   HN    4.80  
         QG2   22  TRP   HA    5.70  
         QG2   23  LEU   QD2   6.20  
         QG2   32  LEU   HN    5.30  
         QG2   32  LEU   HB2   5.10  
         QG2   32  LEU   QD2   5.50  
         QG2   33  THR   HN    6.10  
         QG2   33  THR   HA    5.50  
         QG2   36  LEU   QD2   4.50  
         QG2   50  ALA   HA    4.50  
         QG2   50  ALA   QB    4.60  
         QG2   51  GLY   HN    5.50  
 22 TRP  
         HN    22  TRP   HA    3.60  
         HN    22  TRP   HB2   3.40  
         HN    22  TRP   HB3   3.60  
         HN    22  TRP   HD1   4.70  
         HN    22  TRP   HE3   5.70  
         HN    23  LEU   HN    6.00  
         HN    50  ALA   HA    4.80  
         HN    50  ALA   QB    5.20  
         HN    51  GLY   HN    4.80  
         HN    51  GLY   HA1   5.20  
         HA    22  TRP   HB2   3.30  
         HA    22  TRP   HB3   3.10  
         HA    22  TRP   HD1   3.70  
         HA    22  TRP   HE3   6.00  
         HA    22  TRP   HE1   4.90  
         HA    23  LEU   HN    2.60  
         HA    23  LEU   HB3   4.40  
         HA    23  LEU   QD1   6.40  
         HA    23  LEU   QD2   7.00  
         HA    29  VAL   QG1   5.30  
         HA    30  TYR   HN    5.20  
         HA    31  ASP-  HA    3.40  
         HA    31  ASP-  HB2   5.70  
         HA    32  LEU   HN    3.60  
         HA    32  LEU   HG    6.00  
         HA    32  LEU   QD1   6.80  
         HA    76  ILE   QD1   7.00  
         HB2   22  TRP   HE3   4.40  
         HB2   22  TRP   HZ3   6.00  
         HB2   23  LEU   HN    3.60  
         HB2   29  VAL   QG1   6.10  
         HB2   76  ILE   QD1   5.80  
         HB3   22  TRP   HD1   4.70  
         HB3   22  TRP   HE3   4.20  
         HB3   22  TRP   HZ3   5.60  
         HB3   23  LEU   HN    2.90  
         HB3   29  VAL   QG1   5.20  
         HB3   31  ASP-  HA    4.80  
         HB3   51  GLY   HN    5.00  
         HD1   22  TRP   HE3   4.40  
         HD1   22  TRP   HE1   2.90  
         HD1   23  LEU   HN    5.00  
         HD1   29  VAL   QG1   7.00  
         HD1   31  ASP-  HA    3.50  
         HD1   31  ASP-  HB2   4.00  
         HD1   31  ASP-  HB3   6.00  
         HD1   32  LEU   HN    4.30  
         HD1   76  ILE   QD1   5.80  
         HE3   22  TRP   HE1   5.90  
         HE3   22  TRP   HZ3   3.40  
         HE3   22  TRP   HH2   6.00  
         HE3   76  ILE   QD1   5.80  
         HE1   22  TRP   HZ2   3.50  
         HE1   22  TRP   HH2   5.50  
         HE1   31  ASP-  HA    4.40  
         HE1   31  ASP-  HB2   3.70  
         HE1   31  ASP-  HB3   4.40  
         HE1   76  ILE   QD1   4.40  
         HZ3   22  TRP   HZ2   4.10  
         HZ3   22  TRP   HH2   3.10  
         HZ3   29  VAL   QG1   5.10  
         HZ3   29  VAL   QG2   5.80  
         HZ3   76  ILE   QD1   5.30  
         HZ2   22  TRP   HH2   3.00  
         HZ2   76  ILE   QG2   7.00  
         HZ2   76  ILE   QD1   4.30  
         HH2   29  VAL   QG1   7.00  
         HH2   76  ILE   QG2   7.00  
         HH2   76  ILE   QD1   4.60  
 23 LEU  
         HN    23  LEU   HA    3.50  
         HN    23  LEU   HB2   4.20  
         HN    23  LEU   HB3   3.90  
         HN    23  LEU   HG    4.20  
         HN    23  LEU   QD1   4.40  
         HN    23  LEU   QD2   5.50  
         HN    24  ILE   HN    4.60  
         HN    24  ILE   HA    4.70  
         HN    29  VAL   HA    5.60  
         HN    29  VAL   QG1   5.10  
         HN    29  VAL   QG2   6.90  
         HN    30  TYR   HN    3.50  
         HN    30  TYR   CG    6.90  
         HN    31  ASP-  HA    4.90  
         HN    32  LEU   QD1   5.90  
         HA    23  LEU   HB2   3.10  
         HA    23  LEU   HB3   3.00  
         HA    23  LEU   HG    3.60  
         HA    23  LEU   QD1   5.40  
         HA    23  LEU   QD2   4.90  
         HA    24  ILE   HN    2.80  
         HA    51  GLY   HN    4.10  
         HA    52  GLY   HN    4.60  
         HB2   23  LEU   HG    3.40  
         HB2   23  LEU   QD1   5.00  
         HB2   23  LEU   QD2   4.50  
         HB2   24  ILE   HN    3.10  
         HB2   50  ALA   HA    4.30  
         HB2   51  GLY   HN    4.50  
         HB2   52  GLY   HN    5.00  
         HB2   54  ALA   QB    5.10  
         HB3   23  LEU   QD1   4.30  
         HB3   23  LEU   QD2   4.30  
         HB3   24  ILE   HN    3.60  
         HB3   50  ALA   HA    4.70  
         HB3   51  GLY   HN    4.70  
         HB3   52  GLY   HN    4.00  
         HG    23  LEU   QD1   3.60  
         HG    23  LEU   QD2   4.00  
         HG    50  ALA   HA    5.30  
         HG    51  GLY   HN    4.60  
         HG    54  ALA   QB    5.80  
         QD1   24  ILE   HN    5.20  
         QD1   24  ILE   HA    7.00  
         QD1   25  LEU   HB3   6.40  
         QD1   25  LEU   HG    4.80  
         QD1   25  LEU   QD1   5.80  
         QD1   25  LEU   QD2   5.70  
         QD1   30  TYR   HN    4.90  
         QD1   30  TYR   HB2   5.10  
         QD1   30  TYR   HB3   5.60  
         QD1   30  TYR   CG    7.10  
         QD1   30  TYR   CZ    9.00  
         QD1   46  LEU   HA    7.00  
         QD1   50  ALA   HA    5.60  
         QD1   51  GLY   HN    6.40  
         QD1   52  GLY   HN    6.40  
         QD1   54  ALA   HN    6.10  
         QD1   54  ALA   QB    5.00  
         QD1   201 HEM   QM3   4.30  
         QD2   24  ILE   HN    5.30  
         QD2   25  LEU   HG    7.00  
         QD2   25  LEU   QD1   6.00  
         QD2   25  LEU   QD2   8.00  
         QD2   30  TYR   HN    6.50  
         QD2   30  TYR   HB3   6.20  
         QD2   32  LEU   QD1   6.80  
         QD2   46  LEU   HA    5.70  
         QD2   49  GLN   HN    5.80  
         QD2   49  GLN   HA    7.00  
         QD2   49  GLN   HB2   7.00  
         QD2   49  GLN   HB3   5.10  
         QD2   49  GLN   HG3   6.50  
         QD2   50  ALA   HN    6.50  
         QD2   50  ALA   HA    4.80  
         QD2   50  ALA   QB    8.00  
         QD2   51  GLY   HN    5.30  
         QD2   54  ALA   HN    6.60  
         QD2   54  ALA   QB    5.10  
         QD2   201 HEM   QM3   3.50  
 24 ILE  
         HN    24  ILE   HA    4.10  
         HN    24  ILE   HB    3.30  
         HN    24  ILE   QG2   4.70  
         HN    24  ILE   HG12  4.40  
         HN    24  ILE   HG13  3.90  
         HN    25  LEU   HN    4.30  
         HN    25  LEU   QD1   6.20  
         HN    52  GLY   HN    4.70  
         HN    54  ALA   HN    4.60  
         HN    54  ALA   QB    5.30  
         HA    24  ILE   HB    4.00  
         HA    24  ILE   QG2   4.00  
         HA    24  ILE   HG12  4.00  
         HA    24  ILE   HG13  4.10  
         HA    25  LEU   HN    2.80  
         HA    25  LEU   QD1   7.00  
         HA    25  LEU   QD2   7.00  
         HA    29  VAL   HA    3.60  
         HA    29  VAL   QG1   6.50  
         HA    29  VAL   QG2   4.50  
         HA    30  TYR   HN    4.40  
         HA    30  TYR   CG    7.20  
         HA    30  TYR   CZ    7.60  
         HB    24  ILE   QG2   3.60  
         HB    24  ILE   HG12  3.60  
         HB    24  ILE   HG13  3.70  
         HB    25  LEU   HN    5.00  
         HB    53  ASP-  HN    4.90  
         HB    53  ASP-  HA    5.40  
         QG2   24  ILE   HG12  4.30  
         QG2   25  LEU   HN    4.00  
         QG2   25  LEU   HA    5.40  
         QG2   26  HIS   HN    5.10  
         QG2   26  HIS   HA    5.20  
         QG2   27  TYR   HN    3.90  
         QG2   27  TYR   HA    4.00  
         QG2   27  TYR   HB2   5.80  
         QG2   27  TYR   CG    7.20  
         QG2   28  LYS+  HN    4.20  
         QG2   29  VAL   HA    6.00  
         QG2   30  TYR   CG    8.80  
         QG2   30  TYR   CZ    9.00  
         QG2   79  LEU   HN    5.70  
         QG2   79  LEU   QD1   5.10  
         QG2   79  LEU   QD2   5.20  
         HG12  29  VAL   HN    4.50  
         HG12  29  VAL   QG1   4.80  
         HG12  79  LEU   QD1   3.50  
         HG13  25  LEU   HN    4.70  
         HG13  29  VAL   HA    6.00  
         HG13  29  VAL   QG1   5.00  
         HG13  54  ALA   HN    5.30  
         HG13  79  LEU   QD1   5.20  
         HG13  79  LEU   QD2   6.20  
 25 LEU  
         HN    25  LEU   HA    3.70  
         HN    25  LEU   HB2   3.40  
         HN    25  LEU   HB3   3.60  
         HN    25  LEU   HG    4.70  
         HN    25  LEU   QD1   5.20  
         HN    25  LEU   QD2   5.10  
         HN    26  HIS   HN    4.20  
         HN    27  TYR   HN    4.50  
         HN    28  LYS+  HN    3.80  
         HN    28  LYS+  QB    5.40  
         HN    29  VAL   HA    4.40  
         HN    30  TYR   HN    4.80  
         HN    30  TYR   CG    6.00  
         HN    30  TYR   CZ    5.80  
         HA    25  LEU   HB2   3.50  
         HA    25  LEU   HB3   3.40  
         HA    25  LEU   HG    3.90  
         HA    25  LEU   QD1   3.70  
         HA    25  LEU   QD2   4.90  
         HA    26  HIS   HN    2.90  
         HA    30  TYR   CZ    7.20  
         HA    54  ALA   HN    4.40  
         HA    55  THR   HN    4.60  
         HA    55  THR   HA    3.70  
         HA    55  THR   QG2   5.20  
         HB2   25  LEU   HG    4.00  
         HB2   25  LEU   QD1   4.70  
         HB2   25  LEU   QD2   4.00  
         HB2   26  HIS   HN    4.90  
         HB2   26  HIS   HD2   4.40  
         HB2   30  TYR   CG    6.20  
         HB2   30  TYR   CZ    5.50  
         HB2   55  THR   QG2   6.00  
         HB3   25  LEU   HG    3.20  
         HB3   25  LEU   QD1   3.50  
         HB3   25  LEU   QD2   4.20  
         HB3   26  HIS   HN    4.50  
         HB3   26  HIS   HD2   3.90  
         HB3   30  TYR   CG    6.60  
         HB3   30  TYR   CZ    5.70  
         HB3   55  THR   QG2   5.00  
         HG    25  LEU   QD1   3.50  
         HG    25  LEU   QD2   3.50  
         HG    26  HIS   HN    5.90  
         HG    30  TYR   CG    6.30  
         HG    30  TYR   CZ    6.20  
         HG    54  ALA   HN    6.00  
         QD1   26  HIS   HN    5.10  
         QD1   26  HIS   QB    8.00  
         QD1   26  HIS   HD2   6.20  
         QD1   30  TYR   CG    9.00  
         QD1   30  TYR   CZ    7.70  
         QD1   54  ALA   HN    4.60  
         QD1   54  ALA   HA    6.70  
         QD1   54  ALA   QB    4.90  
         QD1   55  THR   HN    5.80  
         QD1   55  THR   HA    3.90  
         QD1   55  THR   QG2   6.30  
         QD1   56  ALA   HN    7.00  
         QD1   57  ASN   HN    7.00  
         QD1   58  PHE   HN    4.90  
         QD1   59  GLU-  HN    6.00  
         QD1   201 HEM   QM3   4.10  
         QD2   26  HIS   HD2   6.00  
         QD2   30  TYR   CG    7.20  
         QD2   30  TYR   CZ    6.60  
         QD2   55  THR   HA    7.00  
         QD2   71  SER   QB    8.00  
         QD2   201 HEM   HV2A  3.80  
         QD2   201 HEM   HV2T  3.80  
         QD2   201 HEM   HV2C  3.70  
         QD2   201 HEM   QM3   4.20  
 26 HIS  
         HN    26  HIS   HA    2.70  
         HN    26  HIS   QB    4.40  
         HN    26  HIS   HD2   5.60  
         HN    27  TYR   HN    3.50  
         HN    28  LYS+  HN    4.90  
         HN    55  THR   HN    4.80  
         HN    55  THR   HA    3.90  
         HN    55  THR   HB    4.70  
         HN    55  THR   QG2   4.00  
         HA    26  HIS   QB    3.80  
         HA    26  HIS   HD2   4.30  
         HA    27  TYR   HN    2.80  
         HA    27  TYR   CG    5.40  
         HA    28  LYS+  HN    4.60  
         HA    55  THR   QG2   4.70  
         QB    26  HIS   HD2   5.10  
         QB    27  TYR   HN    4.70  
         QB    27  TYR   CG    9.00  
         QB    28  LYS+  HN    6.20  
         QB    55  THR   QG2   6.20  
         HD2   26  HIS   HE1   5.60  
         HD2   55  THR   QG2   5.10  
         HE1   55  THR   QG2   3.80  
 27 TYR  
         HN    27  TYR   HA    2.50  
         HN    27  TYR   HB2   3.80  
         HN    27  TYR   HB3   4.00  
         HN    27  TYR   CG    6.20  
         HN    28  LYS+  HN    3.30  
         HN    55  THR   QG2   6.70  
         HN    79  LEU   QD2   6.30  
         HA    27  TYR   HB2   3.10  
         HA    27  TYR   HB3   3.20  
         HA    27  TYR   CG    4.70  
         HA    27  TYR   CZ    6.60  
         HA    28  LYS+  HN    3.80  
         HA    79  LEU   HN    5.20  
         HA    79  LEU   QD1   6.20  
         HB2   27  TYR   CG    5.40  
         HB2   27  TYR   CZ    7.10  
         HB2   28  LYS+  HN    4.30  
         HB2   79  LEU   HN    5.40  
         HB2   79  LEU   QB    6.10  
         HB2   79  LEU   QD2   6.00  
         HB3   27  TYR   CG    5.80  
         HB3   27  TYR   CZ    7.90  
         HB3   28  LYS+  HN    4.60  
         HB3   79  LEU   HN    4.40  
         HB3   79  LEU   QB    5.60  
         HB3   79  LEU   QD1   5.80  
         HB3   79  LEU   QD2   5.70  
         CG    27  TYR   CZ    7.50  
         CG    28  LYS+  QB    9.00  
         CG    79  LEU   HN    8.00  
         CG    79  LEU   QB    8.30  
         CG    79  LEU   QD1   7.00  
         CG    79  LEU   QD2   5.90  
         CG    84  ARG+  HA    7.60  
         CG    84  ARG+  HB2   6.60  
         CG    84  ARG+  HB3   7.30  
         CZ    79  LEU   QD1   7.70  
         CZ    79  LEU   QD2   6.40  
