*HEADER    VIRAL PROTEIN                           06-MAY-99   1CL4              
*TITLE     NUCLEOCAPSID PROTEIN FROM MASON-PFIZER MONKEY VIRUS (MPMV)            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GAG POLYPROTEIN;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: GAG RESIDUES 574-605 (P14 RESIDUES 49-80);                 
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: C23S;                                                      
*COMPND   7 BIOLOGICAL_UNIT: MONOMER                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MASON-PFIZER MONKEY VIRUS;                      
*SOURCE   3 GENE: NCP14;                                                         
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)/PLYSS;                           
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR: PET3D;                                     
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PT72180.MPMV;                             
*SOURCE   8 EXPRESSION_SYSTEM_GENE: NCP14_2180                                   
*KEYWDS    NUCLEOCAPSID PROTEIN, RNA BINDING PROTEIN, RETROVIRUS,                
*KEYWDS   2 VIRAL PROTEIN                                                        
*EXPDTA    NMR, 12 STRUCTURES                                                    
*AUTHOR    Y.GAO, K.KALUARACHCHI, D.P.GIEDROC                                    
*REVDAT   1   11-MAY-99 1CL4    0                                                
 *Distance restraints

 assign ( resid      24     and name    hb1    ) ( resid     24     and name    hb2        )        2.8        1        0.7
 assign ( resid      24     and name     HN    ) ( resid     24     and name    HB2        )        3.5       1.7       1.5
 assign ( resid      25     and name    hb1    ) ( resid     25     and name    hb2        )         3        1.2       0.5
 assign ( resid      25     and name     HN    ) ( resid     25     and name    HB2        )        3.5       1.7       1.5
 assign ( resid      25     and name     ha    ) ( resid     25     and name    hb2        )        4.2       2.4       0.8
 assign ( resid      26     and name     hn    ) ( resid     25     and name     hn        )        3.8        2        1.2
 assign ( resid      26     and name    hg1    ) ( resid     26     and name    hg2        )        2.9       1.1       0.6
 assign ( resid      26     and name     ha    ) ( resid     26     and name    hg1        )        3.4       1.6       0.1
 assign ( resid      26     and name     ha    ) ( resid     26     and name    hb1        )        3.5       1.7       1.5
 assign ( resid      26     and name     HN    ) ( resid     26     and name     HA        )        3.9       2.1       1.1
 assign ( resid      26     and name     hn    ) ( resid     27     and name     hn        )        3.1       1.3       0.4
 assign ( resid      27     and name     HN    ) ( resid     24     and name    HB2        )         4        2.2        1
 assign ( resid      27     and name     HN    ) ( resid     26     and name     HA        )        3.5       1.7       1.5
 assign ( resid      27     and name    hb1    ) ( resid     27     and name    hb2        )        2.4       0.6       0.1
 assign ( resid      27     and name     ha    ) ( resid     27     and name    hb2        )        3.6       1.8       1.4
 assign ( resid      27     and name     hn    ) ( resid     28     and name     hn        )        2.9       1.1       0.6
 assign ( resid      28     and name    ha1    ) ( resid     28     and name    ha2        )        3.1       1.3       0.4
 assign ( resid      28     and name     HN    ) ( resid     28     and name    HA2        )        3.4       1.6       0.1
 assign ( resid      28     and name     HN    ) ( resid     28     and name    HA1        )        3.6       1.8       1.4
 assign ( resid      28     and name    ha1    ) ( resid     29     and name    hg1        )        3.4       1.6       0.1
 assign ( resid      29     and name    hg1    ) ( resid     26     and name    hg1        )        3.2       1.4       0.3
 assign ( resid      29     and name    hg1    ) ( resid     29     and name    hg2        )         5        3.2        0
 assign ( resid      30     and name     HN    ) ( resid     29     and name     HA        )        3.3       1.5       0.2
 assign ( resid      30     and name     ha    ) ( resid     30     and name    hb1        )        3.7       1.9       1.3
 assign ( resid      31     and name     HN    ) ( resid     30     and name    HB1        )        3.1       1.3       0.4
 assign ( resid      31     and name     HN    ) ( resid     30     and name    HB2        )        3.7       1.9       1.3
 assign ( resid      31     and name    ha1    ) ( resid     31     and name    ha2        )        2.8        1        0.7
 assign ( resid      33     and name     HN    ) ( resid     32     and name    HB*        )        3.4       1.6       1.1
 assign ( resid      33     and name     HN    ) ( resid     33     and name    HB2        )        2.8        1        0.7
 assign ( resid      33     and name    hb1    ) ( resid     33     and name    hb2        )         3        1.2       0.5
 assign ( resid      34     and name     HN    ) ( resid     34     and name    HB*        )        3.5       1.7       1.8
 assign ( resid      35     and name     HN    ) ( resid     34     and name    HB*        )        3.3       1.5       0.5
 assign ( resid      35     and name    hb1    ) ( resid     35     and name    hb2        )        2.4       0.6       0.1
 assign ( resid      35     and name     ha    ) ( resid     35     and name    hb2        )        2.9       1.1       0.6
 assign ( resid      35     and name     ha    ) ( resid     35     and name    hb1        )        2.9       1.1       0.6
 assign ( resid      35     and name     HN    ) ( resid     35     and name    HB2        )        3.1       1.3       0.4
 assign ( resid      35     and name     HN    ) ( resid     35     and name     HA        )        3.5       1.7       1.5
 assign ( resid      36     and name    hb1    ) ( resid     36     and name    hb2        )        2.3       0.5       0.2
 assign ( resid      36     and name     HN    ) ( resid     36     and name    HB2        )        3.8        2        1.2
 assign ( resid      37     and name    hb1    ) ( resid     37     and name    hb2        )        2.9       1.1       0.6
 assign ( resid      37     and name     HN    ) ( resid     37     and name    HB1        )        3.9       2.1       1.1
 assign ( resid      37     and name     HN    ) ( resid     37     and name    hb2        )         4        2.2        1
 assign ( resid      44     and name    hb1    ) ( resid     44     and name    hb2        )         2        0.2       0.5
 assign ( resid      44     and name    HD21   ) ( resid     44     and name    HB2        )        3.1       1.3       0.4
 assign ( resid      44     and name    HD21   ) ( resid     44     and name    HB1        )        3.6       1.8       1.4
 assign ( resid      44     and name    HD22   ) ( resid     44     and name    HB1        )        4.7       2.9       0.3
 assign ( resid      45     and name     ha    ) ( resid     45     and name    hb*        )        2.6       0.8       1.2
 assign ( resid      45     and name     HN    ) ( resid     45     and name    HB*        )        2.8        1         1
 assign ( resid      46     and name     HN    ) ( resid     45     and name     HA        )        2.6       0.8       0.9
 assign ( resid      46     and name     HN    ) ( resid     46     and name    HB2        )         3        1.2       0.5
 assign ( resid      46     and name     ha    ) ( resid     46     and name    hb2        )        4.9       3.1       0.1
 assign ( resid      48     and name    hb1    ) ( resid     48     and name    hb2        )         2        0.2       0.5
 assign ( resid      48     and name     ha    ) ( resid     48     and name    hb1        )        2.6       0.8       0.9
 assign ( resid      48     and name     HN    ) ( resid     48     and name     HA        )        2.7       0.9       0.8
 assign ( resid      48     and name     ha    ) ( resid     48     and name    hb2        )        2.8        1        0.7
 assign ( resid      48     and name     HN    ) ( resid     48     and name    HB2        )        3.1       1.3       0.4
 assign ( resid      48     and name     HN    ) ( resid     48     and name    HB1        )        3.8        2        1.2
 assign ( resid      48     and name     hn    ) ( resid     49     and name     hn        )        3.5       1.7       1.5
 assign ( resid      49     and name     HN    ) ( resid     48     and name     HA        )        2.7       0.9       0.8
 assign ( resid      49     and name     HN    ) ( resid     48     and name    HB1        )        5.6       3.8       -0.6
 assign ( resid      49     and name     hb    ) ( resid     49     and name    hg1*       )        2.7       0.9       1.1
 assign ( resid      49     and name     HN    ) ( resid     49     and name    HG2*       )        2.8        1         1
 assign ( resid      49     and name     hb    ) ( resid     49     and name    hg2*       )        2.9       1.1       0.9
 assign ( resid      49     and name     ha    ) ( resid     49     and name    hg1*       )        3.3       1.5       0.5
 assign ( resid      49     and name     HN    ) ( resid     49     and name     HB        )        3.4       1.6       0.1
 assign ( resid      49     and name     ha    ) ( resid     49     and name    hg2*       )        3.4       1.6       0.4
 assign ( resid      49     and name     HN    ) ( resid     49     and name    HG1*       )        4.1       2.3       1.2
 assign ( resid      49     and name     ha    ) ( resid     50     and name    hd2        )        2.8        1        0.7
 assign ( resid      49     and name     ha    ) ( resid     50     and name    hd1        )        2.9       1.1       0.6
 assign ( resid      50     and name    hd1    ) ( resid     49     and name    hg1*       )        3.5       1.7       1.8
 assign ( resid      50     and name    hd1    ) ( resid     49     and name     hb        )        5.2       3.4       -0.2
 assign ( resid      50     and name    hb1    ) ( resid     50     and name    hb2        )        2.2       0.4       0.3
 assign ( resid      50     and name    hg1    ) ( resid     50     and name    hg2        )        2.3       0.5       0.2
 assign ( resid      50     and name     ha    ) ( resid     50     and name    hb2        )        2.6       0.8       0.9
 assign ( resid      50     and name    hd1    ) ( resid     50     and name    hd2        )        2.6       0.8       0.9
 assign ( resid      50     and name    hd2    ) ( resid     50     and name    hg2        )        2.8        1        0.7
 assign ( resid      50     and name     ha    ) ( resid     50     and name    hb1        )        2.8        1        0.7
 assign ( resid      50     and name    hd1    ) ( resid     50     and name    hg2        )        2.9       1.1       0.6
 assign ( resid      50     and name    hd1    ) ( resid     50     and name    hg1        )        3.2       1.4       0.3
 assign ( resid      50     and name    hg1    ) ( resid     50     and name    hb2        )        3.9       2.1       1.1
 assign ( resid      50     and name    hd2    ) ( resid     50     and name    hg1        )        4.5       2.7       0.5
 assign ( resid      51     and name     HN    ) ( resid     50     and name     HA        )        2.4       0.6       0.1
 assign ( resid      51     and name     HN    ) ( resid     50     and name    HB1        )        3.6       1.8       1.4
 assign ( resid      51     and name     HN    ) ( resid     50     and name    HB2        )        3.6       1.8       1.4
 assign ( resid      51     and name    ha1    ) ( resid     51     and name    ha2        )        2.1       0.3       0.4
 assign ( resid      51     and name     HN    ) ( resid     51     and name    HA2        )        2.9       1.1       0.6
 assign ( resid      51     and name     HN    ) ( resid     51     and name    HA1        )        3.3       1.5       0.2
 assign ( resid      52     and name     HN    ) ( resid     51     and name    HA2        )        2.7       0.9       0.8
 assign ( resid      52     and name     HN    ) ( resid     51     and name    HA1        )         3        1.2       0.5
 assign ( resid      52     and name     HN    ) ( resid     52     and name    HB2        )        2.5       0.7        1
 assign ( resid      52     and name     ha    ) ( resid     52     and name    hd2*       )        2.6       0.8       1.2
 assign ( resid      52     and name     HN    ) ( resid     52     and name    HB1        )        2.7       0.9       0.8
 assign ( resid      52     and name     hg    ) ( resid     52     and name    hd1*       )        2.7       0.9       1.1
 assign ( resid      52     and name    hb2    ) ( resid     52     and name    hd1*       )        2.7       0.9       1.1
 assign ( resid      52     and name     ha    ) ( resid     52     and name    hb2        )        2.8        1        0.7
 assign ( resid      52     and name    hb1    ) ( resid     52     and name    hd1*       )        2.9       1.1       0.9
 assign ( resid      52     and name    hb1    ) ( resid     52     and name    hb2        )        2.9       1.1       0.6
 assign ( resid      52     and name     hg    ) ( resid     52     and name    hd2*       )         3        1.2       0.8
 assign ( resid      52     and name    hb2    ) ( resid     52     and name    hd2*       )         3        1.2       0.8
 assign ( resid      52     and name     HN    ) ( resid     52     and name     HA        )        3.4       1.6       0.1
 assign ( resid      52     and name     ha    ) ( resid     52     and name    hd1*       )        3.6       1.8       1.7
 assign ( resid      52     and name     HN    ) ( resid     52     and name    HD1*       )        3.8        2        1.5
 assign ( resid      52     and name     ha    ) ( resid     52     and name    hb1        )        3.9       2.1       1.1
 assign ( resid      52     and name     HN    ) ( resid     52     and name    HD2*       )         4        2.2       1.3
 assign ( resid      52     and name     HN    ) ( resid     52     and name     HG        )        4.1       2.3       0.9
 assign ( resid      52     and name    hb1    ) ( resid     52     and name    hd2*       )        5.2       3.4       0.1
 assign ( resid      52     and name     ha    ) ( resid     60     and name    hg*        )        3.1       1.3       1.4
 assign ( resid      53     and name     HN    ) ( resid     52     and name     HA        )        2.5       0.7        1
 assign ( resid      53     and name     HN    ) ( resid     52     and name    HD2*       )         3        1.2       0.8
 assign ( resid      53     and name     hn    ) ( resid     52     and name     hn        )        3.3       1.5       0.2
 assign ( resid      53     and name     HN    ) ( resid     52     and name     HG        )        3.4       1.6       0.1
 assign ( resid      53     and name     HN    ) ( resid     52     and name    HB2        )        3.7       1.9       1.3
 assign ( resid      53     and name     HN    ) ( resid     52     and name    HB1        )        3.9       2.1       1.1
 assign ( resid      53     and name     hn    ) ( resid     53     and name    hb2        )        2.7       0.9       0.8
 assign ( resid      53     and name     HN    ) ( resid     53     and name    HB1        )        2.7       0.9       0.8
 assign ( resid      53     and name     HN    ) ( resid     60     and name     HA        )        3.2       1.4       0.3
 assign ( resid      53     and name     hn    ) ( resid     61     and name     hn        )        3.4       1.6       0.1
 assign ( resid      54     and name    hd*    ) ( resid     54     and name    HG1        )        2.8        1        1.7
 assign ( resid      54     and name    hd*    ) ( resid     54     and name    hg2        )        2.8        1        1.7
 assign ( resid      54     and name     ha    ) ( resid     54     and name    hb1        )        2.9       1.1       0.6
 assign ( resid      54     and name    hg1    ) ( resid     54     and name    hg2        )        3.4       1.6       0.1
 assign ( resid      54     and name    hd*    ) ( resid     54     and name    HB1        )        3.8        2        2.2
 assign ( resid      54     and name     ha    ) ( resid     54     and name    hg1        )        3.8        2        1.2
 assign ( resid      55     and name     HN    ) ( resid     54     and name    HD*        )        3.7       1.9       2.3
 assign ( resid      55     and name     HN    ) ( resid     55     and name     HA        )        3.2       1.4       0.3
 assign ( resid      55     and name     HN    ) ( resid     55     and name    HB2        )        3.3       1.5       0.2
 assign ( resid      55     and name     ha    ) ( resid     55     and name    hb2        )        3.7       1.9       1.3
 assign ( resid      55     and name     ha    ) ( resid     55     and name    hg1        )        4.6       2.8       0.4
 assign ( resid      55     and name     ha    ) ( resid     55     and name    hb1        )         5        3.2        0
 assign ( resid      55     and name     hn    ) ( resid     56     and name     hn        )        2.7       0.9       0.8
 assign ( resid      56     and name     HN    ) ( resid     55     and name    HB2        )        3.7       1.9       1.3
 assign ( resid      56     and name     HN    ) ( resid     55     and name     HA        )        4.6       2.8       0.4
 assign ( resid      56     and name    hb1    ) ( resid     56     and name    hb2        )         2        0.2       0.5
 assign ( resid      56     and name     ha    ) ( resid     56     and name    hb2        )        2.9       1.1       0.6
 assign ( resid      56     and name     hn    ) ( resid     57     and name     hn        )        2.6       0.8       0.9
 assign ( resid      56     and name    hb2    ) ( resid     77     and name    hd1*       )        2.7       0.9       1.1
 assign ( resid      56     and name    hb1    ) ( resid     77     and name    hd1*       )        3.1       1.3       0.7
 assign ( resid      56     and name     ha    ) ( resid     77     and name    hd1*       )        3.8        2        1.5
 assign ( resid      57     and name     ha    ) ( resid     52     and name    hd2*       )        3.1       1.3       0.7
 assign ( resid      57     and name    hb1    ) ( resid     52     and name    hd1*       )        3.1       1.3       0.7
 assign ( resid      57     and name     ha    ) ( resid     52     and name    hd1*       )        3.1       1.3       0.7
 assign ( resid      57     and name     ha    ) ( resid     52     and name    hb2        )        3.4       1.6       1.6
 assign ( resid      57     and name     HN    ) ( resid     53     and name    HB1        )        3.4       1.6       0.1
 assign ( resid      57     and name     HN    ) ( resid     57     and name     HA        )        2.4       0.6       0.1
 assign ( resid      57     and name    hb1    ) ( resid     57     and name    hg2        )        2.5       0.7        1
 assign ( resid      57     and name     ha    ) ( resid     57     and name    hb1        )        2.8        1        0.7
 assign ( resid      57     and name     HN    ) ( resid     57     and name    HB2        )        3.4       1.6       0.1
 assign ( resid      57     and name    hb1    ) ( resid     57     and name    hb2        )        3.7       1.9       1.3
 assign ( resid      57     and name     ha    ) ( resid     77     and name    hg11       )        3.8        2        1.2
 assign ( resid      57     and name    hb1    ) ( resid     77     and name    hg11       )        4.4       2.6       0.6
 assign ( resid      58     and name     hn    ) ( resid     57     and name     hn        )        3.3       1.5       0.2
 assign ( resid      58     and name     HN    ) ( resid     57     and name     HA        )        3.5       1.7       1.5
 assign ( resid      58     and name    hb2    ) ( resid     58     and name    hg1        )        2.5       0.7        1
 assign ( resid      58     and name     ha    ) ( resid     58     and name    hb1        )        2.6       0.8       0.9
 assign ( resid      58     and name    hd*    ) ( resid     58     and name    hb2        )        3.2       1.4       1.3
 assign ( resid      58     and name    hb1    ) ( resid     58     and name    hg1        )        3.3       1.5       0.2
 assign ( resid      58     and name    hd*    ) ( resid     58     and name    hb1        )        3.3       1.5       1.2
 assign ( resid      58     and name     HN    ) ( resid     58     and name    HB2        )        3.4       1.6       0.1
 assign ( resid      58     and name     HN    ) ( resid     58     and name     HA        )        3.6       1.8       1.4
 assign ( resid      58     and name     hn    ) ( resid     59     and name     hn        )        2.7       0.9       0.8
 assign ( resid      59     and name     HN    ) ( resid     52     and name    HD2*       )         3        1.2       0.8
 assign ( resid      59     and name     HN    ) ( resid     53     and name    HB1        )        4.4       2.6       0.6
 assign ( resid      59     and name     HN    ) ( resid     58     and name    HB1        )        3.7       1.9       1.3
 assign ( resid      59     and name     HN    ) ( resid     58     and name     HA        )        3.8        2        1.2
 assign ( resid      59     and name    ha1    ) ( resid     59     and name    ha2        )        2.6       0.8       0.9
 assign ( resid      59     and name     HN    ) ( resid     59     and name    HA1        )        3.3       1.5       0.2
 assign ( resid      59     and name     HN    ) ( resid     59     and name    HA2        )        3.9       2.1       1.1
 assign ( resid      60     and name     ha    ) ( resid     52     and name     ha        )        3.1       1.3       0.4
 assign ( resid      60     and name     HN    ) ( resid     59     and name    HA2        )        3.3       1.5       0.2
 assign ( resid      60     and name     HN    ) ( resid     59     and name    HA1        )        3.5       1.7       1.5
 assign ( resid      60     and name    hb1    ) ( resid     60     and name    hb2        )        2.2       0.4       0.3
 assign ( resid      60     and name    hb2    ) ( resid     60     and name    hg*        )        2.2       0.4       1.3
 assign ( resid      60     and name    hb1    ) ( resid     60     and name    hg*        )        2.6       0.8       1.9
 assign ( resid      60     and name     ha    ) ( resid     60     and name    hb2        )        2.7       0.9       0.8
 assign ( resid      60     and name     ha    ) ( resid     60     and name    hg*        )         3        1.2       1.5
 assign ( resid      60     and name     HN    ) ( resid     60     and name    HB2        )        3.2       1.4       0.3
 assign ( resid      60     and name     HN    ) ( resid     60     and name    HB1        )        3.3       1.5       0.2
 assign ( resid      61     and name     ha    ) ( resid     50     and name    hg2        )        2.9       1.1       0.6
 assign ( resid      62     and name    hh2    ) ( resid     50     and name    HB1        )        3.5       1.7       1.5
 assign ( resid      62     and name    hh2    ) ( resid     50     and name    HB2        )        3.6       1.8       1.4
 assign ( resid      61     and name     ha    ) ( resid     50     and name    hb2        )        3.9       2.1       1.1
 assign ( resid      61     and name     HN    ) ( resid     52     and name     HA        )         4        2.2        1
 assign ( resid      61     and name     hn    ) ( resid     53     and name    hb2        )        3.4       1.6       0.1
 assign ( resid      61     and name     HN    ) ( resid     53     and name    HB1        )        4.1       2.3       0.9
 assign ( resid      61     and name     HN    ) ( resid     60     and name     HA        )        2.6       0.8       0.9
 assign ( resid      61     and name     HN    ) ( resid     60     and name    HB2        )         4        2.2        1
 assign ( resid      61     and name     ha    ) ( resid     61     and name    hb1        )        2.9       1.1       0.6
 assign ( resid      61     and name     ha    ) ( resid     61     and name    hb2        )        2.9       1.1       0.6
 assign ( resid      61     and name     HN    ) ( resid     61     and name    HB2        )        3.5       1.7       1.5
 assign ( resid      61     and name    HD2    ) ( resid     61     and name    HB1        )         4        2.2        1
 assign ( resid      61     and name    HD2    ) ( resid     66     and name    HB1        )        2.8        1        0.7
 assign ( resid      61     and name    HD2    ) ( resid     66     and name    HB2        )        3.5       1.7       1.5
 assign ( resid      62     and name     HN    ) ( resid     50     and name    HG2        )         4        2.2        1
 assign ( resid      62     and name    HE1    ) ( resid     50     and name    HG2        )        4.5       2.7       0.5
 assign ( resid      62     and name     HN    ) ( resid     61     and name    hb2        )        2.9       1.1       0.6
 assign ( resid      62     and name     HN    ) ( resid     61     and name     HA        )         3        1.2       0.5
 assign ( resid      62     and name     HN    ) ( resid     61     and name    HB1        )        3.3       1.5       0.2
 assign ( resid      62     and name    hb1    ) ( resid     61     and name    hb2        )        3.5       1.7       1.5
 assign ( resid      62     and name    he3    ) ( resid     62     and name    hz3        )        2.5       0.7       1.1
 assign ( resid      62     and name    HE1    ) ( resid     62     and name    HD1        )        2.5       0.7        1
 assign ( resid      62     and name    he1    ) ( resid     62     and name    hd1        )        2.5       0.7        1
 assign ( resid      62     and name    hb1    ) ( resid     62     and name    hb2        )        2.5       0.7        1
 assign ( resid      62     and name     HN    ) ( resid     62     and name    hb1        )        2.9       1.1       0.6
 assign ( resid      62     and name    he1    ) ( resid     62     and name    hz2        )        2.9       1.1       0.6
 assign ( resid      62     and name     hn    ) ( resid     62     and name    hd1        )        3.1       1.3       0.4
 assign ( resid      62     and name    HE1    ) ( resid     62     and name    HZ2        )        3.2       1.4       0.3
 assign ( resid      62     and name     HN    ) ( resid     62     and name    HB2        )        3.5       1.7       1.5
 assign ( resid      62     and name     HN    ) ( resid     65     and name    HB1        )         4        2.2        1
 assign ( resid      63     and name     HN    ) ( resid     62     and name    hb1        )        4.3       2.5       0.7
 assign ( resid      63     and name     HN    ) ( resid     63     and name    HB*        )         3        1.2       0.8
 assign ( resid      63     and name     hn    ) ( resid     63     and name    he3        )        3.8        2        1.2
 assign ( resid      64     and name     HN    ) ( resid     63     and name    HB*        )         4        2.2       1.3
 assign ( resid      64     and name    hb1    ) ( resid     64     and name    hb2        )        3.2       1.4       0.3
 assign ( resid      64     and name     ha    ) ( resid     64     and name    hb2        )        3.2       1.4       0.3
 assign ( resid      64     and name     ha    ) ( resid     64     and name    hb1        )        3.3       1.5       0.2
 assign ( resid      64     and name     HN    ) ( resid     64     and name    HB2        )        3.8        2        1.2
 assign ( resid      64     and name     HN    ) ( resid     64     and name     HA        )         4        2.2        1
 assign ( resid      64     and name     hn    ) ( resid     65     and name     hn        )        3.5       1.7       1.5
 assign ( resid      65     and name    hb1    ) ( resid     65     and name    hb2        )        2.6       0.8       0.9
 assign ( resid      65     and name     ha    ) ( resid     65     and name    hb1        )        2.6       0.8       0.9
 assign ( resid      65     and name     HN    ) ( resid     65     and name    HB1        )         3        1.2       0.5
 assign ( resid      65     and name     HN    ) ( resid     65     and name    HB2        )        3.1       1.3       0.4
 assign ( resid      65     and name     ha    ) ( resid     65     and name    hb2        )        3.3       1.5       0.2
 assign ( resid      65     and name     HN    ) ( resid     65     and name     HA        )        3.6       1.8       1.4
 assign ( resid      65     and name     hn    ) ( resid     66     and name     hn        )        2.6       0.8       0.9
 assign ( resid      66     and name     HN    ) ( resid     65     and name    HB2        )         4        2.2        1
 assign ( resid      66     and name     HN    ) ( resid     65     and name     HA        )         4        2.2        1