         CZ    84  ARG+  HA    6.30  
         CZ    84  ARG+  HB2   6.30  
         CZ    84  ARG+  HB3   6.50  
 28 LYS+ 
         HN    28  LYS+  QB    4.10  
         HN    28  LYS+  HG2   5.60  
         HN    28  LYS+  HG3   3.90  
         HN    28  LYS+  HD2   5.20  
         HN    28  LYS+  HD3   6.00  
         HN    30  TYR   CG    7.60  
         HN    30  TYR   CZ    6.50  
         QB    28  LYS+  HG2   4.30  
         QB    28  LYS+  HG3   4.30  
         QB    28  LYS+  HD2   5.80  
         QB    28  LYS+  HD3   4.40  
         QB    29  VAL   HN    4.60  
         QB    30  TYR   CZ    7.10  
         QB    78  GLU-  HA    5.40  
         HG2   28  LYS+  HD2   3.60  
         HG2   28  LYS+  HD3   3.00  
         HG2   78  GLU-  HA    4.30  
         HG2   78  GLU-  QG    6.10  
         HG3   28  LYS+  HD3   2.80  
         HG3   30  TYR   CZ    7.70  
         HD2   30  TYR   CZ    7.80  
         HD2   75  ILE   QD1   5.20  
         HD3   30  TYR   CZ    6.30  
         HD3   75  ILE   QD1   4.00  
 29 VAL  
         HN    29  VAL   HA    3.70  
         HN    29  VAL   HB    3.20  
         HN    29  VAL   QG1   4.80  
         HN    29  VAL   QG2   4.00  
         HN    30  TYR   CG    8.00  
         HN    30  TYR   CZ    8.00  
         HN    75  ILE   HG12  3.90  
         HN    76  ILE   HN    4.50  
         HN    76  ILE   HG12  5.80  
         HN    76  ILE   QD1   6.10  
         HN    77  GLY   HN    4.30  
         HN    78  GLU-  HN    4.30  
         HN    78  GLU-  HA    3.60  
         HN    79  LEU   HN    4.50  
         HA    29  VAL   HB    4.30  
         HA    29  VAL   QG1   4.20  
         HA    29  VAL   QG2   4.10  
         HA    30  TYR   HN    2.60  
         HA    30  TYR   CG    6.00  
         HA    30  TYR   CZ    6.40  
         HA    76  ILE   HN    6.00  
         HA    77  GLY   HN    5.70  
         HB    29  VAL   QG1   3.80  
         HB    29  VAL   QG2   3.60  
         HB    76  ILE   HN    5.00  
         HB    76  ILE   HG12  4.60  
         HB    76  ILE   QD1   7.00  
         HB    77  GLY   HN    4.40  
         HB    78  GLU-  HN    5.30  
         HB    78  GLU-  HA    4.60  
         QG1   30  TYR   HN    4.30  
         QG1   30  TYR   HA    5.10  
         QG1   30  TYR   HB2   5.80  
         QG1   31  ASP-  HN    7.00  
         QG1   31  ASP-  HB2   6.50  
         QG1   75  ILE   HA    7.00  
         QG1   76  ILE   HN    6.20  
         QG1   76  ILE   HG12  3.70  
         QG1   76  ILE   HG13  4.20  
         QG1   76  ILE   QD1   4.80  
         QG1   77  GLY   HN    6.20  
         QG1   78  GLU-  HN    7.00  
         QG1   78  GLU-  HA    7.00  
         QG2   30  TYR   CG    8.10  
         QG2   76  ILE   HN    7.00  
         QG2   76  ILE   HG12  5.80  
         QG2   76  ILE   HG13  5.50  
         QG2   76  ILE   QD1   7.70  
         QG2   77  GLY   HN    6.20  
         QG2   78  GLU-  HN    5.10  
         QG2   78  GLU-  HA    4.20  
         QG2   79  LEU   HN    4.50  
         QG2   79  LEU   HA    5.50  
         QG2   80  HIS   HN    5.80  
 30 TYR  
         HN    30  TYR   HA    3.70  
         HN    30  TYR   HB2   3.10  
         HN    30  TYR   HB3   3.80  
         HN    30  TYR   CG    5.60  
         HN    30  TYR   CZ    6.20  
         HN    31  ASP-  HN    4.40  
         HN    32  LEU   QD1   5.50  
         HN    75  ILE   HA    5.40  
         HN    76  ILE   HG13  4.40  
         HN    76  ILE   QD1   5.80  
         HA    30  TYR   HB2   3.40  
         HA    30  TYR   HB3   3.00  
         HA    30  TYR   CG    5.90  
         HA    31  ASP-  HN    2.70  
         HA    32  LEU   QD1   5.30  
         HA    32  LEU   QD2   6.60  
         HA    74  PHE   QB    7.00  
         HA    75  ILE   HA    3.50  
         HA    76  ILE   HN    3.70  
         HA    76  ILE   HG13  3.90  
         HA    76  ILE   QD1   6.80  
         HB2   30  TYR   CG    5.40  
         HB2   30  TYR   CZ    6.50  
         HB2   31  ASP-  HN    4.60  
         HB2   32  LEU   QD1   4.60  
         HB2   32  LEU   QD2   5.90  
         HB2   75  ILE   HA    6.00  
         HB3   30  TYR   CG    5.50  
         HB3   30  TYR   CZ    7.30  
         HB3   31  ASP-  HN    3.90  
         HB3   32  LEU   QD1   4.80  
         HB3   75  ILE   HA    5.10  
         CG    30  TYR   CZ    7.50  
         CG    31  ASP-  HN    7.70  
         CG    32  LEU   QD1   6.70  
         CG    71  SER   HA    7.30  
         CG    71  SER   QB    8.90  
         CG    74  PHE   HN    7.10  
         CG    74  PHE   QB    7.20  
         CG    74  PHE   CG    8.60  
         CG    75  ILE   HN    6.50  
         CG    75  ILE   HA    7.00  
         CG    75  ILE   HB    8.00  
         CG    75  ILE   QG2   7.70  
         CG    75  ILE   HG12  6.80  
         CG    75  ILE   HG13  6.80  
         CG    75  ILE   QD1   8.10  
         CG    76  ILE   HN    8.00  
         CG    201 HEM   QM1   9.00  
         CG    201 HEM   HV2T  5.60  
         CZ    32  LEU   QD1   9.00  
         CZ    71  SER   HA    6.30  
         CZ    71  SER   QB    7.60  
         CZ    74  PHE   HN    8.00  
         CZ    74  PHE   QB    9.00  
         CZ    74  PHE   CG    10.00 
         CZ    75  ILE   HN    8.00  
         CZ    75  ILE   HA    6.80  
         CZ    75  ILE   HB    7.80  
         CZ    75  ILE   QG2   8.00  
         CZ    75  ILE   HG12  6.30  
         CZ    75  ILE   HG13  6.10  
         CZ    75  ILE   QD1   7.20  
         CZ    201 HEM   QM1   9.00  
         CZ    201 HEM   HV2T  7.10  
 31 ASP- 
         HN    31  ASP-  HA    4.10  
         HN    31  ASP-  HB2   3.50  
         HN    31  ASP-  HB3   3.30  
         HN    32  LEU   HN    5.00  
         HN    32  LEU   QD1   4.80  
         HN    74  PHE   QB    5.90  
         HN    75  ILE   HA    4.30  
         HN    76  ILE   HN    4.00  
         HN    76  ILE   QG2   4.30  
         HN    76  ILE   HG12  4.70  
         HN    76  ILE   QD1   4.90  
         HA    31  ASP-  HB2   3.20  
         HA    31  ASP-  HB3   3.50  
         HA    32  LEU   HN    2.70  
         HA    32  LEU   HG    5.30  
         HA    32  LEU   QD1   6.10  
         HA    32  LEU   QD2   6.90  
         HA    76  ILE   QG2   5.20  
         HA    76  ILE   QD1   5.50  
         HB2   32  LEU   HN    4.60  
         HB2   76  ILE   HG13  4.60  
         HB2   76  ILE   QD1   4.10  
         HB3   32  LEU   HN    4.60  
         HB3   76  ILE   QG2   4.10  
         HB3   76  ILE   QD1   4.40  
 32 LEU  
         HN    32  LEU   HA    2.90  
         HN    32  LEU   HB2   3.30  
         HN    32  LEU   HB3   4.10  
         HN    32  LEU   HG    4.10  
         HN    32  LEU   QD1   4.70  
         HN    32  LEU   QD2   5.10  
         HN    33  THR   HN    3.00  
         HA    32  LEU   HB2   3.40  
         HA    32  LEU   HB3   3.00  
         HA    32  LEU   HG    4.00  
         HA    32  LEU   QD1   3.60  
         HA    32  LEU   QD2   5.50  
         HA    33  THR   HN    3.80  
         HA    34  LYS+  HN    4.60  
         HA    35  PHE   HN    4.10  
         HA    35  PHE   HB2   4.30  
         HA    35  PHE   HB3   4.10  
         HA    35  PHE   CG    7.20  
         HB2   32  LEU   QD1   4.40  
         HB2   32  LEU   QD2   4.50  
         HB2   33  THR   HN    4.00  
         HB2   35  PHE   HB2   4.40  
         HB2   35  PHE   HB3   3.50  
         HB2   35  PHE   CG    6.80  
         HB2   36  LEU   HG    4.70  
         HB3   32  LEU   HG    3.80  
         HB3   32  LEU   QD1   4.60  
         HB3   32  LEU   QD2   4.70  
         HB3   33  THR   HN    4.60  
         HB3   35  PHE   HB2   4.00  
         HB3   35  PHE   HB3   3.00  
         HB3   35  PHE   CG    6.80  
         HG    32  LEU   QD1   4.20  
         HG    32  LEU   QD2   4.00  
         HG    33  THR   HN    5.20  
         QD1   33  THR   HN    6.00  
         QD1   35  PHE   HB2   5.00  
         QD1   35  PHE   HB3   5.50  
         QD1   35  PHE   CG    6.80  
         QD1   35  PHE   CZ    8.70  
         QD1   74  PHE   QB    6.20  
         QD1   74  PHE   CG    6.70  
         QD1   74  PHE   CZ    7.70  
         QD1   74  PHE   HZ    7.00  
         QD1   201 HEM   QM1   6.90  
         QD1   201 HEM   HV2A  3.50  
         QD1   201 HEM   HV2T  3.70  
         QD2   35  PHE   CG    7.40  
         QD2   35  PHE   CZ    7.70  
         QD2   74  PHE   CG    9.00  
         QD2   201 HEM   HV2T  5.50  
 33 THR  
         HN    33  THR   HA    3.20  
         HN    33  THR   HB    3.60  
         HN    33  THR   QG2   4.80  
         HN    34  LYS+  HN    3.70  
         HN    35  PHE   HN    4.30  
         HA    33  THR   HB    3.00  
         HA    33  THR   QG2   4.30  
         HA    34  LYS+  HN    4.90  
         HA    34  LYS+  HA    4.80  
         HA    35  PHE   HN    4.50  
         HA    36  LEU   HN    4.80  
         HA    36  LEU   HG    3.80  
         HA    36  LEU   QD1   4.10  
         HA    36  LEU   QD2   4.80  
         HB    33  THR   QG2   3.50  
         HB    34  LYS+  HN    3.80  
         QG2   34  LYS+  HN    5.10  
         QG2   34  LYS+  HA    5.50  
         QG2   36  LEU   HG    7.00  
 34 LYS+ 
         HN    34  LYS+  HA    3.90  
         HN    34  LYS+  HB2   3.30  
         HN    34  LYS+  HB3   4.20  
         HN    34  LYS+  HG2   4.30  
         HN    34  LYS+  HG3   4.70  
         HN    34  LYS+  QD    5.40  
         HN    35  PHE   HN    3.20  
         HN    35  PHE   HB2   4.80  
         HN    35  PHE   HB3   4.40  
         HN    36  LEU   HN    4.70  
         HA    34  LYS+  HB2   3.00  
         HA    34  LYS+  HB3   3.50  
         HA    34  LYS+  HG2   3.50  
         HA    34  LYS+  HG3   3.40  
         HA    34  LYS+  QD    4.60  
         HA    35  PHE   HN    3.70  
         HA    36  LEU   HN    4.50  
         HB2   34  LYS+  HG2   2.60  
         HB2   34  LYS+  QD    3.90  
         HB2   35  PHE   HN    4.30  
         HB2   74  PHE   CZ    7.20  
         HB3   34  LYS+  HG2   2.50  
         HB3   34  LYS+  QD    4.70  
         HB3   34  LYS+  QE    4.90  
         HG2   34  LYS+  QD    4.70  
         HG2   34  LYS+  QE    7.00  
         HG3   34  LYS+  QD    4.80  
         HG3   34  LYS+  QE    6.80  
 35 PHE  
         HN    35  PHE   HA    3.30  
         HN    35  PHE   HB2   3.10  
         HN    35  PHE   HB3   3.20  
         HN    35  PHE   CG    6.50  
         HN    36  LEU   HN    2.80  
         HN    36  LEU   HB2   4.30  
         HN    36  LEU   HG    3.50  
         HN    36  LEU   QD1   7.00  
         HN    36  LEU   QD2   7.00  
         HA    35  PHE   HB2   2.80  
         HA    35  PHE   HB3   3.00  
         HA    35  PHE   CG    4.40  
         HA    36  LEU   HN    4.20  
         HA    37  GLU-  HN    5.30  
         HA    38  GLU-  HN    3.50  
         HA    38  GLU-  HB2   3.30  
         HA    38  GLU-  HB3   3.60  
         HA    38  GLU-  HG2   3.70  
         HA    39  HIS   HN    5.90  
         HA    74  PHE   CZ    8.00  
         HA    74  PHE   HZ    5.60  
         HB2   35  PHE   CG    5.60  
         HB2   36  LEU   HN    4.20  
         HB2   74  PHE   CG    8.00  
         HB2   74  PHE   CZ    6.50  
         HB2   74  PHE   HZ    3.90  
         HB3   35  PHE   CG    5.60  
         HB3   36  LEU   HN    4.30  
         HB3   74  PHE   CG    7.60  
         HB3   74  PHE   CZ    7.00  
         HB3   74  PHE   HZ    4.30  
         CG    35  PHE   CZ    9.50  
         CG    36  LEU   HN    8.00  
         CG    36  LEU   QD2   9.00  
         CG    38  GLU-  HN    7.60  
         CG    38  GLU-  HB2   6.00  
         CG    38  GLU-  HB3   6.30  
         CG    39  HIS   HN    8.00  
         CG    74  PHE   CG    9.70  
         CG    74  PHE   CZ    8.60  
         CG    74  PHE   HZ    5.80  
         CG    201 HEM   QM1   7.50  
         CZ    201 HEM   QM1   7.80  
         HZ    38  GLU-  HB2   4.90  
         HZ    201 HEM   QM1   7.00  
 36 LEU  
         HN    36  LEU   HB2   2.90  
         HN    36  LEU   HB3   3.70  
         HN    36  LEU   HG    3.00  
         HN    36  LEU   QD1   4.10  
         HN    36  LEU   QD2   4.20  
         HN    37  GLU-  HN    3.30  
         HN    38  GLU-  HN    4.60  
         HA    39  HIS   HN    4.20  
         HB2   36  LEU   QD1   3.60  
         HB2   36  LEU   QD2   4.10  
         HB2   37  GLU-  HN    3.30  
         HB2   43  GLU-  HA    5.10  
         HB2   43  GLU-  HB2   3.90  
         HB3   36  LEU   HG    3.20  
         HB3   36  LEU   QD1   3.50  
         HB3   36  LEU   QD2   3.50  
         HB3   37  GLU-  HN    3.30  
         HB3   43  GLU-  HA    5.00  
         HB3   43  GLU-  HB2   4.50  
         HB3   43  GLU-  HB3   4.00  
         HG    36  LEU   QD1   3.60  
         HG    36  LEU   QD2   3.50  
         QD1   37  GLU-  HN    5.00  
         QD1   43  GLU-  HA    7.00  
         QD1   43  GLU-  HB2   5.50  
         QD1   43  GLU-  HB3   6.30  
         QD1   47  ARG+  HA    5.70  
         QD1   47  ARG+  QB    6.50  
         QD1   47  ARG+  QD    7.10  
         QD2   37  GLU-  HN    5.70  
         QD2   43  GLU-  HA    5.00  
         QD2   43  GLU-  HB2   5.10  
         QD2   43  GLU-  HB3   7.00  
         QD2   46  LEU   QB    6.10  
         QD2   47  ARG+  HN    4.80  
         QD2   47  ARG+  HA    5.80  
         QD2   47  ARG+  QB    6.60  
         QD2   47  ARG+  QD    7.20  
 37 GLU- 
         HN    37  GLU-  HA    3.20  
         HN    37  GLU-  HB2   3.60  
         HN    37  GLU-  HB3   3.20  
         HN    37  GLU-  QG    4.60  
         HN    38  GLU-  HN    2.70  
         HN    39  HIS   HN    4.30  
         HA    37  GLU-  HB2   2.80  
         HA    37  GLU-  HB3   3.00  
         HA    37  GLU-  QG    4.40  
         HA    38  GLU-  HN    3.80  
         HA    39  HIS   HN    4.60  
         HB3   37  GLU-  QG    4.10  
         HB3   38  GLU-  HN    3.50  
 38 GLU- 
         HN    38  GLU-  HA    3.70  
         HN    38  GLU-  HB2   2.90  
         HN    38  GLU-  HB3   4.20  
         HN    38  GLU-  HG2   3.80  
         HN    38  GLU-  HG3   4.10  
         HN    39  HIS   HN    2.60  
         HA    38  GLU-  HB2   3.00  
         HA    38  GLU-  HB3   3.00  
         HA    38  GLU-  HG2   4.50  
         HA    38  GLU-  HG3   4.00  
         HA    39  HIS   HN    4.70  
         HB2   39  HIS   HN    3.60  
         HB3   39  HIS   HN    3.90  
         HG2   39  HIS   HN    4.80  
         HG3   39  HIS   HN    4.80  
 39 HIS  
         HN    39  HIS   HA    2.80  
         HN    39  HIS   HB2   2.60  
         HN    39  HIS   HB3   2.50  
         HA    39  HIS   HB3   3.50  
         HA    40  PRO   HG3   6.00  
 40 PRO  
         HA    40  PRO   HB3   3.10  
         HB2   201 HEM   HAP72 6.00  
         HB3   201 HEM   HAP72 6.00  
         HG2   201 HEM   HAP71 5.80  
         HG2   201 HEM   HAP72 6.00  
         HG2   201 HEM   QM8   5.50  
         HG3   201 HEM   HAP72 6.00  
 41 GLY  
         HN    41  GLY   HA1   4.20  
         HN    41  GLY   HA2   3.40  
         HA1   201 HEM   HBM   5.80  
         HA1   201 HEM   HAP61 6.00  
         HA1   201 HEM   HAP62 6.00  
         HA2   201 HEM   HBM   5.10  
 42 GLY  
         HN    42  GLY   HA1   3.30  
         HN    42  GLY   HA2   3.30  
         HN    43  GLU-  HN    5.70  
         HA1   43  GLU-  HN    3.50  
         HA1   44  ALA   HN    6.00  
         HA2   43  GLU-  HN    3.40  
         HA2   44  ALA   HN    6.00  
         HA2   45  VAL   HN    6.00  
 43 GLU- 
         HN    43  GLU-  HA    3.80  
         HN    43  GLU-  HB2   3.60  
         HN    43  GLU-  HB3   3.60  
         HA    43  GLU-  HB2   3.30  
         HA    43  GLU-  HB3   3.40  
         HA    44  ALA   HN    5.40  
         HA    45  VAL   HN    6.00  
         HA    46  LEU   HN    4.60  
         HA    46  LEU   QB    5.20  
         HA    46  LEU   HG    5.20  
         HA    47  ARG+  HN    5.90  
         HB2   44  ALA   HN    4.00  
         HB3   44  ALA   HN    4.30  
         HB3   44  ALA   QB    7.00  
 44 ALA  
         HN    44  ALA   HA    3.60  
         HN    44  ALA   QB    3.50  
         HN    45  VAL   HN    5.10  
         HN    46  LEU   HN    6.00  
         HN    47  ARG+  HN    6.00  
         HA    44  ALA   QB    3.50  
         HA    45  VAL   HN    4.20  
         HA    46  LEU   HN    5.90  
         HA    47  ARG+  HN    3.80  
         HA    47  ARG+  QB    4.20  
         HA    47  ARG+  QG    5.00  
         HA    47  ARG+  QD    6.60  
         HA    48  ALA   HN    4.60  
         QB    45  VAL   HN    3.50  
         QB    45  VAL   HA    5.40  
 45 VAL  
         HN    45  VAL   HA    3.30  
         HN    45  VAL   HB    3.50  
         HN    45  VAL   QG1   5.30  
         HN    45  VAL   QG2   4.70  
         HN    46  LEU   HN    3.40  
         HN    47  ARG+  HN    4.40  
         HN    48  ALA   HN    6.00  
         HN    48  ALA   QB    6.10  
         HA    45  VAL   HB    3.10  
         HA    45  VAL   QG1   5.00  
         HA    45  VAL   QG2   3.70  
         HA    46  LEU   HN    4.50  
         HA    48  ALA   HN    3.90  
         HA    48  ALA   QB    3.50  
         HB    45  VAL   QG1   5.60  
         HB    45  VAL   QG2   4.10  
         HB    46  LEU   HN    4.70  
         QG1   46  LEU   HN    6.80  
         QG1   201 HEM   QM5   4.30  
         QG2   46  LEU   HN    7.00  
         QG2   201 HEM   QM5   6.60  
 46 LEU  
         HN    46  LEU   HA    3.70  
         HN    46  LEU   QB    4.40  
         HN    46  LEU   HG    4.10  
         HN    47  ARG+  HN    3.10  
         HN    47  ARG+  QB    5.10  
         HN    48  ALA   HN    4.60  
         HA    46  LEU   QB    4.30  
         HA    46  LEU   HG    3.70  
         HA    46  LEU   QD2   6.10  
         HA    47  ARG+  HN    3.90  
         HA    49  GLN   HN    5.20  
         HA    49  GLN   HB3   4.60  
         QB    46  LEU   HG    4.70  
         QB    46  LEU   QD2   7.30  
         QB    47  ARG+  HN    4.50  
         HG    47  ARG+  HN    5.30  
         HG    201 HEM   QM3   6.00  
 47 ARG+ 
         HN    47  ARG+  HA    3.00  
         HN    47  ARG+  QB    3.40  
         HN    47  ARG+  QG    5.00  
         HN    47  ARG+  QD    6.40  
         HN    48  ALA   HN    3.20  
         HN    48  ALA   QB    4.90  
         HN    49  GLN   HN    5.80  
         HA    47  ARG+  QB    3.40  
         HA    47  ARG+  QG    4.40  
         HA    47  ARG+  QD    5.50  
         HA    48  ALA   HN    3.80  
         HA    49  GLN   HN    4.80  
         HA    50  ALA   HN    3.90  
         HA    50  ALA   QB    3.50  
         QB    47  ARG+  QG    5.10  
         QB    47  ARG+  QD    5.30  
         QB    48  ALA   HN    4.40  
         QB    48  ALA   HA    5.20  
         QG    47  ARG+  QD    5.90  
         QG    48  ALA   HN    6.70  
 48 ALA  
         HN    48  ALA   HA    3.10  
         HN    48  ALA   QB    3.50  
         HN    49  GLN   HN    2.90  
         HN    49  GLN   HB2   4.60  
         HN    50  ALA   HN    6.00  
         HA    48  ALA   QB    3.50  
         HA    49  GLN   HN    3.70  
         HA    50  ALA   HN    4.30  
         QB    49  GLN   HN    3.50  
         QB    49  GLN   HG2   5.30  
         QB    50  ALA   HN    5.30  
 49 GLN  
         HN    49  GLN   HA    3.10  
         HN    49  GLN   HB2   3.40  
         HN    49  GLN   HB3   3.40  
         HN    49  GLN   HG2   4.10  
         HN    49  GLN   HG3   3.90  
         HN    50  ALA   HN    2.60  
         HN    50  ALA   HA    5.10  
         HN    50  ALA   QB    5.40  
         HA    49  GLN   HB2   3.30  
         HA    49  GLN   HB3   3.00  
         HA    49  GLN   HG2   3.40  
         HA    49  GLN   HG3   4.00  
         HA    49  GLN   QE2   6.60  
         HA    50  ALA   HN    3.70  
         HA    54  ALA   QB    5.80  
         HB2   49  GLN   HG2   2.60  
         HB2   49  GLN   HG3   3.20  
         HB2   49  GLN   QE2   6.80  
         HB2   50  ALA   HN    3.40  
         HB2   54  ALA   QB    5.40  
         HB3   49  GLN   HG2   3.50  
         HB3   49  GLN   HG3   2.50  
         HB3   49  GLN   QE2   6.90  
         HB3   50  ALA   HN    4.60  
         HB3   54  ALA   HA    6.00  
         HB3   54  ALA   QB    4.70  
         HG2   49  GLN   QE2   5.30  
         HG2   54  ALA   QB    6.40  
         HG2   57  ASN   HB2   5.50  
         HG3   49  GLN   QE2   6.00  
         HG3   54  ALA   HA    4.80  
         HG3   54  ALA   QB    3.90  
 50 ALA  
         HN    50  ALA   HA    3.30  
         HN    50  ALA   QB    3.50  
         HN    51  GLY   HN    5.00  
         HA    50  ALA   QB    3.50  
         HA    51  GLY   HN    2.50  
         HA    51  GLY   HA1   4.70  
         HA    52  GLY   HN    3.90  
         QB    51  GLY   HN    3.90  
         QB    51  GLY   HA1   5.70  
         QB    51  GLY   HA2   5.10  
         QB    52  GLY   HN    5.80  
 51 GLY  
         HN    51  GLY   HA1   3.20  
         HN    51  GLY   HA2   3.00  
         HN    52  GLY   HN    3.20  
         HA1   52  GLY   HN    3.80  
         HA2   52  GLY   HN    3.80  
 52 GLY  
         HN    52  GLY   HA1   3.20  
         HN    52  GLY   HA2   3.10  
         HN    53  ASP-  HN    4.50  
         HA1   53  ASP-  HN    3.10  
         HA2   53  ASP-  HN    3.70  
         HA2   53  ASP-  HB3   5.10  
 53 ASP- 
         HN    53  ASP-  HA    5.00  
         HN    53  ASP-  HB3   3.20  
 54 ALA  
         HN    54  ALA   HA    3.90  
         HN    54  ALA   QB    3.50  
         HN    55  THR   HN    6.00  
         HN    55  THR   HA    4.40  
         HN    55  THR   HB    4.70  
         HN    55  THR   QG2   7.00  
         HA    54  ALA   QB    3.50  
         HA    55  THR   HN    4.90  
         HA    55  THR   HA    4.90  
         HA    56  ALA   HN    4.90  
         HA    57  ASN   HN    4.70  
         HA    57  ASN   HB2   3.20  
         HA    58  PHE   HN    4.10  
         QB    55  THR   HN    5.20  
         QB    55  THR   HA    5.60  
         QB    56  ALA   HN    6.10  
         QB    57  ASN   HN    5.00  
         QB    57  ASN   HB2   7.00  
         QB    58  PHE   HN    4.00  
         QB    201 HEM   QM3   3.70  
 55 THR  
         HN    55  THR   HA    3.70  
         HN    55  THR   HB    3.40  
         HN    55  THR   QG2   4.50  
         HN    56  ALA   HN    5.20  
         HN    57  ASN   HN    4.20  
         HA    55  THR   HB    3.30  
         HA    55  THR   QG2   3.60  
         HA    56  ALA   HN    4.20  
         HA    57  ASN   HN    6.00  
         HA    58  PHE   HN    4.10  
         HA    59  GLU-  HN    4.80  
         HB    55  THR   QG2   3.50  
         HB    56  ALA   HN    3.10  
         HB    56  ALA   QB    6.20  
         QG2   56  ALA   HN    4.70  
         QG2   56  ALA   HA    5.60  
         QG2   57  ASN   HN    7.00  
         QG2   58  PHE   QB    6.10  
         QG2   59  GLU-  HN    5.80  
         QG2   59  GLU-  HA    7.00  
         QG2   59  GLU-  HB2   5.90  
         QG2   59  GLU-  HB3   7.00  
         QG2   59  GLU-  HG3   4.30  
 56 ALA  
         HN    56  ALA   HA    3.00  
         HN    56  ALA   QB    3.50  
         HN    57  ASN   HN    3.50  
         HN    58  PHE   HN    4.40  
         HA    56  ALA   QB    3.50  
         HA    57  ASN   HN    3.70  
         HA    58  PHE   HN    4.90  
         HA    59  GLU-  HN    4.10  
         HA    59  GLU-  HA    5.70  
         HA    59  GLU-  HB2   5.30  
         HA    59  GLU-  HB3   4.70  
         HA    60  ALA   HN    5.20  
         QB    57  ASN   HN    3.50  
         QB    58  PHE   HN    7.00  
 57 ASN  
         HN    57  ASN   HA    3.10  
         HN    57  ASN   HB2   3.30  
         HN    57  ASN   HB3   3.60  
         HN    58  PHE   HN    3.20  
         HN    59  GLU-  HN    6.00  
         HN    60  ALA   QB    5.30  
         HA    57  ASN   HB2   3.20  
         HA    57  ASN   HB3   3.10  
         HA    57  ASN   HD21  4.60  
         HA    57  ASN   HD22  5.90  
         HA    58  PHE   HN    3.70  
         HA    59  GLU-  HN    6.00  
         HA    60  ALA   HN    4.10  
         HA    60  ALA   QB    3.50  
         HB2   57  ASN   HD21  3.90  
         HB2   57  ASN   HD22  4.30  
         HB2   58  PHE   HN    3.50  
         HB2   201 HEM   HV4T  5.10  
         HB3   57  ASN   HD21  4.00  
         HB3   57  ASN   HD22  4.50  
         HB3   58  PHE   HN    3.80  
 58 PHE  
         HN    58  PHE   QB    5.00  
         HN    59  GLU-  HN    3.10  
         HN    59  GLU-  HG2   4.30  
         HN    60  ALA   HN    4.60  
         QB    59  GLU-  HN    6.90  
         CG    58  PHE   CZ    8.30  
         CG    58  PHE   HZ    6.60  
         CZ    58  PHE   HZ    5.60  
         CZ    201 HEM   QM1   9.00  
 59 GLU- 
         HN    59  GLU-  HA    3.10  
         HN    59  GLU-  HB2   3.60  
         HN    59  GLU-  HB3   3.10  
         HN    59  GLU-  HG2   3.50  
         HN    59  GLU-  HG3   3.50  
         HN    60  ALA   HN    2.90  
         HN    60  ALA   HA    5.40  
         HN    60  ALA   QB    5.30  
         HN    61  VAL   HN    4.80  
         HA    59  GLU-  HB2   3.00  
         HA    59  GLU-  HB3   2.90  
         HA    59  GLU-  HG2   4.30  
         HA    59  GLU-  HG3   4.70  
         HA    60  ALA   HN    3.80  
         HA    61  VAL   HN    4.60  
         HA    62  GLY   HN    5.00  
         HA    63  HIS   HN    6.00  
         HB2   59  GLU-  HG2   3.00  
         HB2   59  GLU-  HG3   2.90  
         HB2   60  ALA   HN    3.90  
         HB3   59  GLU-  HG2   3.20  
         HB3   59  GLU-  HG3   3.30  
         HB3   60  ALA   HN    4.00  
         HG2   60  ALA   HN    6.00  
         HG3   60  ALA   HN    5.80  
 60 ALA  
         HN    60  ALA   HA    2.90  
         HN    60  ALA   QB    3.50  
         HN    61  VAL   HN    3.30  
         HA    60  ALA   QB    3.50  
         HA    61  VAL   HN    4.30  
         HA    62  GLY   HN    5.00  
         QB    61  VAL   HN    3.70  
 61 VAL  
         HN    61  VAL   HA    3.50  
         HN    62  GLY   HN    3.40  
         HA    201 HEM   HBP63 4.90  
 62 GLY  
         HN    62  GLY   HA1   3.70  
         HN    62  GLY   HA2   3.60  
         HN    63  HIS   HN    5.00  
         HA1   63  HIS   HN    4.80  
         HA2   63  HIS   HN    5.60  
 63 HIS  
         HN    63  HIS   HA    6.00  
         HN    63  HIS   HB2   6.00  
         HA    64  SER   HN    4.10  