 assign ( resid      66     and name    hb1    ) ( resid     66     and name    hb2        )        2.5       0.7        1
 assign ( resid      66     and name     HN    ) ( resid     66     and name    HB1        )        2.9       1.1       0.6
 assign ( resid      66     and name     HN    ) ( resid     66     and name    HB2        )         3        1.2       0.5
 assign ( resid      66     and name     HN    ) ( resid     66     and name     HA        )        3.5       1.7       1.5
 assign ( resid      67     and name     HN    ) ( resid     66     and name     HA        )        2.9       1.1       0.6
 assign ( resid      67     and name     ha    ) ( resid     66     and name     ha        )        3.7       1.9       1.3
 assign ( resid      67     and name     ha    ) ( resid     67     and name    hb1        )        3.1       1.3       0.4
 assign ( resid      67     and name     ha    ) ( resid     68     and name    hb2        )        3.4       1.6       0.1
 assign ( resid      68     and name    hb1    ) ( resid     56     and name    hb2        )        3.4       1.6       0.1
 assign ( resid      68     and name    hb2    ) ( resid     56     and name    hb2        )        3.6       1.8       1.4
 assign ( resid      68     and name    hb1    ) ( resid     68     and name    hb2        )        3.2       1.4       0.3
 assign ( resid      68     and name     HN    ) ( resid     68     and name    HB2        )        3.2       1.4       0.3
 assign ( resid      68     and name     HN    ) ( resid     68     and name    HB1        )        3.4       1.6       0.1
 assign ( resid      68     and name     ha    ) ( resid     68     and name    hb1        )        3.8        2        1.2
 assign ( resid      68     and name     ha    ) ( resid     68     and name    hb2        )        3.9       2.1       1.1
 assign ( resid      68     and name     HN    ) ( resid     68     and name     HA        )         4        2.2        1
 assign ( resid      68     and name    hb1    ) ( resid     76     and name    hd*        )        2.4       0.6       1.1
 assign ( resid      68     and name    hb1    ) ( resid     77     and name    hd1*       )        3.5       1.7       1.8
 assign ( resid      68     and name    hb2    ) ( resid     77     and name    hd1*       )         4        2.2       1.3
 assign ( resid      70     and name     HN    ) ( resid     68     and name    HB1        )        3.6       1.8       1.4
 assign ( resid      70     and name     hb    ) ( resid     70     and name    hg2*       )        2.5       0.7       1.3
 assign ( resid      70     and name     ha    ) ( resid     70     and name    hg2*       )        3.4       1.6       0.4
 assign ( resid      70     and name     HN    ) ( resid     70     and name    HG2*       )        3.5       1.7       1.8
 assign ( resid      70     and name     ha    ) ( resid     70     and name     hb        )        3.6       1.8       1.4
 assign ( resid      70     and name     hb    ) ( resid     76     and name    hd*        )        2.3       0.5       1.2
 assign ( resid      70     and name     hb    ) ( resid     77     and name    hg12       )        4.3       2.5       0.7
 assign ( resid      71     and name     HN    ) ( resid     70     and name     HB        )        3.3       1.5       0.2
 assign ( resid      71     and name     HN    ) ( resid     70     and name    HG2*       )        3.8        2        1.5
 assign ( resid      71     and name     HN    ) ( resid     71     and name    HB2        )        2.9       1.1       0.6
 assign ( resid      72     and name     HN    ) ( resid     71     and name    HB1        )        2.9       1.1       0.6
 assign ( resid      72     and name     HN    ) ( resid     71     and name    HB2        )         3        1.2       0.5
 assign ( resid      72     and name    hb1    ) ( resid     72     and name    hb2        )        2.2       0.4       0.3
 assign ( resid      72     and name     ha    ) ( resid     72     and name    hb2        )        2.9       1.1       0.6
 assign ( resid      72     and name    HD21   ) ( resid     72     and name    HB1        )        3.1       1.3       0.4
 assign ( resid      72     and name     ha    ) ( resid     72     and name    hb1        )        3.6       1.8       1.4
 assign ( resid      72     and name    HD21   ) ( resid     72     and name    HB2        )        3.8        2        1.2
 assign ( resid      72     and name    HD22   ) ( resid     72     and name    HB1        )        3.9       2.1       1.1
 assign ( resid      73     and name    he22   ) ( resid     72     and name    hd22       )        4.2       2.4       0.8
 assign ( resid      73     and name    hb1    ) ( resid     73     and name    hb2        )        2.3       0.5       0.2
 assign ( resid      73     and name     ha    ) ( resid     73     and name    hb1        )        2.6       0.8       0.9
 assign ( resid      73     and name    he21   ) ( resid     73     and name    he22       )        2.6       0.8       0.9
 assign ( resid      73     and name     HN    ) ( resid     73     and name    HB1        )        2.8        1        0.7
 assign ( resid      73     and name     HN    ) ( resid     73     and name    HB2        )         3        1.2       0.5
 assign ( resid      73     and name     HN    ) ( resid     73     and name     HA        )        3.7       1.9       1.3
 assign ( resid      73     and name    HE21   ) ( resid     73     and name    HG2        )        4.4       2.6       0.6
 assign ( resid      73     and name    HE21   ) ( resid     73     and name    HG1        )        4.5       2.7       0.5
 assign ( resid      74     and name    ha1    ) ( resid     74     and name    ha2        )        2.3       0.5       0.2
 assign ( resid      74     and name     HN    ) ( resid     74     and name    HA2        )        2.9       1.1       0.6
 assign ( resid      74     and name     HN    ) ( resid     74     and name    HA1        )        3.2       1.4       0.3
 assign ( resid      75     and name     ha    ) ( resid     68     and name    hb1        )        2.6       0.8       0.9
 assign ( resid      75     and name     hn    ) ( resid     74     and name     hn        )        2.9       1.1       0.6
 assign ( resid      75     and name    hd21   ) ( resid     75     and name    hd22       )         2        0.2       0.5
 assign ( resid      75     and name    hb1    ) ( resid     75     and name    hb2        )        2.1       0.3       0.4
 assign ( resid      75     and name    HD21   ) ( resid     75     and name    HB1        )        2.7       0.9       0.8
 assign ( resid      75     and name     ha    ) ( resid     75     and name    hb2        )        2.9       1.1       0.6
 assign ( resid      75     and name    HD21   ) ( resid     75     and name    HB2        )        3.3       1.5       0.2
 assign ( resid      75     and name     HN    ) ( resid     75     and name    HB2        )        3.4       1.6       0.1
 assign ( resid      75     and name    HD22   ) ( resid     75     and name    HB1        )        3.6       1.8       1.4
 assign ( resid      75     and name    HD22   ) ( resid     75     and name    HB2        )        4.5       2.7       0.5
 assign ( resid      75     and name     ha    ) ( resid     76     and name    hd*        )         3        1.2       1.5
 assign ( resid      76     and name     ha    ) ( resid     70     and name    hg2*       )        3.2       1.4       0.6
 assign ( resid      76     and name    hd*    ) ( resid     75     and name    hb2        )         3        1.2       1.5
 assign ( resid      76     and name    hb1    ) ( resid     76     and name    hb2        )        2.3       0.5       0.2
 assign ( resid      76     and name     ha    ) ( resid     76     and name    hb1        )        3.3       1.5       0.2
 assign ( resid      76     and name     ha    ) ( resid     76     and name    hb2        )        4.1       2.3       0.9
 assign ( resid      76     and name    hd*    ) ( resid     77     and name    hg12       )        3.2       1.4       1.3
 assign ( resid      77     and name     ha    ) ( resid     70     and name     hb        )        2.9       1.1       0.6
 assign ( resid      77     and name     HN    ) ( resid     76     and name     HA        )         3        1.2       0.5
 assign ( resid      77     and name     ha    ) ( resid     76     and name    hd*        )        3.2       1.4       1.3
 assign ( resid      77     and name     ha    ) ( resid     77     and name    hg12       )        2.7       0.9       0.8
 assign ( resid      77     and name    hg11   ) ( resid     77     and name    hg12       )        2.7       0.9       0.8
 assign ( resid      77     and name     hb    ) ( resid     77     and name    hg12       )        2.8        1        0.7
 assign ( resid      77     and name    hg12   ) ( resid     77     and name    hd1*       )         3        1.2       0.8
 assign ( resid      77     and name     hb    ) ( resid     77     and name    hd1*       )         3        1.2       0.8
 assign ( resid      77     and name     HN    ) ( resid     77     and name     HB        )        3.1       1.3       0.4
 assign ( resid      77     and name    hg11   ) ( resid     77     and name    hd1*       )        3.2       1.4       0.6
 assign ( resid      77     and name     HN    ) ( resid     77     and name    HG12       )        3.4       1.6       0.1
 assign ( resid      77     and name     HN    ) ( resid     77     and name    HG11       )        3.7       1.9       1.3
 assign ( resid      78     and name    hb1    ) ( resid     78     and name    hb2        )        2.6       0.8       0.9
 assign ( resid      79     and name    hb1    ) ( resid     79     and name    hb2        )        2.4       0.6       0.1
 assign ( resid      80     and name     HN    ) ( resid     79     and name     HA        )        2.8        1        0.7
 assign ( resid      80     and name     ha    ) ( resid     80     and name    hb1        )        3.4       1.6       0.1
 assign ( resid      80     and name     ha    ) ( resid     80     and name    hb2        )        3.4       1.6       0.1
 assign ( resid      80     and name     HN    ) ( resid     80     and name    HB1        )        4.2       2.4       0.8
 assign ( resid      80     and name     HN    ) ( resid     80     and name    HB2        )        4.3       2.5       0.7
 assign ( resid      62     and name    hz3    ) ( resid     62     and name    he3        )        2.5       0.7        0
 assign ( resid      61     and name    hd2    ) ( resid     61     and name    hb2        )        2.5       0.7        0
 assign ( resid      32     and name    he1    ) ( resid     29     and name    hb1        )        2.7       0.9       0.8
 assign ( resid      62     and name    hd1    ) ( resid     62     and name    hb2        )        2.8        1        0.7
 assign ( resid      61     and name    hd2    ) ( resid     66     and name     ha        )        2.8        1        0.7
 assign ( resid      62     and name    he3    ) ( resid     62     and name     ha        )        2.9       1.1       0.6
 assign ( resid      62     and name    hh2    ) ( resid     62     and name    hz3        )        2.9       1.1       0.6
 assign ( resid      62     and name    hd1    ) ( resid     62     and name    hb1        )        3.1       1.3       0.4
 assign ( resid      62     and name    hh2    ) ( resid     62     and name    hz2        )        3.1       1.3       0.4
 assign ( resid      25     and name    hd*    ) ( resid     25     and name    hb2        )        3.1       1.3       2.4
 assign ( resid      61     and name    hd2    ) ( resid     53     and name    hb2        )        3.1       1.3       0.4
 assign ( resid      25     and name    hd*    ) ( resid     25     and name    hb1        )        3.2       1.4       2.3
 assign ( resid      32     and name    hd2    ) ( resid     27     and name    hb1        )        3.2       1.4       0.3
 assign ( resid      32     and name    hd2    ) ( resid     37     and name     ha        )        3.2       1.4       0.3
 assign ( resid      61     and name    hd2    ) ( resid     66     and name    hb2        )        3.2       1.4       0.3
 assign ( resid      32     and name    hd2    ) ( resid     32     and name    hb*        )        3.2       1.4       1.3
 assign ( resid      61     and name    he1    ) ( resid     59     and name    ha2        )        3.3       1.5       0.2
 assign ( resid      62     and name    hd1    ) ( resid     65     and name    hb1        )        3.3       1.5       0.2
 assign ( resid      62     and name    hz2    ) ( resid     50     and name    hd2        )        3.3       1.5       0.2
 assign ( resid      61     and name    hd2    ) ( resid     53     and name    hb1        )        3.5       1.7        0
 assign ( resid      62     and name    he3    ) ( resid     62     and name    hb1        )        3.5       1.7        0
 assign ( resid      32     and name    hd2    ) ( resid     33     and name    hb2        )        3.5       1.7       1.5
 assign ( resid      62     and name    hz2    ) ( resid     49     and name     ha        )        3.6       1.8       1.4
 assign ( resid      32     and name    he1    ) ( resid     29     and name    hb2        )        3.7       1.9       1.3
 assign ( resid      62     and name    hz3    ) ( resid     61     and name    hb2        )        3.8        2        1.2
 assign ( resid      33     and name    hd*    ) ( resid     33     and name    hb2        )        3.8        2        3.2
 assign ( resid      62     and name    hh2    ) ( resid     61     and name    hb2        )        3.8        2        1.2
 assign ( resid      32     and name    hd2    ) ( resid     24     and name    hb2        )        3.9       2.1       1.2
 assign ( resid      25     and name    hd*    ) ( resid     25     and name     ha        )         4        2.2        3
 assign ( resid      62     and name    hd1    ) ( resid     50     and name    hg2        )        4.1       2.3       0.9
 assign ( resid      61     and name    he1    ) ( resid     59     and name    ha1        )        4.1       2.3       0.9
 assign ( resid      62     and name    hd1    ) ( resid     61     and name    hb2        )        4.1       2.3       0.9
 assign ( resid      61     and name    he1    ) ( resid     53     and name    hb1        )        4.3       2.5       0.7
 assign ( resid      25     and name    hd*    ) ( resid     24     and name     ha        )        4.3       2.5       3.1
 assign ( resid      61     and name    he1    ) ( resid     53     and name    hb2        )        4.6       2.8       0.4
 assign ( resid      80     and name    hd2    ) ( resid     80     and name    hb2        )        4.6       2.8       0.4
 assign ( resid      80     and name    hd2    ) ( resid     80     and name    hb1        )        4.9       3.1       0.1
 assign ( resid      62     and name    hd1    ) ( resid     62     and name     ha        )        5.1       3.3        0
 assign ( resid      62     and name    hh2    ) ( resid     48     and name    hb1        )        6.1       4.3       -1.1
 assign ( resid      62     and name    he1    ) ( resid     50     and name    hd2        )        4.3       2.5       0.7
 assign ( resid      62     and name     HN    ) ( resid     65     and name    hb2        )         4        2.2        1
 assign ( resid      27     and name     hn    ) ( resid     27     and name    hb2        )         4        2.2        1
 assign ( resid      53     and name     HN    ) ( resid     51     and name    ha1        )        4.2       2.4       0.8
 assign ( resid      72     and name     HN    ) ( resid     72     and name    hb1        )        3.5       1.7        0
 assign ( resid      75     and name    HD21   ) ( resid     73     and name    hb2        )        4.3       2.5       0.7
 assign ( resid      71     and name     hn    ) ( resid     77     and name    hd1*       )        4.2       2.4       1.1
 assign ( resid      24     and name     hn    ) ( resid     30     and name    hg2        )         4        2.2        1
 assign ( resid      71     and name     hn    ) ( resid     71     and name     ha        )        3.7       1.9       1.3
 assign ( resid      75     and name     hn    ) ( resid     75     and name     ha        )        3.8        2        1.2
 assign ( resid      55     and name     hn    ) ( resid     55     and name    hb1        )         3        1.2       0.5
 assign ( resid      58     and name     hn    ) ( resid     58     and name    hb1        )         3        1.2       0.5
 assign ( resid      61     and name    he1    ) ( resid     58     and name    hb1        )        4.2       2.4       0.8
 assign ( resid      57     and name     ha    ) ( resid     52     and name     hg        )        2.6       0.8       2.4
 assign ( resid      57     and name     hn    ) ( resid     52     and name     hg        )        3.4       1.6       1.6
 assign ( resid      55     and name     hn    ) ( resid     53     and name     sg        )         2        0.5       0.3
 assign ( resid      56     and name     hn    ) ( resid     53     and name     sg        )         2        0.5       0.3
 assign ( resid      58     and name     hn    ) ( resid     56     and name     sg        )         2        0.5       0.3
 assign ( resid      66     and name     hn    ) ( resid     63     and name     o         )         2        0.5       0.3
 assign ( resid      55     and name     n     ) ( resid     53     and name     sg        )         3        0.6       0.3
 assign ( resid      56     and name     n     ) ( resid     53     and name     sg        )         3        0.6       0.3
 assign ( resid      58     and name     n     ) ( resid     56     and name     sg        )         3        0.6       0.3
 assign ( resid      66     and name     n     ) ( resid     63     and name     o         )         3        0.6       0.3
 assign ( resid      77     and name     hn    ) ( resid     75     and name     o         )         2        0.5       0.3
 assign ( resid      77     and name     n     ) ( resid     75     and name     o         )         3        0.6       0.3

 *Dihedral restraints 


assign ( resid  54      and name c) ( resid     55      and name n) (resid      55      and name ca) (resid     55      and name c)     1       -140    20      2
assign ( resid  25      and name c) ( resid     26      and name n) (resid      26      and name ca) (resid     26      and name c)     1       -140    20      2
assign ( resid  57      and name c) ( resid     58      and name n) (resid      58      and name ca) (resid     58      and name c)     1       -140    20      2
assign ( resid  66      and name c) ( resid     67      and name n) (resid      67      and name ca) (resid     67      and name c)     1       -140    20      2
assign ( resid  59      and name c) ( resid     60      and name n) (resid      60      and name ca) (resid     60      and name c)     1       -140    20      2
assign ( resid  28      and name c) ( resid     29      and name n) (resid      29      and name ca) (resid     29      and name c)     1       -140    20      2
assign ( resid  56      and name c) ( resid     57      and name n) (resid      57      and name ca) (resid     57      and name c)     1       -140    20      2
assign ( resid  73      and name c) ( resid     74      and name n) (resid      74      and name ca) (resid     74      and name c)     1       -140    20      2
assign ( resid  48      and name c) ( resid     49      and name n) (resid      49      and name ca) (resid     49      and name c)     1       -140    20      2
assign ( resid  69      and name c) ( resid     70      and name n) (resid      70      and name ca) (resid     70      and name c)     1       -140    20      2
assign ( resid  50      and name c) ( resid     51      and name n) (resid      51      and name ca) (resid     51      and name c)     1       -140    20      2
assign ( resid  65      and name c) ( resid     66      and name n) (resid      66      and name ca) (resid     66      and name c)     1       -140    20      2
assign ( resid  72      and name c) ( resid     73      and name n) (resid      73      and name ca) (resid     73      and name c)     1       -140    20      2
assign ( resid  74      and name c) ( resid     75      and name n) (resid      75      and name ca) (resid     75      and name c)     1       -120    30      2
assign ( resid  71      and name c) ( resid     72      and name n) (resid      72      and name ca) (resid     72      and name c)     1       -120    30      2
assign ( resid  44      and name c) ( resid     45      and name n) (resid      45      and name ca) (resid     45      and name c)     1       -120    30      2
assign ( resid  61      and name c) ( resid     62      and name n) (resid      62      and name ca) (resid     62      and name c)     1       -120    30      2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    VAL  49           H        VAL  49  53.754  -4.284   6.316
    2    HA   VAL  49           HA       VAL  49  52.863  -4.155   3.474
    3    HB   VAL  49           HB       VAL  49  53.934  -6.759   3.905
    4   1HG1  VAL  49          1HG1      VAL  49  53.695  -5.468   1.770
    5   2HG1  VAL  49          2HG1      VAL  49  55.056  -4.466   2.273
    6   3HG1  VAL  49          3HG1      VAL  49  55.291  -6.189   1.979
    7   1HG2  VAL  49          1HG2      VAL  49  55.876  -4.528   4.595
    8   2HG2  VAL  49          2HG2      VAL  49  55.329  -5.796   5.692
    9   3HG2  VAL  49          3HG2      VAL  49  56.322  -6.208   4.295
   10    HA   PRO  50           HA       PRO  50  49.948  -6.500   6.255
   11   1HB   PRO  50          1HB       PRO  50  47.995  -4.549   6.464
   12   2HB   PRO  50          2HB       PRO  50  49.287  -4.802   7.644
   13   1HG   PRO  50          1HG       PRO  50  48.971  -2.581   5.732
   14   2HG   PRO  50          2HG       PRO  50  49.999  -2.689   7.159
   15   1HD   PRO  50          1HD       PRO  50  50.800  -3.000   4.409
   16   2HD   PRO  50          2HD       PRO  50  51.803  -3.124   5.866
   17    H    GLY  51           H        GLY  51  47.962  -7.497   5.427
   18   1HA   GLY  51          1HA       GLY  51  47.271  -6.633   2.643
   19   2HA   GLY  51          2HA       GLY  51  47.485  -8.330   3.054
   20    H    LEU  52           H        LEU  52  45.487  -9.173   2.810
   21    HA   LEU  52           HA       LEU  52  43.047  -8.193   2.829
   22   1HB   LEU  52          1HB       LEU  52  43.609 -10.680   2.750
   23   2HB   LEU  52          2HB       LEU  52  43.409 -10.657   4.507
   24    HG   LEU  52           HG       LEU  52  41.321  -9.552   2.594
   25   1HD1  LEU  52          1HD1      LEU  52  41.854 -12.104   2.421
   26   2HD1  LEU  52          2HD1      LEU  52  41.093 -12.204   4.010
   27   3HD1  LEU  52          3HD1      LEU  52  40.176 -11.604   2.629
   28   1HD2  LEU  52          1HD2      LEU  52  41.642  -9.748   5.492
   29   2HD2  LEU  52          2HD2      LEU  52  40.568  -8.727   4.542
   30   3HD2  LEU  52          3HD2      LEU  52  40.118 -10.388   4.919
   31    H    CYS  53           H        CYS  53  42.736  -6.535   3.895
   32    HA   CYS  53           HA       CYS  53  43.024  -5.427   6.262
   33   1HB   CYS  53          1HB       CYS  53  41.380  -4.636   4.644
   34   2HB   CYS  53          2HB       CYS  53  40.307  -5.981   5.029
   35    HA   PRO  54           HA       PRO  54  42.077  -8.503   9.340
   36   1HB   PRO  54          1HB       PRO  54  42.689  -6.913  11.498
   37   2HB   PRO  54          2HB       PRO  54  43.911  -7.717  10.496
   38   1HG   PRO  54          1HG       PRO  54  43.141  -4.837  10.566
   39   2HG   PRO  54          2HG       PRO  54  44.684  -5.578  10.100
   40   1HD   PRO  54          1HD       PRO  54  42.704  -4.600   8.324
   41   2HD   PRO  54          2HD       PRO  54  44.093  -5.618   7.887
   42    H    ARG  55           H        ARG  55  40.190  -6.065   8.405
   43    HA   ARG  55           HA       ARG  55  38.304  -6.341  10.700
   44   1HB   ARG  55          1HB       ARG  55  39.374  -3.993   9.886
   45   2HB   ARG  55          2HB       ARG  55  37.986  -4.072   8.800
   46   1HG   ARG  55          1HG       ARG  55  37.024  -3.034  10.641
   47   2HG   ARG  55          2HG       ARG  55  36.693  -4.726  11.014
   48   1HD   ARG  55          1HD       ARG  55  39.001  -4.665  12.226
   49   2HD   ARG  55          2HD       ARG  55  38.791  -2.914  12.189
   50    HE   ARG  55           HE       ARG  55  36.675  -4.652  13.378
   51   1HH1  ARG  55          1HH1      ARG  55  37.367  -1.486  13.135
   52   2HH1  ARG  55          2HH1      ARG  55  37.532  -1.157  14.828
   53   1HH2  ARG  55          1HH2      ARG  55  37.581  -4.501  15.744
   54   2HH2  ARG  55          2HH2      ARG  55  37.652  -2.863  16.304
   55    H    CYS  56           H        CYS  56  38.607  -6.025   7.149
   56    HA   CYS  56           HA       CYS  56  35.920  -7.305   6.971
   57   1HB   CYS  56          1HB       CYS  56  35.620  -6.302   4.809
   58   2HB   CYS  56          2HB       CYS  56  36.189  -5.025   5.882
   59    H    LYS  57           H        LYS  57  36.635  -7.837   4.079
   60    HA   LYS  57           HA       LYS  57  38.751  -9.753   4.088
   61   1HB   LYS  57          1HB       LYS  57  35.878 -10.621   4.215
   62   2HB   LYS  57          2HB       LYS  57  37.039 -11.583   3.300
   63   1HG   LYS  57          1HG       LYS  57  37.531 -10.816   6.182
   64   2HG   LYS  57          2HG       LYS  57  36.633 -12.259   5.745
   65   1HD   LYS  57          1HD       LYS  57  38.953 -12.270   4.132
   66   2HD   LYS  57          2HD       LYS  57  39.484 -11.858   5.763
   67   1HE   LYS  57          1HE       LYS  57  37.517 -14.089   5.425
   68   2HE   LYS  57          2HE       LYS  57  39.214 -14.391   5.049
   69   1HZ   LYS  57          1HZ       LYS  57  38.457 -13.064   7.570
   70   2HZ   LYS  57          2HZ       LYS  57  38.390 -14.757   7.441
   71   3HZ   LYS  57          3HZ       LYS  57  39.861 -13.948   7.205
   72    H    ARG  58           H        ARG  58  37.449  -7.378   2.584
   73    HA   ARG  58           HA       ARG  58  37.597  -8.697  -0.093
   74   1HB   ARG  58          1HB       ARG  58  35.297  -7.622   0.940
   75   2HB   ARG  58          2HB       ARG  58  35.972  -6.236   0.083
   76   1HG   ARG  58          1HG       ARG  58  36.163  -7.559  -1.969
   77   2HG   ARG  58          2HG       ARG  58  35.563  -8.987  -1.126
   78   1HD   ARG  58          1HD       ARG  58  33.650  -8.127  -2.214
   79   2HD   ARG  58          2HD       ARG  58  33.495  -7.538  -0.559
   80    HE   ARG  58           HE       ARG  58  34.161  -5.329  -1.335
   81   1HH1  ARG  58          1HH1      ARG  58  35.460  -7.068  -3.750
   82   2HH1  ARG  58          2HH1      ARG  58  34.679  -6.255  -5.065
   83   1HH2  ARG  58          1HH2      ARG  58  32.443  -4.556  -3.028
   84   2HH2  ARG  58          2HH2      ARG  58  32.966  -4.833  -4.656
   85    H    GLY  59           H        GLY  59  39.535  -7.191   1.694
   86   1HA   GLY  59          1HA       GLY  59  40.589  -5.494  -0.467
   87   2HA   GLY  59          2HA       GLY  59  40.117  -4.608   0.989
   88    H    LYS  60           H        LYS  60  42.786  -4.645   0.220
   89    HA   LYS  60           HA       LYS  60  43.982  -6.459   2.278
   90   1HB   LYS  60          1HB       LYS  60  44.751  -5.851  -0.502
   91   2HB   LYS  60          2HB       LYS  60  46.081  -5.705   0.653
   92   1HG   LYS  60          1HG       LYS  60  46.206  -7.943   0.916
   93   2HG   LYS  60          2HG       LYS  60  44.465  -8.075   1.169
   94   1HD   LYS  60          1HD       LYS  60  44.344  -7.665  -1.428
   95   2HD   LYS  60          2HD       LYS  60  46.019  -8.217  -1.398
   96   1HE   LYS  60          1HE       LYS  60  45.434 -10.341  -0.568
   97   2HE   LYS  60          2HE       LYS  60  43.858  -9.787  -0.003
   98   1HZ   LYS  60          1HZ       LYS  60  43.449  -9.311  -2.486
   99   2HZ   LYS  60          2HZ       LYS  60  44.735 -10.386  -2.751
  100   3HZ   LYS  60          3HZ       LYS  60  43.344 -10.914  -1.930
  101    H    HIS  61           H        HIS  61  42.978  -4.207   3.258
  102    HA   HIS  61           HA       HIS  61  45.350  -2.392   3.545
  103   1HB   HIS  61          1HB       HIS  61  43.584  -0.620   3.985
  104   2HB   HIS  61          2HB       HIS  61  43.765  -1.131   2.296
  105    HD1  HIS  61           HD1      HIS  61  41.735  -2.168   1.184
  106    HD2  HIS  61           HD2      HIS  61  41.314  -2.002   5.332
  107    HE1  HIS  61           HE1      HIS  61  39.393  -2.988   1.706
  108    H    TRP  62           H        TRP  62  44.609  -0.777   5.446
  109    HA   TRP  62           HA       TRP  62  44.327  -2.577   7.768
  110   1HB   TRP  62          1HB       TRP  62  45.075   0.192   8.325
  111   2HB   TRP  62          2HB       TRP  62  45.922  -1.303   8.689
  112    HD1  TRP  62           HD1      TRP  62  46.811   1.628   7.115
  113    HE1  TRP  62           HE1      TRP  62  48.352   1.336   5.066
  114    HE3  TRP  62           HE3      TRP  62  46.061  -3.312   6.167
  115    HZ2  TRP  62           HZ2      TRP  62  49.134  -0.741   3.239
  116    HZ3  TRP  62           HZ3      TRP  62  47.148  -4.406   4.255
  117    HH2  TRP  62           HH2      TRP  62  48.709  -3.150   2.805
  118    H    ALA  63           H        ALA  63  43.097  -1.786   9.644
  119    HA   ALA  63           HA       ALA  63  40.425  -1.247   9.153
  120   1HB   ALA  63          1HB       ALA  63  42.193  -0.745  11.521
  121   2HB   ALA  63          2HB       ALA  63  40.524  -0.176  11.555
  122   3HB   ALA  63          3HB       ALA  63  40.867  -1.893  11.342
  123    H    ASN  64           H        ASN  64  42.534   1.304  10.531
  124    HA   ASN  64           HA       ASN  64  40.953   3.510  10.220
  125   1HB   ASN  64          1HB       ASN  64  43.902   3.145   9.767
  126   2HB   ASN  64          2HB       ASN  64  43.160   4.720   9.461
  127   1HD2  ASN  64          1HD2      ASN  64  43.409   2.202  12.028
  128   2HD2  ASN  64          2HD2      ASN  64  43.265   3.296  13.318
  129    H    GLU  65           H        GLU  65  42.770   1.953   7.593
  130    HA   GLU  65           HA       GLU  65  41.315   3.703   5.658
  131   1HB   GLU  65          1HB       GLU  65  43.729   3.794   5.381
  132   2HB   GLU  65          2HB       GLU  65  43.829   2.030   5.353
  133   1HG   GLU  65          1HG       GLU  65  43.288   1.945   3.163
  134   2HG   GLU  65          2HG       GLU  65  41.929   3.049   3.386
  135    H    CYS  66           H        CYS  66  39.531   2.021   6.468
  136    HA   CYS  66           HA       CYS  66  39.521  -0.171   4.442
  137   1HB   CYS  66          1HB       CYS  66  40.004  -1.344   6.449
  138   2HB   CYS  66          2HB       CYS  66  38.890  -0.359   7.390
  139    H    LYS  67           H        LYS  67  37.581  -0.497   3.446
  140    HA   LYS  67           HA       LYS  67  35.078   0.509   4.526
  141   1HB   LYS  67          1HB       LYS  67  34.621   1.936   2.452
  142   2HB   LYS  67          2HB       LYS  67  35.787   2.625   3.582
  143   1HG   LYS  67          1HG       LYS  67  37.643   1.786   2.218
  144   2HG   LYS  67          2HG       LYS  67  36.503   1.026   1.105
  145   1HD   LYS  67          1HD       LYS  67  35.965   3.879   1.580
  146   2HD   LYS  67          2HD       LYS  67  37.524   3.569   0.816
  147   1HE   LYS  67          1HE       LYS  67  36.432   3.320  -1.138
  148   2HE   LYS  67          2HE       LYS  67  35.716   1.849  -0.479
  149   1HZ   LYS  67          1HZ       LYS  67  34.228   3.795   0.650
  150   2HZ   LYS  67          2HZ       LYS  67  34.540   4.445  -0.889
  151   3HZ   LYS  67          3HZ       LYS  67  33.794   2.925  -0.741
  152    H    SER  68           H        SER  68  34.421  -1.461   4.380
  153    HA   SER  68           HA       SER  68  34.653  -3.098   1.991
  154   1HB   SER  68          1HB       SER  68  34.076  -3.291   4.789
  155   2HB   SER  68          2HB       SER  68  32.847  -4.187   3.875
  156    HG   SER  68           HG       SER  68  35.592  -4.420   3.258
  157    H    LYS  69           H        LYS  69  33.224  -3.015   0.333
  158    HA   LYS  69           HA       LYS  69  30.677  -1.569   0.653
  159   1HB   LYS  69          1HB       LYS  69  32.400  -1.708  -1.427
  160   2HB   LYS  69          2HB       LYS  69  31.298  -3.009  -1.876
  161   1HG   LYS  69          1HG       LYS  69  30.469  -0.947  -2.846
  162   2HG   LYS  69          2HG       LYS  69  29.384  -1.418  -1.537
  163   1HD   LYS  69          1HD       LYS  69  31.113   0.083  -0.126
  164   2HD   LYS  69          2HD       LYS  69  31.279   0.872  -1.695
  165   1HE   LYS  69          1HE       LYS  69  28.524   0.259  -0.701
  166   2HE   LYS  69          2HE       LYS  69  29.386   1.626   0.008
  167   1HZ   LYS  69          1HZ       LYS  69  29.756   1.719  -2.754
  168   2HZ   LYS  69          2HZ       LYS  69  28.097   1.474  -2.479
  169   3HZ   LYS  69          3HZ       LYS  69  28.890   2.804  -1.779
  170    H    THR  70           H        THR  70  29.862  -3.240   2.206
  171    HA   THR  70           HA       THR  70  28.705  -5.556   0.714
  172    HB   THR  70           HB       THR  70  29.973  -5.451   3.452
  173    HG1  THR  70           HG1      THR  70  30.679  -7.572   2.401
  174   1HG2  THR  70          1HG2      THR  70  27.860  -7.337   2.426
  175   2HG2  THR  70          2HG2      THR  70  29.051  -7.864   3.611
  176   3HG2  THR  70          3HG2      THR  70  27.957  -6.540   3.993
  177    H    ASP  71           H        ASP  71  28.330  -3.316   3.463
  178    HA   ASP  71           HA       ASP  71  25.408  -3.340   2.987
  179   1HB   ASP  71          1HB       ASP  71  26.301  -5.043   4.864
  180   2HB   ASP  71          2HB       ASP  71  26.229  -3.576   5.842
  181    H    ASN  72           H        ASN  72  24.842  -1.918   5.455
  182    HA   ASN  72           HA       ASN  72  26.279   0.640   4.864
  183   1HB   ASN  72          1HB       ASN  72  24.235   1.813   5.518
  184   2HB   ASN  72          2HB       ASN  72  23.863   0.641   4.248
  185   1HD2  ASN  72          1HD2      ASN  72  21.754   1.445   5.883
  186   2HD2  ASN  72          2HD2      ASN  72  21.323   0.188   6.939
  187    H    GLN  73           H        GLN  73  27.472  -1.045   6.698
  188    HA   GLN  73           HA       GLN  73  26.950   0.395   9.249
  189   1HB   GLN  73          1HB       GLN  73  27.772  -1.922  10.244
  190   2HB   GLN  73          2HB       GLN  73  26.069  -1.659   9.868
  191   1HG   GLN  73          1HG       GLN  73  27.622  -2.601   7.565
  192   2HG   GLN  73          2HG       GLN  73  27.643  -3.734   8.911
  193   1HE2  GLN  73          1HE2      GLN  73  24.895  -1.558   8.424
  194   2HE2  GLN  73          2HE2      GLN  73  23.797  -2.772   7.946
  195    H    GLY  74           H        GLY  74  29.268  -2.190   8.971
  196   1HA   GLY  74          1HA       GLY  74  31.487  -0.273   8.498
  197   2HA   GLY  74          2HA       GLY  74  31.524  -1.261   9.967
  198    H    ASN  75           H        ASN  75  31.143  -3.686   9.514
  199    HA   ASN  75           HA       ASN  75  32.293  -4.503   6.904
  200   1HB   ASN  75          1HB       ASN  75  33.421  -6.329   8.435
  201   2HB   ASN  75          2HB       ASN  75  34.234  -4.808   8.092
  202   1HD2  ASN  75          1HD2      ASN  75  31.475  -5.329  10.314
  203   2HD2  ASN  75          2HD2      ASN  75  32.306  -4.838  11.719
  204    HA   PRO  76           HA       PRO  76  28.682  -7.083   7.961
  205   1HB   PRO  76          1HB       PRO  76  27.317  -6.470   5.668
  206   2HB   PRO  76          2HB       PRO  76  27.256  -5.447   7.114
  207   1HG   PRO  76          1HG       PRO  76  28.592  -4.903   4.537
  208   2HG   PRO  76          2HG       PRO  76  28.177  -3.774   5.834
  209   1HD   PRO  76          1HD       PRO  76  30.764  -5.013   5.276
  210   2HD   PRO  76          2HD       PRO  76  30.379  -3.797   6.514
  211    H    ILE  77           H        ILE  77  31.321  -7.408   6.406
  212    HA   ILE  77           HA       ILE  77  31.002  -8.760   4.014
  213    HB   ILE  77           HB       ILE  77  32.982  -9.862   5.989
  214   1HG1  ILE  77          1HG1      ILE  77  33.110  -7.505   6.517
  215   2HG1  ILE  77          2HG1      ILE  77  34.459  -7.870   5.439
  216   1HG2  ILE  77          1HG2      ILE  77  32.613  -9.720   3.122
  217   2HG2  ILE  77          2HG2      ILE  77  34.167  -9.020   3.576
  218   3HG2  ILE  77          3HG2      ILE  77  33.773 -10.673   4.047
  219   1HD1  ILE  77          1HD1      ILE  77  31.810  -6.858   4.395
  220   2HD1  ILE  77          2HD1      ILE  77  33.102  -5.764   4.892
  221   3HD1  ILE  77          3HD1      ILE  77  33.366  -6.896   3.565
  222    HA   PRO  78           HA       PRO  78  28.577 -12.199   5.430
  223   1HB   PRO  78          1HB       PRO  78  28.460 -13.508   3.005
  224   2HB   PRO  78          2HB       PRO  78  27.422 -12.149   3.478
  225   1HG   PRO  78          1HG       PRO  78  29.741 -12.174   1.606
  226   2HG   PRO  78          2HG       PRO  78  28.346 -11.088   1.650
  227   1HD   PRO  78          1HD       PRO  78  30.930 -10.459   2.596
  228   2HD   PRO  78          2HD       PRO  78  29.444  -9.558   2.959
  229    HA   PRO  79           HA       PRO  79  31.836 -15.568   4.406
  230   1HB   PRO  79          1HB       PRO  79  34.354 -14.684   3.750
  231   2HB   PRO  79          2HB       PRO  79  33.111 -15.081   2.546
  232   1HG   PRO  79          1HG       PRO  79  34.073 -12.402   3.442
  233   2HG   PRO  79          2HG       PRO  79  33.384 -12.884   1.883
  234   1HD   PRO  79          1HD       PRO  79  32.005 -11.518   3.927
  235   2HD   PRO  79          2HD       PRO  79  31.267 -12.341   2.543
  236    H    HIS  80           H        HIS  80  32.810 -12.515   5.863
  237    HA   HIS  80           HA       HIS  80  33.377 -13.816   8.401
  238   1HB   HIS  80          1HB       HIS  80  35.507 -13.793   6.642
  239   2HB   HIS  80          2HB       HIS  80  35.777 -12.329   7.589
  240    HD1  HIS  80           HD1      HIS  80  35.309 -16.065   8.014
  241    HD2  HIS  80           HD2      HIS  80  36.600 -12.778  10.231
  242    HE1  HIS  80           HE1      HIS  80  36.276 -16.987  10.166
  Start of MODEL    2
    1    H    VAL  49           H        VAL  49  53.364  -4.887   7.927
    2    HA   VAL  49           HA       VAL  49  52.865  -4.145   5.082
    3    HB   VAL  49           HB       VAL  49  54.305  -6.685   5.852
    4   1HG1  VAL  49          1HG1      VAL  49  53.509  -5.277   3.349
    5   2HG1  VAL  49          2HG1      VAL  49  55.081  -6.077   3.347
    6   3HG1  VAL  49          3HG1      VAL  49  53.619  -7.005   3.679
    7   1HG2  VAL  49          1HG2      VAL  49  55.407  -3.945   5.189
    8   2HG2  VAL  49          2HG2      VAL  49  55.780  -4.952   6.588
    9   3HG2  VAL  49          3HG2      VAL  49  56.356  -5.419   4.987
   10    HA   PRO  50           HA       PRO  50  49.604  -6.930   6.894
   11   1HB   PRO  50          1HB       PRO  50  47.593  -5.025   6.986
   12   2HB   PRO  50          2HB       PRO  50  48.651  -5.438   8.341
   13   1HG   PRO  50          1HG       PRO  50  48.654  -2.976   6.705
   14   2HG   PRO  50          2HG       PRO  50  49.388  -3.275   8.278
   15   1HD   PRO  50          1HD       PRO  50  50.704  -3.210   5.725
   16   2HD   PRO  50          2HD       PRO  50  51.413  -3.554   7.314
   17    H    GLY  51           H        GLY  51  47.647  -7.690   5.673
   18   1HA   GLY  51          1HA       GLY  51  47.628  -6.633   2.873
   19   2HA   GLY  51          2HA       GLY  51  47.617  -8.362   3.207
   20    H    LEU  52           H        LEU  52  45.679  -9.052   2.536
   21    HA   LEU  52           HA       LEU  52  43.347  -8.449   1.851
   22   1HB   LEU  52          1HB       LEU  52  43.558 -10.636   2.860
   23   2HB   LEU  52          2HB       LEU  52  43.498  -9.924   4.480
   24    HG   LEU  52           HG       LEU  52  41.294  -9.246   2.595
   25   1HD1  LEU  52          1HD1      LEU  52  41.920 -11.894   2.809
   26   2HD1  LEU  52          2HD1      LEU  52  40.842 -11.695   4.191
   27   3HD1  LEU  52          3HD1      LEU  52  40.280 -11.291   2.568
   28   1HD2  LEU  52          1HD2      LEU  52  41.873  -9.177   5.429
   29   2HD2  LEU  52          2HD2      LEU  52  40.639  -8.310   4.514
   30   3HD2  LEU  52          3HD2      LEU  52  40.322  -9.943   5.102
   31    H    CYS  53           H        CYS  53  43.557  -8.136   5.291
   32    HA   CYS  53           HA       CYS  53  43.201  -5.735   6.140
   33   1HB   CYS  53          1HB       CYS  53  41.687  -5.142   4.314
   34   2HB   CYS  53          2HB       CYS  53  40.518  -6.335   4.867
   35    HA   PRO  54           HA       PRO  54  41.955  -8.326   9.526
   36   1HB   PRO  54          1HB       PRO  54  42.630  -6.515  11.480
   37   2HB   PRO  54          2HB       PRO  54  43.813  -7.530  10.637
   38   1HG   PRO  54          1HG       PRO  54  43.269  -4.618  10.315
   39   2HG   PRO  54          2HG       PRO  54  44.759  -5.525   9.994
   40   1HD   PRO  54          1HD       PRO  54  42.889  -4.640   8.051
   41   2HD   PRO  54          2HD       PRO  54  44.218  -5.788   7.785
   42    H    ARG  55           H        ARG  55  40.286  -5.893   8.214
   43    HA   ARG  55           HA       ARG  55  38.337  -5.715  10.474
   44   1HB   ARG  55          1HB       ARG  55  39.596  -3.610   9.154
   45   2HB   ARG  55          2HB       ARG  55  38.022  -3.708   8.363
   46   1HG   ARG  55          1HG       ARG  55  37.770  -2.242  10.258
   47   2HG   ARG  55          2HG       ARG  55  36.977  -3.764  10.670
   48   1HD   ARG  55          1HD       ARG  55  39.828  -3.732  11.359
   49   2HD   ARG  55          2HD       ARG  55  38.898  -2.500  12.211
   50    HE   ARG  55           HE       ARG  55  37.470  -4.962  12.358
   51   1HH1  ARG  55          1HH1      ARG  55  40.618  -3.874  13.170
   52   2HH1  ARG  55          2HH1      ARG  55  40.618  -4.598  14.744
   53   1HH2  ARG  55          1HH2      ARG  55  37.345  -5.721  14.519
   54   2HH2  ARG  55          2HH2      ARG  55  38.766  -5.643  15.506
   55    H    CYS  56           H        CYS  56  38.529  -5.538   6.891
   56    HA   CYS  56           HA       CYS  56  35.892  -6.921   6.822
   57   1HB   CYS  56          1HB       CYS  56  35.620  -6.091   4.578
   58   2HB   CYS  56          2HB       CYS  56  36.163  -4.727   5.549
   59    H    LYS  57           H        LYS  57  36.650  -7.660   3.972
   60    HA   LYS  57           HA       LYS  57  38.850  -9.433   4.141
   61   1HB   LYS  57          1HB       LYS  57  36.179 -10.431   4.821
   62   2HB   LYS  57          2HB       LYS  57  36.975 -11.350   3.538
   63   1HG   LYS  57          1HG       LYS  57  38.935 -11.698   4.943
   64   2HG   LYS  57          2HG       LYS  57  38.243 -10.686   6.212
   65   1HD   LYS  57          1HD       LYS  57  36.607 -12.269   6.763
   66   2HD   LYS  57          2HD       LYS  57  36.720 -13.075   5.197
   67   1HE   LYS  57          1HE       LYS  57  38.426 -14.403   5.878
   68   2HE   LYS  57          2HE       LYS  57  39.245 -13.075   6.700
   69   1HZ   LYS  57          1HZ       LYS  57  36.929 -13.583   8.128
   70   2HZ   LYS  57          2HZ       LYS  57  37.613 -15.103   7.798
   71   3HZ   LYS  57          3HZ       LYS  57  38.526 -13.921   8.600
   72    H    ARG  58           H        ARG  58  37.591  -7.316   2.461
   73    HA   ARG  58           HA       ARG  58  37.526  -8.866  -0.092
   74   1HB   ARG  58          1HB       ARG  58  35.436  -7.366   1.032
   75   2HB   ARG  58          2HB       ARG  58  36.120  -6.328  -0.223
   76   1HG   ARG  58          1HG       ARG  58  35.300  -9.223  -0.630
   77   2HG   ARG  58          2HG       ARG  58  34.326  -7.829  -1.096
   78   1HD   ARG  58          1HD       ARG  58  36.822  -7.279  -2.195
   79   2HD   ARG  58          2HD       ARG  58  36.628  -9.012  -2.449
   80    HE   ARG  58           HE       ARG  58  35.407  -7.184  -4.088
   81   1HH1  ARG  58          1HH1      ARG  58  34.681 -10.087  -2.542
   82   2HH1  ARG  58          2HH1      ARG  58  33.001 -10.089  -2.964
   83   1HH2  ARG  58          1HH2      ARG  58  33.065  -6.886  -4.296
   84   2HH2  ARG  58          2HH2      ARG  58  32.085  -8.274  -3.959
   85    H    GLY  59           H        GLY  59  39.773  -7.401   1.323
   86   1HA   GLY  59          1HA       GLY  59  40.590  -5.880  -1.060
   87   2HA   GLY  59          2HA       GLY  59  40.346  -4.887   0.377
   88    H    LYS  60           H        LYS  60  42.384  -4.353   0.871
   89    HA   LYS  60           HA       LYS  60  44.137  -6.352   2.086
   90   1HB   LYS  60          1HB       LYS  60  44.503  -5.839  -0.653
   91   2HB   LYS  60          2HB       LYS  60  45.701  -4.821   0.154
   92   1HG   LYS  60          1HG       LYS  60  46.461  -6.807   1.452
   93   2HG   LYS  60          2HG       LYS  60  45.327  -7.806   0.547
   94   1HD   LYS  60          1HD       LYS  60  47.440  -6.108  -0.794
   95   2HD   LYS  60          2HD       LYS  60  47.716  -7.790  -0.339
   96   1HE   LYS  60          1HE       LYS  60  46.521  -8.556  -2.094
   97   2HE   LYS  60          2HE       LYS  60  45.191  -7.445  -1.761
   98   1HZ   LYS  60          1HZ       LYS  60  47.295  -5.904  -2.685
   99   2HZ   LYS  60          2HZ       LYS  60  47.216  -7.248  -3.720
  100   3HZ   LYS  60          3HZ       LYS  60  45.849  -6.269  -3.499
  101    H    HIS  61           H        HIS  61  43.441  -4.780   3.812
  102    HA   HIS  61           HA       HIS  61  45.411  -2.659   4.107
  103   1HB   HIS  61          1HB       HIS  61  43.613  -0.866   4.201
  104   2HB   HIS  61          2HB       HIS  61  44.123  -1.397   2.586
  105    HD1  HIS  61           HD1      HIS  61  42.342  -2.480   1.103
  106    HD2  HIS  61           HD2      HIS  61  41.114  -2.192   5.077
  107    HE1  HIS  61           HE1      HIS  61  39.908  -3.221   1.168
  108    H    TRP  62           H        TRP  62  44.385  -0.987   5.830
  109    HA   TRP  62           HA       TRP  62  43.491  -2.744   8.049
  110   1HB   TRP  62          1HB       TRP  62  44.568  -0.261   8.979
  111   2HB   TRP  62          2HB       TRP  62  45.222  -1.882   9.145
  112    HD1  TRP  62           HD1      TRP  62  46.290   1.263   7.930
  113    HE1  TRP  62           HE1      TRP  62  48.098   1.076   6.102
  114    HE3  TRP  62           HE3      TRP  62  45.741  -3.639   6.665
  115    HZ2  TRP  62           HZ2      TRP  62  49.145  -0.899   4.312
  116    HZ3  TRP  62           HZ3      TRP  62  47.104  -4.633   4.872
  117    HH2  TRP  62           HH2      TRP  62  48.830  -3.289   3.712
  118    H    ALA  63           H        ALA  63  42.305  -1.526   9.817
  119    HA   ALA  63           HA       ALA  63  39.809  -0.637   8.976
  120   1HB   ALA  63          1HB       ALA  63  41.376  -0.367  11.491
  121   2HB   ALA  63          2HB       ALA  63  39.954   0.663  11.318
  122   3HB   ALA  63          3HB       ALA  63  39.790  -1.090  11.224
  123    H    ASN  64           H        ASN  64  42.209   1.637  10.383
  124    HA   ASN  64           HA       ASN  64  41.030   4.036   9.772
  125   1HB   ASN  64          1HB       ASN  64  43.223   3.907  10.857
  126   2HB   ASN  64          2HB       ASN  64  43.958   3.364   9.344
  127   1HD2  ASN  64          1HD2      ASN  64  44.928   5.032   8.194
  128   2HD2  ASN  64          2HD2      ASN  64  44.452   6.660   8.238
  129    H    GLU  65           H        GLU  65  42.764   1.957   7.488
  130    HA   GLU  65           HA       GLU  65  41.703   3.669   5.274
  131   1HB   GLU  65          1HB       GLU  65  44.204   3.575   5.435
  132   2HB   GLU  65          2HB       GLU  65  44.115   1.822   5.220
  133   1HG   GLU  65          1HG       GLU  65  43.931   2.061   2.991
  134   2HG   GLU  65          2HG       GLU  65  42.545   3.134   3.185
  135    H    CYS  66           H        CYS  66  39.834   2.017   6.108
  136    HA   CYS  66           HA       CYS  66  39.991  -0.315   4.250
  137   1HB   CYS  66          1HB       CYS  66  40.226  -1.278   6.419
  138   2HB   CYS  66          2HB       CYS  66  38.992  -0.220   7.102
  139    H    LYS  67           H        LYS  67  37.995  -1.005   3.372
  140    HA   LYS  67           HA       LYS  67  35.577   0.592   3.859
  141   1HB   LYS  67          1HB       LYS  67  37.078   1.660   1.961
  142   2HB   LYS  67          2HB       LYS  67  36.464   0.317   0.996
  143   1HG   LYS  67          1HG       LYS  67  34.161   0.994   1.444
  144   2HG   LYS  67          2HG       LYS  67  34.721   2.282   2.510
  145   1HD   LYS  67          1HD       LYS  67  35.906   3.332   0.606
  146   2HD   LYS  67          2HD       LYS  67  35.305   2.061  -0.457
  147   1HE   LYS  67          1HE       LYS  67  33.133   2.856  -0.412
  148   2HE   LYS  67          2HE       LYS  67  33.320   3.580   1.184
  149   1HZ   LYS  67          1HZ       LYS  67  35.112   4.946  -0.288
  150   2HZ   LYS  67          2HZ       LYS  67  33.866   4.696  -1.414
  151   3HZ   LYS  67          3HZ       LYS  67  33.535   5.478   0.054
  152    H    SER  68           H        SER  68  33.692  -0.501   3.113
  153    HA   SER  68           HA       SER  68  33.834  -2.982   1.647
  154   1HB   SER  68          1HB       SER  68  34.601  -3.000   4.375
  155   2HB   SER  68          2HB       SER  68  33.016  -3.792   4.281
  156    HG   SER  68           HG       SER  68  35.477  -4.500   3.136
  157    H    LYS  69           H        LYS  69  32.119  -1.159   1.022
  158    HA   LYS  69           HA       LYS  69  29.750  -0.919   2.606
  159   1HB   LYS  69          1HB       LYS  69  30.455  -0.373  -0.257
  160   2HB   LYS  69          2HB       LYS  69  28.764  -0.312   0.246
  161   1HG   LYS  69          1HG       LYS  69  29.248   1.356   1.921
  162   2HG   LYS  69          2HG       LYS  69  30.985   1.192   1.653
  163   1HD   LYS  69          1HD       LYS  69  30.945   2.467  -0.240
  164   2HD   LYS  69          2HD       LYS  69  29.384   1.827  -0.757
  165   1HE   LYS  69          1HE       LYS  69  28.344   3.183   1.135
  166   2HE   LYS  69          2HE       LYS  69  29.909   3.978   1.304
  167   1HZ   LYS  69          1HZ       LYS  69  28.390   3.843  -1.241
  168   2HZ   LYS  69          2HZ       LYS  69  28.315   5.155  -0.166
  169   3HZ   LYS  69          3HZ       LYS  69  29.781   4.764  -0.921
  170    H    THR  70           H        THR  70  28.865  -2.882   3.228
  171    HA   THR  70           HA       THR  70  27.920  -4.628   0.995
  172    HB   THR  70           HB       THR  70  29.290  -5.331   3.541
  173    HG1  THR  70           HG1      THR  70  28.710  -6.601   1.074
  174   1HG2  THR  70          1HG2      THR  70  26.588  -6.455   2.877
  175   2HG2  THR  70          2HG2      THR  70  27.826  -7.574   3.423
  176   3HG2  THR  70          3HG2      THR  70  27.352  -6.218   4.441
  177    H    ASP  71           H        ASP  71  27.190  -3.764   4.398
  178    HA   ASP  71           HA       ASP  71  24.303  -3.731   3.598
  179   1HB   ASP  71          1HB       ASP  71  25.667  -5.069   5.791
  180   2HB   ASP  71          2HB       ASP  71  24.387  -4.006   6.379
  181    H    ASN  72           H        ASN  72  25.598  -2.645   6.694
  182    HA   ASN  72           HA       ASN  72  25.012   0.167   5.870
  183   1HB   ASN  72          1HB       ASN  72  23.175  -0.077   7.210
  184   2HB   ASN  72          2HB       ASN  72  23.859  -1.452   8.070
  185   1HD2  ASN  72          1HD2      ASN  72  24.269   2.108   7.804
  186   2HD2  ASN  72          2HD2      ASN  72  24.688   2.337   9.435
  187    H    GLN  73           H        GLN  73  27.267  -1.991   7.145
  188    HA   GLN  73           HA       GLN  73  28.770   0.240   8.425
  189   1HB   GLN  73          1HB       GLN  73  28.947  -2.741   8.952
  190   2HB   GLN  73          2HB       GLN  73  29.830  -1.478   9.799
  191   1HG   GLN  73          1HG       GLN  73  26.817  -1.535   9.695
  192   2HG   GLN  73          2HG       GLN  73  27.730  -2.337  10.972
  193   1HE2  GLN  73          1HE2      GLN  73  27.907  -1.041  12.793
  194   2HE2  GLN  73          2HE2      GLN  73  28.038   0.659  12.779
  195    H    GLY  74           H        GLY  74  31.198  -1.351   8.542
  196   1HA   GLY  74          1HA       GLY  74  31.849  -1.489   5.624
  197   2HA   GLY  74          2HA       GLY  74  32.978  -0.850   6.825
  198    H    ASN  75           H        ASN  75  31.441  -3.321   8.354
  199    HA   ASN  75           HA       ASN  75  33.495  -5.289   7.435
  200   1HB   ASN  75          1HB       ASN  75  32.362  -4.797  10.167
  201   2HB   ASN  75          2HB       ASN  75  33.528  -6.070   9.781
  202   1HD2  ASN  75          1HD2      ASN  75  33.428  -3.074  11.147
  203   2HD2  ASN  75          2HD2      ASN  75  34.962  -2.485  10.690
  204    HA   PRO  76           HA       PRO  76  29.373  -7.574   7.884
  205   1HB   PRO  76          1HB       PRO  76  27.603  -6.643   6.070
  206   2HB   PRO  76          2HB       PRO  76  27.714  -5.920   7.682
  207   1HG   PRO  76          1HG       PRO  76  28.544  -4.765   5.097
  208   2HG   PRO  76          2HG       PRO  76  28.268  -3.952   6.643
  209   1HD   PRO  76          1HD       PRO  76  30.811  -4.787   5.468
  210   2HD   PRO  76          2HD       PRO  76  30.515  -3.859   6.943
  211    H    ILE  77           H        ILE  77  31.523  -8.428   6.642
  212    HA   ILE  77           HA       ILE  77  30.791  -8.619   3.783
  213    HB   ILE  77           HB       ILE  77  33.483  -9.535   4.605
  214   1HG1  ILE  77          1HG1      ILE  77  33.034  -7.569   6.123
  215   2HG1  ILE  77          2HG1      ILE  77  34.355  -7.309   4.985
  216   1HG2  ILE  77          1HG2      ILE  77  32.556  -9.231   2.245
  217   2HG2  ILE  77          2HG2      ILE  77  32.638  -7.494   2.540
  218   3HG2  ILE  77          3HG2      ILE  77  34.111  -8.464   2.568
  219   1HD1  ILE  77          1HD1      ILE  77  31.503  -6.420   4.465
  220   2HD1  ILE  77          2HD1      ILE  77  32.723  -5.377   5.196
  221   3HD1  ILE  77          3HD1      ILE  77  32.944  -5.975   3.551
  222    HA   PRO  78           HA       PRO  78  30.226 -12.935   5.413
  223   1HB   PRO  78          1HB       PRO  78  27.792 -13.351   4.214
  224   2HB   PRO  78          2HB       PRO  78  27.977 -12.634   5.827
  225   1HG   PRO  78          1HG       PRO  78  27.306 -11.297   3.238
  226   2HG   PRO  78          2HG       PRO  78  26.858 -10.836   4.890
  227   1HD   PRO  78          1HD       PRO  78  28.908  -9.644   3.368
  228   2HD   PRO  78          2HD       PRO  78  28.698  -9.506   5.126
  229    HA   PRO  79           HA       PRO  79  31.570 -14.577   1.501
  230   1HB   PRO  79          1HB       PRO  79  31.649 -17.219   2.271
  231   2HB   PRO  79          2HB       PRO  79  32.889 -16.030   2.717
  232   1HG   PRO  79          1HG       PRO  79  30.729 -17.212   4.403
  233   2HG   PRO  79          2HG       PRO  79  32.304 -16.563   4.888
  234   1HD   PRO  79          1HD       PRO  79  29.818 -15.232   5.135
  235   2HD   PRO  79          2HD       PRO  79  31.423 -14.485   5.292
  236    H    HIS  80           H        HIS  80  28.639 -15.516   3.132
  237    HA   HIS  80           HA       HIS  80  26.624 -16.414   2.336
  238   1HB   HIS  80          1HB       HIS  80  27.524 -14.539   0.463
  239   2HB   HIS  80          2HB       HIS  80  27.103 -15.956  -0.499
  240    HD1  HIS  80           HD1      HIS  80  25.289 -13.549  -0.785
  241    HD2  HIS  80           HD2      HIS  80  24.665 -16.487   2.107
  242    HE1  HIS  80           HE1      HIS  80  22.841 -13.413  -0.140
  Start of MODEL    3
    1    H    VAL  49           H        VAL  49  53.854  -5.610   4.837
    2    HA   VAL  49           HA       VAL  49  52.560  -4.347   7.148
    3    HB   VAL  49           HB       VAL  49  50.901  -3.550   5.060
    4   1HG1  VAL  49          1HG1      VAL  49  51.591  -2.417   7.259
    5   2HG1  VAL  49          2HG1      VAL  49  52.962  -1.770   6.359
    6   3HG1  VAL  49          3HG1      VAL  49  51.317  -1.358   5.875
    7   1HG2  VAL  49          1HG2      VAL  49  53.058  -3.991   3.649
    8   2HG2  VAL  49          2HG2      VAL  49  52.172  -2.487   3.403
    9   3HG2  VAL  49          3HG2      VAL  49  53.637  -2.497   4.385
   10    HA   PRO  50           HA       PRO  50  49.647  -7.564   6.615
   11   1HB   PRO  50          1HB       PRO  50  47.272  -6.262   7.190
   12   2HB   PRO  50          2HB       PRO  50  48.462  -6.787   8.381
   13   1HG   PRO  50          1HG       PRO  50  47.869  -4.033   7.481
   14   2HG   PRO  50          2HG       PRO  50  48.663  -4.584   8.954
   15   1HD   PRO  50          1HD       PRO  50  49.924  -3.509   6.636
   16   2HD   PRO  50          2HD       PRO  50  50.717  -4.226   8.056
   17    H    GLY  51           H        GLY  51  47.439  -8.143   5.465
   18   1HA   GLY  51          1HA       GLY  51  47.422  -6.742   2.817
   19   2HA   GLY  51          2HA       GLY  51  47.352  -8.498   2.943
   20    H    LEU  52           H        LEU  52  45.376  -9.198   2.455
   21    HA   LEU  52           HA       LEU  52  43.048  -8.471   1.810
   22   1HB   LEU  52          1HB       LEU  52  43.187 -10.680   2.783
   23   2HB   LEU  52          2HB       LEU  52  43.236  -9.990   4.413
   24    HG   LEU  52           HG       LEU  52  40.975  -9.198   2.637
   25   1HD1  LEU  52          1HD1      LEU  52  41.513 -11.956   3.560
   26   2HD1  LEU  52          2HD1      LEU  52  39.899 -11.346   3.928
   27   3HD1  LEU  52          3HD1      LEU  52  40.465 -11.389   2.260
   28   1HD2  LEU  52          1HD2      LEU  52  41.688  -9.194   5.455
   29   2HD2  LEU  52          2HD2      LEU  52  40.495  -8.222   4.595
   30   3HD2  LEU  52          3HD2      LEU  52  40.073  -9.832   5.176
   31    H    CYS  53           H        CYS  53  43.381  -8.227   5.246
   32    HA   CYS  53           HA       CYS  53  43.160  -5.812   6.121
   33   1HB   CYS  53          1HB       CYS  53  41.578  -5.156   4.371
   34   2HB   CYS  53          2HB       CYS  53  40.406  -6.329   4.957
   35    HA   PRO  54           HA       PRO  54  41.960  -8.430   9.513