 64 SER  
         HN    64  SER   HA    3.50  
         HN    64  SER   HB2   3.80  
         HN    64  SER   HB3   3.60  
         HN    65  THR   HN    6.00  
         HN    67  ALA   HN    6.00  
         HN    67  ALA   QB    7.00  
         HA    64  SER   HB2   3.30  
         HA    64  SER   HB3   3.20  
         HA    65  THR   HN    3.90  
         HA    65  THR   HA    4.80  
         HB2   65  THR   HN    4.60  
         HB2   67  ALA   HN    6.00  
         HB3   65  THR   HN    5.00  
         HB3   67  ALA   HN    6.00  
 65 THR  
         HN    65  THR   HA    3.10  
         HN    65  THR   HB    4.00  
         HN    66  ASP-  HN    3.70  
         HN    67  ALA   HN    4.30  
         HA    65  THR   HB    3.20  
         HA    66  ASP-  HN    3.80  
         HA    67  ALA   HN    4.70  
         HA    68  ARG+  HN    3.40  
         HA    68  ARG+  HB3   3.60  
         HA    68  ARG+  HG2   4.80  
         HA    68  ARG+  HG3   6.00  
         HA    68  ARG+  HD2   5.80  
         HA    68  ARG+  HD3   4.10  
         HA    69  GLU-  HN    4.10  
         HB    66  ASP-  HN    3.60  
         HB    69  GLU-  HN    5.40  
 66 ASP- 
         HN    66  ASP-  HA    3.00  
         HN    66  ASP-  HB2   3.10  
         HN    66  ASP-  HB3   3.30  
         HA    66  ASP-  HB2   2.80  
         HA    66  ASP-  HB3   3.10  
         HA    67  ALA   HN    3.80  
         HA    69  GLU-  HN    3.60  
         HA    69  GLU-  HB2   4.00  
         HA    69  GLU-  HB3   4.10  
         HA    70  LEU   HN    5.10  
         HB2   67  ALA   HN    3.30  
         HB2   67  ALA   HA    6.00  
         HB3   67  ALA   HN    3.40  
 67 ALA  
         HN    67  ALA   HA    4.50  
         HN    67  ALA   QB    4.30  
         HN    68  ARG+  HN    3.40  
         HN    69  GLU-  HN    4.00  
         HN    70  LEU   HB3   5.30  
         HA    67  ALA   QB    4.60  
         HA    68  ARG+  HN    4.60  
         HA    69  GLU-  HN    6.00  
         HA    70  LEU   HN    4.00  
         HA    70  LEU   HB2   3.70  
         HA    70  LEU   HB3   3.70  
         HA    70  LEU   QD2   4.90  
         HA    71  SER   HN    4.60  
         HA    201 HEM   QM8   4.10  
         HA    201 HEM   QM1   6.50  
         QB    68  ARG+  HN    4.30  
         QB    201 HEM   QM8   6.20  
 68 ARG+ 
         HN    68  ARG+  HA    4.00  
         HN    68  ARG+  HB2   3.10  
         HN    68  ARG+  HB3   3.60  
         HN    68  ARG+  HG2   4.70  
         HN    68  ARG+  HG3   5.10  
         HN    68  ARG+  HD2   3.70  
         HN    68  ARG+  HD3   4.70  
         HN    69  GLU-  HN    3.10  
         HN    69  GLU-  HB2   4.50  
         HN    70  LEU   HN    5.40  
         HA    68  ARG+  HB2   3.70  
         HA    68  ARG+  HB3   3.80  
         HA    68  ARG+  HG3   4.60  
         HA    68  ARG+  HD2   4.50  
         HA    69  GLU-  HN    4.20  
         HA    71  SER   HN    6.00  
         HA    71  SER   QB    7.00  
         HB2   68  ARG+  HG2   4.00  
         HB2   68  ARG+  HD2   3.50  
         HB2   68  ARG+  HD3   4.30  
         HB2   69  GLU-  HN    4.30  
         HB3   68  ARG+  HG2   4.30  
         HB3   68  ARG+  HD2   4.10  
         HB3   68  ARG+  HD3   3.90  
         HB3   69  GLU-  HN    4.00  
         HG2   68  ARG+  HD2   4.10  
         HG2   68  ARG+  HD3   2.70  
         HG3   68  ARG+  HD2   2.90  
         HG3   68  ARG+  HD3   4.30  
         HG3   69  GLU-  HN    6.00  
 69 GLU- 
         HN    69  GLU-  HA    3.00  
         HN    69  GLU-  HB2   3.00  
         HN    69  GLU-  HB3   3.50  
         HN    69  GLU-  HG2   3.60  
         HN    69  GLU-  HG3   3.80  
         HN    70  LEU   HN    3.00  
         HN    70  LEU   HA    5.00  
         HN    70  LEU   HB2   4.60  
         HN    70  LEU   HB3   4.40  
         HN    71  SER   HN    5.60  
         HA    69  GLU-  HB2   2.90  
         HA    69  GLU-  HB3   2.80  
         HA    69  GLU-  HG2   3.50  
         HA    69  GLU-  HG3   3.70  
         HA    70  LEU   HN    3.90  
         HA    71  SER   HN    6.00  
         HA    72  LYS+  HN    4.50  
         HB2   69  GLU-  HG2   2.80  
         HB2   69  GLU-  HG3   2.90  
         HB2   70  LEU   HN    3.10  
         HB2   70  LEU   HB2   5.20  
         HB3   69  GLU-  HG2   3.10  
         HB3   69  GLU-  HG3   3.00  
         HB3   70  LEU   HN    3.50  
 70 LEU  
         HN    70  LEU   HA    3.00  
         HN    70  LEU   HB2   2.90  
         HN    70  LEU   HB3   3.30  
         HN    70  LEU   HG    4.50  
         HN    70  LEU   QD1   5.30  
         HN    70  LEU   QD2   5.30  
         HN    71  SER   HN    3.10  
         HN    72  LYS+  HN    6.00  
         HN    201 HEM   QM1   6.70  
         HA    70  LEU   HB2   2.70  
         HA    70  LEU   HB3   3.00  
         HA    70  LEU   HG    4.10  
         HA    70  LEU   QD1   3.90  
         HA    70  LEU   QD2   4.50  
         HA    71  SER   HN    4.00  
         HA    72  LYS+  HN    4.70  
         HA    73  THR   HN    5.00  
         HA    201 HEM   QM1   5.20  
         HB2   70  LEU   HG    3.60  
         HB2   70  LEU   QD1   4.00  
         HB2   70  LEU   QD2   3.60  
         HB2   71  SER   HN    4.00  
         HB2   74  PHE   CZ    8.00  
         HB2   201 HEM   QM1   7.00  
         HB3   70  LEU   HG    3.40  
         HB3   70  LEU   QD1   3.50  
         HB3   70  LEU   QD2   3.60  
         HB3   71  SER   HN    3.60  
         HB3   74  PHE   CG    8.00  
         HB3   74  PHE   CZ    8.00  
         HB3   201 HEM   QM1   4.30  
         HG    70  LEU   QD1   3.70  
         HG    70  LEU   QD2   3.50  
         HG    71  SER   HN    4.80  
         HG    74  PHE   CG    7.20  
         HG    74  PHE   CZ    5.60  
         HG    201 HEM   QM1   5.50  
         QD1   71  SER   HN    4.30  
         QD1   73  THR   HN    5.30  
         QD1   73  THR   HB    7.00  
         QD1   74  PHE   CZ    6.80  
         QD1   74  PHE   HZ    5.50  
         QD1   201 HEM   QM1   6.50  
         QD2   71  SER   HN    6.90  
         QD2   71  SER   HA    7.00  
         QD2   74  PHE   CZ    6.80  
         QD2   74  PHE   HZ    7.00  
         QD2   201 HEM   QM8   5.30  
         QD2   201 HEM   QM1   4.80  
 71 SER  
         HN    71  SER   HA    3.50  
         HN    71  SER   QB    4.50  
         HN    72  LYS+  HN    3.60  
         HN    72  LYS+  HG2   5.30  
         HN    74  PHE   CG    8.00  
         HN    201 HEM   QM1   4.50  
         HA    71  SER   QB    3.80  
         HA    72  LYS+  HN    3.70  
         HA    74  PHE   HN    5.00  
         HA    74  PHE   QB    7.00  
         HA    74  PHE   CG    5.40  
         HA    74  PHE   CZ    6.20  
         HA    201 HEM   QM1   3.50  
         HA    201 HEM   HV2A  4.00  
         QB    72  LYS+  HN    6.30  
         QB    201 HEM   QM1   5.60  
         QB    201 HEM   HV2A  5.80  
         QB    201 HEM   HV2T  4.80  
         QB    201 HEM   HV2C  7.00  
 72 LYS+ 
         HN    72  LYS+  HA    3.20  
         HN    72  LYS+  QB    3.60  
         HN    72  LYS+  HG2   3.60  
         HN    72  LYS+  HG3   3.10  
         HN    73  THR   HN    3.10  
         HN    201 HEM   QM1   7.00  
         HA    72  LYS+  QB    4.20  
         HA    72  LYS+  HG2   3.20  
         HA    72  LYS+  HG3   3.70  
         HA    73  THR   HN    4.40  
         HA    74  PHE   HN    4.40  
         HA    75  ILE   HN    4.40  
         HA    75  ILE   HB    4.80  
         HA    75  ILE   QG2   5.80  
         HA    75  ILE   HG13  3.00  
         HA    75  ILE   QD1   6.70  
         QB    72  LYS+  HG2   4.70  
         QB    72  LYS+  HG3   3.70  
         QB    73  THR   HN    5.30  
 73 THR  
         HN    73  THR   HA    3.00  
         HN    73  THR   HB    3.30  
         HN    73  THR   QG2   5.70  
         HN    74  PHE   HN    3.00  
         HN    74  PHE   CG    6.80  
         HN    74  PHE   CZ    8.00  
         HN    75  ILE   HN    3.90  
         HA    73  THR   HB    3.30  
         HA    73  THR   QG2   3.50  
         HA    74  PHE   HN    3.40  
         HA    75  ILE   HN    5.60  
         HB    73  THR   QG2   3.50  
         HB    74  PHE   HN    4.20  
         HB    74  PHE   CG    6.20  
         QG2   74  PHE   HN    6.80  
         QG2   74  PHE   CG    7.10  
         QG2   74  PHE   CZ    7.20  
         QG2   74  PHE   HZ    6.00  
 74 PHE  
         HN    74  PHE   HA    5.50  
         HN    74  PHE   QB    4.90  
         HN    74  PHE   CG    5.80  
         HN    75  ILE   HN    2.90  
         HN    75  ILE   HA    5.30  
         HN    75  ILE   HB    4.70  
         HN    75  ILE   HG12  5.30  
         HN    75  ILE   QD1   7.00  
         HA    74  PHE   QB    6.70  
         QB    74  PHE   CG    7.20  
         QB    75  ILE   HN    4.90  
         QB    201 HEM   QM1   5.30  
         QB    201 HEM   HV2T  6.10  
         CG    74  PHE   CZ    7.20  
         CG    74  PHE   HZ    6.00  
         CG    201 HEM   QM1   7.40  
         CG    201 HEM   HV2A  7.10  
         CG    201 HEM   HV2C  8.00  
         CZ    74  PHE   HZ    4.90  
         CZ    201 HEM   QM1   6.10  
         HZ    201 HEM   QM1   6.60  
 75 ILE  
         HN    75  ILE   HA    3.40  
         HN    75  ILE   HB    2.50  
         HN    75  ILE   QG2   3.90  
         HN    75  ILE   HG12  4.60  
         HN    75  ILE   HG13  4.70  
         HN    75  ILE   QD1   5.30  
         HN    76  ILE   HN    5.10  
         HA    75  ILE   HB    3.30  
         HA    75  ILE   QG2   3.80  
         HA    75  ILE   HG12  3.70  
         HA    75  ILE   HG13  4.00  
         HA    75  ILE   QD1   4.30  
         HA    76  ILE   HN    2.70  
         HA    76  ILE   HA    5.70  
         HA    76  ILE   QG2   7.00  
         HA    76  ILE   HG12  4.50  
         HA    76  ILE   HG13  4.00  
         HA    76  ILE   QD1   6.70  
         HA    77  GLY   HN    4.20  
         HB    75  ILE   QG2   3.50  
         HB    75  ILE   HG12  3.60  
         HB    75  ILE   HG13  2.60  
         HB    75  ILE   QD1   4.80  
         HB    76  ILE   HN    4.50  
         QG2   75  ILE   HG12  3.50  
         QG2   75  ILE   QD1   4.90  
         QG2   76  ILE   HN    4.30  
         QG2   77  GLY   HN    6.60  
         HG12  75  ILE   QD1   3.50  
         HG12  76  ILE   HN    4.30  
         HG12  77  GLY   HN    4.50  
         HG13  75  ILE   QD1   3.50  
         HG13  76  ILE   HN    4.70  
         HG13  77  GLY   HN    5.00  
         QD1   76  ILE   HN    6.10  
         QD1   77  GLY   HN    5.40  
         QD1   77  GLY   HA1   7.00  
         QD1   77  GLY   HA2   4.90  
 76 ILE  
         HN    76  ILE   HA    3.70  
         HN    76  ILE   HB    3.70  
         HN    76  ILE   QG2   4.60  
         HN    76  ILE   HG12  3.40  
         HN    76  ILE   HG13  3.40  
         HN    76  ILE   QD1   4.40  
         HN    77  GLY   HN    2.80  
         HA    76  ILE   HB    3.00  
         HA    76  ILE   QG2   3.50  
         HA    76  ILE   HG12  4.70  
         HA    76  ILE   HG13  4.60  
         HA    76  ILE   QD1   5.10  
         HA    77  GLY   HN    4.30  
         HB    76  ILE   QG2   3.50  
         HB    76  ILE   HG12  3.70  
         HB    76  ILE   HG13  3.90  
         HB    76  ILE   QD1   3.50  
         HB    77  GLY   HN    4.10  
         QG2   76  ILE   HG12  3.90  
         QG2   76  ILE   HG13  4.10  
         QG2   76  ILE   QD1   4.50  
         QG2   77  GLY   HN    6.30  
         HG12  76  ILE   QD1   3.50  
         HG12  77  GLY   HN    4.00  
         HG13  76  ILE   QD1   3.50  
         HG13  77  GLY   HN    3.80  
         QD1   77  GLY   HN    5.50  
 77 GLY  
         HN    77  GLY   HA1   3.70  
         HN    77  GLY   HA2   3.70  
         HN    78  GLU-  HN    4.20  
         HA1   78  GLU-  HN    3.00  
         HA1   78  GLU-  HB3   4.70  
         HA2   78  GLU-  HN    3.10  
 78 GLU- 
         HN    78  GLU-  HA    3.60  
         HN    78  GLU-  HB2   3.30  
         HN    78  GLU-  HB3   3.70  
         HN    78  GLU-  QG    5.90  
         HA    78  GLU-  HB2   3.60  
         HA    78  GLU-  HB3   3.60  
         HA    78  GLU-  QG    4.50  
         HA    79  LEU   HN    3.10  
         HB2   78  GLU-  QG    5.20  
         HB2   79  LEU   HN    3.80  
         HB3   78  GLU-  QG    4.60  
         HB3   79  LEU   HN    3.60  
         QG    79  LEU   HN    5.10  
 79 LEU  
         HN    79  LEU   HA    3.60  
         HN    79  LEU   QB    4.20  
         HN    79  LEU   HG    5.30  
         HN    79  LEU   QD1   5.40  
         HN    79  LEU   QD2   5.00  
         HN    80  HIS   HN    4.60  
         HN    84  ARG+  HE    6.00  
         HA    79  LEU   QB    4.90  
         HA    79  LEU   HG    5.00  
         HA    79  LEU   QD1   3.70  
         HA    79  LEU   QD2   4.90  
         HA    80  HIS   HN    2.90  
         HA    80  HIS   HB2   5.00  
         HA    80  HIS   HB3   5.30  
         QB    79  LEU   QD1   5.30  
         QB    79  LEU   QD2   5.30  
         QB    80  HIS   HN    5.50  
         HG    79  LEU   QD1   3.50  
         HG    79  LEU   QD2   3.50  
         HG    80  HIS   HN    4.50  
         HG    83  ASP-  HN    4.50  