   36   1HB   PRO  54          1HB       PRO  54  42.833  -6.715  11.473
   37   2HB   PRO  54          2HB       PRO  54  43.913  -7.777  10.553
   38   1HG   PRO  54          1HG       PRO  54  43.534  -4.831  10.321
   39   2HG   PRO  54          2HG       PRO  54  44.948  -5.818   9.909
   40   1HD   PRO  54          1HD       PRO  54  43.049  -4.773   8.077
   41   2HD   PRO  54          2HD       PRO  54  44.290  -5.995   7.721
   42    H    ARG  55           H        ARG  55  40.346  -5.931   8.316
   43    HA   ARG  55           HA       ARG  55  38.547  -5.640  10.682
   44   1HB   ARG  55          1HB       ARG  55  39.804  -3.564   9.627
   45   2HB   ARG  55          2HB       ARG  55  38.543  -3.688   8.398
   46   1HG   ARG  55          1HG       ARG  55  37.456  -2.313   9.897
   47   2HG   ARG  55          2HG       ARG  55  36.984  -3.877  10.562
   48   1HD   ARG  55          1HD       ARG  55  39.034  -3.749  12.047
   49   2HD   ARG  55          2HD       ARG  55  39.234  -2.084  11.504
   50    HE   ARG  55           HE       ARG  55  36.556  -2.516  12.480
   51   1HH1  ARG  55          1HH1      ARG  55  38.757  -3.618  14.449
   52   2HH1  ARG  55          2HH1      ARG  55  38.856  -2.274  15.538
   53   1HH2  ARG  55          1HH2      ARG  55  37.148  -0.108  13.436
   54   2HH2  ARG  55          2HH2      ARG  55  37.941  -0.286  14.965
   55    H    CYS  56           H        CYS  56  38.564  -5.541   7.098
   56    HA   CYS  56           HA       CYS  56  35.881  -6.828   7.181
   57   1HB   CYS  56          1HB       CYS  56  35.486  -5.960   4.962
   58   2HB   CYS  56          2HB       CYS  56  36.071  -4.621   5.941
   59    H    LYS  57           H        LYS  57  36.454  -7.495   4.253
   60    HA   LYS  57           HA       LYS  57  38.603  -9.331   4.247
   61   1HB   LYS  57          1HB       LYS  57  36.954 -11.325   3.798
   62   2HB   LYS  57          2HB       LYS  57  37.341 -10.884   5.464
   63   1HG   LYS  57          1HG       LYS  57  35.261  -9.263   5.176
   64   2HG   LYS  57          2HG       LYS  57  34.820 -10.410   3.911
   65   1HD   LYS  57          1HD       LYS  57  33.795 -11.180   5.950
   66   2HD   LYS  57          2HD       LYS  57  35.149 -12.259   5.614
   67   1HE   LYS  57          1HE       LYS  57  36.159 -10.062   7.124
   68   2HE   LYS  57          2HE       LYS  57  34.707 -10.643   7.938
   69   1HZ   LYS  57          1HZ       LYS  57  35.710 -12.944   7.582
   70   2HZ   LYS  57          2HZ       LYS  57  37.168 -12.133   7.276
   71   3HZ   LYS  57          3HZ       LYS  57  36.403 -11.961   8.783
   72    H    ARG  58           H        ARG  58  37.388  -7.126   2.715
   73    HA   ARG  58           HA       ARG  58  37.085  -8.576   0.121
   74   1HB   ARG  58          1HB       ARG  58  34.988  -7.412   1.191
   75   2HB   ARG  58          2HB       ARG  58  35.768  -5.926   0.638
   76   1HG   ARG  58          1HG       ARG  58  35.606  -6.525  -1.617
   77   2HG   ARG  58          2HG       ARG  58  35.456  -8.244  -1.252
   78   1HD   ARG  58          1HD       ARG  58  33.243  -7.497  -0.039
   79   2HD   ARG  58          2HD       ARG  58  33.374  -6.087  -1.090
   80    HE   ARG  58           HE       ARG  58  33.272  -8.885  -2.151
   81   1HH1  ARG  58          1HH1      ARG  58  33.999  -6.649  -4.023
   82   2HH1  ARG  58          2HH1      ARG  58  32.461  -6.244  -4.710
   83   1HH2  ARG  58          1HH2      ARG  58  30.637  -7.878  -2.256
   84   2HH2  ARG  58          2HH2      ARG  58  30.558  -6.936  -3.707
   85    H    GLY  59           H        GLY  59  39.441  -7.172   1.541
   86   1HA   GLY  59          1HA       GLY  59  40.226  -5.659  -0.875
   87   2HA   GLY  59          2HA       GLY  59  40.121  -4.708   0.606
   88    H    LYS  60           H        LYS  60  42.188  -4.298   1.024
   89    HA   LYS  60           HA       LYS  60  43.942  -6.420   2.020
   90   1HB   LYS  60          1HB       LYS  60  44.198  -5.377  -0.698
   91   2HB   LYS  60          2HB       LYS  60  45.617  -4.969   0.266
   92   1HG   LYS  60          1HG       LYS  60  45.033  -7.642   0.911
   93   2HG   LYS  60          2HG       LYS  60  44.832  -7.534  -0.836
   94   1HD   LYS  60          1HD       LYS  60  47.147  -6.039  -0.249
   95   2HD   LYS  60          2HD       LYS  60  47.277  -7.512   0.712
   96   1HE   LYS  60          1HE       LYS  60  46.389  -7.771  -2.131
   97   2HE   LYS  60          2HE       LYS  60  48.095  -7.448  -1.824
   98   1HZ   LYS  60          1HZ       LYS  60  47.552  -9.362  -0.022
   99   2HZ   LYS  60          2HZ       LYS  60  46.550  -9.829  -1.312
  100   3HZ   LYS  60          3HZ       LYS  60  48.218  -9.650  -1.558
  101    H    HIS  61           H        HIS  61  43.326  -4.882   3.861
  102    HA   HIS  61           HA       HIS  61  45.381  -2.890   4.281
  103   1HB   HIS  61          1HB       HIS  61  43.790  -0.948   4.246
  104   2HB   HIS  61          2HB       HIS  61  44.214  -1.585   2.642
  105    HD1  HIS  61           HD1      HIS  61  42.242  -2.278   1.197
  106    HD2  HIS  61           HD2      HIS  61  41.272  -2.271   5.250
  107    HE1  HIS  61           HE1      HIS  61  39.786  -2.928   1.357
  108    H    TRP  62           H        TRP  62  44.301  -1.125   5.960
  109    HA   TRP  62           HA       TRP  62  42.994  -2.818   8.035
  110   1HB   TRP  62          1HB       TRP  62  44.463  -0.781   9.291
  111   2HB   TRP  62          2HB       TRP  62  44.863  -2.486   9.185
  112    HD1  TRP  62           HD1      TRP  62  46.234   0.732   8.338
  113    HE1  TRP  62           HE1      TRP  62  48.182   0.529   6.663
  114    HE3  TRP  62           HE3      TRP  62  45.467  -4.022   6.736
  115    HZ2  TRP  62           HZ2      TRP  62  49.255  -1.422   4.854
  116    HZ3  TRP  62           HZ3      TRP  62  46.919  -5.016   5.020
  117    HH2  TRP  62           HH2      TRP  62  48.838  -3.753   4.099
  118    H    ALA  63           H        ALA  63  42.199  -1.328   9.909
  119    HA   ALA  63           HA       ALA  63  39.904   0.020   9.308
  120   1HB   ALA  63          1HB       ALA  63  41.941   0.498  11.468
  121   2HB   ALA  63          2HB       ALA  63  40.532   1.553  11.346
  122   3HB   ALA  63          3HB       ALA  63  40.318  -0.178  11.603
  123    H    ASN  64           H        ASN  64  42.449   2.246  10.337
  124    HA   ASN  64           HA       ASN  64  41.547   4.378   8.697
  125   1HB   ASN  64          1HB       ASN  64  44.320   3.802   9.795
  126   2HB   ASN  64          2HB       ASN  64  43.853   5.332   9.046
  127   1HD2  ASN  64          1HD2      ASN  64  44.368   6.250  11.280
  128   2HD2  ASN  64          2HD2      ASN  64  43.161   6.180  12.471
  129    H    GLU  65           H        GLU  65  41.157   3.550   6.632
  130    HA   GLU  65           HA       GLU  65  42.168   3.790   4.364
  131   1HB   GLU  65          1HB       GLU  65  44.483   3.601   5.178
  132   2HB   GLU  65          2HB       GLU  65  44.208   1.903   5.582
  133   1HG   GLU  65          1HG       GLU  65  44.624   1.287   3.451
  134   2HG   GLU  65          2HG       GLU  65  43.393   2.401   2.854
  135    H    CYS  66           H        CYS  66  40.141   2.220   5.831
  136    HA   CYS  66           HA       CYS  66  40.180  -0.238   4.129
  137   1HB   CYS  66          1HB       CYS  66  40.474  -1.058   6.341
  138   2HB   CYS  66          2HB       CYS  66  39.346   0.114   7.014
  139    H    LYS  67           H        LYS  67  38.280  -0.749   3.106
  140    HA   LYS  67           HA       LYS  67  35.864   0.877   3.681
  141   1HB   LYS  67          1HB       LYS  67  37.339   1.699   1.624
  142   2HB   LYS  67          2HB       LYS  67  36.582   0.325   0.815
  143   1HG   LYS  67          1HG       LYS  67  35.071   2.060   0.368
  144   2HG   LYS  67          2HG       LYS  67  34.360   1.298   1.791
  145   1HD   LYS  67          1HD       LYS  67  36.071   3.081   2.956
  146   2HD   LYS  67          2HD       LYS  67  35.598   3.965   1.505
  147   1HE   LYS  67          1HE       LYS  67  33.466   2.598   3.104
  148   2HE   LYS  67          2HE       LYS  67  34.131   4.114   3.709
  149   1HZ   LYS  67          1HZ       LYS  67  33.424   4.032   0.887
  150   2HZ   LYS  67          2HZ       LYS  67  32.131   4.011   1.989
  151   3HZ   LYS  67          3HZ       LYS  67  33.252   5.288   2.014
  152    H    SER  68           H        SER  68  33.919  -0.245   3.146
  153    HA   SER  68           HA       SER  68  34.081  -2.886   1.938
  154   1HB   SER  68          1HB       SER  68  34.641  -2.531   4.712
  155   2HB   SER  68          2HB       SER  68  33.108  -3.412   4.559
  156    HG   SER  68           HG       SER  68  34.520  -4.562   2.813
  157    H    LYS  69           H        LYS  69  32.399  -0.330   1.906
  158    HA   LYS  69           HA       LYS  69  29.869  -0.639   3.042
  159   1HB   LYS  69          1HB       LYS  69  30.960   0.868   0.897
  160   2HB   LYS  69          2HB       LYS  69  29.524   0.063   0.264
  161   1HG   LYS  69          1HG       LYS  69  28.320   0.870   2.375
  162   2HG   LYS  69          2HG       LYS  69  29.719   1.909   2.650
  163   1HD   LYS  69          1HD       LYS  69  29.380   3.049   0.554
  164   2HD   LYS  69          2HD       LYS  69  28.139   1.894   0.066
  165   1HE   LYS  69          1HE       LYS  69  27.985   3.981   2.244
  166   2HE   LYS  69          2HE       LYS  69  26.939   3.797   0.837
  167   1HZ   LYS  69          1HZ       LYS  69  26.364   1.546   1.822
  168   2HZ   LYS  69          2HZ       LYS  69  27.071   2.110   3.259
  169   3HZ   LYS  69          3HZ       LYS  69  25.728   2.913   2.604
  170    H    THR  70           H        THR  70  29.248  -2.785   3.245
  171    HA   THR  70           HA       THR  70  28.752  -4.258   0.696
  172    HB   THR  70           HB       THR  70  30.032  -5.002   3.246
  173    HG1  THR  70           HG1      THR  70  29.930  -6.349   0.762
  174   1HG2  THR  70          1HG2      THR  70  27.801  -6.683   2.120
  175   2HG2  THR  70          2HG2      THR  70  29.187  -7.439   2.902
  176   3HG2  THR  70          3HG2      THR  70  28.176  -6.315   3.799
  177    H    ASP  71           H        ASP  71  27.514  -3.526   3.949
  178    HA   ASP  71           HA       ASP  71  24.787  -3.636   2.940
  179   1HB   ASP  71          1HB       ASP  71  25.866  -6.082   3.749
  180   2HB   ASP  71          2HB       ASP  71  24.900  -5.553   5.126
  181    H    ASN  72           H        ASN  72  26.454  -4.130   6.095
  182    HA   ASN  72           HA       ASN  72  24.561  -2.189   7.270
  183   1HB   ASN  72          1HB       ASN  72  24.988  -4.311   8.469
  184   2HB   ASN  72          2HB       ASN  72  26.692  -3.872   8.614
  185   1HD2  ASN  72          1HD2      ASN  72  24.037  -1.526   8.901
  186   2HD2  ASN  72          2HD2      ASN  72  24.282  -1.189  10.543
  187    H    GLN  73           H        GLN  73  27.984  -2.596   8.191
  188    HA   GLN  73           HA       GLN  73  28.282   0.342   7.723
  189   1HB   GLN  73          1HB       GLN  73  28.895  -1.365  10.051
  190   2HB   GLN  73          2HB       GLN  73  30.164  -0.214   9.617
  191   1HG   GLN  73          1HG       GLN  73  28.749   1.645   9.898
  192   2HG   GLN  73          2HG       GLN  73  27.286   0.664   9.792
  193   1HE2  GLN  73          1HE2      GLN  73  26.388   1.088  11.865
  194   2HE2  GLN  73          2HE2      GLN  73  27.183   0.705  13.325
  195    H    GLY  74           H        GLY  74  30.961  -1.653   8.775
  196   1HA   GLY  74          1HA       GLY  74  32.105  -1.419   6.019
  197   2HA   GLY  74          2HA       GLY  74  33.059  -1.054   7.457
  198    H    ASN  75           H        ASN  75  31.209  -3.573   8.432
  199    HA   ASN  75           HA       ASN  75  33.159  -5.574   7.366
  200   1HB   ASN  75          1HB       ASN  75  32.036  -5.322  10.137
  201   2HB   ASN  75          2HB       ASN  75  33.131  -6.605   9.607
  202   1HD2  ASN  75          1HD2      ASN  75  33.043  -3.506  11.020
  203   2HD2  ASN  75          2HD2      ASN  75  34.672  -3.074  10.765
  204    HA   PRO  76           HA       PRO  76  28.762  -7.408   7.504
  205   1HB   PRO  76          1HB       PRO  76  27.400  -6.311   5.418
  206   2HB   PRO  76          2HB       PRO  76  27.378  -5.579   7.034
  207   1HG   PRO  76          1HG       PRO  76  28.786  -4.643   4.587
  208   2HG   PRO  76          2HG       PRO  76  28.273  -3.717   6.006
  209   1HD   PRO  76          1HD       PRO  76  30.918  -4.700   5.431
  210   2HD   PRO  76          2HD       PRO  76  30.353  -3.873   6.892
  211    H    ILE  77           H        ILE  77  31.396  -7.363   5.857
  212    HA   ILE  77           HA       ILE  77  30.975  -8.070   3.222
  213    HB   ILE  77           HB       ILE  77  33.071  -9.554   4.767
  214   1HG1  ILE  77          1HG1      ILE  77  33.214  -7.415   5.848
  215   2HG1  ILE  77          2HG1      ILE  77  34.466  -7.425   4.607
  216   1HG2  ILE  77          1HG2      ILE  77  32.811  -8.221   2.075
  217   2HG2  ILE  77          2HG2      ILE  77  34.390  -8.649   2.734
  218   3HG2  ILE  77          3HG2      ILE  77  33.189  -9.906   2.437
  219   1HD1  ILE  77          1HD1      ILE  77  31.730  -6.326   3.981
  220   2HD1  ILE  77          2HD1      ILE  77  32.915  -5.330   4.821
  221   3HD1  ILE  77          3HD1      ILE  77  33.274  -5.957   3.215
  222    HA   PRO  78           HA       PRO  78  28.930 -11.983   3.597
  223   1HB   PRO  78          1HB       PRO  78  28.992 -12.625   0.928
  224   2HB   PRO  78          2HB       PRO  78  27.870 -11.439   1.624
  225   1HG   PRO  78          1HG       PRO  78  30.293 -10.973  -0.044
  226   2HG   PRO  78          2HG       PRO  78  28.868  -9.943   0.176
  227   1HD   PRO  78          1HD       PRO  78  31.409  -9.605   1.418
  228   2HD   PRO  78          2HD       PRO  78  29.913  -8.732   1.811
  229    HA   PRO  79           HA       PRO  79  32.576 -14.611   3.619
  230   1HB   PRO  79          1HB       PRO  79  31.375 -16.687   4.961
  231   2HB   PRO  79          2HB       PRO  79  31.991 -15.227   5.762
  232   1HG   PRO  79          1HG       PRO  79  29.169 -16.009   5.195
  233   2HG   PRO  79          2HG       PRO  79  29.809 -14.964   6.474
  234   1HD   PRO  79          1HD       PRO  79  28.554 -14.088   4.091
  235   2HD   PRO  79          2HD       PRO  79  29.489 -13.076   5.214
  236    H    HIS  80           H        HIS  80  32.858 -15.336   1.494
  237    HA   HIS  80           HA       HIS  80  31.185 -17.671   0.678
  238   1HB   HIS  80          1HB       HIS  80  31.841 -15.183  -0.881
  239   2HB   HIS  80          2HB       HIS  80  31.593 -16.710  -1.728
  240    HD1  HIS  80           HD1      HIS  80  29.766 -13.882  -0.455
  241    HD2  HIS  80           HD2      HIS  80  28.951 -17.949  -0.869
  242    HE1  HIS  80           HE1      HIS  80  27.249 -14.125  -0.321
  Start of MODEL    4
    1    H    VAL  49           H        VAL  49  51.003  -2.985   3.637
    2    HA   VAL  49           HA       VAL  49  53.348  -4.619   3.299
    3    HB   VAL  49           HB       VAL  49  53.083  -4.547   6.116
    4   1HG1  VAL  49          1HG1      VAL  49  55.041  -5.098   4.480
    5   2HG1  VAL  49          2HG1      VAL  49  55.372  -3.369   4.576
    6   3HG1  VAL  49          3HG1      VAL  49  55.408  -4.355   6.036
    7   1HG2  VAL  49          1HG2      VAL  49  53.589  -1.845   4.821
    8   2HG2  VAL  49          2HG2      VAL  49  52.209  -2.246   5.840
    9   3HG2  VAL  49          3HG2      VAL  49  53.832  -2.212   6.526
   10    HA   PRO  50           HA       PRO  50  50.111  -7.136   5.726
   11   1HB   PRO  50          1HB       PRO  50  47.933  -5.689   6.655
   12   2HB   PRO  50          2HB       PRO  50  49.371  -6.081   7.615
   13   1HG   PRO  50          1HG       PRO  50  48.619  -3.472   6.373
   14   2HG   PRO  50          2HG       PRO  50  49.620  -3.793   7.788
   15   1HD   PRO  50          1HD       PRO  50  50.584  -3.109   5.248
   16   2HD   PRO  50          2HD       PRO  50  51.531  -3.843   6.542
   17    H    GLY  51           H        GLY  51  47.626  -7.729   5.165
   18   1HA   GLY  51          1HA       GLY  51  47.097  -6.612   2.439
   19   2HA   GLY  51          2HA       GLY  51  47.145  -8.351   2.698
   20    H    LEU  52           H        LEU  52  45.135  -8.934   2.261
   21    HA   LEU  52           HA       LEU  52  42.750  -8.446   2.015
   22   1HB   LEU  52          1HB       LEU  52  43.209 -10.599   3.068
   23   2HB   LEU  52          2HB       LEU  52  43.260  -9.816   4.655
   24    HG   LEU  52           HG       LEU  52  40.874  -9.369   2.913
   25   1HD1  LEU  52          1HD1      LEU  52  41.730 -11.962   3.926
   26   2HD1  LEU  52          2HD1      LEU  52  40.175 -11.482   4.602
   27   3HD1  LEU  52          3HD1      LEU  52  40.386 -11.575   2.854
   28   1HD2  LEU  52          1HD2      LEU  52  41.660  -9.080   5.716
   29   2HD2  LEU  52          2HD2      LEU  52  40.468  -8.178   4.777
   30   3HD2  LEU  52          3HD2      LEU  52  40.046  -9.738   5.485
   31    H    CYS  53           H        CYS  53  43.372  -8.114   5.386
   32    HA   CYS  53           HA       CYS  53  43.135  -5.707   6.284
   33   1HB   CYS  53          1HB       CYS  53  41.452  -5.089   4.630
   34   2HB   CYS  53          2HB       CYS  53  40.337  -6.289   5.273
   35    HA   PRO  54           HA       PRO  54  42.239  -8.289   9.784
   36   1HB   PRO  54          1HB       PRO  54  43.038  -6.452  11.666
   37   2HB   PRO  54          2HB       PRO  54  44.166  -7.454  10.736
   38   1HG   PRO  54          1HG       PRO  54  43.537  -4.554  10.431
   39   2HG   PRO  54          2HG       PRO  54  45.019  -5.433  10.008
   40   1HD   PRO  54          1HD       PRO  54  43.005  -4.606   8.199
   41   2HD   PRO  54          2HD       PRO  54  44.313  -5.757   7.852
   42    H    ARG  55           H        ARG  55  40.424  -5.865   8.632
   43    HA   ARG  55           HA       ARG  55  38.666  -5.756  11.043
   44   1HB   ARG  55          1HB       ARG  55  39.687  -3.647   9.353
   45   2HB   ARG  55          2HB       ARG  55  37.928  -3.700   9.240
   46   1HG   ARG  55          1HG       ARG  55  38.010  -3.904  11.842
   47   2HG   ARG  55          2HG       ARG  55  39.647  -3.271  11.672
   48   1HD   ARG  55          1HD       ARG  55  38.842  -1.189  11.410
   49   2HD   ARG  55          2HD       ARG  55  37.885  -1.715  10.026
   50    HE   ARG  55           HE       ARG  55  36.010  -2.079  11.510
   51   1HH1  ARG  55          1HH1      ARG  55  38.138  -2.652  13.805
   52   2HH1  ARG  55          2HH1      ARG  55  37.669  -1.410  14.918
   53   1HH2  ARG  55          1HH2      ARG  55  35.713   0.287  12.613
   54   2HH2  ARG  55          2HH2      ARG  55  36.298   0.253  14.243
   55    H    CYS  56           H        CYS  56  38.588  -5.603   7.450
   56    HA   CYS  56           HA       CYS  56  35.954  -6.987   7.607
   57   1HB   CYS  56          1HB       CYS  56  35.430  -6.093   5.429
   58   2HB   CYS  56          2HB       CYS  56  36.036  -4.752   6.393
   59    H    LYS  57           H        LYS  57  36.392  -7.597   4.670
   60    HA   LYS  57           HA       LYS  57  38.580  -9.389   4.499
   61   1HB   LYS  57          1HB       LYS  57  35.884 -10.396   5.256
   62   2HB   LYS  57          2HB       LYS  57  36.784 -11.334   4.060
   63   1HG   LYS  57          1HG       LYS  57  38.767 -11.060   5.774
   64   2HG   LYS  57          2HG       LYS  57  37.465 -10.772   6.929
   65   1HD   LYS  57          1HD       LYS  57  37.163 -13.104   5.096
   66   2HD   LYS  57          2HD       LYS  57  38.357 -13.244   6.386
   67   1HE   LYS  57          1HE       LYS  57  35.669 -12.160   7.102
   68   2HE   LYS  57          2HE       LYS  57  35.794 -13.889   6.783
   69   1HZ   LYS  57          1HZ       LYS  57  37.549 -12.409   8.664
   70   2HZ   LYS  57          2HZ       LYS  57  36.167 -13.283   9.132
   71   3HZ   LYS  57          3HZ       LYS  57  37.490 -14.088   8.431
   72    H    ARG  58           H        ARG  58  37.118  -7.172   3.081
   73    HA   ARG  58           HA       ARG  58  36.707  -8.606   0.489
   74   1HB   ARG  58          1HB       ARG  58  34.820  -7.137   1.896
   75   2HB   ARG  58          2HB       ARG  58  35.439  -5.975   0.718
   76   1HG   ARG  58          1HG       ARG  58  34.530  -8.774  -0.008
   77   2HG   ARG  58          2HG       ARG  58  33.488  -7.354  -0.109
   78   1HD   ARG  58          1HD       ARG  58  34.885  -6.330  -1.759
   79   2HD   ARG  58          2HD       ARG  58  36.173  -7.505  -1.493
   80    HE   ARG  58           HE       ARG  58  34.011  -9.051  -2.288
   81   1HH1  ARG  58          1HH1      ARG  58  36.222  -6.762  -3.529
   82   2HH1  ARG  58          2HH1      ARG  58  35.707  -6.937  -5.174
   83   1HH2  ARG  58          1HH2      ARG  58  33.106  -9.098  -4.408
   84   2HH2  ARG  58          2HH2      ARG  58  33.943  -8.261  -5.672
   85    H    GLY  59           H        GLY  59  39.053  -7.054   1.890
   86   1HA   GLY  59          1HA       GLY  59  39.819  -5.656  -0.607
   87   2HA   GLY  59          2HA       GLY  59  39.691  -4.638   0.830
   88    H    LYS  60           H        LYS  60  41.962  -4.247   0.768
   89    HA   LYS  60           HA       LYS  60  43.567  -6.337   2.087
   90   1HB   LYS  60          1HB       LYS  60  44.757  -4.765  -0.183
   91   2HB   LYS  60          2HB       LYS  60  45.241  -6.313   0.483
   92   1HG   LYS  60          1HG       LYS  60  43.303  -7.414  -0.501
   93   2HG   LYS  60          2HG       LYS  60  42.702  -5.864  -1.090
   94   1HD   LYS  60          1HD       LYS  60  45.068  -5.725  -2.246
   95   2HD   LYS  60          2HD       LYS  60  45.039  -7.479  -2.057
   96   1HE   LYS  60          1HE       LYS  60  42.898  -5.821  -3.427
   97   2HE   LYS  60          2HE       LYS  60  44.109  -6.808  -4.245
   98   1HZ   LYS  60          1HZ       LYS  60  42.440  -8.069  -2.194
   99   2HZ   LYS  60          2HZ       LYS  60  41.741  -7.743  -3.707
  100   3HZ   LYS  60          3HZ       LYS  60  43.113  -8.735  -3.604
  101    H    HIS  61           H        HIS  61  43.185  -4.769   3.900
  102    HA   HIS  61           HA       HIS  61  45.267  -2.735   3.985
  103   1HB   HIS  61          1HB       HIS  61  43.584  -0.867   4.322
  104   2HB   HIS  61          2HB       HIS  61  43.858  -1.392   2.645
  105    HD1  HIS  61           HD1      HIS  61  41.837  -2.279   1.377
  106    HD2  HIS  61           HD2      HIS  61  41.177  -2.203   5.498
  107    HE1  HIS  61           HE1      HIS  61  39.425  -3.005   1.738
  108    H    TRP  62           H        TRP  62  44.620  -1.074   5.813
  109    HA   TRP  62           HA       TRP  62  43.988  -2.794   8.133
  110   1HB   TRP  62          1HB       TRP  62  45.130  -0.215   8.783
  111   2HB   TRP  62          2HB       TRP  62  45.759  -1.831   9.065
  112    HD1  TRP  62           HD1      TRP  62  46.961   1.079   7.607
  113    HE1  TRP  62           HE1      TRP  62  48.562   0.689   5.625
  114    HE3  TRP  62           HE3      TRP  62  45.789  -3.752   6.487
  115    HZ2  TRP  62           HZ2      TRP  62  49.236  -1.416   3.773
  116    HZ3  TRP  62           HZ3      TRP  62  46.854  -4.890   4.580
  117    HH2  TRP  62           HH2      TRP  62  48.581  -3.733   3.230
  118    H    ALA  63           H        ALA  63  43.039  -1.578  10.055
  119    HA   ALA  63           HA       ALA  63  40.431  -0.661   9.461
  120   1HB   ALA  63          1HB       ALA  63  41.088  -1.561  11.659
  121   2HB   ALA  63          2HB       ALA  63  42.085  -0.135  11.946
  122   3HB   ALA  63          3HB       ALA  63  40.333   0.024  11.828
  123    H    ASN  64           H        ASN  64  43.069   1.366  10.823
  124    HA   ASN  64           HA       ASN  64  41.941   3.865  10.627
  125   1HB   ASN  64          1HB       ASN  64  44.741   2.918  10.071
  126   2HB   ASN  64          2HB       ASN  64  44.327   4.618   9.823
  127   1HD2  ASN  64          1HD2      ASN  64  44.051   2.037  12.332
  128   2HD2  ASN  64          2HD2      ASN  64  44.210   3.098  13.648
  129    H    GLU  65           H        GLU  65  42.945   1.819   7.983
  130    HA   GLU  65           HA       GLU  65  41.757   3.792   6.086
  131   1HB   GLU  65          1HB       GLU  65  44.235   3.866   5.909
  132   2HB   GLU  65          2HB       GLU  65  44.253   2.124   5.604
  133   1HG   GLU  65          1HG       GLU  65  42.685   2.595   3.640
  134   2HG   GLU  65          2HG       GLU  65  43.066   4.301   3.867
  135    H    CYS  66           H        CYS  66  40.049   2.000   6.915
  136    HA   CYS  66           HA       CYS  66  40.146  -0.208   4.905
  137   1HB   CYS  66          1HB       CYS  66  40.400  -1.337   6.956
  138   2HB   CYS  66          2HB       CYS  66  39.316  -0.237   7.801
  139    H    LYS  67           H        LYS  67  38.091  -0.931   4.135
  140    HA   LYS  67           HA       LYS  67  35.658   0.562   4.699
  141   1HB   LYS  67          1HB       LYS  67  37.336   1.677   2.766
  142   2HB   LYS  67          2HB       LYS  67  36.184   0.730   1.823
  143   1HG   LYS  67          1HG       LYS  67  34.880   2.592   2.031
  144   2HG   LYS  67          2HG       LYS  67  34.504   1.901   3.611
  145   1HD   LYS  67          1HD       LYS  67  35.158   4.250   3.866
  146   2HD   LYS  67          2HD       LYS  67  36.374   3.204   4.600
  147   1HE   LYS  67          1HE       LYS  67  37.224   3.417   1.965
  148   2HE   LYS  67          2HE       LYS  67  36.629   5.035   2.335
  149   1HZ   LYS  67          1HZ       LYS  67  37.955   4.612   4.535
  150   2HZ   LYS  67          2HZ       LYS  67  38.832   3.540   3.552
  151   3HZ   LYS  67          3HZ       LYS  67  38.738   5.183   3.140
  152    H    SER  68           H        SER  68  33.822  -0.417   3.438
  153    HA   SER  68           HA       SER  68  34.343  -2.815   1.905
  154   1HB   SER  68          1HB       SER  68  34.583  -2.992   4.699
  155   2HB   SER  68          2HB       SER  68  33.032  -3.753   4.312
  156    HG   SER  68           HG       SER  68  34.179  -4.999   2.733
  157    H    LYS  69           H        LYS  69  32.712  -1.284   0.795
  158    HA   LYS  69           HA       LYS  69  30.039  -1.032   1.817
  159   1HB   LYS  69          1HB       LYS  69  30.820  -1.199  -1.111
  160   2HB   LYS  69          2HB       LYS  69  29.427  -0.367  -0.418
  161   1HG   LYS  69          1HG       LYS  69  31.409   0.857   0.955
  162   2HG   LYS  69          2HG       LYS  69  32.273   0.480  -0.536
  163   1HD   LYS  69          1HD       LYS  69  31.120   2.029  -1.718
  164   2HD   LYS  69          2HD       LYS  69  29.580   1.534  -1.018
  165   1HE   LYS  69          1HE       LYS  69  29.912   3.762  -0.255
  166   2HE   LYS  69          2HE       LYS  69  30.346   2.741   1.117
  167   1HZ   LYS  69          1HZ       LYS  69  32.691   2.870   0.216
  168   2HZ   LYS  69          2HZ       LYS  69  32.144   4.141  -0.770
  169   3HZ   LYS  69          3HZ       LYS  69  32.074   4.282   0.923
  170    H    THR  70           H        THR  70  29.500  -3.132   2.642
  171    HA   THR  70           HA       THR  70  29.069  -5.199   0.525
  172    HB   THR  70           HB       THR  70  30.243  -5.329   3.238
  173    HG1  THR  70           HG1      THR  70  31.527  -5.941   1.628
  174   1HG2  THR  70          1HG2      THR  70  28.352  -7.502   2.283
  175   2HG2  THR  70          2HG2      THR  70  29.471  -7.649   3.636
  176   3HG2  THR  70          3HG2      THR  70  28.137  -6.500   3.717
  177    H    ASP  71           H        ASP  71  27.751  -3.772   3.523
  178    HA   ASP  71           HA       ASP  71  25.060  -4.550   2.514
  179   1HB   ASP  71          1HB       ASP  71  25.971  -6.176   4.287
  180   2HB   ASP  71          2HB       ASP  71  25.757  -4.854   5.434
  181    H    ASN  72           H        ASN  72  26.127  -3.036   5.586
  182    HA   ASN  72           HA       ASN  72  24.805  -0.530   4.650
  183   1HB   ASN  72          1HB       ASN  72  23.356  -2.071   6.164
  184   2HB   ASN  72          2HB       ASN  72  24.417  -1.522   7.465
  185   1HD2  ASN  72          1HD2      ASN  72  24.051   0.572   8.312
  186   2HD2  ASN  72          2HD2      ASN  72  22.905   1.656   7.687
  187    H    GLN  73           H        GLN  73  27.274  -2.045   6.648
  188    HA   GLN  73           HA       GLN  73  28.240   0.690   7.335
  189   1HB   GLN  73          1HB       GLN  73  28.388  -1.922   8.848
  190   2HB   GLN  73          2HB       GLN  73  29.398  -0.537   9.249
  191   1HG   GLN  73          1HG       GLN  73  26.379  -0.443   9.099
  192   2HG   GLN  73          2HG       GLN  73  27.294  -0.619  10.596
  193   1HE2  GLN  73          1HE2      GLN  73  26.178   1.668   8.223
  194   2HE2  GLN  73          2HE2      GLN  73  26.929   3.044   8.896
  195    H    GLY  74           H        GLY  74  30.626  -1.395   8.272
  196   1HA   GLY  74          1HA       GLY  74  31.879  -1.412   5.562
  197   2HA   GLY  74          2HA       GLY  74  32.770  -0.826   6.971
  198    H    ASN  75           H        ASN  75  30.990  -3.216   8.263
  199    HA   ASN  75           HA       ASN  75  32.976  -5.320   7.513
  200   1HB   ASN  75          1HB       ASN  75  31.919  -4.473  10.177
  201   2HB   ASN  75          2HB       ASN  75  32.711  -6.032   9.952
  202   1HD2  ASN  75          1HD2      ASN  75  33.256  -2.531   9.392
  203   2HD2  ASN  75          2HD2      ASN  75  34.944  -2.592   9.618
  204    HA   PRO  76           HA       PRO  76  28.577  -7.115   7.813
  205   1HB   PRO  76          1HB       PRO  76  27.405  -6.459   5.432
  206   2HB   PRO  76          2HB       PRO  76  27.243  -5.436   6.873
  207   1HG   PRO  76          1HG       PRO  76  28.849  -4.957   4.421
  208   2HG   PRO  76          2HG       PRO  76  28.241  -3.792   5.605
  209   1HD   PRO  76          1HD       PRO  76  30.915  -4.849   5.425
  210   2HD   PRO  76          2HD       PRO  76  30.247  -3.775   6.666
  211    H    ILE  77           H        ILE  77  31.325  -7.363   6.338
  212    HA   ILE  77           HA       ILE  77  31.036  -8.643   3.915
  213    HB   ILE  77           HB       ILE  77  33.107  -9.768   5.736
  214   1HG1  ILE  77          1HG1      ILE  77  33.117  -7.485   6.537
  215   2HG1  ILE  77          2HG1      ILE  77  34.465  -7.655   5.411
  216   1HG2  ILE  77          1HG2      ILE  77  33.118  -8.584   2.945
  217   2HG2  ILE  77          2HG2      ILE  77  34.502  -9.345   3.730
  218   3HG2  ILE  77          3HG2      ILE  77  33.070 -10.302   3.344
  219   1HD1  ILE  77          1HD1      ILE  77  31.814  -6.740   4.353
  220   2HD1  ILE  77          2HD1      ILE  77  32.816  -5.591   5.239
  221   3HD1  ILE  77          3HD1      ILE  77  33.437  -6.362   3.780
  222    HA   PRO  78           HA       PRO  78  28.982 -12.370   5.284
  223   1HB   PRO  78          1HB       PRO  78  28.662 -13.433   2.769
  224   2HB   PRO  78          2HB       PRO  78  27.621 -12.158   3.433
  225   1HG   PRO  78          1HG       PRO  78  29.762 -11.947   1.371
  226   2HG   PRO  78          2HG       PRO  78  28.344 -10.917   1.625
  227   1HD   PRO  78          1HD       PRO  78  31.010 -10.320   2.403
  228   2HD   PRO  78          2HD       PRO  78  29.547  -9.441   2.899
  229    HA   PRO  79           HA       PRO  79  32.492 -15.108   5.230
  230   1HB   PRO  79          1HB       PRO  79  31.271 -17.203   6.526
  231   2HB   PRO  79          2HB       PRO  79  31.854 -15.745   7.354
  232   1HG   PRO  79          1HG       PRO  79  29.055 -16.551   6.714
  233   2HG   PRO  79          2HG       PRO  79  29.652 -15.496   8.005
  234   1HD   PRO  79          1HD       PRO  79  28.454 -14.646   5.579
  235   2HD   PRO  79          2HD       PRO  79  29.324 -13.617   6.736
  236    H    HIS  80           H        HIS  80  33.121 -17.122   4.186
  237    HA   HIS  80           HA       HIS  80  33.033 -18.695   2.448
  238   1HB   HIS  80          1HB       HIS  80  30.566 -18.934   3.955
  239   2HB   HIS  80          2HB       HIS  80  30.293 -19.312   2.253
  240    HD1  HIS  80           HD1      HIS  80  30.810 -21.669   1.640
  241    HD2  HIS  80           HD2      HIS  80  33.044 -20.422   4.933
  242    HE1  HIS  80           HE1      HIS  80  32.182 -23.668   2.375
  Start of MODEL    5
    1    H    VAL  49           H        VAL  49  52.756  -4.449   8.224
    2    HA   VAL  49           HA       VAL  49  52.721  -4.484   5.239
    3    HB   VAL  49           HB       VAL  49  53.821  -6.674   7.008
    4   1HG1  VAL  49          1HG1      VAL  49  53.066  -6.770   4.409
    5   2HG1  VAL  49          2HG1      VAL  49  54.724  -6.201   4.224
    6   3HG1  VAL  49          3HG1      VAL  49  54.402  -7.719   5.061
    7   1HG2  VAL  49          1HG2      VAL  49  55.001  -4.108   6.100
    8   2HG2  VAL  49          2HG2      VAL  49  55.449  -5.132   7.464
    9   3HG2  VAL  49          3HG2      VAL  49  56.001  -5.537   5.840
   10    HA   PRO  50           HA       PRO  50  49.180  -7.092   7.068
   11   1HB   PRO  50          1HB       PRO  50  47.140  -5.221   7.146
   12   2HB   PRO  50          2HB       PRO  50  48.114  -5.704   8.542
   13   1HG   PRO  50          1HG       PRO  50  48.236  -3.168   6.995
   14   2HG   PRO  50          2HG       PRO  50  48.750  -3.502   8.647
   15   1HD   PRO  50          1HD       PRO  50  50.443  -3.270   6.392
   16   2HD   PRO  50          2HD       PRO  50  50.878  -3.878   8.003
   17    H    GLY  51           H        GLY  51  47.363  -7.820   5.664
   18   1HA   GLY  51          1HA       GLY  51  47.534  -6.608   2.928
   19   2HA   GLY  51          2HA       GLY  51  47.432  -8.347   3.190
   20    H    LEU  52           H        LEU  52  45.485  -9.095   2.657
   21    HA   LEU  52           HA       LEU  52  43.214  -8.275   1.792
   22   1HB   LEU  52          1HB       LEU  52  43.180 -10.502   2.596
   23   2HB   LEU  52          2HB       LEU  52  43.401  -9.981   4.267
   24    HG   LEU  52           HG       LEU  52  41.013 -10.692   3.402
   25   1HD1  LEU  52          1HD1      LEU  52  41.902  -9.371   5.565
   26   2HD1  LEU  52          2HD1      LEU  52  40.779  -8.190   4.890
   27   3HD1  LEU  52          3HD1      LEU  52  40.218  -9.813   5.294
   28   1HD2  LEU  52          1HD2      LEU  52  41.451  -8.469   1.754
   29   2HD2  LEU  52          2HD2      LEU  52  39.945  -9.328   1.988
   30   3HD2  LEU  52          3HD2      LEU  52  40.316  -7.926   2.985
   31    H    CYS  53           H        CYS  53  43.298  -8.175   5.250
   32    HA   CYS  53           HA       CYS  53  43.042  -5.720   6.128
   33   1HB   CYS  53          1HB       CYS  53  41.489  -5.108   4.363
   34   2HB   CYS  53          2HB       CYS  53  40.350  -6.340   4.882
   35    HA   PRO  54           HA       PRO  54  41.922  -8.344   9.538
   36   1HB   PRO  54          1HB       PRO  54  42.588  -6.526  11.492
   37   2HB   PRO  54          2HB       PRO  54  43.771  -7.533  10.639
   38   1HG   PRO  54          1HG       PRO  54  43.189  -4.626  10.303
   39   2HG   PRO  54          2HG       PRO  54  44.694  -5.514   9.998
   40   1HD   PRO  54          1HD       PRO  54  42.851  -4.664   8.031
   41   2HD   PRO  54          2HD       PRO  54  44.158  -5.844   7.792
   42    H    ARG  55           H        ARG  55  40.160  -5.966   8.255
   43    HA   ARG  55           HA       ARG  55  38.241  -5.859  10.538
   44   1HB   ARG  55          1HB       ARG  55  39.298  -3.761   8.793
   45   2HB   ARG  55          2HB       ARG  55  37.535  -3.809   8.789
   46   1HG   ARG  55          1HG       ARG  55  37.714  -2.580  10.693
   47   2HG   ARG  55          2HG       ARG  55  38.078  -4.129  11.455
   48   1HD   ARG  55          1HD       ARG  55  40.520  -3.702  10.875
   49   2HD   ARG  55          2HD       ARG  55  40.042  -2.059  10.448
   50    HE   ARG  55           HE       ARG  55  39.218  -1.867  12.848
   51   1HH1  ARG  55          1HH1      ARG  55  42.301  -2.504  12.179
   52   2HH1  ARG  55          2HH1      ARG  55  42.684  -3.396  13.614
   53   1HH2  ARG  55          1HH2      ARG  55  39.376  -3.760  14.589
   54   2HH2  ARG  55          2HH2      ARG  55  41.028  -4.107  14.978
   55    H    CYS  56           H        CYS  56  38.583  -5.972   6.986
   56    HA   CYS  56           HA       CYS  56  35.922  -7.327   6.917
   57   1HB   CYS  56          1HB       CYS  56  35.508  -6.386   4.731
   58   2HB   CYS  56          2HB       CYS  56  36.009  -5.056   5.772
   59    H    LYS  57           H        LYS  57  36.631  -7.862   3.989
   60    HA   LYS  57           HA       LYS  57  38.894  -9.568   4.009
   61   1HB   LYS  57          1HB       LYS  57  37.448 -11.638   3.449
   62   2HB   LYS  57          2HB       LYS  57  37.562 -11.169   5.148
   63   1HG   LYS  57          1HG       LYS  57  35.432  -9.653   4.212
   64   2HG   LYS  57          2HG       LYS  57  35.231 -11.194   3.380
   65   1HD   LYS  57          1HD       LYS  57  34.185 -11.792   5.323
   66   2HD   LYS  57          2HD       LYS  57  35.836 -12.084   5.868
   67   1HE   LYS  57          1HE       LYS  57  35.501  -9.356   6.274
   68   2HE   LYS  57          2HE       LYS  57  33.938 -10.034   6.727
   69   1HZ   LYS  57          1HZ       LYS  57  35.608 -11.773   7.866
   70   2HZ   LYS  57          2HZ       LYS  57  36.528 -10.353   7.984
   71   3HZ   LYS  57          3HZ       LYS  57  34.971 -10.416   8.664
   72    H    ARG  58           H        ARG  58  37.563  -7.365   2.499
   73    HA   ARG  58           HA       ARG  58  37.634  -8.672  -0.180
   74   1HB   ARG  58          1HB       ARG  58  35.304  -7.779   0.901
   75   2HB   ARG  58          2HB       ARG  58  35.881  -6.302   0.125
   76   1HG   ARG  58          1HG       ARG  58  36.270  -7.704  -1.969
   77   2HG   ARG  58          2HG       ARG  58  35.367  -8.990  -1.168
   78   1HD   ARG  58          1HD       ARG  58  34.105  -6.301  -1.154
   79   2HD   ARG  58          2HD       ARG  58  34.183  -7.118  -2.716
   80    HE   ARG  58           HE       ARG  58  33.033  -8.531  -0.351
   81   1HH1  ARG  58          1HH1      ARG  58  33.166  -9.577  -3.246
   82   2HH1  ARG  58          2HH1      ARG  58  31.529  -9.321  -3.751
   83   1HH2  ARG  58          1HH2      ARG  58  30.773  -7.190  -1.122
   84   2HH2  ARG  58          2HH2      ARG  58  30.173  -7.970  -2.547
   85    H    GLY  59           H        GLY  59  39.934  -7.764   0.334
   86   1HA   GLY  59          1HA       GLY  59  40.638  -5.709  -1.354
   87   2HA   GLY  59          2HA       GLY  59  40.220  -4.866   0.138
   88    H    LYS  60           H        LYS  60  42.239  -4.247   0.772
   89    HA   LYS  60           HA       LYS  60  43.968  -6.231   2.046
   90   1HB   LYS  60          1HB       LYS  60  44.518  -5.449  -0.664
   91   2HB   LYS  60          2HB       LYS  60  45.733  -4.706   0.383
   92   1HG   LYS  60          1HG       LYS  60  46.480  -6.780   1.196
   93   2HG   LYS  60          2HG       LYS  60  44.995  -7.606   0.724
   94   1HD   LYS  60          1HD       LYS  60  46.392  -6.365  -1.538
   95   2HD   LYS  60          2HD       LYS  60  47.345  -7.610  -0.730
   96   1HE   LYS  60          1HE       LYS  60  44.462  -8.046  -1.526
   97   2HE   LYS  60          2HE       LYS  60  45.806  -8.421  -2.604
   98   1HZ   LYS  60          1HZ       LYS  60  46.663  -9.643  -0.457
   99   2HZ   LYS  60          2HZ       LYS  60  45.003  -9.713  -0.107
  100   3HZ   LYS  60          3HZ       LYS  60  45.602 -10.400  -1.540
  101    H    HIS  61           H        HIS  61  43.334  -4.789   3.870
  102    HA   HIS  61           HA       HIS  61  45.168  -2.599   4.267
  103   1HB   HIS  61          1HB       HIS  61  43.379  -0.825   4.265
  104   2HB   HIS  61          2HB       HIS  61  43.932  -1.363   2.664
  105    HD1  HIS  61           HD1      HIS  61  42.182  -2.426   1.139
  106    HD2  HIS  61           HD2      HIS  61  40.892  -2.219   5.096
  107    HE1  HIS  61           HE1      HIS  61  39.786  -3.279   1.162
  108    H    TRP  62           H        TRP  62  44.103  -0.972   5.945
  109    HA   TRP  62           HA       TRP  62  42.930  -2.696   8.068
  110   1HB   TRP  62          1HB       TRP  62  44.197  -0.411   9.180
  111   2HB   TRP  62          2HB       TRP  62  44.715  -2.087   9.241
  112    HD1  TRP  62           HD1      TRP  62  45.983   1.084   8.216
  113    HE1  TRP  62           HE1      TRP  62  47.882   0.878   6.483
  114    HE3  TRP  62           HE3      TRP  62  45.310  -3.750   6.775
  115    HZ2  TRP  62           HZ2      TRP  62  48.955  -1.096   4.691
  116    HZ3  TRP  62           HZ3      TRP  62  46.725  -4.747   5.026
  117    HH2  TRP  62           HH2      TRP  62  48.568  -3.441   3.997
  118    H    ALA  63           H        ALA  63  41.886  -1.286   9.856
  119    HA   ALA  63           HA       ALA  63  39.510  -0.148   8.956
  120   1HB   ALA  63          1HB       ALA  63  40.903  -0.354  11.464
  121   2HB   ALA  63          2HB       ALA  63  40.175   1.246  11.328
  122   3HB   ALA  63          3HB       ALA  63  39.171  -0.196  11.174
  123    H    ASN  64           H        ASN  64  42.118   1.893  10.349
  124    HA   ASN  64           HA       ASN  64  41.217   4.384   9.623
  125   1HB   ASN  64          1HB       ASN  64  43.864   3.197  10.021
  126   2HB   ASN  64          2HB       ASN  64  43.895   4.567   8.905
  127   1HD2  ASN  64          1HD2      ASN  64  43.381   6.679   9.751
  128   2HD2  ASN  64          2HD2      ASN  64  43.178   6.968  11.412
  129    H    GLU  65           H        GLU  65  42.434   1.916   7.476
  130    HA   GLU  65           HA       GLU  65  41.691   3.651   5.163
  131   1HB   GLU  65          1HB       GLU  65  44.163   3.539   5.349
  132   2HB   GLU  65          2HB       GLU  65  44.078   1.774   5.321
  133   1HG   GLU  65          1HG       GLU  65  43.838   1.729   3.075
  134   2HG   GLU  65          2HG       GLU  65  42.601   2.987   3.110
  135    H    CYS  66           H        CYS  66  39.754   2.086   6.017
  136    HA   CYS  66           HA       CYS  66  39.862  -0.295   4.223
  137   1HB   CYS  66          1HB       CYS  66  40.098  -1.222   6.423
  138   2HB   CYS  66          2HB       CYS  66  38.851  -0.159   7.073
  139    H    LYS  67           H        LYS  67  37.895  -0.885   3.286
  140    HA   LYS  67           HA       LYS  67  35.467   0.641   3.860
  141   1HB   LYS  67          1HB       LYS  67  37.213   1.534   1.802
  142   2HB   LYS  67          2HB       LYS  67  35.850   0.750   1.004
  143   1HG   LYS  67          1HG       LYS  67  34.299   2.116   2.411
  144   2HG   LYS  67          2HG       LYS  67  35.699   2.970   3.062
  145   1HD   LYS  67          1HD       LYS  67  36.213   3.221   0.421
  146   2HD   LYS  67          2HD       LYS  67  34.451   3.158   0.374
  147   1HE   LYS  67          1HE       LYS  67  35.362   4.862   2.538
  148   2HE   LYS  67          2HE       LYS  67  36.029   5.395   0.995
  149   1HZ   LYS  67          1HZ       LYS  67  33.578   4.961   0.219
  150   2HZ   LYS  67          2HZ       LYS  67  33.237   5.238   1.861
  151   3HZ   LYS  67          3HZ       LYS  67  34.021   6.431   0.945
  152    H    SER  68           H        SER  68  33.639  -0.463   3.166
  153    HA   SER  68           HA       SER  68  33.851  -2.738   1.379
  154   1HB   SER  68          1HB       SER  68  34.660  -3.048   4.054
  155   2HB   SER  68          2HB       SER  68  33.079  -3.847   3.951
  156    HG   SER  68           HG       SER  68  35.296  -4.888   3.228
  157    H    LYS  69           H        LYS  69  32.116  -0.693   1.161
  158    HA   LYS  69           HA       LYS  69  29.693  -0.707   2.562
  159   1HB   LYS  69          1HB       LYS  69  28.655  -0.049   0.316
  160   2HB   LYS  69          2HB       LYS  69  30.000   0.952   0.865
  161   1HG   LYS  69          1HG       LYS  69  31.350  -0.966  -0.514
  162   2HG   LYS  69          2HG       LYS  69  29.846  -0.910  -1.435
  163   1HD   LYS  69          1HD       LYS  69  30.233   1.718  -1.210
  164   2HD   LYS  69          2HD       LYS  69  31.916   1.210  -1.054
  165   1HE   LYS  69          1HE       LYS  69  31.879   1.250  -3.334
  166   2HE   LYS  69          2HE       LYS  69  31.120  -0.332  -3.153
  167   1HZ   LYS  69          1HZ       LYS  69  29.522   2.153  -3.145
  168   2HZ   LYS  69          2HZ       LYS  69  29.946   1.382  -4.600
  169   3HZ   LYS  69          3HZ       LYS  69  29.008   0.562  -3.448
  170    H    THR  70           H        THR  70  29.160  -2.832   3.191
  171    HA   THR  70           HA       THR  70  28.258  -4.613   0.967
  172    HB   THR  70           HB       THR  70  29.926  -5.092   3.347
  173    HG1  THR  70           HG1      THR  70  29.356  -6.636   1.043
  174   1HG2  THR  70          1HG2      THR  70  27.823  -6.127   4.163
  175   2HG2  THR  70          2HG2      THR  70  27.739  -7.089   2.687
  176   3HG2  THR  70          3HG2      THR  70  29.062  -7.332   3.823
  177    H    ASP  71           H        ASP  71  27.601  -3.462   4.268
  178    HA   ASP  71           HA       ASP  71  24.736  -3.569   3.737
  179   1HB   ASP  71          1HB       ASP  71  25.863  -5.934   4.650
  180   2HB   ASP  71          2HB       ASP  71  25.229  -5.186   6.116
  181    H    ASN  72           H        ASN  72  26.765  -3.812   6.691
  182    HA   ASN  72           HA       ASN  72  25.202  -1.606   7.856
  183   1HB   ASN  72          1HB       ASN  72  26.084  -3.806   9.026
  184   2HB   ASN  72          2HB       ASN  72  27.547  -2.843   9.250
  185   1HD2  ASN  72          1HD2      ASN  72  27.545  -1.637  11.146
  186   2HD2  ASN  72          2HD2      ASN  72  26.158  -1.080  11.950
  187    H    GLN  73           H        GLN  73  28.745  -2.141   8.049
  188    HA   GLN  73           HA       GLN  73  29.051   0.706   7.199
  189   1HB   GLN  73          1HB       GLN  73  29.971  -0.690   9.635
  190   2HB   GLN  73          2HB       GLN  73  31.187   0.316   8.843
  191   1HG   GLN  73          1HG       GLN  73  29.544   2.204   8.823
  192   2HG   GLN  73          2HG       GLN  73  28.427   1.193   9.738
  193   1HE2  GLN  73          1HE2      GLN  73  29.023   0.628  11.971
  194   2HE2  GLN  73          2HE2      GLN  73  30.214   1.521  12.805
  195    H    GLY  74           H        GLY  74  31.743  -1.330   8.140
  196   1HA   GLY  74          1HA       GLY  74  32.464  -1.581   5.247
  197   2HA   GLY  74          2HA       GLY  74  33.650  -1.088   6.458
  198    H    ASN  75           H        ASN  75  31.826  -3.270   8.081
  199    HA   ASN  75           HA       ASN  75  33.486  -5.547   7.081
  200   1HB   ASN  75          1HB       ASN  75  32.736  -4.891   9.914
  201   2HB   ASN  75          2HB       ASN  75  33.755  -6.245   9.408
  202   1HD2  ASN  75          1HD2      ASN  75  33.997  -3.203  10.703
  203   2HD2  ASN  75          2HD2      ASN  75  35.518  -2.744  10.084
  204    HA   PRO  76           HA       PRO  76  29.056  -7.020   8.075
  205   1HB   PRO  76          1HB       PRO  76  27.494  -6.165   6.005
  206   2HB   PRO  76          2HB       PRO  76  27.687  -5.217   7.494
  207   1HG   PRO  76          1HG       PRO  76  28.829  -4.708   4.796
  208   2HG   PRO  76          2HG       PRO  76  28.518  -3.566   6.111
  209   1HD   PRO  76          1HD       PRO  76  31.041  -4.729   5.394
  210   2HD   PRO  76          2HD       PRO  76  30.675  -3.711   6.795
  211    H    ILE  77           H        ILE  77  31.424  -7.271   6.008
  212    HA   ILE  77           HA       ILE  77  30.694  -8.359   3.634
  213    HB   ILE  77           HB       ILE  77  32.813  -9.801   5.202
  214   1HG1  ILE  77          1HG1      ILE  77  33.232  -7.559   5.924
  215   2HG1  ILE  77          2HG1      ILE  77  34.330  -7.826   4.567
  216   1HG2  ILE  77          1HG2      ILE  77  32.120  -9.257   2.411
  217   2HG2  ILE  77          2HG2      ILE  77  33.808  -8.894   2.774
  218   3HG2  ILE  77          3HG2      ILE  77  33.166 -10.507   3.083
  219   1HD1  ILE  77          1HD1      ILE  77  31.759  -6.827   3.636
  220   2HD1  ILE  77          2HD1      ILE  77  32.459  -5.747   4.839
  221   3HD1  ILE  77          3HD1      ILE  77  33.368  -6.158   3.389
  222    HA   PRO  78           HA       PRO  78  28.158 -11.759   4.953
  223   1HB   PRO  78          1HB       PRO  78  27.514 -12.636   2.418
  224   2HB   PRO  78          2HB       PRO  78  26.720 -11.293   3.263
  225   1HG   PRO  78          1HG       PRO  78  28.687 -11.199   1.027
  226   2HG   PRO  78          2HG       PRO  78  27.447 -10.023   1.482
  227   1HD   PRO  78          1HD       PRO  78  30.208  -9.789   2.037
  228   2HD   PRO  78          2HD       PRO  78  28.911  -8.828   2.774
  229    HA   PRO  79           HA       PRO  79  30.826 -15.167   2.870
  230   1HB   PRO  79          1HB       PRO  79  33.292 -14.390   1.934
  231   2HB   PRO  79          2HB       PRO  79  31.842 -14.483   0.915
  232   1HG   PRO  79          1HG       PRO  79  33.207 -12.073   2.030
  233   2HG   PRO  79          2HG       PRO  79  32.242 -12.235   0.552
  234   1HD   PRO  79          1HD       PRO  79  31.340 -11.115   2.971
  235   2HD   PRO  79          2HD       PRO  79  30.315 -11.652   1.631
  236    H    HIS  80           H        HIS  80  33.364 -15.917   3.431
  237    HA   HIS  80           HA       HIS  80  33.999 -14.746   6.104
  238   1HB   HIS  80          1HB       HIS  80  33.643 -17.650   5.354
  239   2HB   HIS  80          2HB       HIS  80  34.570 -17.164   6.772
  240    HD1  HIS  80           HD1      HIS  80  32.627 -14.655   7.375
  241    HD2  HIS  80           HD2      HIS  80  31.474 -18.636   6.926
  242    HE1  HIS  80           HE1      HIS  80  30.412 -14.900   8.578
  Start of MODEL    6
    1    H    VAL  49           H        VAL  49  53.378  -3.475   6.359
    2    HA   VAL  49           HA       VAL  49  52.694  -3.867   3.479
    3    HB   VAL  49           HB       VAL  49  54.384  -5.695   5.201
    4   1HG1  VAL  49          1HG1      VAL  49  53.248  -5.793   2.462
    5   2HG1  VAL  49          2HG1      VAL  49  54.935  -6.290   2.615
    6   3HG1  VAL  49          3HG1      VAL  49  53.684  -7.112   3.547
    7   1HG2  VAL  49          1HG2      VAL  49  55.363  -3.396   4.626
    8   2HG2  VAL  49          2HG2      VAL  49  56.297  -4.791   4.088
    9   3HG2  VAL  49          3HG2      VAL  49  55.298  -3.903   2.938
   10    HA   PRO  50           HA       PRO  50  49.816  -6.382   6.329
   11   1HB   PRO  50          1HB       PRO  50  47.711  -4.604   6.611
   12   2HB   PRO  50          2HB       PRO  50  48.986  -4.852   7.811
   13   1HG   PRO  50          1HG       PRO  50  48.607  -2.544   5.978
   14   2HG   PRO  50          2HG       PRO  50  49.480  -2.634   7.504
   15   1HD   PRO  50          1HD       PRO  50  50.630  -2.636   4.917
   16   2HD   PRO  50          2HD       PRO  50  51.442  -2.990   6.458
   17    H    GLY  51           H        GLY  51  47.444  -7.028   5.561
   18   1HA   GLY  51          1HA       GLY  51  47.116  -6.311   2.680
   19   2HA   GLY  51          2HA       GLY  51  47.277  -8.006   3.120
   20    H    LEU  52           H        LEU  52  45.336  -8.768   2.555
   21    HA   LEU  52           HA       LEU  52  42.937  -8.414   2.105
   22   1HB   LEU  52          1HB       LEU  52  43.407 -10.528   3.205
   23   2HB   LEU  52          2HB       LEU  52  43.369  -9.732   4.786
   24    HG   LEU  52           HG       LEU  52  41.022  -9.370   2.972
   25   1HD1  LEU  52          1HD1      LEU  52  41.702 -11.878   3.108
   26   2HD1  LEU  52          2HD1      LEU  52  41.181 -11.770   4.789
   27   3HD1  LEU  52          3HD1      LEU  52  40.035 -11.448   3.488
   28   1HD2  LEU  52          1HD2      LEU  52  41.719  -9.093   5.794
   29   2HD2  LEU  52          2HD2      LEU  52  40.493  -8.254   4.848
   30   3HD2  LEU  52          3HD2      LEU  52  40.154  -9.845   5.524
   31    H    CYS  53           H        CYS  53  43.315  -7.973   5.508
   32    HA   CYS  53           HA       CYS  53  42.802  -5.548   6.305
   33   1HB   CYS  53          1HB       CYS  53  41.153  -5.161   4.557
   34   2HB   CYS  53          2HB       CYS  53  40.143  -6.466   5.180
   35    HA   PRO  54           HA       PRO  54  41.995  -8.181   9.805
   36   1HB   PRO  54          1HB       PRO  54  42.586  -6.274  11.694
   37   2HB   PRO  54          2HB       PRO  54  43.812  -7.207  10.820
   38   1HG   PRO  54          1HG       PRO  54  43.004  -4.360  10.450
   39   2HG   PRO  54          2HG       PRO  54  44.557  -5.143  10.101
   40   1HD   PRO  54          1HD       PRO  54  42.574  -4.474   8.196
   41   2HD   PRO  54          2HD       PRO  54  43.964  -5.546   7.924
   42    H    ARG  55           H        ARG  55  40.012  -5.944   8.559
   43    HA   ARG  55           HA       ARG  55  38.173  -5.971  10.917
   44   1HB   ARG  55          1HB       ARG  55  39.140  -3.708   9.815
   45   2HB   ARG  55          2HB       ARG  55  37.765  -3.972   8.741
   46   1HG   ARG  55          1HG       ARG  55  36.619  -2.860  10.375
   47   2HG   ARG  55          2HG       ARG  55  36.591  -4.448  11.142
   48   1HD   ARG  55          1HD       ARG  55  38.216  -3.888  12.684
   49   2HD   ARG  55          2HD       ARG  55  38.987  -2.726  11.605
   50    HE   ARG  55           HE       ARG  55  36.661  -2.190  13.349
   51   1HH1  ARG  55          1HH1      ARG  55  36.310  -0.969  10.593
   52   2HH1  ARG  55          2HH1      ARG  55  37.009   0.599  10.820
   53   1HH2  ARG  55          1HH2      ARG  55  38.634  -0.262  13.764
   54   2HH2  ARG  55          2HH2      ARG  55  38.327   1.000  12.618
   55    H    CYS  56           H        CYS  56  38.096  -5.663   7.336
   56    HA   CYS  56           HA       CYS  56  35.619  -7.300   7.359
   57   1HB   CYS  56          1HB       CYS  56  35.145  -6.427   5.162
   58   2HB   CYS  56          2HB       CYS  56  35.697  -5.054   6.120
   59    H    LYS  57           H        LYS  57  36.316  -7.964   4.471
   60    HA   LYS  57           HA       LYS  57  38.656  -9.573   4.545
   61   1HB   LYS  57          1HB       LYS  57  36.051 -10.765   5.247
   62   2HB   LYS  57          2HB       LYS  57  36.941 -11.632   3.992
   63   1HG   LYS  57          1HG       LYS  57  38.948 -11.178   5.751
   64   2HG   LYS  57          2HG       LYS  57  37.587 -11.283   6.867
   65   1HD   LYS  57          1HD       LYS  57  36.946 -13.418   5.528
   66   2HD   LYS  57          2HD       LYS  57  38.609 -13.363   4.942
   67   1HE   LYS  57          1HE       LYS  57  38.951 -14.629   6.835
   68   2HE   LYS  57          2HE       LYS  57  39.105 -13.025   7.553
   69   1HZ   LYS  57          1HZ       LYS  57  36.642 -13.150   7.957
   70   2HZ   LYS  57          2HZ       LYS  57  36.733 -14.798   7.555
   71   3HZ   LYS  57          3HZ       LYS  57  37.593 -14.204   8.890
   72    H    ARG  58           H        ARG  58  37.104  -7.551   2.912
   73    HA   ARG  58           HA       ARG  58  37.070  -9.128   0.372
   74   1HB   ARG  58          1HB       ARG  58  34.883  -7.967   1.462
   75   2HB   ARG  58          2HB       ARG  58  35.514  -6.605   0.527
   76   1HG   ARG  58          1HG       ARG  58  35.693  -8.981  -1.074
   77   2HG   ARG  58          2HG       ARG  58  34.052  -8.853  -0.435
   78   1HD   ARG  58          1HD       ARG  58  33.851  -6.578  -1.291
   79   2HD   ARG  58          2HD       ARG  58  35.530  -6.604  -1.834
   80    HE   ARG  58           HE       ARG  58  33.291  -7.726  -3.264
   81   1HH1  ARG  58          1HH1      ARG  58  36.668  -7.891  -2.619
   82   2HH1  ARG  58          2HH1      ARG  58  37.010  -8.940  -3.954
   83   1HH2  ARG  58          1HH2      ARG  58  33.696  -9.225  -4.929
   84   2HH2  ARG  58          2HH2      ARG  58  35.330  -9.694  -5.260
   85    H    GLY  59           H        GLY  59  39.235  -7.441   1.764
   86   1HA   GLY  59          1HA       GLY  59  39.900  -5.937  -0.700
   87   2HA   GLY  59          2HA       GLY  59  39.725  -4.970   0.765
   88    H    LYS  60           H        LYS  60  41.827  -4.388   1.004
   89    HA   LYS  60           HA       LYS  60  43.655  -6.323   2.187
   90   1HB   LYS  60          1HB       LYS  60  43.847  -5.712  -0.631
   91   2HB   LYS  60          2HB       LYS  60  45.242  -5.038   0.214
   92   1HG   LYS  60          1HG       LYS  60  45.961  -7.129   0.974
   93   2HG   LYS  60          2HG       LYS  60  44.355  -7.844   0.820
   94   1HD   LYS  60          1HD       LYS  60  45.940  -6.900  -1.577
   95   2HD   LYS  60          2HD       LYS  60  46.063  -8.546  -0.949
   96   1HE   LYS  60          1HE       LYS  60  43.529  -8.682  -1.141
   97   2HE   LYS  60          2HE       LYS  60  43.598  -7.168  -2.043
   98   1HZ   LYS  60          1HZ       LYS  60  45.123  -9.608  -2.773
   99   2HZ   LYS  60          2HZ       LYS  60  43.626  -9.188  -3.453
  100   3HZ   LYS  60          3HZ       LYS  60  44.975  -8.181  -3.684
  101    H    HIS  61           H        HIS  61  43.133  -4.705   3.883
  102    HA   HIS  61           HA       HIS  61  45.063  -2.506   3.844
  103   1HB   HIS  61          1HB       HIS  61  43.164  -0.823   4.213
  104   2HB   HIS  61          2HB       HIS  61  43.506  -1.321   2.546
  105    HD1  HIS  61           HD1      HIS  61  41.563  -2.350   1.272
  106    HD2  HIS  61           HD2      HIS  61  40.961  -2.471   5.398
  107    HE1  HIS  61           HE1      HIS  61  39.254  -3.357   1.636
  108    H    TRP  62           H        TRP  62  44.198  -0.843   5.677
  109    HA   TRP  62           HA       TRP  62  43.916  -2.582   8.058
  110   1HB   TRP  62          1HB       TRP  62  44.768   0.141   8.600
  111   2HB   TRP  62          2HB       TRP  62  45.600  -1.379   8.892
  112    HD1  TRP  62           HD1      TRP  62  46.360   1.614   7.257
  113    HE1  TRP  62           HE1      TRP  62  47.861   1.323   5.180
  114    HE3  TRP  62           HE3      TRP  62  45.778  -3.381   6.461
  115    HZ2  TRP  62           HZ2      TRP  62  48.678  -0.775   3.388
  116    HZ3  TRP  62           HZ3      TRP  62  46.856  -4.481   4.548
  117    HH2  TRP  62           HH2      TRP  62  48.333  -3.207   3.024
  118    H    ALA  63           H        ALA  63  42.790  -1.606   9.947
  119    HA   ALA  63           HA       ALA  63  40.112  -1.035   9.489
  120   1HB   ALA  63          1HB       ALA  63  41.937  -0.863  11.752