         HG    83  ASP-  HB3   3.80  
         HG    84  ARG+  HN    5.90  
         HG    84  ARG+  HE    5.80  
         QD1   80  HIS   HN    3.90  
         QD1   83  ASP-  HN    5.40  
         QD1   83  ASP-  HA    5.70  
         QD1   83  ASP-  HB2   4.80  
         QD2   80  HIS   HN    5.20  
         QD2   83  ASP-  HN    5.30  
         QD2   83  ASP-  HA    6.00  
         QD2   83  ASP-  HB2   7.00  
         QD2   83  ASP-  HB3   4.10  
         QD2   84  ARG+  HA    4.10  
         QD2   84  ARG+  HE    5.20  
 80 HIS  
         HN    80  HIS   HA    3.10  
         HN    80  HIS   HB2   3.10  
         HN    80  HIS   HB3   3.50  
         HN    80  HIS   HD2   5.30  
         HA    80  HIS   HB2   3.70  
         HA    80  HIS   HB3   3.90  
         HA    80  HIS   HD2   4.10  
         HA    81  PRO   QG    4.40  
         HA    82  ASP-  HN    5.30  
         HA    83  ASP-  HB3   5.70  
         HA    84  ARG+  HE    6.00  
         HB2   80  HIS   HD2   3.80  
         HB2   82  ASP-  HN    4.20  
         HB3   80  HIS   HD2   4.20  
         HB3   82  ASP-  HN    4.20  
         HB3   83  ASP-  HN    3.50  
         HD2   80  HIS   HE1   4.80  
         HE1   81  PRO   QG    5.50  
         HE1   82  ASP-  HN    4.00  
         HE1   82  ASP-  HA    5.30  
         HE1   82  ASP-  HB2   4.00  
         HE1   82  ASP-  HB3   3.70  
         HE1   83  ASP-  HN    6.00  
 81 PRO  
         HA    81  PRO   HB2   2.60  
         HA    81  PRO   HB3   2.70  
         HA    81  PRO   QG    4.80  
         HA    82  ASP-  HN    4.10  
         HA    83  ASP-  HN    4.20  
         HA    84  ARG+  HN    4.10  
         HA    84  ARG+  HB3   4.30  
         HA    84  ARG+  HE    3.80  
         HB2   81  PRO   QG    3.90  
         HB2   82  ASP-  HN    4.90  
         HB2   84  ARG+  HE    3.90  
         HB3   81  PRO   QG    5.20  
         HB3   82  ASP-  HN    3.80  
         HB3   82  ASP-  HA    4.50  
         QG    82  ASP-  HN    5.50  
         QG    82  ASP-  HB3   7.00  
 82 ASP- 
         HN    82  ASP-  HA    3.10  
         HN    82  ASP-  HB2   3.10  
         HN    82  ASP-  HB3   3.70  
         HN    83  ASP-  HN    3.00  
         HN    83  ASP-  HA    6.00  
         HN    83  ASP-  HB2   5.30  
         HN    84  ARG+  HN    4.40  
         HA    82  ASP-  HB2   3.10  
         HA    82  ASP-  HB3   3.10  
         HA    83  ASP-  HN    3.60  
         HA    84  ARG+  HN    5.30  
         HB2   83  ASP-  HN    3.70  
 83 ASP- 
         HN    83  ASP-  HA    3.50  
         HN    83  ASP-  HB2   3.40  
         HN    83  ASP-  HB3   2.90  
         HN    84  ARG+  HN    2.80  
         HN    84  ARG+  HB3   4.30  
         HA    83  ASP-  HB2   2.90  
         HA    83  ASP-  HB3   3.00  
         HA    84  ARG+  HN    4.00  
         HB2   84  ARG+  HN    4.30  
         HB3   84  ARG+  HN    3.30  
         HB3   84  ARG+  HE    4.20  
 84 ARG+ 
         HN    84  ARG+  HA    3.30  
         HN    84  ARG+  HB2   3.60  
         HN    84  ARG+  HB3   3.90  
         HN    84  ARG+  HE    5.20  
         HA    84  ARG+  HB2   2.90  
         HA    84  ARG+  HB3   3.30  
         HA    84  ARG+  HE    5.40  
         HB2   84  ARG+  HE    4.90  
         HB3   84  ARG+  HE    4.80  
117 HEM  
         HAP71 201 HEM   HAP72 2.50  
         HAP71 201 HEM   HBP73 3.00  
         HAP71 201 HEM   HBP74 2.50  
         HAP71 201 HEM   QM8   4.20  
         HAP71 201 HEM   HGM   3.20  
         HAP72 201 HEM   HBP73 3.10  
         HAP72 201 HEM   HBP74 2.50  
         HAP72 201 HEM   QM8   3.50  
         HAP72 201 HEM   HGM   4.20  
         HBP73 201 HEM   HBP74 2.50  
         HBP73 201 HEM   HGM   4.10  
         HBP74 201 HEM   HGM   3.30  
         QM8   201 HEM   HDM   3.60  
         QM8   201 HEM   QM1   5.40  
         HDM   201 HEM   QM1   3.50  
         QM1   201 HEM   HV2A  4.30  
         QM1   201 HEM   HV2T  5.40  
         QM1   201 HEM   HV2C  4.20  
         HV2A  201 HEM   HV2T  2.90  
         HV2A  201 HEM   HV2C  3.00  
         HV2A  201 HEM   HAM   3.20  
         HV2T  201 HEM   HV2C  2.50  
         HV2C  201 HEM   HAM   3.30  
         HAM   201 HEM   QM3   3.50  
         QM3   201 HEM   HV4A  4.20  
         QM3   201 HEM   HV4T  3.80  
         HBM   201 HEM   QM5   3.60  
         QM5   201 HEM   HAP61 3.50  
         QM5   201 HEM   HAP62 4.60  
         QM5   201 HEM   HBP63 4.40  
         QM5   201 HEM   HBP64 4.80  
         HGM   201 HEM   HAP61 3.80  
         HGM   201 HEM   HAP62 3.50  
         HGM   201 HEM   HBP64 4.40  
         HAP61 201 HEM   HBP63 2.90  
         HAP61 201 HEM   HBP64 2.70  
         HAP62 201 HEM   HBP63 2.80  
         HAP62 201 HEM   HBP64 2.60  
         HBP63 201 HEM   HBP64 2.50  




  Entry H atom name         Submitted Coord H atom name
    1   1H    ALA   3           H1       ALA   3   2.895  -8.487 -17.860
    2   2H    ALA   3           H2       ALA   3   2.964  -9.225 -19.361
    3   3H    ALA   3           H3       ALA   3   3.354  -7.617 -19.168
    4    HA   ALA   3           HA       ALA   3   0.740  -8.896 -18.982
    5   1HB   ALA   3           HB1      ALA   3   1.568  -6.249 -20.264
    6   2HB   ALA   3           HB2      ALA   3   1.429  -7.794 -21.134
    7   3HB   ALA   3           HB3      ALA   3  -0.006  -7.066 -20.403
    8    H    VAL   4           H        VAL   4  -0.673  -6.356 -18.502
    9    HA   VAL   4           HA       VAL   4   0.117  -5.746 -15.734
   10    HB   VAL   4           HB       VAL   4  -1.251  -4.197 -17.247
   11   1HG1  VAL   4          HG11      VAL   4  -3.654  -4.508 -17.361
   12   2HG1  VAL   4          HG12      VAL   4  -2.880  -5.931 -18.080
   13   3HG1  VAL   4          HG13      VAL   4  -3.567  -6.016 -16.443
   14   1HG2  VAL   4          HG21      VAL   4  -0.989  -3.837 -14.833
   15   2HG2  VAL   4          HG22      VAL   4  -2.405  -4.863 -14.511
   16   3HG2  VAL   4          HG23      VAL   4  -2.590  -3.346 -15.406
   17    H    LYS   5           H        LYS   5  -1.261  -6.653 -13.940
   18    HA   LYS   5           HA       LYS   5  -2.936  -8.942 -14.637
   19   1HB   LYS   5           HB2      LYS   5  -0.624  -9.869 -14.287
   20   2HB   LYS   5           HB3      LYS   5  -0.642  -9.228 -12.634
   21   1HG   LYS   5           HG2      LYS   5  -2.518 -10.677 -12.041
   22   2HG   LYS   5           HG3      LYS   5  -2.751 -11.139 -13.741
   23   1HD   LYS   5           HD2      LYS   5  -0.507 -12.190 -13.777
   24   2HD   LYS   5           HD3      LYS   5  -0.289 -11.774 -12.062
   25   1HE   LYS   5           HE2      LYS   5  -2.267 -13.163 -11.467
   26   2HE   LYS   5           HE3      LYS   5  -2.545 -13.528 -13.178
   27   1HZ   LYS   5           HZ1      LYS   5  -1.415 -15.307 -12.074
   28   2HZ   LYS   5           HZ2      LYS   5  -0.438 -14.668 -13.228
   29   3HZ   LYS   5           HZ3      LYS   5  -0.167 -14.334 -11.637
   30    H    TYR   6           H        TYR   6  -4.614  -9.126 -13.131
   31    HA   TYR   6           HA       TYR   6  -4.797  -6.890 -11.198
   32   1HB   TYR   6           HB2      TYR   6  -6.988  -8.649 -12.313
   33   2HB   TYR   6           HB3      TYR   6  -7.102  -7.211 -11.292
   34    HD1  TYR   6           HD1      TYR   6  -6.174  -8.373 -14.728
   35    HD2  TYR   6           HD2      TYR   6  -7.260  -5.045 -12.223
   36    HE1  TYR   6           HE1      TYR   6  -6.285  -6.904 -16.722
   37    HE2  TYR   6           HE2      TYR   6  -7.366  -3.573 -14.211
   38    HH   TYR   6           HH       TYR   6  -7.121  -3.439 -16.502
   39    H    TYR   7           H        TYR   7  -5.668  -7.384  -9.082
   40    HA   TYR   7           HA       TYR   7  -5.298 -10.224  -8.212
   41   1HB   TYR   7           HB2      TYR   7  -4.404  -7.766  -6.691
   42   2HB   TYR   7           HB3      TYR   7  -4.163  -9.452  -6.246
   43    HD1  TYR   7           HD1      TYR   7  -2.705  -6.605  -7.833
   44    HD2  TYR   7           HD2      TYR   7  -2.762 -10.912  -7.928
   45    HE1  TYR   7           HE1      TYR   7  -0.572  -6.611  -9.093
   46    HE2  TYR   7           HE2      TYR   7  -0.594 -10.912  -9.128
   47    HH   TYR   7           HH       TYR   7   1.165  -9.611  -9.906
   48    H    THR   8           H        THR   8  -6.782 -10.946  -6.716
   49    HA   THR   8           HA       THR   8  -9.275  -9.447  -6.509
   50    HB   THR   8           HB       THR   8 -10.059 -11.481  -5.387
   51    HG1  THR   8           HG1      THR   8  -8.035 -13.131  -5.409
   52   1HG2  THR   8          HG21      THR   8  -9.908 -11.585  -7.865
   53   2HG2  THR   8          HG22      THR   8  -8.273 -12.276  -7.741
   54   3HG2  THR   8          HG23      THR   8  -9.665 -13.167  -7.105
   55    H    LEU   9           H        LEU   9 -10.269  -8.938  -4.420
   56    HA   LEU   9           HA       LEU   9  -8.644  -7.722  -2.515
   57   1HB   LEU   9           HB2      LEU   9 -11.356  -8.058  -2.902
   58   2HB   LEU   9           HB3      LEU   9 -11.136  -8.980  -1.452
   59    HG   LEU   9           HG       LEU   9 -10.420  -6.048  -1.911
   60   1HD1  LEU   9          HD11      LEU   9 -12.346  -7.338   0.073
   61   2HD1  LEU   9          HD12      LEU   9 -12.097  -5.599  -0.197
   62   3HD1  LEU   9          HD13      LEU   9 -12.829  -6.596  -1.461
   63   1HD2  LEU   9          HD21      LEU   9  -9.914  -7.734   0.582
   64   2HD2  LEU   9          HD22      LEU   9  -8.670  -6.946  -0.415
   65   3HD2  LEU   9          HD23      LEU   9  -9.802  -5.965   0.512
   66    H    GLU  10           H        GLU  10  -9.841 -11.045  -2.699
   67    HA   GLU  10           HA       GLU  10  -8.905 -12.125  -0.287
   68   1HB   GLU  10           HB2      GLU  10 -10.401 -13.233  -1.908
   69   2HB   GLU  10           HB3      GLU  10  -9.065 -13.455  -3.015
   70   1HG   GLU  10           HG2      GLU  10  -9.541 -15.519  -1.805
   71   2HG   GLU  10           HG3      GLU  10  -7.918 -14.924  -1.470
   72    H    GLU  11           H        GLU  11  -7.262 -12.404  -3.476
   73    HA   GLU  11           HA       GLU  11  -4.830 -13.442  -2.547
   74   1HB   GLU  11           HB2      GLU  11  -5.724 -11.914  -4.977
   75   2HB   GLU  11           HB3      GLU  11  -4.007 -12.009  -4.665
   76   1HG   GLU  11           HG2      GLU  11  -4.787 -13.849  -6.141
   77   2HG   GLU  11           HG3      GLU  11  -4.006 -14.421  -4.663
   78    H    ILE  12           H        ILE  12  -5.752  -9.985  -2.960
   79    HA   ILE  12           HA       ILE  12  -3.231  -8.988  -2.052
   80    HB   ILE  12           HB       ILE  12  -5.974  -7.679  -1.940
   81   1HG1  ILE  12          HG12      ILE  12  -3.819  -7.207  -4.040
   82   2HG1  ILE  12          HG13      ILE  12  -4.990  -8.486  -4.260
   83   1HG2  ILE  12          HG21      ILE  12  -4.661  -5.539  -1.950
   84   2HG2  ILE  12          HG22      ILE  12  -4.324  -6.494  -0.506
   85   3HG2  ILE  12          HG23      ILE  12  -3.169  -6.475  -1.857
   86   1HD1  ILE  12          HD11      ILE  12  -6.848  -6.827  -3.987
   87   2HD1  ILE  12          HD12      ILE  12  -5.617  -5.542  -3.991
   88   3HD1  ILE  12          HD13      ILE  12  -5.840  -6.567  -5.407
   89    H    GLN  13           H        GLN  13  -6.245  -9.810  -0.250
   90    HA   GLN  13           HA       GLN  13  -5.483  -8.944   2.285
   91   1HB   GLN  13           HB2      GLN  13  -7.404 -10.968   1.196
   92   2HB   GLN  13           HB3      GLN  13  -6.871 -11.245   2.833
   93   1HG   GLN  13           HG2      GLN  13  -8.083  -8.658   1.811
   94   2HG   GLN  13           HG3      GLN  13  -8.975  -9.950   2.617
   95   1HE2  GLN  13          HE21      GLN  13  -9.331  -7.693   3.893
   96   2HE2  GLN  13          HE22      GLN  13  -8.324  -7.582   5.328
   97    H    LYS  14           H        LYS  14  -4.673 -12.075   0.692
   98    HA   LYS  14           HA       LYS  14  -3.412 -13.147   2.995
   99   1HB   LYS  14           HB2      LYS  14  -2.552 -13.728   0.137
  100   2HB   LYS  14           HB3      LYS  14  -2.367 -14.733   1.581
  101   1HG   LYS  14           HG2      LYS  14  -4.995 -14.585   1.709
  102   2HG   LYS  14           HG3      LYS  14  -4.856 -14.055   0.023
  103   1HD   LYS  14           HD2      LYS  14  -3.588 -16.128  -0.522
  104   2HD   LYS  14           HD3      LYS  14  -3.861 -16.691   1.153
  105   1HE   LYS  14           HE2      LYS  14  -6.328 -16.392   0.805
  106   2HE   LYS  14           HE3      LYS  14  -6.024 -15.914  -0.880
  107   1HZ   LYS  14           HZ1      LYS  14  -6.707 -18.141  -0.711
  108   2HZ   LYS  14           HZ2      LYS  14  -5.462 -18.543   0.290
  109   3HZ   LYS  14           HZ3      LYS  14  -5.165 -18.092  -1.280
  110    H    HIS  15           H        HIS  15  -2.399 -10.467   1.186
  111    HA   HIS  15           HA       HIS  15   0.473 -10.711   1.996
  112   1HB   HIS  15           HB2      HIS  15  -0.834  -9.183  -0.277
  113   2HB   HIS  15           HB3      HIS  15   0.826  -8.943   0.279
  114    HD1  HIS  15           HD1      HIS  15   2.298  -9.980  -1.578
  115    HD2  HIS  15           HD2      HIS  15  -1.174 -12.179  -0.741