  121   2HB   ALA  63          2HB       ALA  63  40.673   0.365  11.834
  122   3HB   ALA  63          3HB       ALA  63  40.240  -1.341  11.717
  123    H    ASN  64           H        ASN  64  42.145   1.566  10.842
  124    HA   ASN  64           HA       ASN  64  40.636   3.763  10.330
  125   1HB   ASN  64          1HB       ASN  64  43.567   3.292  10.221
  126   2HB   ASN  64          2HB       ASN  64  42.993   4.801   9.502
  127   1HD2  ASN  64          1HD2      ASN  64  42.784   2.875  12.531
  128   2HD2  ASN  64          2HD2      ASN  64  42.535   4.213  13.545
  129    H    GLU  65           H        GLU  65  42.692   2.224   7.854
  130    HA   GLU  65           HA       GLU  65  41.176   3.766   5.791
  131   1HB   GLU  65          1HB       GLU  65  43.841   3.732   6.059
  132   2HB   GLU  65          2HB       GLU  65  43.663   2.253   5.108
  133   1HG   GLU  65          1HG       GLU  65  42.230   4.753   4.251
  134   2HG   GLU  65          2HG       GLU  65  43.941   4.555   3.872
  135    H    CYS  66           H        CYS  66  39.582   1.864   6.539
  136    HA   CYS  66           HA       CYS  66  40.130  -0.438   4.724
  137   1HB   CYS  66          1HB       CYS  66  40.094  -1.529   6.760
  138   2HB   CYS  66          2HB       CYS  66  39.041  -0.331   7.499
  139    H    LYS  67           H        LYS  67  38.325  -1.341   3.640
  140    HA   LYS  67           HA       LYS  67  35.765   0.106   3.690
  141   1HB   LYS  67          1HB       LYS  67  36.948  -0.264   0.971
  142   2HB   LYS  67          2HB       LYS  67  35.830   0.973   1.545
  143   1HG   LYS  67          1HG       LYS  67  37.741   1.942   2.892
  144   2HG   LYS  67          2HG       LYS  67  38.812   0.821   2.049
  145   1HD   LYS  67          1HD       LYS  67  37.927   1.773  -0.128
  146   2HD   LYS  67          2HD       LYS  67  37.131   3.024   0.829
  147   1HE   LYS  67          1HE       LYS  67  39.202   3.994   0.210
  148   2HE   LYS  67          2HE       LYS  67  39.452   3.449   1.869
  149   1HZ   LYS  67          1HZ       LYS  67  40.122   1.765  -0.471
  150   2HZ   LYS  67          2HZ       LYS  67  41.234   2.848   0.212
  151   3HZ   LYS  67          3HZ       LYS  67  40.619   1.567   1.142
  152    H    SER  68           H        SER  68  34.162  -1.075   2.348
  153    HA   SER  68           HA       SER  68  34.887  -3.790   1.538
  154   1HB   SER  68          1HB       SER  68  34.085  -3.176   4.212
  155   2HB   SER  68          2HB       SER  68  32.824  -4.166   3.468
  156    HG   SER  68           HG       SER  68  35.478  -4.890   3.012
  157    H    LYS  69           H        LYS  69  32.482  -1.250   1.937
  158    HA   LYS  69           HA       LYS  69  30.376  -0.961   0.922
  159   1HB   LYS  69          1HB       LYS  69  32.408  -1.229  -0.975
  160   2HB   LYS  69          2HB       LYS  69  31.124  -2.283  -1.566
  161   1HG   LYS  69          1HG       LYS  69  30.721   0.601  -0.725
  162   2HG   LYS  69          2HG       LYS  69  30.899   0.061  -2.395
  163   1HD   LYS  69          1HD       LYS  69  28.921  -1.567  -1.095
  164   2HD   LYS  69          2HD       LYS  69  28.521   0.133  -0.845
  165   1HE   LYS  69          1HE       LYS  69  27.612  -0.943  -2.987
  166   2HE   LYS  69          2HE       LYS  69  28.487   0.575  -3.185
  167   1HZ   LYS  69          1HZ       LYS  69  30.132  -1.802  -3.256
  168   2HZ   LYS  69          2HZ       LYS  69  29.029  -1.672  -4.538
  169   3HZ   LYS  69          3HZ       LYS  69  30.156  -0.431  -4.259
  170    H    THR  70           H        THR  70  29.679  -2.821   2.450
  171    HA   THR  70           HA       THR  70  28.557  -4.988   0.738
  172    HB   THR  70           HB       THR  70  30.061  -5.207   3.332
  173    HG1  THR  70           HG1      THR  70  29.918  -6.998   1.163
  174   1HG2  THR  70          1HG2      THR  70  27.615  -6.693   2.578
  175   2HG2  THR  70          2HG2      THR  70  28.977  -7.689   3.092
  176   3HG2  THR  70          3HG2      THR  70  28.340  -6.444   4.162
  177    H    ASP  71           H        ASP  71  28.262  -3.032   3.690
  178    HA   ASP  71           HA       ASP  71  25.335  -3.096   3.349
  179   1HB   ASP  71          1HB       ASP  71  26.247  -5.039   4.917
  180   2HB   ASP  71          2HB       ASP  71  26.278  -3.738   6.109
  181    H    ASN  72           H        ASN  72  25.176  -2.148   6.272
  182    HA   ASN  72           HA       ASN  72  25.855   0.662   5.634
  183   1HB   ASN  72          1HB       ASN  72  24.239   1.295   7.201
  184   2HB   ASN  72          2HB       ASN  72  23.569  -0.210   6.568
  185   1HD2  ASN  72          1HD2      ASN  72  24.310  -2.255   7.909
  186   2HD2  ASN  72          2HD2      ASN  72  24.359  -2.062   9.594
  187    H    GLN  73           H        GLN  73  27.649  -1.694   6.803
  188    HA   GLN  73           HA       GLN  73  28.834   0.004   8.968
  189   1HB   GLN  73          1HB       GLN  73  27.903  -2.581   9.248
  190   2HB   GLN  73          2HB       GLN  73  29.622  -2.832   8.935
  191   1HG   GLN  73          1HG       GLN  73  29.663  -2.536  11.234
  192   2HG   GLN  73          2HG       GLN  73  29.890  -0.870  10.698
  193   1HE2  GLN  73          1HE2      GLN  73  28.865  -0.191  12.788
  194   2HE2  GLN  73          2HE2      GLN  73  27.166  -0.243  12.941
  195    H    GLY  74           H        GLY  74  31.190  -1.798   9.016
  196   1HA   GLY  74          1HA       GLY  74  32.417  -0.951   6.422
  197   2HA   GLY  74          2HA       GLY  74  33.292  -0.899   7.957
  198    H    ASN  75           H        ASN  75  31.502  -3.581   8.302
  199    HA   ASN  75           HA       ASN  75  33.193  -5.367   6.651
  200   1HB   ASN  75          1HB       ASN  75  33.014  -6.198   9.422
  201   2HB   ASN  75          2HB       ASN  75  34.402  -6.257   8.342
  202   1HD2  ASN  75          1HD2      ASN  75  32.559  -4.102  10.512
  203   2HD2  ASN  75          2HD2      ASN  75  33.826  -2.982  10.752
  204    HA   PRO  76           HA       PRO  76  28.982  -7.118   7.786
  205   1HB   PRO  76          1HB       PRO  76  27.462  -6.156   5.727
  206   2HB   PRO  76          2HB       PRO  76  27.663  -5.263   7.246
  207   1HG   PRO  76          1HG       PRO  76  28.812  -4.659   4.577
  208   2HG   PRO  76          2HG       PRO  76  28.584  -3.586   5.966
  209   1HD   PRO  76          1HD       PRO  76  31.037  -4.909   5.148
  210   2HD   PRO  76          2HD       PRO  76  30.781  -3.850   6.543
  211    H    ILE  77           H        ILE  77  31.398  -7.501   5.902
  212    HA   ILE  77           HA       ILE  77  30.715  -8.489   3.431
  213    HB   ILE  77           HB       ILE  77  32.774 -10.002   4.998
  214   1HG1  ILE  77          1HG1      ILE  77  33.184  -7.764   5.810
  215   2HG1  ILE  77          2HG1      ILE  77  34.353  -8.060   4.521
  216   1HG2  ILE  77          1HG2      ILE  77  32.243  -9.142   2.202
  217   2HG2  ILE  77          2HG2      ILE  77  33.934  -9.198   2.703
  218   3HG2  ILE  77          3HG2      ILE  77  32.934 -10.648   2.805
  219   1HD1  ILE  77          1HD1      ILE  77  31.703  -6.767   3.900
  220   2HD1  ILE  77          2HD1      ILE  77  33.040  -5.808   4.527
  221   3HD1  ILE  77          3HD1      ILE  77  33.219  -6.675   3.003
  222    HA   PRO  78           HA       PRO  78  29.830 -12.776   5.353
  223   1HB   PRO  78          1HB       PRO  78  29.564 -12.903   8.085
  224   2HB   PRO  78          2HB       PRO  78  31.099 -13.156   7.232
  225   1HG   PRO  78          1HG       PRO  78  30.206 -10.806   8.828
  226   2HG   PRO  78          2HG       PRO  78  31.848 -11.365   8.476
  227   1HD   PRO  78          1HD       PRO  78  30.500  -9.215   7.210
  228   2HD   PRO  78          2HD       PRO  78  32.027  -9.951   6.683
  229    HA   PRO  79           HA       PRO  79  25.569 -11.336   5.647
  230   1HB   PRO  79          1HB       PRO  79  24.517 -13.488   4.296
  231   2HB   PRO  79          2HB       PRO  79  25.250 -12.087   3.491
  232   1HG   PRO  79          1HG       PRO  79  26.358 -14.832   3.861
  233   2HG   PRO  79          2HG       PRO  79  26.706 -13.643   2.594
  234   1HD   PRO  79          1HD       PRO  79  28.348 -14.212   4.826
  235   2HD   PRO  79          2HD       PRO  79  28.503 -12.808   3.747
  236    H    HIS  80           H        HIS  80  26.798 -14.534   6.493
  237    HA   HIS  80           HA       HIS  80  24.470 -14.954   8.304
  238   1HB   HIS  80          1HB       HIS  80  25.132 -17.269   8.394
  239   2HB   HIS  80          2HB       HIS  80  25.192 -16.780   6.701
  240    HD1  HIS  80           HD1      HIS  80  27.417 -16.962   5.524
  241    HD2  HIS  80           HD2      HIS  80  27.791 -17.337   9.660
  242    HE1  HIS  80           HE1      HIS  80  29.820 -17.625   5.969
  Start of MODEL    7
    1    H    VAL  49           H        VAL  49  53.479  -3.999   6.430
    2    HA   VAL  49           HA       VAL  49  52.745  -3.675   3.595
    3    HB   VAL  49           HB       VAL  49  54.069  -6.267   4.013
    4   1HG1  VAL  49          1HG1      VAL  49  53.193  -5.292   1.854
    5   2HG1  VAL  49          2HG1      VAL  49  54.498  -4.108   1.932
    6   3HG1  VAL  49          3HG1      VAL  49  54.874  -5.825   1.784
    7   1HG2  VAL  49          1HG2      VAL  49  55.591  -4.823   5.342
    8   2HG2  VAL  49          2HG2      VAL  49  56.360  -5.373   3.853
    9   3HG2  VAL  49          3HG2      VAL  49  55.735  -3.727   3.966
   10    HA   PRO  50           HA       PRO  50  49.909  -6.365   6.109
   11   1HB   PRO  50          1HB       PRO  50  47.885  -4.511   6.414
   12   2HB   PRO  50          2HB       PRO  50  49.171  -4.783   7.593
   13   1HG   PRO  50          1HG       PRO  50  48.800  -2.463   5.803
   14   2HG   PRO  50          2HG       PRO  50  49.792  -2.609   7.252
   15   1HD   PRO  50          1HD       PRO  50  50.676  -2.721   4.517
   16   2HD   PRO  50          2HD       PRO  50  51.648  -2.909   5.988
   17    H    GLY  51           H        GLY  51  47.550  -6.945   5.322
   18   1HA   GLY  51          1HA       GLY  51  47.195  -6.110   2.481
   19   2HA   GLY  51          2HA       GLY  51  47.339  -7.825   2.844
   20    H    LEU  52           H        LEU  52  45.360  -8.419   2.167
   21    HA   LEU  52           HA       LEU  52  42.961  -7.967   1.841
   22   1HB   LEU  52          1HB       LEU  52  43.484 -10.207   2.659
   23   2HB   LEU  52          2HB       LEU  52  43.454  -9.613   4.327
   24    HG   LEU  52           HG       LEU  52  41.083  -9.043   2.611
   25   1HD1  LEU  52          1HD1      LEU  52  42.046 -11.734   3.251
   26   2HD1  LEU  52          2HD1      LEU  52  40.420 -11.425   3.857
   27   3HD1  LEU  52          3HD1      LEU  52  40.771 -11.236   2.139
   28   1HD2  LEU  52          1HD2      LEU  52  41.813  -9.088   5.418
   29   2HD2  LEU  52          2HD2      LEU  52  40.466  -8.283   4.613
   30   3HD2  LEU  52          3HD2      LEU  52  40.320  -9.967   5.108
   31    H    CYS  53           H        CYS  53  43.437  -7.989   5.257
   32    HA   CYS  53           HA       CYS  53  42.925  -5.568   6.249
   33   1HB   CYS  53          1HB       CYS  53  41.024  -5.268   4.754
   34   2HB   CYS  53          2HB       CYS  53  40.233  -6.687   5.420
   35    HA   PRO  54           HA       PRO  54  42.772  -8.260   9.756
   36   1HB   PRO  54          1HB       PRO  54  43.044  -6.284  11.644
   37   2HB   PRO  54          2HB       PRO  54  44.394  -6.903  10.677
   38   1HG   PRO  54          1HG       PRO  54  42.953  -4.307  10.438
   39   2HG   PRO  54          2HG       PRO  54  44.606  -4.723   9.951
   40   1HD   PRO  54          1HD       PRO  54  42.356  -4.503   8.232
   41   2HD   PRO  54          2HD       PRO  54  43.943  -5.182   7.809
   42    H    ARG  55           H        ARG  55  40.276  -6.578   8.629
   43    HA   ARG  55           HA       ARG  55  38.609  -7.130  11.031
   44   1HB   ARG  55          1HB       ARG  55  39.020  -4.691  10.913
   45   2HB   ARG  55          2HB       ARG  55  38.381  -4.671   9.269
   46   1HG   ARG  55          1HG       ARG  55  36.235  -4.759   9.981
   47   2HG   ARG  55          2HG       ARG  55  36.597  -5.989  11.192
   48   1HD   ARG  55          1HD       ARG  55  37.742  -4.074  12.507
   49   2HD   ARG  55          2HD       ARG  55  36.858  -2.992  11.430
   50    HE   ARG  55           HE       ARG  55  35.106  -4.973  12.618
   51   1HH1  ARG  55          1HH1      ARG  55  34.674  -1.955  12.131
   52   2HH1  ARG  55          2HH1      ARG  55  34.501  -1.396  13.762
   53   1HH2  ARG  55          1HH2      ARG  55  35.803  -4.284  15.169
   54   2HH2  ARG  55          2HH2      ARG  55  35.141  -2.715  15.482
   55    H    CYS  56           H        CYS  56  38.176  -6.018   7.630
   56    HA   CYS  56           HA       CYS  56  35.897  -7.872   7.415
   57   1HB   CYS  56          1HB       CYS  56  35.314  -6.711   5.400
   58   2HB   CYS  56          2HB       CYS  56  35.861  -5.459   6.510
   59    H    LYS  57           H        LYS  57  36.401  -8.149   4.532
   60    HA   LYS  57           HA       LYS  57  38.826  -9.545   4.126
   61   1HB   LYS  57          1HB       LYS  57  37.766 -11.782   3.689
   62   2HB   LYS  57          2HB       LYS  57  37.763 -11.316   5.393
   63   1HG   LYS  57          1HG       LYS  57  35.517 -11.460   5.432
   64   2HG   LYS  57          2HG       LYS  57  35.413 -10.235   4.167
   65   1HD   LYS  57          1HD       LYS  57  34.802 -11.792   2.662
   66   2HD   LYS  57          2HD       LYS  57  36.255 -12.732   3.005
   67   1HE   LYS  57          1HE       LYS  57  35.127 -13.755   4.953
   68   2HE   LYS  57          2HE       LYS  57  33.670 -12.832   4.588
   69   1HZ   LYS  57          1HZ       LYS  57  33.715 -13.904   2.351
   70   2HZ   LYS  57          2HZ       LYS  57  34.947 -14.925   2.923
   71   3HZ   LYS  57          3HZ       LYS  57  33.406 -14.965   3.638
   72    H    ARG  58           H        ARG  58  37.017  -7.478   2.997
   73    HA   ARG  58           HA       ARG  58  36.651  -8.679   0.287
   74   1HB   ARG  58          1HB       ARG  58  34.610  -7.785   1.717
   75   2HB   ARG  58          2HB       ARG  58  35.194  -6.209   1.182
   76   1HG   ARG  58          1HG       ARG  58  35.114  -7.037  -1.181
   77   2HG   ARG  58          2HG       ARG  58  34.390  -8.534  -0.592
   78   1HD   ARG  58          1HD       ARG  58  32.760  -6.743   0.612
   79   2HD   ARG  58          2HD       ARG  58  33.201  -5.821  -0.824
   80    HE   ARG  58           HE       ARG  58  31.454  -8.125  -0.771
   81   1HH1  ARG  58          1HH1      ARG  58  33.062  -5.832  -2.669
   82   2HH1  ARG  58          2HH1      ARG  58  32.880  -6.696  -4.157
   83   1HH2  ARG  58          1HH2      ARG  58  31.575  -9.538  -2.666
   84   2HH2  ARG  58          2HH2      ARG  58  32.038  -8.789  -4.157
   85    H    GLY  59           H        GLY  59  38.946  -7.185   1.749
   86   1HA   GLY  59          1HA       GLY  59  39.604  -5.504  -0.573
   87   2HA   GLY  59          2HA       GLY  59  39.371  -4.604   0.927
   88    H    LYS  60           H        LYS  60  41.691  -4.105   0.529
   89    HA   LYS  60           HA       LYS  60  43.436  -6.032   1.947
   90   1HB   LYS  60          1HB       LYS  60  45.014  -4.660   0.020
   91   2HB   LYS  60          2HB       LYS  60  44.678  -6.383   0.116
   92   1HG   LYS  60          1HG       LYS  60  43.946  -5.795  -2.044
   93   2HG   LYS  60          2HG       LYS  60  42.466  -5.847  -1.088
   94   1HD   LYS  60          1HD       LYS  60  42.889  -3.320  -0.677
   95   2HD   LYS  60          2HD       LYS  60  44.000  -3.431  -2.043
   96   1HE   LYS  60          1HE       LYS  60  42.033  -4.564  -3.292
   97   2HE   LYS  60          2HE       LYS  60  41.021  -3.908  -2.004
   98   1HZ   LYS  60          1HZ       LYS  60  42.629  -1.828  -2.765
   99   2HZ   LYS  60          2HZ       LYS  60  42.204  -2.576  -4.227
  100   3HZ   LYS  60          3HZ       LYS  60  40.991  -2.037  -3.167
  101    H    HIS  61           H        HIS  61  43.361  -4.677   3.804
  102    HA   HIS  61           HA       HIS  61  45.111  -2.376   3.773
  103   1HB   HIS  61          1HB       HIS  61  43.228  -0.761   4.365
  104   2HB   HIS  61          2HB       HIS  61  43.409  -1.169   2.646
  105    HD1  HIS  61           HD1      HIS  61  41.296  -2.010   1.541
  106    HD2  HIS  61           HD2      HIS  61  41.256  -2.682   5.658
  107    HE1  HIS  61           HE1      HIS  61  39.084  -3.147   2.066
  108    H    TRP  62           H        TRP  62  44.337  -0.874   5.768
  109    HA   TRP  62           HA       TRP  62  44.196  -2.777   8.033
  110   1HB   TRP  62          1HB       TRP  62  44.962  -0.058   8.716
  111   2HB   TRP  62          2HB       TRP  62  45.856  -1.558   8.900
  112    HD1  TRP  62           HD1      TRP  62  46.504   1.540   7.455
  113    HE1  TRP  62           HE1      TRP  62  47.960   1.425   5.326
  114    HE3  TRP  62           HE3      TRP  62  45.976  -3.382   6.320
  115    HZ2  TRP  62           HZ2      TRP  62  48.762  -0.527   3.368
  116    HZ3  TRP  62           HZ3      TRP  62  47.017  -4.331   4.311
  117    HH2  TRP  62           HH2      TRP  62  48.439  -2.934   2.847
  118    H    ALA  63           H        ALA  63  43.175  -1.807  10.060
  119    HA   ALA  63           HA       ALA  63  40.443  -1.328   9.704
  120   1HB   ALA  63          1HB       ALA  63  42.275  -0.511  11.973
  121   2HB   ALA  63          2HB       ALA  63  40.519  -0.373  12.049
  122   3HB   ALA  63          3HB       ALA  63  41.272  -1.957  11.875
  123    H    ASN  64           H        ASN  64  42.671   1.231  10.857
  124    HA   ASN  64           HA       ASN  64  41.069   3.444  10.516
  125   1HB   ASN  64          1HB       ASN  64  43.980   3.290   9.671
  126   2HB   ASN  64          2HB       ASN  64  43.097   4.761  10.094
  127   1HD2  ASN  64          1HD2      ASN  64  41.610   3.329  12.306
  128   2HD2  ASN  64          2HD2      ASN  64  42.740   3.158  13.561
  129    H    GLU  65           H        GLU  65  42.847   1.754   7.946
  130    HA   GLU  65           HA       GLU  65  41.363   3.419   5.956
  131   1HB   GLU  65          1HB       GLU  65  43.806   3.566   5.736
  132   2HB   GLU  65          2HB       GLU  65  43.914   1.805   5.642
  133   1HG   GLU  65          1HG       GLU  65  43.389   1.809   3.450
  134   2HG   GLU  65          2HG       GLU  65  41.995   2.856   3.723
  135    H    CYS  66           H        CYS  66  39.748   1.558   6.960
  136    HA   CYS  66           HA       CYS  66  39.846  -0.651   4.953
  137   1HB   CYS  66          1HB       CYS  66  40.195  -1.839   6.922
  138   2HB   CYS  66          2HB       CYS  66  39.254  -0.713   7.892
  139    H    LYS  67           H        LYS  67  38.114  -0.824   3.688
  140    HA   LYS  67           HA       LYS  67  35.482   0.129   4.603
  141   1HB   LYS  67          1HB       LYS  67  37.039   1.334   2.320
  142   2HB   LYS  67          2HB       LYS  67  35.282   1.235   2.211
  143   1HG   LYS  67          1HG       LYS  67  35.211   2.347   4.512
  144   2HG   LYS  67          2HG       LYS  67  36.930   2.678   4.298
  145   1HD   LYS  67          1HD       LYS  67  36.389   4.507   3.106
  146   2HD   LYS  67          2HD       LYS  67  35.661   3.459   1.890
  147   1HE   LYS  67          1HE       LYS  67  34.012   5.094   2.678
  148   2HE   LYS  67          2HE       LYS  67  33.538   3.470   3.177
  149   1HZ   LYS  67          1HZ       LYS  67  35.055   5.355   4.895
  150   2HZ   LYS  67          2HZ       LYS  67  33.368   5.166   4.954
  151   3HZ   LYS  67          3HZ       LYS  67  34.385   3.865   5.353
  152    H    SER  68           H        SER  68  33.883  -1.105   3.788
  153    HA   SER  68           HA       SER  68  34.547  -2.972   1.575
  154   1HB   SER  68          1HB       SER  68  34.527  -3.545   4.367
  155   2HB   SER  68          2HB       SER  68  33.173  -4.414   3.627
  156    HG   SER  68           HG       SER  68  35.102  -5.624   3.508
  157    H    LYS  69           H        LYS  69  32.962  -2.329   0.175
  158    HA   LYS  69           HA       LYS  69  30.328  -1.488   1.042
  159   1HB   LYS  69          1HB       LYS  69  31.153  -2.343  -1.743
  160   2HB   LYS  69          2HB       LYS  69  29.837  -1.252  -1.298
  161   1HG   LYS  69          1HG       LYS  69  31.288   0.490  -0.743
  162   2HG   LYS  69          2HG       LYS  69  32.646  -0.597  -0.459
  163   1HD   LYS  69          1HD       LYS  69  33.253   0.269  -2.519
  164   2HD   LYS  69          2HD       LYS  69  32.318  -1.132  -3.040
  165   1HE   LYS  69          1HE       LYS  69  30.411   0.180  -3.534
  166   2HE   LYS  69          2HE       LYS  69  31.013   1.554  -2.607
  167   1HZ   LYS  69          1HZ       LYS  69  32.973   1.188  -4.403
  168   2HZ   LYS  69          2HZ       LYS  69  31.613   0.750  -5.316
  169   3HZ   LYS  69          3HZ       LYS  69  31.690   2.286  -4.594
  170    H    THR  70           H        THR  70  29.670  -3.356   2.303
  171    HA   THR  70           HA       THR  70  28.853  -5.677   0.604
  172    HB   THR  70           HB       THR  70  30.198  -5.530   3.227
  173    HG1  THR  70           HG1      THR  70  30.365  -7.885   2.408
  174   1HG2  THR  70          1HG2      THR  70  27.899  -7.473   2.855
  175   2HG2  THR  70          2HG2      THR  70  29.083  -7.512   4.157
  176   3HG2  THR  70          3HG2      THR  70  27.956  -6.165   4.036
  177    H    ASP  71           H        ASP  71  27.975  -3.624   3.379
  178    HA   ASP  71           HA       ASP  71  25.132  -4.000   2.591
  179   1HB   ASP  71          1HB       ASP  71  26.256  -4.434   5.365
  180   2HB   ASP  71          2HB       ASP  71  24.543  -4.157   5.058
  181    H    ASN  72           H        ASN  72  25.700  -2.485   5.637
  182    HA   ASN  72           HA       ASN  72  25.903   0.196   4.380
  183   1HB   ASN  72          1HB       ASN  72  24.029   0.857   6.102
  184   2HB   ASN  72          2HB       ASN  72  23.579   0.137   4.558
  185   1HD2  ASN  72          1HD2      ASN  72  24.807  -1.310   7.611
  186   2HD2  ASN  72          2HD2      ASN  72  23.542  -2.431   7.765
  187    H    GLN  73           H        GLN  73  27.900  -1.164   5.815
  188    HA   GLN  73           HA       GLN  73  28.142   0.632   8.170
  189   1HB   GLN  73          1HB       GLN  73  27.293  -1.816   8.705
  190   2HB   GLN  73          2HB       GLN  73  28.990  -2.236   8.463
  191   1HG   GLN  73          1HG       GLN  73  29.542  -1.396  10.478
  192   2HG   GLN  73          2HG       GLN  73  28.772   0.145  10.094
  193   1HE2  GLN  73          1HE2      GLN  73  26.077  -0.716   9.778
  194   2HE2  GLN  73          2HE2      GLN  73  25.506  -1.284  11.282
  195    H    GLY  74           H        GLY  74  30.576  -1.292   8.751
  196   1HA   GLY  74          1HA       GLY  74  32.331  -0.118   6.630
  197   2HA   GLY  74          2HA       GLY  74  32.843  -0.299   8.314
  198    H    ASN  75           H        ASN  75  31.535  -2.887   8.633
  199    HA   ASN  75           HA       ASN  75  32.925  -4.641   6.709
  200   1HB   ASN  75          1HB       ASN  75  33.556  -5.938   8.897
  201   2HB   ASN  75          2HB       ASN  75  34.641  -4.723   8.236
  202   1HD2  ASN  75          1HD2      ASN  75  31.571  -4.160   9.979
  203   2HD2  ASN  75          2HD2      ASN  75  32.273  -3.309  11.281
  204    HA   PRO  76           HA       PRO  76  28.828  -6.213   8.192
  205   1HB   PRO  76          1HB       PRO  76  27.514  -5.805   5.825
  206   2HB   PRO  76          2HB       PRO  76  27.647  -4.546   7.069
  207   1HG   PRO  76          1HG       PRO  76  29.000  -4.703   4.438
  208   2HG   PRO  76          2HG       PRO  76  28.759  -3.296   5.485
  209   1HD   PRO  76          1HD       PRO  76  31.150  -4.928   5.206
  210   2HD   PRO  76          2HD       PRO  76  30.922  -3.499   6.236
  211    H    ILE  77           H        ILE  77  31.332  -7.187   6.617
  212    HA   ILE  77           HA       ILE  77  30.598  -8.823   4.506
  213    HB   ILE  77           HB       ILE  77  32.634  -9.892   6.418
  214   1HG1  ILE  77          1HG1      ILE  77  33.131  -7.560   6.628
  215   2HG1  ILE  77          2HG1      ILE  77  34.252  -8.189   5.421
  216   1HG2  ILE  77          1HG2      ILE  77  31.927 -10.163   3.662
  217   2HG2  ILE  77          2HG2      ILE  77  33.545  -9.468   3.745
  218   3HG2  ILE  77          3HG2      ILE  77  33.201 -11.000   4.549
  219   1HD1  ILE  77          1HD1      ILE  77  31.644  -7.112   4.434
  220   2HD1  ILE  77          2HD1      ILE  77  32.833  -5.950   5.013
  221   3HD1  ILE  77          3HD1      ILE  77  33.240  -7.044   3.692
  222    HA   PRO  78           HA       PRO  78  28.044 -11.706   6.820
  223   1HB   PRO  78          1HB       PRO  78  27.015 -12.946   4.593
  224   2HB   PRO  78          2HB       PRO  78  26.418 -11.394   5.212
  225   1HG   PRO  78          1HG       PRO  78  28.114 -11.933   2.820
  226   2HG   PRO  78          2HG       PRO  78  27.006 -10.587   3.129
  227   1HD   PRO  78          1HD       PRO  78  29.828 -10.501   3.351
  228   2HD   PRO  78          2HD       PRO  78  28.689  -9.281   3.957
  229    HA   PRO  79           HA       PRO  79  30.332 -15.482   6.624
  230   1HB   PRO  79          1HB       PRO  79  28.365 -17.339   7.102
  231   2HB   PRO  79          2HB       PRO  79  29.016 -16.263   8.355
  232   1HG   PRO  79          1HG       PRO  79  26.391 -16.131   6.943
  233   2HG   PRO  79          2HG       PRO  79  26.833 -15.532   8.551
  234   1HD   PRO  79          1HD       PRO  79  26.566 -13.960   6.212
  235   2HD   PRO  79          2HD       PRO  79  27.320 -13.445   7.737
  236    H    HIS  80           H        HIS  80  27.218 -16.521   5.263
  237    HA   HIS  80           HA       HIS  80  28.689 -17.486   2.847
  238   1HB   HIS  80          1HB       HIS  80  26.562 -18.965   2.633
  239   2HB   HIS  80          2HB       HIS  80  27.746 -19.390   3.870
  240    HD1  HIS  80           HD1      HIS  80  24.306 -17.970   3.423
  241    HD2  HIS  80           HD2      HIS  80  26.907 -18.874   6.552
  242    HE1  HIS  80           HE1      HIS  80  22.945 -17.815   5.554
  Start of MODEL    8
    1    H    VAL  49           H        VAL  49  53.681  -4.694   6.999
    2    HA   VAL  49           HA       VAL  49  52.983  -4.897   4.105
    3    HB   VAL  49           HB       VAL  49  54.173  -7.289   5.425
    4   1HG1  VAL  49          1HG1      VAL  49  53.735  -6.154   2.746
    5   2HG1  VAL  49          2HG1      VAL  49  55.324  -6.886   2.954
    6   3HG1  VAL  49          3HG1      VAL  49  53.870  -7.841   3.245
    7   1HG2  VAL  49          1HG2      VAL  49  55.644  -4.732   4.830
    8   2HG2  VAL  49          2HG2      VAL  49  55.860  -5.851   6.177
    9   3HG2  VAL  49          3HG2      VAL  49  56.452  -6.279   4.571
   10    HA   PRO  50           HA       PRO  50  49.791  -6.937   6.897
   11   1HB   PRO  50          1HB       PRO  50  47.898  -4.908   6.896
   12   2HB   PRO  50          2HB       PRO  50  49.087  -5.175   8.179
   13   1HG   PRO  50          1HG       PRO  50  49.028  -3.016   6.162
   14   2HG   PRO  50          2HG       PRO  50  49.898  -3.099   7.687
   15   1HD   PRO  50          1HD       PRO  50  50.984  -3.504   5.071
   16   2HD   PRO  50          2HD       PRO  50  51.792  -3.695   6.637
   17    H    GLY  51           H        GLY  51  47.472  -7.511   6.057
   18   1HA   GLY  51          1HA       GLY  51  47.329  -7.022   3.108
   19   2HA   GLY  51          2HA       GLY  51  47.207  -8.659   3.742
   20    H    LEU  52           H        LEU  52  45.180  -9.149   3.125
   21    HA   LEU  52           HA       LEU  52  42.890  -8.414   2.536
   22   1HB   LEU  52          1HB       LEU  52  42.998 -10.537   3.705
   23   2HB   LEU  52          2HB       LEU  52  43.109  -9.717   5.262
   24    HG   LEU  52           HG       LEU  52  40.777 -10.624   4.427
   25   1HD1  LEU  52          1HD1      LEU  52  41.464  -8.989   6.368
   26   2HD1  LEU  52          2HD1      LEU  52  40.585  -7.837   5.368
   27   3HD1  LEU  52          3HD1      LEU  52  39.777  -9.288   5.955
   28   1HD2  LEU  52          1HD2      LEU  52  41.268  -9.077   2.295
   29   2HD2  LEU  52          2HD2      LEU  52  39.651  -9.449   2.857
   30   3HD2  LEU  52          3HD2      LEU  52  40.401  -7.920   3.306
   31    H    CYS  53           H        CYS  53  43.049  -7.996   5.922
   32    HA   CYS  53           HA       CYS  53  42.972  -5.408   6.545
   33   1HB   CYS  53          1HB       CYS  53  41.402  -4.873   4.815
   34   2HB   CYS  53          2HB       CYS  53  40.257  -6.082   5.373
   35    HA   PRO  54           HA       PRO  54  41.855  -7.457  10.298
   36   1HB   PRO  54          1HB       PRO  54  42.378  -5.324  11.949
   37   2HB   PRO  54          2HB       PRO  54  43.636  -6.367  11.266
   38   1HG   PRO  54          1HG       PRO  54  42.886  -3.586  10.504
   39   2HG   PRO  54          2HG       PRO  54  44.438  -4.424  10.313
   40   1HD   PRO  54          1HD       PRO  54  42.515  -3.980   8.274
   41   2HD   PRO  54          2HD       PRO  54  43.922  -5.059   8.175