  116    HE1  HIS  15           HE1      HIS  15   2.388 -12.058  -3.035
  117    H    ASN  16           H        ASN  16  -0.794 -10.234   4.074
  118    HA   ASN  16           HA       ASN  16  -0.738  -7.271   4.476
  119   1HB   ASN  16           HB2      ASN  16  -2.473  -7.367   6.081
  120   2HB   ASN  16           HB3      ASN  16  -3.020  -8.222   4.638
  121   1HD2  ASN  16          HD21      ASN  16  -3.949 -10.161   4.958
  122   2HD2  ASN  16          HD22      ASN  16  -3.670 -11.237   6.292
  123    H    ASN  17           H        ASN  17   1.065  -9.997   5.194
  124    HA   ASN  17           HA       ASN  17   1.816  -8.951   7.875
  125   1HB   ASN  17           HB2      ASN  17  -0.023 -10.725   8.017
  126   2HB   ASN  17           HB3      ASN  17   1.163 -11.863   7.371
  127   1HD2  ASN  17          HD21      ASN  17   0.622 -12.952   9.511
  128   2HD2  ASN  17          HD22      ASN  17   1.553 -12.444  10.908
  129    H    SER  18           H        SER  18   3.644  -9.923   8.737
  130    HA   SER  18           HA       SER  18   5.922 -10.034   8.748
  131   1HB   SER  18           HB2      SER  18   4.869 -12.739   7.879
  132   2HB   SER  18           HB3      SER  18   6.332 -12.457   8.839
  133    HG   SER  18           HG       SER  18   5.085 -11.719  10.513
  134    H    LYS  19           H        LYS  19   5.110  -9.844   5.541
  135    HA   LYS  19           HA       LYS  19   7.757 -10.530   4.502
  136   1HB   LYS  19           HB2      LYS  19   5.702 -12.560   4.909
  137   2HB   LYS  19           HB3      LYS  19   5.816 -12.247   3.180
  138   1HG   LYS  19           HG2      LYS  19   8.306 -12.521   3.341
  139   2HG   LYS  19           HG3      LYS  19   8.099 -13.006   5.040
  140   1HD   LYS  19           HD2      LYS  19   6.557 -14.838   4.292
  141   2HD   LYS  19           HD3      LYS  19   6.811 -14.337   2.605
  142   1HE   LYS  19           HE2      LYS  19   9.290 -14.766   2.912
  143   2HE   LYS  19           HE3      LYS  19   8.943 -15.393   4.533
  144   1HZ   LYS  19           HZ1      LYS  19   7.929 -16.501   1.994
  145   2HZ   LYS  19           HZ2      LYS  19   9.115 -17.149   2.928
  146   3HZ   LYS  19           HZ3      LYS  19   7.571 -17.088   3.491
  147    H    SER  20           H        SER  20   4.260 -10.140   3.757
  148    HA   SER  20           HA       SER  20   5.006  -8.430   1.404
  149   1HB   SER  20           HB2      SER  20   2.878 -10.578   1.450
  150   2HB   SER  20           HB3      SER  20   3.319  -9.470   0.131
  151    HG   SER  20           HG       SER  20   5.473 -10.415   0.286
  152    H    THR  21           H        THR  21   4.467  -6.503   2.301
  153    HA   THR  21           HA       THR  21   1.711  -6.019   3.306
  154    HB   THR  21           HB       THR  21   4.047  -4.140   2.842
  155    HG1  THR  21           HG1      THR  21   4.517  -5.751   4.365
  156   1HG2  THR  21          HG21      THR  21   2.906  -2.450   3.776
  157   2HG2  THR  21          HG22      THR  21   1.473  -3.337   3.240
  158   3HG2  THR  21          HG23      THR  21   2.061  -3.499   4.913
  159    H    TRP  22           H        TRP  22   0.493  -6.497   1.367
  160    HA   TRP  22           HA       TRP  22   0.879  -4.576  -0.878
  161   1HB   TRP  22           HB2      TRP  22  -0.914  -7.000  -0.600
  162   2HB   TRP  22           HB3      TRP  22  -0.934  -5.860  -1.927
  163    HD1  TRP  22           HD1      TRP  22   2.595  -6.541  -1.099
  164    HE1  TRP  22           HE1      TRP  22   3.655  -7.930  -2.879
  165    HE3  TRP  22           HE3      TRP  22  -1.670  -8.089  -3.468
  166    HZ2  TRP  22           HZ2      TRP  22   2.765  -9.649  -5.096
  167    HZ3  TRP  22           HZ3      TRP  22  -1.535  -9.635  -5.391
  168    HH2  TRP  22           HH2      TRP  22   0.675 -10.408  -6.231
  169    H    LEU  23           H        LEU  23  -1.228  -3.518  -1.529
  170    HA   LEU  23           HA       LEU  23  -3.489  -3.507   0.167
  171   1HB   LEU  23           HB2      LEU  23  -3.273  -1.052   0.900
  172   2HB   LEU  23           HB3      LEU  23  -2.436  -2.288   1.796
  173    HG   LEU  23           HG       LEU  23  -0.330  -1.697   0.364
  174   1HD1  LEU  23          HD11      LEU  23  -1.877   0.894   0.131
  175   2HD1  LEU  23          HD12      LEU  23  -0.243   0.581  -0.452
  176   3HD1  LEU  23          HD13      LEU  23  -1.616  -0.185  -1.262
  177   1HD2  LEU  23          HD21      LEU  23  -1.543   0.175   2.411
  178   2HD2  LEU  23          HD22      LEU  23  -0.504  -1.233   2.737
  179   3HD2  LEU  23          HD23      LEU  23   0.167   0.182   1.892
  180    H    ILE  24           H        ILE  24  -4.995  -1.735  -0.500
  181    HA   ILE  24           HA       ILE  24  -4.772  -1.256  -3.445
  182    HB   ILE  24           HB       ILE  24  -7.179  -1.692  -1.656
  183   1HG1  ILE  24          HG12      ILE  24  -6.505  -3.260  -4.150
  184   2HG1  ILE  24          HG13      ILE  24  -5.726  -3.661  -2.617
  185   1HG2  ILE  24          HG21      ILE  24  -7.014  -0.878  -4.583
  186   2HG2  ILE  24          HG22      ILE  24  -8.498  -1.474  -3.814
  187   3HG2  ILE  24          HG23      ILE  24  -7.783   0.038  -3.268
  188   1HD1  ILE  24          HD11      ILE  24  -7.778  -5.015  -2.889
  189   2HD1  ILE  24          HD12      ILE  24  -7.872  -3.954  -1.482
  190   3HD1  ILE  24          HD13      ILE  24  -8.755  -3.540  -2.955
  191    H    LEU  25           H        LEU  25  -4.437   0.839  -3.909
  192    HA   LEU  25           HA       LEU  25  -5.808   2.967  -2.306
  193   1HB   LEU  25           HB2      LEU  25  -3.076   2.896  -3.614
  194   2HB   LEU  25           HB3      LEU  25  -3.974   4.391  -3.405
  195    HG   LEU  25           HG       LEU  25  -3.518   4.687  -1.329
  196   1HD1  LEU  25          HD11      LEU  25  -3.186   2.965   0.379
  197   2HD1  LEU  25          HD12      LEU  25  -4.757   2.955  -0.438
  198   3HD1  LEU  25          HD13      LEU  25  -3.542   1.736  -0.876
  199   1HD2  LEU  25          HD21      LEU  25  -1.241   3.956  -0.741
  200   2HD2  LEU  25          HD22      LEU  25  -1.309   2.691  -1.981
  201   3HD2  LEU  25          HD23      LEU  25  -1.372   4.409  -2.451
  202    H    HIS  26           H        HIS  26  -7.502   3.572  -3.497
  203    HA   HIS  26           HA       HIS  26  -8.801   4.144  -5.249
  204   1HB   HIS  26           HB2      HIS  26  -6.276   4.951  -6.694
  205   2HB   HIS  26           HB3      HIS  26  -7.910   5.566  -6.949
  206    HD1  HIS  26           HD1      HIS  26  -8.810   7.320  -4.963
  207    HD2  HIS  26           HD2      HIS  26  -4.851   5.945  -4.779
  208    HE1  HIS  26           HE1      HIS  26  -7.589   8.855  -3.335
  209    H    TYR  27           H        TYR  27  -8.400   1.481  -5.167
  210    HA   TYR  27           HA       TYR  27  -8.645  -0.451  -6.283
  211   1HB   TYR  27           HB2      TYR  27  -8.989   1.108  -8.850
  212   2HB   TYR  27           HB3      TYR  27  -9.582  -0.497  -8.464
  213    HD1  TYR  27           HD1      TYR  27 -10.806   0.003  -5.717
  214    HD2  TYR  27           HD2      TYR  27 -11.013   2.188  -9.438
  215    HE1  TYR  27           HE1      TYR  27 -13.059   0.765  -5.138
  216    HE2  TYR  27           HE2      TYR  27 -13.277   2.988  -8.825
  217    HH   TYR  27           HH       TYR  27 -14.898   2.010  -5.800
  218    H    LYS  28           H        LYS  28  -5.868   1.202  -6.493
  219    HA   LYS  28           HA       LYS  28  -4.622  -0.638  -8.490
  220   1HB   LYS  28           HB2      LYS  28  -3.847   2.123  -7.530
  221   2HB   LYS  28           HB3      LYS  28  -2.820   1.080  -8.528
  222   1HG   LYS  28           HG2      LYS  28  -4.465   1.032 -10.298
  223   2HG   LYS  28           HG3      LYS  28  -5.675   1.852  -9.291
  224   1HD   LYS  28           HD2      LYS  28  -4.193   3.851  -9.180
  225   2HD   LYS  28           HD3      LYS  28  -3.097   3.089 -10.340
  226   1HE   LYS  28           HE2      LYS  28  -6.071   3.735 -10.775
  227   2HE   LYS  28           HE3      LYS  28  -4.716   4.674 -11.415
  228   1HZ   LYS  28           HZ1      LYS  28  -5.582   3.217 -13.086
  229   2HZ   LYS  28           HZ2      LYS  28  -4.086   2.664 -12.690
  230   3HZ   LYS  28           HZ3      LYS  28  -5.446   1.897 -12.187
  231    H    VAL  29           H        VAL  29  -3.105  -2.074  -7.787
  232    HA   VAL  29           HA       VAL  29  -2.892  -2.330  -4.877
  233    HB   VAL  29           HB       VAL  29  -1.989  -4.341  -6.930
  234   1HG1  VAL  29          HG11      VAL  29  -3.036  -4.657  -4.075
  235   2HG1  VAL  29          HG12      VAL  29  -2.271  -5.895  -5.095
  236   3HG1  VAL  29          HG13      VAL  29  -1.315  -4.546  -4.458
  237   1HG2  VAL  29          HG21      VAL  29  -4.763  -3.942  -5.746
  238   2HG2  VAL  29          HG22      VAL  29  -4.300  -3.894  -7.461
  239   3HG2  VAL  29          HG23      VAL  29  -4.210  -5.415  -6.575
  240    H    TYR  30           H        TYR  30  -1.039  -2.044  -3.797
  241    HA   TYR  30           HA       TYR  30   1.510  -1.518  -5.297
  242   1HB   TYR  30           HB2      TYR  30   0.292  -0.137  -2.879
  243   2HB   TYR  30           HB3      TYR  30   1.914   0.158  -3.478
  244    HD1  TYR  30           HD1      TYR  30   2.230   1.142  -5.778
  245    HD2  TYR  30           HD2      TYR  30  -1.680   0.755  -4.038
  246    HE1  TYR  30           HE1      TYR  30   1.324   2.823  -7.389
  247    HE2  TYR  30           HE2      TYR  30  -2.554   2.433  -5.663
  248    HH   TYR  30           HH       TYR  30  -0.303   4.570  -7.296
  249    H    ASP  31           H        ASP  31   3.074  -2.964  -4.732
  250    HA   ASP  31           HA       ASP  31   3.023  -4.250  -2.033
  251   1HB   ASP  31           HB2      ASP  31   3.540  -5.716  -3.998
  252   2HB   ASP  31           HB3      ASP  31   4.961  -4.723  -4.333
  253    H    LEU  32           H        LEU  32   3.989  -2.991  -0.503
  254    HA   LEU  32           HA       LEU  32   6.381  -1.389  -1.281
  255   1HB   LEU  32           HB2      LEU  32   4.428  -0.708   0.891
  256   2HB   LEU  32           HB3      LEU  32   5.720   0.302   0.317
  257    HG   LEU  32           HG       LEU  32   3.944  -0.338  -1.935
  258   1HD1  LEU  32          HD11      LEU  32   2.669   1.121   0.402
  259   2HD1  LEU  32          HD12      LEU  32   1.965   0.799  -1.204
  260   3HD1  LEU  32          HD13      LEU  32   2.274  -0.539  -0.101
  261   1HD2  LEU  32          HD21      LEU  32   4.148   1.969  -2.348
  262   2HD2  LEU  32          HD22      LEU  32   4.660   2.305  -0.667
  263   3HD2  LEU  32          HD23      LEU  32   5.712   1.389  -1.764
  264    H    THR  33           H        THR  33   6.024  -4.217  -0.297
  265    HA   THR  33           HA       THR  33   6.261  -4.255   2.508
  266    HB   THR  33           HB       THR  33   5.664  -6.095   0.756
  267    HG1  THR  33           HG1      THR  33   6.783  -7.514   2.584
  268   1HG2  THR  33          HG21      THR  33   8.586  -6.835   1.176
  269   2HG2  THR  33          HG22      THR  33   7.336  -7.755   0.318
  270   3HG2  THR  33          HG23      THR  33   7.888  -6.216  -0.344
  271    H    LYS  34           H        LYS  34   8.752  -4.022   0.032
  272    HA   LYS  34           HA       LYS  34  10.918  -4.283   1.990
  273   1HB   LYS  34           HB2      LYS  34  10.757  -4.864  -0.659
  274   2HB   LYS  34           HB3      LYS  34  11.456  -3.240  -0.763
  275   1HG   LYS  34           HG2      LYS  34  13.264  -3.974   0.813
  276   2HG   LYS  34           HG3      LYS  34  12.507  -5.581   0.899
  277   1HD   LYS  34           HD2      LYS  34  12.768  -5.778  -1.606
  278   2HD   LYS  34           HD3      LYS  34  13.682  -4.252  -1.576
  279   1HE   LYS  34           HE2      LYS  34  15.315  -5.311   0.027
  280   2HE   LYS  34           HE3      LYS  34  14.405  -6.828  -0.074
  281   1HZ   LYS  34           HZ1      LYS  34  15.782  -5.502  -2.315
  282   2HZ   LYS  34           HZ2      LYS  34  16.292  -6.849  -1.522
  283   3HZ   LYS  34           HZ3      LYS  34  14.918  -6.901  -2.425
  284    H    PHE  35           H        PHE  35   8.727  -1.857   1.360
  285    HA   PHE  35           HA       PHE  35  10.633   0.417   1.598
  286   1HB   PHE  35           HB2      PHE  35   8.705   0.104  -0.251
  287   2HB   PHE  35           HB3      PHE  35   7.696   0.576   1.067
  288    HD1  PHE  35           HD1      PHE  35   6.975   2.812   0.841
  289    HD2  PHE  35           HD2      PHE  35  11.026   1.778  -0.214
  290    HE1  PHE  35           HE1      PHE  35   7.466   5.191   0.351
  291    HE2  PHE  35           HE2      PHE  35  11.527   4.145  -0.652
  292    HZ   PHE  35           HZ       PHE  35   9.748   5.872  -0.381
  293    H    LEU  36           H        LEU  36   8.803  -1.648   3.587
  294    HA   LEU  36           HA       LEU  36   7.229  -0.023   5.147
  295   1HB   LEU  36           HB2      LEU  36   8.987  -2.406   5.832
  296   2HB   LEU  36           HB3      LEU  36   7.890  -1.708   7.008
  297    HG   LEU  36           HG       LEU  36   6.975  -2.739   4.294
  298   1HD1  LEU  36          HD11      LEU  36   6.248  -4.748   5.537
  299   2HD1  LEU  36          HD12      LEU  36   7.990  -4.516   5.746
  300   3HD1  LEU  36          HD13      LEU  36   6.875  -4.062   7.052
  301   1HD2  LEU  36          HD21      LEU  36   4.742  -2.782   5.443
  302   2HD2  LEU  36          HD22      LEU  36   5.457  -1.918   6.813
  303   3HD2  LEU  36          HD23      LEU  36   5.378  -1.158   5.207
  304    H    GLU  37           H        GLU  37  10.643  -0.783   5.992
  305    HA   GLU  37           HA       GLU  37  10.843   1.144   8.080
  306   1HB   GLU  37           HB2      GLU  37  12.946  -0.107   6.285
  307   2HB   GLU  37           HB3      GLU  37  13.307   0.856   7.719
  308   1HG   GLU  37           HG2      GLU  37  12.092  -0.736   9.148
  309   2HG   GLU  37           HG3      GLU  37  11.685  -1.738   7.745
  310    H    GLU  38           H        GLU  38  11.468   1.331   4.595
  311    HA   GLU  38           HA       GLU  38  12.869   3.794   4.548
  312   1HB   GLU  38           HB2      GLU  38  11.248   2.376   2.417
  313   2HB   GLU  38           HB3      GLU  38  12.419   3.620   2.101
  314   1HG   GLU  38           HG2      GLU  38  14.042   2.002   3.503
  315   2HG   GLU  38           HG3      GLU  38  12.892   0.770   2.960
  316    H    HIS  39           HN       HIS  39   9.452   2.996   4.318
  317    HA   HIS  39           HA       HIS  39   8.412   5.368   3.283
  318   1HB   HIS  39           HB2      HIS  39   7.135   3.347   3.357
  319   2HB   HIS  39           HB3      HIS  39   7.247   3.260   5.116
  320    HD1  HIS  39           HND      HIS  39   5.087   4.026   6.286
  321    HD2  HIS  39           HD       HIS  39   5.777   5.806   2.519
  322    HE1  HIS  39           HE       HIS  39   3.071   5.479   5.781
  323    HA   PRO  40           HA       PRO  40   9.109   7.768   7.109
  324   1HB   PRO  40           HB2      PRO  40   8.944  10.280   6.159
  325   2HB   PRO  40           HB3      PRO  40  10.272   9.193   5.668
  326   1HG   PRO  40           HG2      PRO  40   7.688   9.701   4.181
  327   2HG   PRO  40           HG3      PRO  40   9.348   9.844   3.529
  328   1HD   PRO  40           HD2      PRO  40   7.822   7.584   3.235
  329   2HD   PRO  40           HD3      PRO  40   9.597   7.496   3.448
  330    H    GLY  41           H        GLY  41   6.774   6.422   6.937
  331   1HA   GLY  41           HA1      GLY  41   5.042   8.259   8.454
  332   2HA   GLY  41           HA2      GLY  41   4.292   7.299   7.160
  333    H    GLY  42           H        GLY  42   7.007   5.677   8.528
  334   1HA   GLY  42           HA1      GLY  42   7.217   4.148  10.220
  335   2HA   GLY  42           HA2      GLY  42   5.529   4.359  10.701
  336    H    GLU  43           H        GLU  43   7.045   1.893  10.245
  337    HA   GLU  43           HA       GLU  43   5.913   0.591   7.924
  338   1HB   GLU  43           HB2      GLU  43   6.847  -1.404   8.845
  339   2HB   GLU  43           HB3      GLU  43   8.035  -0.104   8.890
  340   1HG   GLU  43           HG2      GLU  43   8.449  -0.780  10.979
  341   2HG   GLU  43           HG3      GLU  43   6.958  -0.017  11.484
  342    H    ALA  44           H        ALA  44   5.169   0.808  11.386
  343    HA   ALA  44           HA       ALA  44   3.300  -1.156  11.670
  344   1HB   ALA  44           HB1      ALA  44   3.270   1.587  13.009
  345   2HB   ALA  44           HB2      ALA  44   2.429   0.134  13.590
  346   3HB   ALA  44           HB3      ALA  44   4.202   0.166  13.533
  347    H    VAL  45           H        VAL  45   2.573   2.245  10.684
  348    HA   VAL  45           HA       VAL  45  -0.224   1.716  10.550
  349    HB   VAL  45           HB       VAL  45   0.976   3.950  10.862
  350   1HG1  VAL  45          HG11      VAL  45   0.833   4.050   7.821
  351   2HG1  VAL  45          HG12      VAL  45   1.339   5.329   8.933
  352   3HG1  VAL  45          HG13      VAL  45   2.331   3.873   8.764
  353   1HG2  VAL  45          HG21      VAL  45  -1.486   3.570   9.156
  354   2HG2  VAL  45          HG22      VAL  45  -1.385   3.803  10.901
  355   3HG2  VAL  45          HG23      VAL  45  -0.986   5.146   9.816
  356    H    LEU  46           H        LEU  46   2.337   1.730   7.998
  357    HA   LEU  46           HA       LEU  46   0.654   1.072   5.810
  358   1HB   LEU  46           HB2      LEU  46   3.559   0.670   6.510
  359   2HB   LEU  46           HB3      LEU  46   2.905  -0.356   5.242
  360    HG   LEU  46           HG       LEU  46   2.808   2.679   5.173
  361   1HD1  LEU  46          HD11      LEU  46   4.598   2.408   3.461
  362   2HD1  LEU  46          HD12      LEU  46   5.125   1.762   5.030
  363   3HD1  LEU  46          HD13      LEU  46   4.609   0.661   3.738
  364   1HD2  LEU  46          HD21      LEU  46   1.019   1.702   3.777
  365   2HD2  LEU  46          HD22      LEU  46   2.168   0.529   3.097
  366   3HD2  LEU  46          HD23      LEU  46   2.326   2.258   2.733
  367    H    ARG  47           H        ARG  47   2.139  -0.963   8.317
  368    HA   ARG  47           HA       ARG  47   1.499  -3.492   7.169
  369   1HB   ARG  47           HB2      ARG  47   3.188  -2.902   9.034
  370   2HB   ARG  47           HB3      ARG  47   1.810  -2.826  10.120
  371   1HG   ARG  47           HG2      ARG  47   2.578  -4.939  10.448
  372   2HG   ARG  47           HG3      ARG  47   1.244  -5.236   9.337
  373   1HD   ARG  47           HD2      ARG  47   2.626  -5.909   7.628
  374   2HD   ARG  47           HD3      ARG  47   3.904  -4.762   7.999
  375    HE   ARG  47           HE       ARG  47   3.644  -7.475   8.955
  376   1HH1  ARG  47          HH11      ARG  47   6.182  -7.224  11.378
  377   2HH1  ARG  47          HH12      ARG  47   5.062  -8.291  10.583
  378   1HH2  ARG  47          HH21      ARG  47   6.125  -4.876  10.966
  379   2HH2  ARG  47          HH22      ARG  47   5.026  -4.239   9.883
  380    H    ALA  48           H        ALA  48  -0.051  -1.468   9.650
  381    HA   ALA  48           HA       ALA  48  -2.193  -3.142  10.371
  382   1HB   ALA  48           HB1      ALA  48  -1.938  -0.106  10.313
  383   2HB   ALA  48           HB2      ALA  48  -3.159  -1.014  11.245
  384   3HB   ALA  48           HB3      ALA  48  -1.426  -1.175  11.628
  385    H    GLN  49           H        GLN  49  -1.933  -0.646   7.817
  386    HA   GLN  49           HA       GLN  49  -4.674  -1.054   6.879
  387   1HB   GLN  49           HB2      GLN  49  -2.228   0.557   6.088
  388   2HB   GLN  49           HB3      GLN  49  -3.685   0.569   5.104
  389   1HG   GLN  49           HG2      GLN  49  -3.547   1.424   8.020
  390   2HG   GLN  49           HG3      GLN  49  -3.683   2.483   6.606
  391   1HE2  GLN  49          HE21      GLN  49  -5.554   2.047   8.972
  392   2HE2  GLN  49          HE22      GLN  49  -7.092   1.727   8.185
  393    H    ALA  50           H        ALA  50  -1.805  -2.838   6.410
  394    HA   ALA  50           HA       ALA  50  -1.896  -3.235   3.627
  395   1HB   ALA  50           HB1      ALA  50  -0.425  -5.079   3.988
  396   2HB   ALA  50           HB2      ALA  50  -0.040  -3.841   5.188
  397   3HB   ALA  50           HB3      ALA  50  -0.967  -5.266   5.678
  398    H    GLY  51           H        GLY  51  -2.678  -5.035   2.392
  399   1HA   GLY  51           HA1      GLY  51  -3.798  -7.010   2.002
  400   2HA   GLY  51           HA2      GLY  51  -4.459  -7.010   3.640
  401    H    GLY  52           H        GLY  52  -5.145  -3.948   2.145
  402   1HA   GLY  52           HA1      GLY  52  -7.477  -4.829   0.697
  403   2HA   GLY  52           HA2      GLY  52  -7.887  -4.412   2.375
  404    H    ASP  53           H        ASP  53  -9.206  -2.721   1.470
  405    HA   ASP  53           HA       ASP  53  -8.158  -0.544  -0.040
  406   1HB   ASP  53           HB2      ASP  53 -10.575  -0.877   0.125
  407   2HB   ASP  53           HB3      ASP  53 -10.510  -0.651   1.889
  408    H    ALA  54           H        ALA  54  -6.537   0.691   0.608
  409    HA   ALA  54           HA       ALA  54  -6.672   1.877   3.363
  410   1HB   ALA  54           HB1      ALA  54  -4.177   1.356   1.703
  411   2HB   ALA  54           HB2      ALA  54  -4.259   2.215   3.260
  412   3HB   ALA  54           HB3      ALA  54  -4.656   0.470   3.154
  413    H    THR  55           H        THR  55  -7.868   2.458   0.506
  414    HA   THR  55           HA       THR  55  -6.438   4.618  -0.619
  415    HB   THR  55           HB       THR  55  -9.466   4.156  -0.644
  416    HG1  THR  55           HG1      THR  55  -8.587   2.345  -1.344
  417   1HG2  THR  55          HG21      THR  55  -7.546   5.578  -2.520
  418   2HG2  THR  55          HG22      THR  55  -9.263   5.258  -2.877
  419   3HG2  THR  55          HG23      THR  55  -8.820   6.350  -1.552
  420    H    ALA  56           H        ALA  56  -9.300   4.641   1.531
  421    HA   ALA  56           HA       ALA  56  -9.419   7.430   1.898
  422   1HB   ALA  56           HB1      ALA  56 -10.790   6.901   3.892
  423   2HB   ALA  56           HB2      ALA  56 -11.250   5.885   2.511
  424   3HB   ALA  56           HB3      ALA  56 -10.260   5.205   3.823
  425    H    ASN  57           H        ASN  57  -7.588   4.967   3.734
  426    HA   ASN  57           HA       ASN  57  -6.627   6.788   5.727
  427   1HB   ASN  57           HB2      ASN  57  -6.306   4.001   5.126
  428   2HB   ASN  57           HB3      ASN  57  -4.686   4.684   5.144
  429   1HD2  ASN  57          HD21      ASN  57  -7.770   4.987   7.030
  430   2HD2  ASN  57          HD22      ASN  57  -6.976   4.916   8.594
  431    H    PHE  58           H        PHE  58  -5.134   5.623   2.694
  432    HA   PHE  58           HA       PHE  58  -2.788   7.139   2.712
  433   1HB   PHE  58           HB2      PHE  58  -3.239   5.371   1.126
  434   2HB   PHE  58           HB3      PHE  58  -4.550   6.270   0.396
  435    HD1  PHE  58           HD1      PHE  58  -0.862   6.373   0.963
  436    HD2  PHE  58           HD2      PHE  58  -4.172   7.715  -1.449
  437    HE1  PHE  58           HE1      PHE  58   0.725   7.186  -0.761
  438    HE2  PHE  58           HE2      PHE  58  -2.593   8.511  -3.172
  439    HZ   PHE  58           HZ       PHE  58  -0.133   8.252  -2.837
  440    H    GLU  59           H        GLU  59  -5.966   8.148   1.236
  441    HA   GLU  59           HA       GLU  59  -4.895  10.740   0.589
  442   1HB   GLU  59           HB2      GLU  59  -7.149  11.344  -0.061
  443   2HB   GLU  59           HB3      GLU  59  -6.520   9.884  -0.824
  444   1HG   GLU  59           HG2      GLU  59  -7.961   8.481   0.426
  445   2HG   GLU  59           HG3      GLU  59  -8.496   9.804   1.479
  446    H    ALA  60           H        ALA  60  -6.892   9.550   3.233
  447    HA   ALA  60           HA       ALA  60  -7.479  11.997   4.517
  448   1HB   ALA  60           HB1      ALA  60  -7.611  10.707   6.627
  449   2HB   ALA  60           HB2      ALA  60  -8.474   9.915   5.301
  450   3HB   ALA  60           HB3      ALA  60  -6.878   9.310   5.821
  451    H    VAL  61           H        VAL  61  -4.552   9.910   4.884
  452    HA   VAL  61           HA       VAL  61  -3.120  11.792   6.550
  453    HB   VAL  61           HB       VAL  61  -2.151   9.667   4.591
  454   1HG1  VAL  61          HG11      VAL  61   0.025   9.889   5.639
  455   2HG1  VAL  61          HG12      VAL  61  -0.394  11.437   4.948
  456   3HG1  VAL  61          HG13      VAL  61  -0.554  11.197   6.695
  457   1HG2  VAL  61          HG21      VAL  61  -2.261   9.702   7.645
  458   2HG2  VAL  61          HG22      VAL  61  -3.391   8.815   6.615
  459   3HG2  VAL  61          HG23      VAL  61  -1.680   8.372   6.624
  460    H    GLY  62           H        GLY  62  -3.161  11.202   3.003
  461   1HA   GLY  62           HA1      GLY  62  -3.108  12.858   1.338
  462   2HA   GLY  62           HA2      GLY  62  -2.519  14.072   2.485
  463    H    HIS  63           HN       HIS  63  -1.417  13.083  -0.170
  464    HA   HIS  63           HA       HIS  63   1.344  12.415   0.637
  465   1HB   HIS  63           HB2      HIS  63  -0.586  10.628  -0.889
  466   2HB   HIS  63           HB3      HIS  63   1.148  10.550  -1.171
  467    HD1  HIS  63           HND      HIS  63  -1.369   9.744   1.684
  468    HD2  HIS  63           HD       HIS  63   2.669   9.359   0.548
  469    HE1  HIS  63           HE       HIS  63  -0.302   8.151   3.331
  470    H    SER  64           H        SER  64   2.719  13.492  -0.633
  471    HA   SER  64           HA       SER  64   1.752  15.469  -2.392
  472   1HB   SER  64           HB2      SER  64   4.608  14.442  -2.039
  473   2HB   SER  64           HB3      SER  64   4.122  16.033  -2.665
  474    HG   SER  64           HG       SER  64   3.940  14.982  -0.063
  475    H    THR  65           H        THR  65   2.895  15.869  -4.638
  476    HA   THR  65           HA       THR  65   2.000  14.020  -6.583
  477    HB   THR  65           HB       THR  65   3.788  15.462  -7.921
  478    HG1  THR  65           HG1      THR  65   4.429  17.294  -6.725
  479   1HG2  THR  65          HG21      THR  65   1.476  16.827  -6.456