   42    H    ARG  55           H        ARG  55  39.866  -5.664   8.636
   43    HA   ARG  55           HA       ARG  55  37.936  -5.341  10.874
   44   1HB   ARG  55          1HB       ARG  55  38.979  -3.126  10.011
   45   2HB   ARG  55          2HB       ARG  55  38.016  -3.405   8.559
   46   1HG   ARG  55          1HG       ARG  55  36.230  -3.881  10.644
   47   2HG   ARG  55          2HG       ARG  55  37.161  -2.489  11.197
   48   1HD   ARG  55          1HD       ARG  55  36.231  -2.474   8.363
   49   2HD   ARG  55          2HD       ARG  55  35.017  -2.213   9.614
   50    HE   ARG  55           HE       ARG  55  37.251  -0.399   8.965
   51   1HH1  ARG  55          1HH1      ARG  55  37.094  -0.665  11.943
   52   2HH1  ARG  55          2HH1      ARG  55  35.951   0.568  12.361
   53   1HH2  ARG  55          1HH2      ARG  55  34.734   0.908   9.131
   54   2HH2  ARG  55          2HH2      ARG  55  34.615   1.459  10.769
   55    H    CYS  56           H        CYS  56  38.255  -5.351   7.297
   56    HA   CYS  56           HA       CYS  56  35.679  -6.844   7.226
   57   1HB   CYS  56          1HB       CYS  56  35.307  -5.969   5.011
   58   2HB   CYS  56          2HB       CYS  56  35.803  -4.607   6.012
   59    H    LYS  57           H        LYS  57  36.426  -7.473   4.362
   60    HA   LYS  57           HA       LYS  57  38.678  -9.166   4.405
   61   1HB   LYS  57          1HB       LYS  57  37.246 -11.256   3.909
   62   2HB   LYS  57          2HB       LYS  57  37.359 -10.741   5.593
   63   1HG   LYS  57          1HG       LYS  57  35.220  -9.275   4.810
   64   2HG   LYS  57          2HG       LYS  57  35.039 -10.667   3.742
   65   1HD   LYS  57          1HD       LYS  57  34.044 -11.687   5.501
   66   2HD   LYS  57          2HD       LYS  57  35.670 -11.840   6.167
   67   1HE   LYS  57          1HE       LYS  57  35.241  -9.397   7.037
   68   2HE   LYS  57          2HE       LYS  57  33.543  -9.820   6.815
   69   1HZ   LYS  57          1HZ       LYS  57  34.902 -11.939   8.087
   70   2HZ   LYS  57          2HZ       LYS  57  35.189 -10.501   8.939
   71   3HZ   LYS  57          3HZ       LYS  57  33.594 -11.017   8.658
   72    H    ARG  58           H        ARG  58  37.265  -6.999   2.847
   73    HA   ARG  58           HA       ARG  58  37.207  -8.385   0.201
   74   1HB   ARG  58          1HB       ARG  58  35.079  -7.074   1.372
   75   2HB   ARG  58          2HB       ARG  58  35.793  -5.807   0.376
   76   1HG   ARG  58          1HG       ARG  58  35.126  -8.580  -0.645
   77   2HG   ARG  58          2HG       ARG  58  34.067  -7.182  -0.830
   78   1HD   ARG  58          1HD       ARG  58  35.380  -6.232  -2.436
   79   2HD   ARG  58          2HD       ARG  58  36.876  -6.760  -1.665
   80    HE   ARG  58           HE       ARG  58  36.728  -8.826  -2.867
   81   1HH1  ARG  58          1HH1      ARG  58  33.668  -8.991  -2.556
   82   2HH1  ARG  58          2HH1      ARG  58  33.176  -8.902  -4.214
   83   1HH2  ARG  58          1HH2      ARG  58  36.247  -7.755  -5.342
   84   2HH2  ARG  58          2HH2      ARG  58  34.634  -8.200  -5.790
   85    H    GLY  59           H        GLY  59  39.606  -7.767   0.685
   86   1HA   GLY  59          1HA       GLY  59  40.773  -6.103  -1.046
   87   2HA   GLY  59          2HA       GLY  59  40.203  -4.921   0.134
   88    H    LYS  60           H        LYS  60  42.831  -4.870   0.055
   89    HA   LYS  60           HA       LYS  60  43.733  -6.504   2.392
   90   1HB   LYS  60          1HB       LYS  60  45.952  -5.667   0.762
   91   2HB   LYS  60          2HB       LYS  60  45.442  -7.299   1.178
   92   1HG   LYS  60          1HG       LYS  60  45.360  -7.285  -1.172
   93   2HG   LYS  60          2HG       LYS  60  43.683  -7.029  -0.691
   94   1HD   LYS  60          1HD       LYS  60  44.660  -4.456  -0.741
   95   2HD   LYS  60          2HD       LYS  60  45.533  -5.207  -2.078
   96   1HE   LYS  60          1HE       LYS  60  42.526  -5.326  -1.701
   97   2HE   LYS  60          2HE       LYS  60  43.358  -4.231  -2.803
   98   1HZ   LYS  60          1HZ       LYS  60  44.368  -6.259  -3.823
   99   2HZ   LYS  60          2HZ       LYS  60  43.294  -7.193  -2.894
  100   3HZ   LYS  60          3HZ       LYS  60  42.696  -6.104  -4.053
  101    H    HIS  61           H        HIS  61  43.725  -4.934   4.022
  102    HA   HIS  61           HA       HIS  61  45.597  -2.761   3.868
  103   1HB   HIS  61          1HB       HIS  61  43.809  -0.962   3.946
  104   2HB   HIS  61          2HB       HIS  61  44.168  -1.652   2.353
  105    HD1  HIS  61           HD1      HIS  61  42.298  -2.951   1.182
  106    HD2  HIS  61           HD2      HIS  61  41.374  -2.093   5.157
  107    HE1  HIS  61           HE1      HIS  61  39.900  -3.703   1.539
  108    H    TRP  62           H        TRP  62  44.762  -0.926   5.475
  109    HA   TRP  62           HA       TRP  62  44.026  -2.394   7.950
  110   1HB   TRP  62          1HB       TRP  62  45.308   0.121   8.472
  111   2HB   TRP  62          2HB       TRP  62  45.894  -1.505   8.783
  112    HD1  TRP  62           HD1      TRP  62  47.009   1.399   7.094
  113    HE1  TRP  62           HE1      TRP  62  48.622   0.879   5.147
  114    HE3  TRP  62           HE3      TRP  62  46.081  -3.566   6.515
  115    HZ2  TRP  62           HZ2      TRP  62  49.389  -1.379   3.528
  116    HZ3  TRP  62           HZ3      TRP  62  47.194  -4.858   4.749
  117    HH2  TRP  62           HH2      TRP  62  48.878  -3.796   3.275
  118    H    ALA  63           H        ALA  63  43.027  -0.907   9.650
  119    HA   ALA  63           HA       ALA  63  40.533   0.039   8.866
  120   1HB   ALA  63          1HB       ALA  63  42.225   0.292  11.234
  121   2HB   ALA  63          2HB       ALA  63  41.176   1.690  11.004
  122   3HB   ALA  63          3HB       ALA  63  40.478   0.076  11.122
  123    H    ASN  64           H        ASN  64  43.208   2.263   9.742
  124    HA   ASN  64           HA       ASN  64  42.179   4.664   8.908
  125   1HB   ASN  64          1HB       ASN  64  44.800   3.619   9.313
  126   2HB   ASN  64          2HB       ASN  64  44.823   4.541   7.805
  127   1HD2  ASN  64          1HD2      ASN  64  45.520   5.018  10.940
  128   2HD2  ASN  64          2HD2      ASN  64  44.992   6.617  11.148
  129    H    GLU  65           H        GLU  65  43.250   2.048   6.818
  130    HA   GLU  65           HA       GLU  65  42.167   3.589   4.496
  131   1HB   GLU  65          1HB       GLU  65  44.552   3.512   4.177
  132   2HB   GLU  65          2HB       GLU  65  44.614   1.803   4.624
  133   1HG   GLU  65          1HG       GLU  65  43.750   1.097   2.596
  134   2HG   GLU  65          2HG       GLU  65  42.861   2.599   2.332
  135    H    CYS  66           H        CYS  66  40.244   2.246   5.503
  136    HA   CYS  66           HA       CYS  66  40.196  -0.366   4.056
  137   1HB   CYS  66          1HB       CYS  66  40.401  -1.044   6.320
  138   2HB   CYS  66          2HB       CYS  66  39.326   0.233   6.885
  139    H    LYS  67           H        LYS  67  38.106  -1.050   3.378
  140    HA   LYS  67           HA       LYS  67  35.778   0.659   3.689
  141   1HB   LYS  67          1HB       LYS  67  37.350   0.636   1.107
  142   2HB   LYS  67          2HB       LYS  67  35.605   0.894   1.094
  143   1HG   LYS  67          1HG       LYS  67  36.075   2.694   2.906
  144   2HG   LYS  67          2HG       LYS  67  37.746   2.601   2.351
  145   1HD   LYS  67          1HD       LYS  67  35.315   3.285   0.674
  146   2HD   LYS  67          2HD       LYS  67  36.634   4.370   1.117
  147   1HE   LYS  67          1HE       LYS  67  37.602   3.757  -0.833
  148   2HE   LYS  67          2HE       LYS  67  37.943   2.214  -0.047
  149   1HZ   LYS  67          1HZ       LYS  67  35.589   1.598  -0.772
  150   2HZ   LYS  67          2HZ       LYS  67  35.700   2.916  -1.834
  151   3HZ   LYS  67          3HZ       LYS  67  36.801   1.627  -1.962
  152    H    SER  68           H        SER  68  33.890  -0.405   2.928
  153    HA   SER  68           HA       SER  68  34.187  -3.024   1.648
  154   1HB   SER  68          1HB       SER  68  34.230  -2.667   4.496
  155   2HB   SER  68          2HB       SER  68  32.775  -3.578   4.053
  156    HG   SER  68           HG       SER  68  35.483  -4.152   3.402
  157    H    LYS  69           H        LYS  69  32.784  -1.050   0.534
  158    HA   LYS  69           HA       LYS  69  30.143  -0.533   1.361
  159   1HB   LYS  69          1HB       LYS  69  29.665  -0.349  -1.155
  160   2HB   LYS  69          2HB       LYS  69  30.959   0.675  -0.529
  161   1HG   LYS  69          1HG       LYS  69  32.038  -1.898  -1.243
  162   2HG   LYS  69          2HG       LYS  69  31.135  -1.241  -2.608
  163   1HD   LYS  69          1HD       LYS  69  33.108   0.442  -1.060
  164   2HD   LYS  69          2HD       LYS  69  33.612  -0.563  -2.420
  165   1HE   LYS  69          1HE       LYS  69  31.969   0.580  -3.871
  166   2HE   LYS  69          2HE       LYS  69  31.486   1.598  -2.514
  167   1HZ   LYS  69          1HZ       LYS  69  33.751   2.431  -2.381
  168   2HZ   LYS  69          2HZ       LYS  69  34.208   1.459  -3.697
  169   3HZ   LYS  69          3HZ       LYS  69  33.095   2.718  -3.921
  170    H    THR  70           H        THR  70  29.287  -2.450   2.303
  171    HA   THR  70           HA       THR  70  28.324  -4.427   0.295
  172    HB   THR  70           HB       THR  70  29.749  -4.981   2.907
  173    HG1  THR  70           HG1      THR  70  30.556  -4.949   0.513
  174   1HG2  THR  70          1HG2      THR  70  27.561  -6.490   1.615
  175   2HG2  THR  70          2HG2      THR  70  28.986  -7.443   2.027
  176   3HG2  THR  70          3HG2      THR  70  28.142  -6.538   3.276
  177    H    ASP  71           H        ASP  71  28.025  -3.118   3.589
  178    HA   ASP  71           HA       ASP  71  25.084  -3.186   3.282
  179   1HB   ASP  71          1HB       ASP  71  26.100  -5.319   4.499
  180   2HB   ASP  71          2HB       ASP  71  26.167  -4.219   5.876
  181    H    ASN  72           H        ASN  72  24.863  -2.656   6.242
  182    HA   ASN  72           HA       ASN  72  26.104   0.068   6.264
  183   1HB   ASN  72          1HB       ASN  72  23.560  -0.055   5.830
  184   2HB   ASN  72          2HB       ASN  72  23.430  -0.549   7.522
  185   1HD2  ASN  72          1HD2      ASN  72  23.141   1.175   8.931
  186   2HD2  ASN  72          2HD2      ASN  72  23.683   2.761   8.662
  187    H    GLN  73           H        GLN  73  27.159  -2.350   7.482
  188    HA   GLN  73           HA       GLN  73  26.848  -1.656  10.364
  189   1HB   GLN  73          1HB       GLN  73  27.528  -4.310   9.060
  190   2HB   GLN  73          2HB       GLN  73  27.447  -4.015  10.793
  191   1HG   GLN  73          1HG       GLN  73  25.190  -3.915   8.792
  192   2HG   GLN  73          2HG       GLN  73  25.334  -4.956  10.207
  193   1HE2  GLN  73          1HE2      GLN  73  23.380  -2.640   9.327
  194   2HE2  GLN  73          2HE2      GLN  73  23.268  -1.695  10.742
  195    H    GLY  74           H        GLY  74  29.287  -3.912   9.920
  196   1HA   GLY  74          1HA       GLY  74  31.347  -1.755   9.697
  197   2HA   GLY  74          2HA       GLY  74  31.524  -3.139  10.787
  198    H    ASN  75           H        ASN  75  30.919  -5.290   9.392
  199    HA   ASN  75           HA       ASN  75  32.258  -5.170   6.759
  200   1HB   ASN  75          1HB       ASN  75  33.376  -7.377   7.610
  201   2HB   ASN  75          2HB       ASN  75  34.145  -5.825   7.914
  202   1HD2  ASN  75          1HD2      ASN  75  31.252  -7.093   9.583
  203   2HD2  ASN  75          2HD2      ASN  75  31.972  -7.175  11.124
  204    HA   PRO  76           HA       PRO  76  28.699  -8.044   6.744
  205   1HB   PRO  76          1HB       PRO  76  27.310  -6.687   4.817
  206   2HB   PRO  76          2HB       PRO  76  27.217  -6.253   6.531
  207   1HG   PRO  76          1HG       PRO  76  28.531  -4.774   4.333
  208   2HG   PRO  76          2HG       PRO  76  28.075  -4.202   5.946
  209   1HD   PRO  76          1HD       PRO  76  30.712  -5.074   5.019
  210   2HD   PRO  76          2HD       PRO  76  30.282  -4.392   6.603
  211    H    ILE  77           H        ILE  77  31.353  -7.731   5.264
  212    HA   ILE  77           HA       ILE  77  31.137  -8.060   2.531
  213    HB   ILE  77           HB       ILE  77  33.116  -9.761   4.012
  214   1HG1  ILE  77          1HG1      ILE  77  33.156  -7.759   5.358
  215   2HG1  ILE  77          2HG1      ILE  77  34.514  -7.641   4.238
  216   1HG2  ILE  77          1HG2      ILE  77  33.012  -9.561   1.497
  217   2HG2  ILE  77          2HG2      ILE  77  33.421  -7.855   1.680
  218   3HG2  ILE  77          3HG2      ILE  77  34.560  -9.097   2.204
  219   1HD1  ILE  77          1HD1      ILE  77  31.818  -6.431   3.609
  220   2HD1  ILE  77          2HD1      ILE  77  33.054  -5.548   4.503
  221   3HD1  ILE  77          3HD1      ILE  77  33.373  -6.083   2.855
  222    HA   PRO  78           HA       PRO  78  30.486 -12.756   3.144
  223   1HB   PRO  78          1HB       PRO  78  29.832 -13.623   5.670
  224   2HB   PRO  78          2HB       PRO  78  31.495 -13.537   5.056
  225   1HG   PRO  78          1HG       PRO  78  30.119 -11.753   7.008
  226   2HG   PRO  78          2HG       PRO  78  31.847 -12.095   6.824
  227   1HD   PRO  78          1HD       PRO  78  30.499  -9.773   5.920
  228   2HD   PRO  78          2HD       PRO  78  32.150 -10.261   5.487
  229    HA   PRO  79           HA       PRO  79  26.082 -11.980   3.004
  230   1HB   PRO  79          1HB       PRO  79  25.489 -14.131   1.400
  231   2HB   PRO  79          2HB       PRO  79  26.175 -12.613   0.788
  232   1HG   PRO  79          1HG       PRO  79  27.506 -15.253   1.173
  233   2HG   PRO  79          2HG       PRO  79  27.913 -13.944   0.051
  234   1HD   PRO  79          1HD       PRO  79  29.231 -14.521   2.495
  235   2HD   PRO  79          2HD       PRO  79  29.430 -13.052   1.517
  236    H    HIS  80           H        HIS  80  24.075 -13.621   3.203
  237    HA   HIS  80           HA       HIS  80  24.339 -16.072   4.608
  238   1HB   HIS  80          1HB       HIS  80  23.511 -15.071   6.886
  239   2HB   HIS  80          2HB       HIS  80  25.235 -15.054   6.516
  240    HD1  HIS  80           HD1      HIS  80  22.747 -12.679   4.958
  241    HD2  HIS  80           HD2      HIS  80  25.810 -12.605   7.783
  242    HE1  HIS  80           HE1      HIS  80  23.165 -10.240   5.499
  Start of MODEL    9
    1    H    VAL  49           H        VAL  49  53.340  -5.463   2.761
    2    HA   VAL  49           HA       VAL  49  53.165  -4.403   5.550
    3    HB   VAL  49           HB       VAL  49  50.978  -3.412   4.092
    4   1HG1  VAL  49          1HG1      VAL  49  53.632  -2.126   4.797
    5   2HG1  VAL  49          2HG1      VAL  49  52.176  -1.238   4.350
    6   3HG1  VAL  49          3HG1      VAL  49  52.204  -2.201   5.826
    7   1HG2  VAL  49          1HG2      VAL  49  52.115  -4.060   1.991
    8   2HG2  VAL  49          2HG2      VAL  49  52.010  -2.307   2.146
    9   3HG2  VAL  49          3HG2      VAL  49  53.533  -3.132   2.478
   10    HA   PRO  50           HA       PRO  50  49.924  -7.231   6.341
   11   1HB   PRO  50          1HB       PRO  50  47.793  -5.640   7.162
   12   2HB   PRO  50          2HB       PRO  50  49.167  -6.115   8.175
   13   1HG   PRO  50          1HG       PRO  50  48.630  -3.468   6.890
   14   2HG   PRO  50          2HG       PRO  50  49.558  -3.849   8.343
   15   1HD   PRO  50          1HD       PRO  50  50.662  -3.241   5.853
   16   2HD   PRO  50          2HD       PRO  50  51.518  -4.054   7.179
   17    H    GLY  51           H        GLY  51  47.560  -7.882   5.624
   18   1HA   GLY  51          1HA       GLY  51  47.117  -6.717   2.900
   19   2HA   GLY  51          2HA       GLY  51  47.151  -8.457   3.151
   20    H    LEU  52           H        LEU  52  45.162  -9.010   2.600
   21    HA   LEU  52           HA       LEU  52  42.806  -8.587   2.246
   22   1HB   LEU  52          1HB       LEU  52  43.212 -10.681   3.440
   23   2HB   LEU  52          2HB       LEU  52  43.148  -9.816   4.982
   24    HG   LEU  52           HG       LEU  52  40.887  -9.505   3.046
   25   1HD1  LEU  52          1HD1      LEU  52  41.221 -11.816   4.979
   26   2HD1  LEU  52          2HD1      LEU  52  39.755 -11.450   4.071
   27   3HD1  LEU  52          3HD1      LEU  52  41.219 -11.943   3.221
   28   1HD2  LEU  52          1HD2      LEU  52  41.452  -9.048   5.892
   29   2HD2  LEU  52          2HD2      LEU  52  40.396  -8.161   4.791
   30   3HD2  LEU  52          3HD2      LEU  52  39.843  -9.663   5.534
   31    H    CYS  53           H        CYS  53  43.161  -8.091   5.639
   32    HA   CYS  53           HA       CYS  53  42.880  -5.607   6.358
   33   1HB   CYS  53          1HB       CYS  53  41.337  -5.097   4.552
   34   2HB   CYS  53          2HB       CYS  53  40.178  -6.274   5.160
   35    HA   PRO  54           HA       PRO  54  41.698  -7.951   9.943
   36   1HB   PRO  54          1HB       PRO  54  42.305  -5.976  11.753
   37   2HB   PRO  54          2HB       PRO  54  43.522  -7.018  10.995
   38   1HG   PRO  54          1HG       PRO  54  42.888  -4.158  10.438
   39   2HG   PRO  54          2HG       PRO  54  44.410  -5.038  10.206
   40   1HD   PRO  54          1HD       PRO  54  42.550  -4.371   8.176
   41   2HD   PRO  54          2HD       PRO  54  43.899  -5.517   8.023
   42    H    ARG  55           H        ARG  55  39.953  -5.657   8.479
   43    HA   ARG  55           HA       ARG  55  37.982  -5.438  10.711
   44   1HB   ARG  55          1HB       ARG  55  39.180  -3.377   9.159
   45   2HB   ARG  55          2HB       ARG  55  37.498  -3.497   8.642
   46   1HG   ARG  55          1HG       ARG  55  37.017  -2.249  10.469
   47   2HG   ARG  55          2HG       ARG  55  37.309  -3.724  11.393
   48   1HD   ARG  55          1HD       ARG  55  39.766  -3.063  11.441
   49   2HD   ARG  55          2HD       ARG  55  39.269  -1.495  10.805
   50    HE   ARG  55           HE       ARG  55  37.793  -1.348  12.896
   51   1HH1  ARG  55          1HH1      ARG  55  41.050  -2.032  12.821
   52   2HH1  ARG  55          2HH1      ARG  55  41.168  -2.577  14.462
   53   1HH2  ARG  55          1HH2      ARG  55  37.739  -2.608  14.975
   54   2HH2  ARG  55          2HH2      ARG  55  39.293  -2.903  15.681
   55    H    CYS  56           H        CYS  56  38.118  -5.241   7.126
   56    HA   CYS  56           HA       CYS  56  35.554  -6.734   7.080
   57   1HB   CYS  56          1HB       CYS  56  35.226  -5.897   4.852
   58   2HB   CYS  56          2HB       CYS  56  35.768  -4.530   5.822
   59    H    LYS  57           H        LYS  57  36.314  -7.443   4.214
   60    HA   LYS  57           HA       LYS  57  38.512  -9.224   4.380
   61   1HB   LYS  57          1HB       LYS  57  35.701 -10.275   4.606
   62   2HB   LYS  57          2HB       LYS  57  36.993 -11.268   3.923
   63   1HG   LYS  57          1HG       LYS  57  38.291 -10.568   6.104
   64   2HG   LYS  57          2HG       LYS  57  36.672 -10.249   6.728
   65   1HD   LYS  57          1HD       LYS  57  36.924 -12.810   5.295
   66   2HD   LYS  57          2HD       LYS  57  37.887 -12.711   6.769
   67   1HE   LYS  57          1HE       LYS  57  35.887 -12.018   8.036
   68   2HE   LYS  57          2HE       LYS  57  34.919 -12.113   6.563
   69   1HZ   LYS  57          1HZ       LYS  57  36.168 -14.520   6.661
   70   2HZ   LYS  57          2HZ       LYS  57  35.823 -14.214   8.296
   71   3HZ   LYS  57          3HZ       LYS  57  34.572 -14.220   7.146
   72    H    ARG  58           H        ARG  58  37.199  -7.081   2.696
   73    HA   ARG  58           HA       ARG  58  37.113  -8.640   0.147
   74   1HB   ARG  58          1HB       ARG  58  35.019  -7.264   1.132
   75   2HB   ARG  58          2HB       ARG  58  35.847  -5.949   0.294
   76   1HG   ARG  58          1HG       ARG  58  34.297  -6.963  -1.265
   77   2HG   ARG  58          2HG       ARG  58  35.932  -7.410  -1.756
   78   1HD   ARG  58          1HD       ARG  58  35.429  -9.591  -1.541
   79   2HD   ARG  58          2HD       ARG  58  34.979  -9.339   0.146
   80    HE   ARG  58           HE       ARG  58  32.687  -9.130  -0.534
   81   1HH1  ARG  58          1HH1      ARG  58  33.910  -7.831  -3.210
   82   2HH1  ARG  58          2HH1      ARG  58  33.132  -8.864  -4.362
   83   1HH2  ARG  58          1HH2      ARG  58  32.094 -11.170  -1.996
   84   2HH2  ARG  58          2HH2      ARG  58  32.106 -10.751  -3.675
   85    H    GLY  59           H        GLY  59  39.354  -7.133   1.701
   86   1HA   GLY  59          1HA       GLY  59  40.349  -5.784  -0.748
   87   2HA   GLY  59          2HA       GLY  59  40.173  -4.762   0.680
   88    H    LYS  60           H        LYS  60  42.312  -4.413   1.043
   89    HA   LYS  60           HA       LYS  60  43.823  -6.468   2.410
   90   1HB   LYS  60          1HB       LYS  60  45.629  -5.341   0.486
   91   2HB   LYS  60          2HB       LYS  60  45.204  -7.023   0.750
   92   1HG   LYS  60          1HG       LYS  60  43.380  -6.923  -0.789
   93   2HG   LYS  60          2HG       LYS  60  43.504  -5.167  -0.903
   94   1HD   LYS  60          1HD       LYS  60  45.770  -5.413  -1.897
   95   2HD   LYS  60          2HD       LYS  60  45.583  -7.166  -1.841
   96   1HE   LYS  60          1HE       LYS  60  44.829  -6.819  -3.984
   97   2HE   LYS  60          2HE       LYS  60  43.309  -6.555  -3.131
   98   1HZ   LYS  60          1HZ       LYS  60  44.487  -4.134  -3.004
   99   2HZ   LYS  60          2HZ       LYS  60  44.976  -4.677  -4.537
  100   3HZ   LYS  60          3HZ       LYS  60  43.325  -4.588  -4.156
  101    H    HIS  61           H        HIS  61  43.387  -4.799   4.050
  102    HA   HIS  61           HA       HIS  61  45.494  -2.789   4.166
  103   1HB   HIS  61          1HB       HIS  61  43.801  -0.889   4.230
  104   2HB   HIS  61          2HB       HIS  61  44.199  -1.530   2.622
  105    HD1  HIS  61           HD1      HIS  61  42.208  -2.272   1.247
  106    HD2  HIS  61           HD2      HIS  61  41.379  -2.335   5.335
  107    HE1  HIS  61           HE1      HIS  61  39.799  -3.055   1.483
  108    H    TRP  62           H        TRP  62  44.618  -0.985   5.832
  109    HA   TRP  62           HA       TRP  62  43.658  -2.569   8.152
  110   1HB   TRP  62          1HB       TRP  62  44.961  -0.149   8.938
  111   2HB   TRP  62          2HB       TRP  62  45.488  -1.809   9.159
  112    HD1  TRP  62           HD1      TRP  62  46.769   1.183   7.791
  113    HE1  TRP  62           HE1      TRP  62  48.532   0.792   5.956
  114    HE3  TRP  62           HE3      TRP  62  45.815  -3.694   6.720
  115    HZ2  TRP  62           HZ2      TRP  62  49.399  -1.327   4.228
  116    HZ3  TRP  62           HZ3      TRP  62  47.058  -4.851   4.948
  117    HH2  TRP  62           HH2      TRP  62  48.884  -3.702   3.709
  118    H    ALA  63           H        ALA  63  42.635  -1.125   9.898
  119    HA   ALA  63           HA       ALA  63  40.208  -0.041   9.011
  120   1HB   ALA  63          1HB       ALA  63  41.305  -0.518  11.462
  121   2HB   ALA  63          2HB       ALA  63  41.325   1.246  11.428
  122   3HB   ALA  63          3HB       ALA  63  39.805   0.377  11.215
  123    H    ASN  64           H        ASN  64  42.942   1.928  10.237
  124    HA   ASN  64           HA       ASN  64  42.110   4.469   9.631
  125   1HB   ASN  64          1HB       ASN  64  44.659   3.162   9.898
  126   2HB   ASN  64          2HB       ASN  64  44.748   4.337   8.581
  127   1HD2  ASN  64          1HD2      ASN  64  43.026   4.321  11.762
  128   2HD2  ASN  64          2HD2      ASN  64  43.621   5.834  12.251
  129    H    GLU  65           H        GLU  65  42.993   1.978   7.340
  130    HA   GLU  65           HA       GLU  65  42.000   3.728   5.143
  131   1HB   GLU  65          1HB       GLU  65  44.414   3.828   4.958
  132   2HB   GLU  65          2HB       GLU  65  44.550   2.076   5.147
  133   1HG   GLU  65          1HG       GLU  65  44.449   1.934   2.894
  134   2HG   GLU  65          2HG       GLU  65  42.759   2.423   3.018
  135    H    CYS  66           H        CYS  66  40.144   2.170   5.930
  136    HA   CYS  66           HA       CYS  66  40.356  -0.317   4.298
  137   1HB   CYS  66          1HB       CYS  66  40.417  -1.217   6.450
  138   2HB   CYS  66          2HB       CYS  66  39.393   0.047   7.117
  139    H    LYS  67           H        LYS  67  38.341  -1.144   3.509
  140    HA   LYS  67           HA       LYS  67  35.921   0.477   3.638
  141   1HB   LYS  67          1HB       LYS  67  35.886   0.725   1.085
  142   2HB   LYS  67          2HB       LYS  67  37.001   1.792   1.940
  143   1HG   LYS  67          1HG       LYS  67  38.862   0.269   1.475
  144   2HG   LYS  67          2HG       LYS  67  37.764  -0.859   0.679
  145   1HD   LYS  67          1HD       LYS  67  37.261   1.582  -0.581
  146   2HD   LYS  67          2HD       LYS  67  39.014   1.554  -0.376
  147   1HE   LYS  67          1HE       LYS  67  37.812  -0.992  -1.290
  148   2HE   LYS  67          2HE       LYS  67  37.724   0.340  -2.443
  149   1HZ   LYS  67          1HZ       LYS  67  40.190  -0.595  -1.078
  150   2HZ   LYS  67          2HZ       LYS  67  39.771  -0.925  -2.692
  151   3HZ   LYS  67          3HZ       LYS  67  40.097   0.668  -2.211
  152    H    SER  68           H        SER  68  34.189  -0.608   2.259
  153    HA   SER  68           HA       SER  68  34.741  -3.328   1.385
  154   1HB   SER  68          1HB       SER  68  34.315  -2.852   4.130
  155   2HB   SER  68          2HB       SER  68  32.820  -3.593   3.532
  156    HG   SER  68           HG       SER  68  34.564  -5.002   2.382
  157    H    LYS  69           H        LYS  69  32.306  -0.956   2.422
  158    HA   LYS  69           HA       LYS  69  30.080  -0.660   1.671
  159   1HB   LYS  69          1HB       LYS  69  31.911  -0.042  -0.253
  160   2HB   LYS  69          2HB       LYS  69  30.915  -1.218  -1.110
  161   1HG   LYS  69          1HG       LYS  69  29.114   0.443   0.292
  162   2HG   LYS  69          2HG       LYS  69  30.299   1.523  -0.442
  163   1HD   LYS  69          1HD       LYS  69  29.790  -0.342  -2.444
  164   2HD   LYS  69          2HD       LYS  69  28.206  -0.066  -1.717
  165   1HE   LYS  69          1HE       LYS  69  29.214   2.487  -1.854
  166   2HE   LYS  69          2HE       LYS  69  29.877   1.756  -3.315
  167   1HZ   LYS  69          1HZ       LYS  69  27.583   0.947  -3.792
  168   2HZ   LYS  69          2HZ       LYS  69  27.028   1.909  -2.507
  169   3HZ   LYS  69          3HZ       LYS  69  27.761   2.632  -3.857
  170    H    THR  70           H        THR  70  29.774  -2.992   2.662
  171    HA   THR  70           HA       THR  70  28.812  -4.778   0.464
  172    HB   THR  70           HB       THR  70  30.261  -5.351   3.023
  173    HG1  THR  70           HG1      THR  70  30.256  -6.924   0.716
  174   1HG2  THR  70          1HG2      THR  70  27.932  -6.901   2.006
  175   2HG2  THR  70          2HG2      THR  70  29.354  -7.826   2.489
  176   3HG2  THR  70          3HG2      THR  70  28.564  -6.756   3.641
  177    H    ASP  71           H        ASP  71  28.130  -3.330   3.611
  178    HA   ASP  71           HA       ASP  71  25.250  -3.870   3.120
  179   1HB   ASP  71          1HB       ASP  71  26.098  -5.672   4.625
  180   2HB   ASP  71          2HB       ASP  71  26.575  -4.435   5.787
  181    H    ASN  72           H        ASN  72  25.698  -2.827   6.299
  182    HA   ASN  72           HA       ASN  72  26.005   0.022   5.594
  183   1HB   ASN  72          1HB       ASN  72  23.872   0.726   6.344
  184   2HB   ASN  72          2HB       ASN  72  23.534  -0.690   5.342
  185   1HD2  ASN  72          1HD2      ASN  72  23.943  -2.848   6.941
  186   2HD2  ASN  72          2HD2      ASN  72  23.006  -2.772   8.354
  187    H    GLN  73           H        GLN  73  27.347  -2.077   7.313
  188    HA   GLN  73           HA       GLN  73  27.133  -0.640   9.924
  189   1HB   GLN  73          1HB       GLN  73  27.589  -3.537   9.227
  190   2HB   GLN  73          2HB       GLN  73  28.151  -2.886  10.765
  191   1HG   GLN  73          1HG       GLN  73  26.035  -2.665  11.596
  192   2HG   GLN  73          2HG       GLN  73  25.368  -2.189  10.033
  193   1HE2  GLN  73          1HE2      GLN  73  24.574  -4.394  12.075
  194   2HE2  GLN  73          2HE2      GLN  73  24.449  -5.797  11.113
  195    H    GLY  74           H        GLY  74  29.562  -3.014   9.088
  196   1HA   GLY  74          1HA       GLY  74  31.582  -0.918   8.536
  197   2HA   GLY  74          2HA       GLY  74  31.860  -1.964   9.937
  198    H    ASN  75           H        ASN  75  31.397  -4.409   9.314
  199    HA   ASN  75           HA       ASN  75  32.532  -4.958   6.623
  200   1HB   ASN  75          1HB       ASN  75  33.607  -6.960   7.959
  201   2HB   ASN  75          2HB       ASN  75  34.444  -5.423   7.797
  202   1HD2  ASN  75          1HD2      ASN  75  31.655  -6.180   9.913
  203   2HD2  ASN  75          2HD2      ASN  75  32.466  -5.836  11.374
  204    HA   PRO  76           HA       PRO  76  28.881  -7.623   7.297
  205   1HB   PRO  76          1HB       PRO  76  27.541  -6.686   5.107