  480   2HG2  THR  65          HG22      THR  65   2.291  17.436  -7.912
  481   3HG2  THR  65          HG23      THR  65   1.359  15.930  -7.988
  482    H    ASP  66           H        ASP  66   5.285  14.730  -5.367
  483    HA   ASP  66           HA       ASP  66   6.794  12.730  -6.583
  484   1HB   ASP  66           HB2      ASP  66   7.636  14.425  -4.906
  485   2HB   ASP  66           HB3      ASP  66   6.842  13.568  -3.602
  486    H    ALA  67           H        ALA  67   5.096  12.417  -3.538
  487    HA   ALA  67           HA       ALA  67   5.565   9.678  -3.078
  488   1HB   ALA  67           HB1      ALA  67   3.755   9.750  -1.458
  489   2HB   ALA  67           HB2      ALA  67   4.725  11.233  -1.345
  490   3HB   ALA  67           HB3      ALA  67   3.147  11.265  -2.148
  491    H    ARG  68           H        ARG  68   2.868  11.248  -4.802
  492    HA   ARG  68           HA       ARG  68   1.338   8.876  -5.383
  493   1HB   ARG  68           HB2      ARG  68   1.562  11.641  -6.603
  494   2HB   ARG  68           HB3      ARG  68   0.542  10.404  -7.332
  495   1HG   ARG  68           HG2      ARG  68  -0.890  10.293  -5.526
  496   2HG   ARG  68           HG3      ARG  68   0.235  11.049  -4.376
  497   1HD   ARG  68           HD2      ARG  68  -0.205  13.184  -5.141
  498   2HD   ARG  68           HD3      ARG  68  -0.585  12.604  -6.786
  499    HE   ARG  68           HE       ARG  68  -2.477  11.861  -4.653
  500   1HH1  ARG  68          HH11      ARG  68  -5.097  13.512  -6.357
  501   2HH1  ARG  68          HH12      ARG  68  -4.704  12.287  -5.197
  502   1HH2  ARG  68          HH21      ARG  68  -3.352  14.651  -7.502
  503   2HH2  ARG  68          HH22      ARG  68  -1.710  14.302  -7.062
  504    H    GLU  69           H        GLU  69   4.090  10.505  -7.020
  505    HA   GLU  69           HA       GLU  69   3.879   8.748  -9.353
  506   1HB   GLU  69           HB2      GLU  69   5.619  10.964  -8.394
  507   2HB   GLU  69           HB3      GLU  69   6.204  10.008  -9.736
  508   1HG   GLU  69           HG2      GLU  69   3.478  11.416  -9.585
  509   2HG   GLU  69           HG3      GLU  69   4.888  12.001 -10.461
  510    H    LEU  70           H        LEU  70   5.797   8.942  -6.453
  511    HA   LEU  70           HA       LEU  70   7.562   6.840  -6.821
  512   1HB   LEU  70           HB2      LEU  70   7.606   8.593  -5.065
  513   2HB   LEU  70           HB3      LEU  70   6.244   7.797  -4.283
  514    HG   LEU  70           HG       LEU  70   7.492   6.409  -3.149
  515   1HD1  LEU  70          HD11      LEU  70   9.400   5.132  -4.052
  516   2HD1  LEU  70          HD12      LEU  70   7.841   4.968  -4.891
  517   3HD1  LEU  70          HD13      LEU  70   9.156   5.948  -5.614
  518   1HD2  LEU  70          HD21      LEU  70   9.796   8.119  -4.156
  519   2HD2  LEU  70          HD22      LEU  70   8.698   8.537  -2.822
  520   3HD2  LEU  70          HD23      LEU  70   9.775   7.135  -2.678
  521    H    SER  71           H        SER  71   4.388   6.813  -5.181
  522    HA   SER  71           HA       SER  71   3.915   4.166  -4.835
  523   1HB   SER  71           HB2      SER  71   1.685   4.418  -4.854
  524   2HB   SER  71           HB3      SER  71   2.201   6.084  -4.517
  525    HG   SER  71           HG       SER  71   1.694   6.499  -6.724
  526    H    LYS  72           H        LYS  72   3.497   5.726  -8.079
  527    HA   LYS  72           HA       LYS  72   2.602   3.398  -9.374
  528   1HB   LYS  72           HB2      LYS  72   4.280   5.632 -10.587
  529   2HB   LYS  72           HB3      LYS  72   3.389   4.382 -11.457
  530   1HG   LYS  72           HG2      LYS  72   1.276   5.232 -10.232
  531   2HG   LYS  72           HG3      LYS  72   2.256   6.647  -9.777
  532   1HD   LYS  72           HD2      LYS  72   2.810   7.026 -12.167
  533   2HD   LYS  72           HD3      LYS  72   1.804   5.628 -12.621
  534   1HE   LYS  72           HE2      LYS  72  -0.200   6.777 -11.682
  535   2HE   LYS  72           HE3      LYS  72   0.819   8.157 -11.215
  536   1HZ   LYS  72           HZ1      LYS  72   1.339   8.534 -13.471
  537   2HZ   LYS  72           HZ2      LYS  72   0.437   7.239 -13.981
  538   3HZ   LYS  72           HZ3      LYS  72  -0.296   8.544 -13.293
  539    H    THR  73           H        THR  73   5.893   4.334  -8.453
  540    HA   THR  73           HA       THR  73   7.300   2.431 -10.097
  541    HB   THR  73           HB       THR  73   8.145   3.749  -7.475
  542    HG1  THR  73           HG1      THR  73   7.585   5.206  -9.191
  543   1HG2  THR  73          HG21      THR  73  10.435   3.433  -8.346
  544   2HG2  THR  73          HG22      THR  73   9.627   1.932  -7.878
  545   3HG2  THR  73          HG23      THR  73   9.779   2.361  -9.605
  546    H    PHE  74           H        PHE  74   5.462   2.204  -7.185
  547    HA   PHE  74           HA       PHE  74   6.363  -0.593  -6.633
  548   1HB   PHE  74           HB2      PHE  74   4.831   1.452  -4.977
  549   2HB   PHE  74           HB3      PHE  74   5.005  -0.232  -4.526
  550    HD1  PHE  74           HD1      PHE  74   7.363  -1.250  -4.396
  551    HD2  PHE  74           HD2      PHE  74   6.530   2.979  -4.205
  552    HE1  PHE  74           HE1      PHE  74   9.498  -0.885  -3.193
  553    HE2  PHE  74           HE2      PHE  74   8.601   3.306  -2.858
  554    HZ   PHE  74           HZ       PHE  74  10.126   1.398  -2.460
  555    H    ILE  75           H        ILE  75   4.186   0.802  -8.683
  556    HA   ILE  75           HA       ILE  75   1.769  -0.572  -7.877
  557    HB   ILE  75           HB       ILE  75   2.200   1.365  -9.628
  558   1HG1  ILE  75          HG12      ILE  75  -0.008  -0.693  -9.613
  559   2HG1  ILE  75          HG13      ILE  75   0.152   0.818  -8.678
  560   1HG2  ILE  75          HG21      ILE  75   3.422  -0.101 -11.260
  561   2HG2  ILE  75          HG22      ILE  75   1.913  -1.027 -11.470
  562   3HG2  ILE  75          HG23      ILE  75   2.003   0.689 -11.930
  563   1HD1  ILE  75          HD11      ILE  75  -1.390   1.210 -10.443
  564   2HD1  ILE  75          HD12      ILE  75   0.109   2.121 -10.756
  565   3HD1  ILE  75          HD13      ILE  75  -0.250   0.621 -11.664
  566    H    ILE  76           H        ILE  76   1.297  -2.700  -8.043
  567    HA   ILE  76           HA       ILE  76   3.061  -4.409  -9.787
  568    HB   ILE  76           HB       ILE  76   2.122  -6.265  -8.429
  569   1HG1  ILE  76          HG12      ILE  76   1.336  -4.105  -6.405
  570   2HG1  ILE  76          HG13      ILE  76   0.175  -4.807  -7.527
  571   1HG2  ILE  76          HG21      ILE  76   3.733  -4.164  -6.900
  572   2HG2  ILE  76          HG22      ILE  76   3.734  -5.914  -6.604
  573   3HG2  ILE  76          HG23      ILE  76   4.394  -5.278  -8.110
  574   1HD1  ILE  76          HD11      ILE  76   1.832  -6.315  -5.484
  575   2HD1  ILE  76          HD12      ILE  76   0.102  -5.969  -5.410
  576   3HD1  ILE  76          HD13      ILE  76   0.722  -7.067  -6.656
  577    H    GLY  77           H        GLY  77  -0.272  -3.260  -9.222
  578   1HA   GLY  77           HA1      GLY  77  -1.149  -3.756 -11.827
  579   2HA   GLY  77           HA2      GLY  77  -1.520  -5.203 -10.861
  580    H    GLU  78           H        GLU  78  -3.710  -4.760 -11.152
  581    HA   GLU  78           HA       GLU  78  -4.799  -2.525  -9.531
  582   1HB   GLU  78           HB2      GLU  78  -5.259  -3.146 -12.412
  583   2HB   GLU  78           HB3      GLU  78  -6.713  -2.990 -11.451
  584   1HG   GLU  78           HG2      GLU  78  -5.751  -0.810 -10.528
  585   2HG   GLU  78           HG3      GLU  78  -4.551  -0.914 -11.832
  586    H    LEU  79           H        LEU  79  -7.044  -2.766  -9.041
  587    HA   LEU  79           HA       LEU  79  -7.482  -5.193  -7.586
  588   1HB   LEU  79           HB2      LEU  79  -8.299  -2.948  -6.902
  589   2HB   LEU  79           HB3      LEU  79  -9.322  -2.895  -8.351
  590    HG   LEU  79           HG       LEU  79 -10.544  -4.915  -7.510
  591   1HD1  LEU  79          HD11      LEU  79 -10.280  -5.422  -5.036
  592   2HD1  LEU  79          HD12      LEU  79  -8.915  -5.948  -6.024
  593   3HD1  LEU  79          HD13      LEU  79  -8.793  -4.453  -5.073
  594   1HD2  LEU  79          HD21      LEU  79 -11.955  -3.406  -6.790
  595   2HD2  LEU  79          HD22      LEU  79 -11.076  -3.227  -5.258
  596   3HD2  LEU  79          HD23      LEU  79 -10.673  -2.199  -6.645
  597    H    HIS  80           H        HIS  80  -8.607  -6.984  -8.198
  598    HA   HIS  80           HA       HIS  80  -9.103  -7.598 -10.879
  599   1HB   HIS  80           HB2      HIS  80  -8.874  -9.113  -8.828
  600   2HB   HIS  80           HB3      HIS  80 -10.617  -8.932  -8.624
  601    HD1  HIS  80           HD1      HIS  80 -12.035 -10.457 -10.339
  602    HD2  HIS  80           HD2      HIS  80  -7.881 -10.374 -10.973
  603    HE1  HIS  80           HE1      HIS  80 -11.557 -12.191 -12.101
  604    HA   PRO  81           HA       PRO  81 -12.891  -5.483 -11.780
  605   1HB   PRO  81           HB2      PRO  81 -13.750  -6.861 -13.998
  606   2HB   PRO  81           HB3      PRO  81 -12.402  -5.688 -13.999
  607   1HG   PRO  81           HG2      PRO  81 -12.214  -8.704 -13.724
  608   2HG   PRO  81           HG3      PRO  81 -11.299  -7.652 -14.850
  609   1HD   PRO  81           HD2      PRO  81 -10.227  -8.473 -12.557
  610   2HD   PRO  81           HD3      PRO  81  -9.985  -6.776 -13.064
  611    H    ASP  82           H        ASP  82 -12.715  -8.673 -10.585
  612    HA   ASP  82           HA       ASP  82 -15.593  -9.240 -10.582
  613   1HB   ASP  82           HB2      ASP  82 -13.874 -11.047 -10.611
  614   2HB   ASP  82           HB3      ASP  82 -13.341 -10.514  -8.975
  615    H    ASP  83           H        ASP  83 -13.206  -7.574  -8.571
  616    HA   ASP  83           HA       ASP  83 -14.720  -7.696  -6.092
  617   1HB   ASP  83           HB2      ASP  83 -12.303  -7.469  -6.032
  618   2HB   ASP  83           HB3      ASP  83 -12.406  -5.979  -7.013
  619    H    ARG  84           H        ARG  84 -14.023  -5.181  -8.484
  620    HA   ARG  84           HA       ARG  84 -15.387  -3.154  -7.027
  621   1HB   ARG  84           HB2      ARG  84 -14.731  -1.677  -8.796
  622   2HB   ARG  84           HB3      ARG  84 -13.394  -2.784  -8.442
  623   1HG   ARG  84           HG2      ARG  84 -14.113  -4.184 -10.429
  624   2HG   ARG  84           HG3      ARG  84 -15.355  -2.985 -10.763
  625   1HD   ARG  84           HD2      ARG  84 -13.639  -2.421 -12.220
  626   2HD   ARG  84           HD3      ARG  84 -13.561  -1.223 -10.908
  627    HE   ARG  84           HE       ARG  84 -11.780  -3.397 -10.326
  628   1HH1  ARG  84          HH11      ARG  84  -8.915  -1.928 -11.907
  629   2HH1  ARG  84          HH12      ARG  84  -9.478  -3.300 -10.979
  630   1HH2  ARG  84          HH21      ARG  84 -10.414  -0.490 -12.840
  631   2HH2  ARG  84          HH22      ARG  84 -12.126  -0.612 -12.493
  632    HHA  HEM 201           HGM      HEM 201   4.635  10.879   5.076
  633    HHB  HEM 201           HDM      HEM 201   5.738   7.823  -0.500
  634    HHC  HEM 201           HAM      HEM 201   0.828   3.855   0.736
  635    HHD  HEM 201           HBM      HEM 201   0.021   6.599   6.532
  636   1HMA  HEM 201          HM81      HEM 201   7.414   9.264  -0.117
  637   2HMA  HEM 201          HM82      HEM 201   6.717  10.898  -0.179
  638   3HMA  HEM 201          HM83      HEM 201   7.959  10.494   1.015
  639   1HAA  HEM 201          HAA1      HEM 201   6.405  11.882   3.973
  640   2HAA  HEM 201          HAA2      HEM 201   6.952  12.147   2.327
  641   1HBA  HEM 201          HBA1      HEM 201   5.128  13.717   3.391
  642   2HBA  HEM 201          HBA2      HEM 201   3.997  12.433   2.954
  643   1HMB  HEM 201          HM11      HEM 201   4.866   6.637  -2.628
  644   2HMB  HEM 201          HM12      HEM 201   5.917   5.489  -1.769
  645   3HMB  HEM 201          HM13      HEM 201   4.574   4.895  -2.744
  646    HAB  HEM 201          HT2A      HEM 201   2.357   2.933  -1.333
  647   1HBB  HEM 201          HV2C      HEM 201   1.079   5.412  -2.507
  648   2HBB  HEM 201          HV2T      HEM 201   0.748   3.606  -2.886
  649   1HMC  HEM 201          HM31      HEM 201  -1.298   2.467   3.403
  650   2HMC  HEM 201          HM32      HEM 201  -2.231   3.674   2.512
  651   3HMC  HEM 201          HM33      HEM 201  -0.872   2.843   1.726
  652    HAC  HEM 201          HT4A      HEM 201  -2.383   5.634   5.333
  653   1HBC  HEM 201          HV4C      HEM 201  -0.991   3.095   6.307
  654   2HBC  HEM 201          HV4T      HEM 201  -2.236   4.166   7.202
  655   1HMD  HEM 201          HM51      HEM 201   0.678   7.567   8.444
  656   2HMD  HEM 201          HM52      HEM 201   1.781   8.766   9.106
  657   3HMD  HEM 201          HM53      HEM 201   0.303   9.294   8.282
  658   1HAD  HEM 201          HAD1      HEM 201   3.471  10.206   8.568
  659   2HAD  HEM 201          HAD2      HEM 201   4.314  10.984   7.260
  660   1HBD  HEM 201          HBD1      HEM 201   2.351  12.298   6.747
  661   2HBD  HEM 201          HBD2      HEM 201   1.468  11.482   8.046