  206   2HB   PRO  76          2HB       PRO  76  27.480  -5.858   6.674
  207   1HG   PRO  76          1HG       PRO  76  28.847  -5.005   4.193
  208   2HG   PRO  76          2HG       PRO  76  28.428  -4.043   5.618
  209   1HD   PRO  76          1HD       PRO  76  31.008  -5.226   4.929
  210   2HD   PRO  76          2HD       PRO  76  30.622  -4.174   6.308
  211    H    ILE  77           H        ILE  77  31.515  -7.862   5.843
  212    HA   ILE  77           HA       ILE  77  31.165  -8.762   3.218
  213    HB   ILE  77           HB       ILE  77  33.244 -10.067   4.927
  214   1HG1  ILE  77          1HG1      ILE  77  33.332  -7.852   5.842
  215   2HG1  ILE  77          2HG1      ILE  77  34.602  -7.925   4.625
  216   1HG2  ILE  77          1HG2      ILE  77  32.865  -9.168   2.118
  217   2HG2  ILE  77          2HG2      ILE  77  34.499  -9.063   2.773
  218   3HG2  ILE  77          3HG2      ILE  77  33.661 -10.613   2.742
  219   1HD1  ILE  77          1HD1      ILE  77  31.880  -6.968   3.795
  220   2HD1  ILE  77          2HD1      ILE  77  32.928  -5.874   4.691
  221   3HD1  ILE  77          3HD1      ILE  77  33.462  -6.538   3.147
  222    HA   PRO  78           HA       PRO  78  30.670 -13.186   4.988
  223   1HB   PRO  78          1HB       PRO  78  30.149 -13.406   7.682
  224   2HB   PRO  78          2HB       PRO  78  31.781 -13.455   6.986
  225   1HG   PRO  78          1HG       PRO  78  30.446 -11.254   8.491
  226   2HG   PRO  78          2HG       PRO  78  32.173 -11.617   8.327
  227   1HD   PRO  78          1HD       PRO  78  30.758  -9.605   6.934
  228   2HD   PRO  78          2HD       PRO  78  32.391 -10.188   6.550
  229    HA   PRO  79           HA       PRO  79  26.255 -12.649   4.862
  230   1HB   PRO  79          1HB       PRO  79  25.661 -15.246   4.193
  231   2HB   PRO  79          2HB       PRO  79  26.279 -14.054   3.033
  232   1HG   PRO  79          1HG       PRO  79  27.700 -16.346   4.303
  233   2HG   PRO  79          2HG       PRO  79  28.026 -15.539   2.760
  234   1HD   PRO  79          1HD       PRO  79  29.455 -15.154   5.179
  235   2HD   PRO  79          2HD       PRO  79  29.568 -14.144   3.721
  236    H    HIS  80           H        HIS  80  27.013 -15.912   6.080
  237    HA   HIS  80           HA       HIS  80  26.213 -15.354   8.796
  238   1HB   HIS  80          1HB       HIS  80  24.036 -15.394   7.253
  239   2HB   HIS  80          2HB       HIS  80  24.224 -17.135   7.453
  240    HD1  HIS  80           HD1      HIS  80  21.836 -15.680   8.766
  241    HD2  HIS  80           HD2      HIS  80  25.451 -16.410  10.709
  242    HE1  HIS  80           HE1      HIS  80  21.336 -15.633  11.248
  Start of MODEL   10
    1    H    VAL  49           H        VAL  49  53.083  -4.599   8.636
    2    HA   VAL  49           HA       VAL  49  53.063  -4.477   5.652
    3    HB   VAL  49           HB       VAL  49  54.181  -6.816   7.214
    4   1HG1  VAL  49          1HG1      VAL  49  53.497  -6.327   4.482
    5   2HG1  VAL  49          2HG1      VAL  49  55.252  -6.466   4.591
    6   3HG1  VAL  49          3HG1      VAL  49  54.225  -7.772   5.181
    7   1HG2  VAL  49          1HG2      VAL  49  55.489  -4.286   6.251
    8   2HG2  VAL  49          2HG2      VAL  49  55.754  -5.173   7.753
    9   3HG2  VAL  49          3HG2      VAL  49  56.403  -5.796   6.236
   10    HA   PRO  50           HA       PRO  50  49.406  -6.731   7.575
   11   1HB   PRO  50          1HB       PRO  50  47.512  -4.792   7.102
   12   2HB   PRO  50          2HB       PRO  50  48.401  -4.959   8.614
   13   1HG   PRO  50          1HG       PRO  50  48.776  -2.920   6.474
   14   2HG   PRO  50          2HG       PRO  50  49.133  -2.815   8.200
   15   1HD   PRO  50          1HD       PRO  50  51.020  -3.251   6.150
   16   2HD   PRO  50          2HD       PRO  50  51.277  -3.489   7.893
   17    H    GLY  51           H        GLY  51  47.313  -7.272   6.234
   18   1HA   GLY  51          1HA       GLY  51  47.828  -6.832   3.326
   19   2HA   GLY  51          2HA       GLY  51  47.629  -8.474   3.930
   20    H    LEU  52           H        LEU  52  45.731  -9.183   3.226
   21    HA   LEU  52           HA       LEU  52  43.576  -8.345   2.097
   22   1HB   LEU  52          1HB       LEU  52  43.500 -10.548   3.041
   23   2HB   LEU  52          2HB       LEU  52  43.365  -9.890   4.678
   24    HG   LEU  52           HG       LEU  52  41.360  -8.958   2.692
   25   1HD1  LEU  52          1HD1      LEU  52  41.784 -11.612   2.627
   26   2HD1  LEU  52          2HD1      LEU  52  40.745 -11.537   4.050
   27   3HD1  LEU  52          3HD1      LEU  52  40.169 -10.916   2.503
   28   1HD2  LEU  52          1HD2      LEU  52  41.759  -9.035   5.520
   29   2HD2  LEU  52          2HD2      LEU  52  40.512  -8.192   4.600
   30   3HD2  LEU  52          3HD2      LEU  52  40.251  -9.855   5.127
   31    H    CYS  53           H        CYS  53  43.441  -7.980   5.563
   32    HA   CYS  53           HA       CYS  53  43.003  -5.504   6.248
   33   1HB   CYS  53          1HB       CYS  53  41.588  -5.072   4.306
   34   2HB   CYS  53          2HB       CYS  53  40.432  -6.289   4.838
   35    HA   PRO  54           HA       PRO  54  41.609  -7.981   9.676
   36   1HB   PRO  54          1HB       PRO  54  42.185  -6.087  11.583
   37   2HB   PRO  54          2HB       PRO  54  43.406  -7.147  10.857
   38   1HG   PRO  54          1HG       PRO  54  42.911  -4.249  10.373
   39   2HG   PRO  54          2HG       PRO  54  44.406  -5.183  10.173
   40   1HD   PRO  54          1HD       PRO  54  42.651  -4.370   8.095
   41   2HD   PRO  54          2HD       PRO  54  43.982  -5.537   7.951
   42    H    ARG  55           H        ARG  55  39.993  -5.684   8.146
   43    HA   ARG  55           HA       ARG  55  37.945  -5.331  10.290
   44   1HB   ARG  55          1HB       ARG  55  39.148  -3.240   9.315
   45   2HB   ARG  55          2HB       ARG  55  38.205  -3.556   7.858
   46   1HG   ARG  55          1HG       ARG  55  36.385  -2.622   8.790
   47   2HG   ARG  55          2HG       ARG  55  36.482  -3.737  10.153
   48   1HD   ARG  55          1HD       ARG  55  38.558  -1.951  10.632
   49   2HD   ARG  55          2HD       ARG  55  37.266  -0.925  10.004
   50    HE   ARG  55           HE       ARG  55  36.168  -1.249  12.054
   51   1HH1  ARG  55          1HH1      ARG  55  38.928  -3.146  12.099
   52   2HH1  ARG  55          2HH1      ARG  55  38.333  -4.302  13.243
   53   1HH2  ARG  55          1HH2      ARG  55  35.094  -3.068  13.207
   54   2HH2  ARG  55          2HH2      ARG  55  36.164  -4.258  13.870
   55    H    CYS  56           H        CYS  56  38.176  -5.230   6.710
   56    HA   CYS  56           HA       CYS  56  35.631  -6.741   6.608
   57   1HB   CYS  56          1HB       CYS  56  35.419  -6.009   4.331
   58   2HB   CYS  56          2HB       CYS  56  35.958  -4.602   5.243
   59    H    LYS  57           H        LYS  57  36.538  -7.628   3.846
   60    HA   LYS  57           HA       LYS  57  38.740  -9.371   4.224
   61   1HB   LYS  57          1HB       LYS  57  35.988 -10.352   4.717
   62   2HB   LYS  57          2HB       LYS  57  37.002 -11.381   3.698
   63   1HG   LYS  57          1HG       LYS  57  38.531 -10.436   5.957
   64   2HG   LYS  57          2HG       LYS  57  37.043 -11.199   6.519
   65   1HD   LYS  57          1HD       LYS  57  37.536 -13.227   5.325
   66   2HD   LYS  57          2HD       LYS  57  38.881 -12.468   4.474
   67   1HE   LYS  57          1HE       LYS  57  39.630 -13.912   6.371
   68   2HE   LYS  57          2HE       LYS  57  40.125 -12.230   6.556
   69   1HZ   LYS  57          1HZ       LYS  57  37.605 -13.233   7.727
   70   2HZ   LYS  57          2HZ       LYS  57  39.082 -13.382   8.553
   71   3HZ   LYS  57          3HZ       LYS  57  38.491 -11.846   8.145
   72    H    ARG  58           H        ARG  58  37.467  -7.373   2.329
   73    HA   ARG  58           HA       ARG  58  37.539  -9.127  -0.094
   74   1HB   ARG  58          1HB       ARG  58  35.336  -7.798   0.686
   75   2HB   ARG  58          2HB       ARG  58  36.138  -6.503  -0.209
   76   1HG   ARG  58          1HG       ARG  58  35.999  -7.625  -2.230
   77   2HG   ARG  58          2HG       ARG  58  36.004  -9.215  -1.468
   78   1HD   ARG  58          1HD       ARG  58  33.768  -9.240  -1.751
   79   2HD   ARG  58          2HD       ARG  58  33.684  -7.999  -0.501
   80    HE   ARG  58           HE       ARG  58  34.057  -6.397  -2.572
   81   1HH1  ARG  58          1HH1      ARG  58  31.228  -7.116  -1.835
   82   2HH1  ARG  58          2HH1      ARG  58  30.591  -7.652  -3.352
   83   1HH2  ARG  58          1HH2      ARG  58  33.705  -8.056  -4.822
   84   2HH2  ARG  58          2HH2      ARG  58  31.991  -8.184  -5.043
   85    H    GLY  59           H        GLY  59  39.609  -7.388   1.422
   86   1HA   GLY  59          1HA       GLY  59  40.717  -6.230  -1.057
   87   2HA   GLY  59          2HA       GLY  59  40.365  -5.069   0.226
   88    H    LYS  60           H        LYS  60  42.678  -4.687   0.251
   89    HA   LYS  60           HA       LYS  60  44.102  -6.501   2.100
   90   1HB   LYS  60          1HB       LYS  60  46.063  -5.514   0.344
   91   2HB   LYS  60          2HB       LYS  60  45.496  -7.174   0.476
   92   1HG   LYS  60          1HG       LYS  60  43.898  -6.899  -1.252
   93   2HG   LYS  60          2HG       LYS  60  44.070  -5.143  -1.227
   94   1HD   LYS  60          1HD       LYS  60  45.648  -5.316  -2.822
   95   2HD   LYS  60          2HD       LYS  60  46.662  -6.193  -1.674
   96   1HE   LYS  60          1HE       LYS  60  45.488  -8.302  -2.313
   97   2HE   LYS  60          2HE       LYS  60  44.597  -7.399  -3.538
   98   1HZ   LYS  60          1HZ       LYS  60  47.409  -6.925  -3.679
   99   2HZ   LYS  60          2HZ       LYS  60  47.041  -8.575  -3.856
  100   3HZ   LYS  60          3HZ       LYS  60  46.336  -7.435  -4.896
  101    H    HIS  61           H        HIS  61  43.654  -4.853   3.681
  102    HA   HIS  61           HA       HIS  61  45.603  -2.717   3.733
  103   1HB   HIS  61          1HB       HIS  61  43.831  -0.909   3.721
  104   2HB   HIS  61          2HB       HIS  61  44.274  -1.576   2.137
  105    HD1  HIS  61           HD1      HIS  61  42.401  -2.663   0.793
  106    HD2  HIS  61           HD2      HIS  61  41.366  -2.211   4.810
  107    HE1  HIS  61           HE1      HIS  61  39.981  -3.421   1.009
  108    H    TRP  62           H        TRP  62  44.643  -0.914   5.328
  109    HA   TRP  62           HA       TRP  62  43.910  -2.471   7.734
  110   1HB   TRP  62          1HB       TRP  62  44.812   0.268   8.179
  111   2HB   TRP  62          2HB       TRP  62  45.477  -1.249   8.760
  112    HD1  TRP  62           HD1      TRP  62  46.762   1.487   7.048
  113    HE1  TRP  62           HE1      TRP  62  48.540   0.887   5.275
  114    HE3  TRP  62           HE3      TRP  62  45.823  -3.482   6.536
  115    HZ2  TRP  62           HZ2      TRP  62  49.425  -1.435   3.808
  116    HZ3  TRP  62           HZ3      TRP  62  47.080  -4.845   4.926
  117    HH2  TRP  62           HH2      TRP  62  48.892  -3.851   3.581
  118    H    ALA  63           H        ALA  63  42.701  -1.137   9.431
  119    HA   ALA  63           HA       ALA  63  40.104  -0.521   8.531
  120   1HB   ALA  63          1HB       ALA  63  41.646  -0.087  11.031
  121   2HB   ALA  63          2HB       ALA  63  40.210   0.916  10.819
  122   3HB   ALA  63          3HB       ALA  63  40.069  -0.842  10.796
  123    H    ASN  64           H        ASN  64  42.429   1.911   9.781
  124    HA   ASN  64           HA       ASN  64  41.150   4.240   9.077
  125   1HB   ASN  64          1HB       ASN  64  43.817   3.516   9.664
  126   2HB   ASN  64          2HB       ASN  64  43.886   4.460   8.172
  127   1HD2  ASN  64          1HD2      ASN  64  43.243   6.711   8.267
  128   2HD2  ASN  64          2HD2      ASN  64  42.950   7.503   9.739
  129    H    GLU  65           H        GLU  65  42.938   2.111   6.876
  130    HA   GLU  65           HA       GLU  65  41.830   3.695   4.592
  131   1HB   GLU  65          1HB       GLU  65  44.307   3.642   4.694
  132   2HB   GLU  65          2HB       GLU  65  44.260   1.875   4.664
  133   1HG   GLU  65          1HG       GLU  65  42.724   2.417   2.499
  134   2HG   GLU  65          2HG       GLU  65  43.796   3.818   2.469
  135    H    CYS  66           H        CYS  66  39.951   2.107   5.489
  136    HA   CYS  66           HA       CYS  66  40.076  -0.308   3.734
  137   1HB   CYS  66          1HB       CYS  66  40.275  -1.228   5.909
  138   2HB   CYS  66          2HB       CYS  66  39.140  -0.072   6.595
  139    H    LYS  67           H        LYS  67  37.970  -1.051   3.018
  140    HA   LYS  67           HA       LYS  67  35.628   0.644   3.414
  141   1HB   LYS  67          1HB       LYS  67  37.376   1.201   1.229
  142   2HB   LYS  67          2HB       LYS  67  35.941   0.422   0.562
  143   1HG   LYS  67          1HG       LYS  67  34.490   2.068   1.457
  144   2HG   LYS  67          2HG       LYS  67  35.725   2.671   2.564
  145   1HD   LYS  67          1HD       LYS  67  36.514   2.771  -0.271
  146   2HD   LYS  67          2HD       LYS  67  35.134   3.796   0.125
  147   1HE   LYS  67          1HE       LYS  67  36.877   4.224   2.245
  148   2HE   LYS  67          2HE       LYS  67  37.952   4.112   0.851
  149   1HZ   LYS  67          1HZ       LYS  67  35.517   5.802   0.889
  150   2HZ   LYS  67          2HZ       LYS  67  37.054   6.379   1.329
  151   3HZ   LYS  67          3HZ       LYS  67  36.773   5.819  -0.252
  152    H    SER  68           H        SER  68  33.722  -0.419   2.681
  153    HA   SER  68           HA       SER  68  33.947  -2.987   1.321
  154   1HB   SER  68          1HB       SER  68  34.322  -2.798   4.138
  155   2HB   SER  68          2HB       SER  68  32.780  -3.623   3.857
  156    HG   SER  68           HG       SER  68  34.271  -4.716   2.127
  157    H    LYS  69           H        LYS  69  32.396  -1.175   0.319
  158    HA   LYS  69           HA       LYS  69  29.865  -0.606   1.410
  159   1HB   LYS  69          1HB       LYS  69  31.001  -0.771  -1.328
  160   2HB   LYS  69          2HB       LYS  69  29.243  -0.876  -1.217
  161   1HG   LYS  69          1HG       LYS  69  29.904   1.465  -1.452
  162   2HG   LYS  69          2HG       LYS  69  29.239   1.200   0.161
  163   1HD   LYS  69          1HD       LYS  69  31.712   0.752   0.850
  164   2HD   LYS  69          2HD       LYS  69  32.111   1.587  -0.651
  165   1HE   LYS  69          1HE       LYS  69  31.968   3.470   0.615
  166   2HE   LYS  69          2HE       LYS  69  30.227   3.266   0.409
  167   1HZ   LYS  69          1HZ       LYS  69  30.294   1.850   2.447
  168   2HZ   LYS  69          2HZ       LYS  69  31.901   2.350   2.677
  169   3HZ   LYS  69          3HZ       LYS  69  30.641   3.489   2.713
  170    H    THR  70           H        THR  70  29.124  -2.466   2.548
  171    HA   THR  70           HA       THR  70  27.923  -4.530   0.773
  172    HB   THR  70           HB       THR  70  29.735  -4.966   3.144
  173    HG1  THR  70           HG1      THR  70  29.543  -5.718   0.474
  174   1HG2  THR  70          1HG2      THR  70  27.664  -6.908   2.091
  175   2HG2  THR  70          2HG2      THR  70  28.950  -7.292   3.230
  176   3HG2  THR  70          3HG2      THR  70  27.676  -6.169   3.693
  177    H    ASP  71           H        ASP  71  27.996  -2.972   3.964
  178    HA   ASP  71           HA       ASP  71  25.047  -3.117   4.029
  179   1HB   ASP  71          1HB       ASP  71  26.217  -5.157   5.241
  180   2HB   ASP  71          2HB       ASP  71  26.461  -3.975   6.527
  181    H    ASN  72           H        ASN  72  25.177  -2.395   6.964
  182    HA   ASN  72           HA       ASN  72  26.340   0.341   6.648
  183   1HB   ASN  72          1HB       ASN  72  24.431   1.336   7.609
  184   2HB   ASN  72          2HB       ASN  72  23.761   0.116   6.522
  185   1HD2  ASN  72          1HD2      ASN  72  23.387  -2.127   7.670
  186   2HD2  ASN  72          2HD2      ASN  72  22.773  -2.062   9.251
  187    H    GLN  73           H        GLN  73  27.603  -1.950   7.925
  188    HA   GLN  73           HA       GLN  73  27.586  -1.015  10.759
  189   1HB   GLN  73          1HB       GLN  73  28.053  -3.755   9.559
  190   2HB   GLN  73          2HB       GLN  73  28.487  -3.349  11.214
  191   1HG   GLN  73          1HG       GLN  73  26.354  -3.558  11.904
  192   2HG   GLN  73          2HG       GLN  73  25.796  -2.458  10.644
  193   1HE2  GLN  73          1HE2      GLN  73  23.911  -4.081  10.568
  194   2HE2  GLN  73          2HE2      GLN  73  24.102  -5.461   9.584
  195    H    GLY  74           H        GLY  74  29.842  -3.197   9.176
  196   1HA   GLY  74          1HA       GLY  74  31.893  -1.141   8.830
  197   2HA   GLY  74          2HA       GLY  74  32.214  -2.260  10.163
  198    H    ASN  75           H        ASN  75  31.456  -4.668   9.286
  199    HA   ASN  75           HA       ASN  75  32.595  -5.084   6.598
  200   1HB   ASN  75          1HB       ASN  75  33.982  -6.852   7.434
  201   2HB   ASN  75          2HB       ASN  75  34.435  -5.352   8.224
  202   1HD2  ASN  75          1HD2      ASN  75  32.897  -5.041  10.346
  203   2HD2  ASN  75          2HD2      ASN  75  32.829  -6.413  11.353
  204    HA   PRO  76           HA       PRO  76  28.944  -7.743   7.426
  205   1HB   PRO  76          1HB       PRO  76  27.386  -6.622   5.469
  206   2HB   PRO  76          2HB       PRO  76  27.478  -5.956   7.112
  207   1HG   PRO  76          1HG       PRO  76  28.582  -4.838   4.605
  208   2HG   PRO  76          2HG       PRO  76  28.304  -4.033   6.155
  209   1HD   PRO  76          1HD       PRO  76  30.811  -5.085   5.103
  210   2HD   PRO  76          2HD       PRO  76  30.551  -4.203   6.624
  211    H    ILE  77           H        ILE  77  31.403  -7.638   5.527
  212    HA   ILE  77           HA       ILE  77  30.710  -8.424   2.955
  213    HB   ILE  77           HB       ILE  77  33.039  -9.844   4.155
  214   1HG1  ILE  77          1HG1      ILE  77  33.186  -7.754   5.391
  215   2HG1  ILE  77          2HG1      ILE  77  34.375  -7.717   4.092
  216   1HG2  ILE  77          1HG2      ILE  77  32.268  -8.471   1.626
  217   2HG2  ILE  77          2HG2      ILE  77  33.981  -8.492   2.048
  218   3HG2  ILE  77          3HG2      ILE  77  33.099 -10.009   1.865
  219   1HD1  ILE  77          1HD1      ILE  77  31.618  -6.467   3.909
  220   2HD1  ILE  77          2HD1      ILE  77  33.090  -5.582   4.301
  221   3HD1  ILE  77          3HD1      ILE  77  32.914  -6.341   2.720
  222    HA   PRO  78           HA       PRO  78  28.765 -12.300   4.146
  223   1HB   PRO  78          1HB       PRO  78  27.639 -12.770   1.675
  224   2HB   PRO  78          2HB       PRO  78  26.924 -11.746   2.935
  225   1HG   PRO  78          1HG       PRO  78  28.305 -10.938   0.418
  226   2HG   PRO  78          2HG       PRO  78  27.070 -10.078   1.349
  227   1HD   PRO  78          1HD       PRO  78  29.831  -9.496   1.385
  228   2HD   PRO  78          2HD       PRO  78  28.635  -8.933   2.569
  229    HA   PRO  79           HA       PRO  79  31.228 -14.761   0.831
  230   1HB   PRO  79          1HB       PRO  79  33.313 -13.445  -0.381
  231   2HB   PRO  79          2HB       PRO  79  31.683 -13.547  -1.072
  232   1HG   PRO  79          1HG       PRO  79  33.019 -11.234   0.257
  233   2HG   PRO  79          2HG       PRO  79  31.748 -11.240  -0.977
  234   1HD   PRO  79          1HD       PRO  79  31.355 -10.787   1.778
  235   2HD   PRO  79          2HD       PRO  79  30.094 -11.172   0.590
  236    H    HIS  80           H        HIS  80  33.740 -15.430   0.754
  237    HA   HIS  80           HA       HIS  80  34.763 -15.005   3.518
  238   1HB   HIS  80          1HB       HIS  80  35.277 -17.163   1.456
  239   2HB   HIS  80          2HB       HIS  80  36.169 -17.044   2.973
  240    HD1  HIS  80           HD1      HIS  80  35.193 -19.091   4.140
  241    HD2  HIS  80           HD2      HIS  80  32.256 -16.474   2.757
  242    HE1  HIS  80           HE1      HIS  80  33.001 -19.894   5.120
  Start of MODEL   11
    1    H    VAL  49           H        VAL  49  53.192  -3.241   6.260
    2    HA   VAL  49           HA       VAL  49  52.798  -3.999   3.404
    3    HB   VAL  49           HB       VAL  49  54.378  -5.528   5.478
    4   1HG1  VAL  49          1HG1      VAL  49  53.589  -5.964   2.645
    5   2HG1  VAL  49          2HG1      VAL  49  55.251  -6.372   3.069
    6   3HG1  VAL  49          3HG1      VAL  49  53.910  -7.143   3.918
    7   1HG2  VAL  49          1HG2      VAL  49  55.060  -3.293   3.659
    8   2HG2  VAL  49          2HG2      VAL  49  55.867  -3.833   5.132
    9   3HG2  VAL  49          3HG2      VAL  49  56.168  -4.665   3.606
   10    HA   PRO  50           HA       PRO  50  49.909  -6.600   6.193
   11   1HB   PRO  50          1HB       PRO  50  47.746  -4.925   6.631
   12   2HB   PRO  50          2HB       PRO  50  49.045  -5.216   7.800
   13   1HG   PRO  50          1HG       PRO  50  48.563  -2.803   6.134
   14   2HG   PRO  50          2HG       PRO  50  49.443  -2.959   7.652
   15   1HD   PRO  50          1HD       PRO  50  50.587  -2.731   5.076
   16   2HD   PRO  50          2HD       PRO  50  51.414  -3.180   6.582
   17    H    GLY  51           H        GLY  51  47.698  -7.416   5.316
   18   1HA   GLY  51          1HA       GLY  51  47.296  -6.412   2.524
   19   2HA   GLY  51          2HA       GLY  51  47.436  -8.136   2.851
   20    H    LEU  52           H        LEU  52  45.463  -8.819   2.244
   21    HA   LEU  52           HA       LEU  52  43.059  -8.442   1.869
   22   1HB   LEU  52          1HB       LEU  52  43.532 -10.592   2.877
   23   2HB   LEU  52          2HB       LEU  52  43.575  -9.857   4.487
   24    HG   LEU  52           HG       LEU  52  41.150  -9.433   2.787
   25   1HD1  LEU  52          1HD1      LEU  52  42.100 -12.032   3.757
   26   2HD1  LEU  52          2HD1      LEU  52  40.492 -11.618   4.354
   27   3HD1  LEU  52          3HD1      LEU  52  40.803 -11.668   2.619
   28   1HD2  LEU  52          1HD2      LEU  52  41.956  -9.230   5.595
   29   2HD2  LEU  52          2HD2      LEU  52  40.714  -8.345   4.708
   30   3HD2  LEU  52          3HD2      LEU  52  40.370  -9.952   5.353
   31    H    CYS  53           H        CYS  53  43.527  -8.111   5.276
   32    HA   CYS  53           HA       CYS  53  43.091  -5.729   6.166
   33   1HB   CYS  53          1HB       CYS  53  41.421  -5.213   4.474
   34   2HB   CYS  53          2HB       CYS  53  40.376  -6.500   5.072
   35    HA   PRO  54           HA       PRO  54  42.262  -8.408   9.617
   36   1HB   PRO  54          1HB       PRO  54  42.994  -6.574  11.529
   37   2HB   PRO  54          2HB       PRO  54  44.154  -7.538  10.597
   38   1HG   PRO  54          1HG       PRO  54  43.467  -4.649  10.327
   39   2HG   PRO  54          2HG       PRO  54  44.966  -5.494   9.896
   40   1HD   PRO  54          1HD       PRO  54  42.932  -4.683   8.093
   41   2HD   PRO  54          2HD       PRO  54  44.278  -5.786   7.732
   42    H    ARG  55           H        ARG  55  40.339  -6.121   8.450
   43    HA   ARG  55           HA       ARG  55  38.582  -6.030  10.865
   44   1HB   ARG  55          1HB       ARG  55  39.487  -3.923   9.087
   45   2HB   ARG  55          2HB       ARG  55  37.730  -4.064   9.025
   46   1HG   ARG  55          1HG       ARG  55  39.349  -3.857  11.583
   47   2HG   ARG  55          2HG       ARG  55  38.501  -2.510  10.821
   48   1HD   ARG  55          1HD       ARG  55  36.660  -3.124  11.963
   49   2HD   ARG  55          2HD       ARG  55  36.609  -4.577  10.965
   50    HE   ARG  55           HE       ARG  55  38.364  -4.705  13.333
   51   1HH1  ARG  55          1HH1      ARG  55  35.128  -4.954  12.251
   52   2HH1  ARG  55          2HH1      ARG  55  34.779  -6.386  13.163
   53   1HH2  ARG  55          1HH2      ARG  55  38.019  -6.747  14.340
   54   2HH2  ARG  55          2HH2      ARG  55  36.415  -7.398  14.345
   55    H    CYS  56           H        CYS  56  38.460  -5.834   7.284
   56    HA   CYS  56           HA       CYS  56  35.962  -7.452   7.407
   57   1HB   CYS  56          1HB       CYS  56  35.413  -6.601   5.215
   58   2HB   CYS  56          2HB       CYS  56  35.908  -5.215   6.179
   59    H    LYS  57           H        LYS  57  36.533  -8.055   4.477
   60    HA   LYS  57           HA       LYS  57  38.896  -9.605   4.396
   61   1HB   LYS  57          1HB       LYS  57  37.648 -11.815   4.072
   62   2HB   LYS  57          2HB       LYS  57  37.757 -11.223   5.732
   63   1HG   LYS  57          1HG       LYS  57  35.494 -10.078   5.292
   64   2HG   LYS  57          2HG       LYS  57  35.394 -11.092   3.853
   65   1HD   LYS  57          1HD       LYS  57  35.524 -11.970   6.743
   66   2HD   LYS  57          2HD       LYS  57  34.269 -12.321   5.553
   67   1HE   LYS  57          1HE       LYS  57  36.077 -13.540   4.215
   68   2HE   LYS  57          2HE       LYS  57  37.086 -13.414   5.657
   69   1HZ   LYS  57          1HZ       LYS  57  35.330 -14.537   6.911
   70   2HZ   LYS  57          2HZ       LYS  57  34.420 -14.711   5.487
   71   3HZ   LYS  57          3HZ       LYS  57  35.914 -15.502   5.644
   72    H    ARG  58           H        ARG  58  37.336  -7.586   2.906
   73    HA   ARG  58           HA       ARG  58  37.096  -9.099   0.341
   74   1HB   ARG  58          1HB       ARG  58  35.101  -7.652   1.694
   75   2HB   ARG  58          2HB       ARG  58  35.617  -6.606   0.369
   76   1HG   ARG  58          1HG       ARG  58  35.183  -9.502  -0.232
   77   2HG   ARG  58          2HG       ARG  58  33.757  -8.495   0.016
   78   1HD   ARG  58          1HD       ARG  58  35.888  -7.396  -1.752
   79   2HD   ARG  58          2HD       ARG  58  34.933  -8.736  -2.386
   80    HE   ARG  58           HE       ARG  58  33.193  -6.758  -1.241
   81   1HH1  ARG  58          1HH1      ARG  58  34.552  -8.033  -4.075
   82   2HH1  ARG  58          2HH1      ARG  58  33.995  -6.760  -5.106
   83   1HH2  ARG  58          1HH2      ARG  58  32.770  -4.825  -2.501
   84   2HH2  ARG  58          2HH2      ARG  58  32.986  -4.944  -4.216
   85    H    GLY  59           H        GLY  59  39.331  -7.401   1.720
   86   1HA   GLY  59          1HA       GLY  59  39.935  -5.930  -0.781
   87   2HA   GLY  59          2HA       GLY  59  39.796  -4.947   0.676
   88    H    LYS  60           H        LYS  60  41.842  -4.360   1.003
   89    HA   LYS  60           HA       LYS  60  43.767  -6.308   2.026
   90   1HB   LYS  60          1HB       LYS  60  43.864  -5.771  -0.722
   91   2HB   LYS  60          2HB       LYS  60  45.068  -4.677  -0.031
   92   1HG   LYS  60          1HG       LYS  60  46.258  -6.477   0.988
   93   2HG   LYS  60          2HG       LYS  60  44.941  -7.611   0.690
   94   1HD   LYS  60          1HD       LYS  60  46.903  -7.809  -0.908
   95   2HD   LYS  60          2HD       LYS  60  45.334  -7.573  -1.680
   96   1HE   LYS  60          1HE       LYS  60  45.779  -5.209  -1.990
   97   2HE   LYS  60          2HE       LYS  60  47.273  -5.326  -1.060
   98   1HZ   LYS  60          1HZ       LYS  60  48.072  -6.935  -2.743
   99   2HZ   LYS  60          2HZ       LYS  60  46.686  -6.617  -3.668
  100   3HZ   LYS  60          3HZ       LYS  60  47.811  -5.377  -3.369
  101    H    HIS  61           H        HIS  61  43.166  -4.784   3.831
  102    HA   HIS  61           HA       HIS  61  45.076  -2.584   3.942
  103   1HB   HIS  61          1HB       HIS  61  43.204  -0.898   4.303
  104   2HB   HIS  61          2HB       HIS  61  43.567  -1.356   2.630
  105    HD1  HIS  61           HD1      HIS  61  41.703  -2.492   1.302
  106    HD2  HIS  61           HD2      HIS  61  40.873  -2.375   5.390
  107    HE1  HIS  61           HE1      HIS  61  39.328  -3.364   1.586
  108    H    TRP  62           H        TRP  62  44.183  -0.988   5.807
  109    HA   TRP  62           HA       TRP  62  43.714  -2.819   8.095
  110   1HB   TRP  62          1HB       TRP  62  44.768  -0.242   8.846
  111   2HB   TRP  62          2HB       TRP  62  45.499  -1.832   8.990
  112    HD1  TRP  62           HD1      TRP  62  46.355   1.283   7.578
  113    HE1  TRP  62           HE1      TRP  62  47.902   1.083   5.522
  114    HE3  TRP  62           HE3      TRP  62  45.710  -3.649   6.482
  115    HZ2  TRP  62           HZ2      TRP  62  48.735  -0.927   3.637
  116    HZ3  TRP  62           HZ3      TRP  62  46.826  -4.662   4.538
  117    HH2  TRP  62           HH2      TRP  62  48.360  -3.327   3.125
  118    H    ALA  63           H        ALA  63  42.631  -1.796  10.003
  119    HA   ALA  63           HA       ALA  63  40.043  -0.865   9.390
  120   1HB   ALA  63          1HB       ALA  63  40.799  -1.852  11.583
  121   2HB   ALA  63          2HB       ALA  63  41.547  -0.299  11.960
  122   3HB   ALA  63          3HB       ALA  63  39.798  -0.410  11.752
  123    H    ASN  64           H        ASN  64  42.724   1.098  10.766
  124    HA   ASN  64           HA       ASN  64  41.582   3.609  10.733
  125   1HB   ASN  64          1HB       ASN  64  44.354   2.655  10.101
  126   2HB   ASN  64          2HB       ASN  64  43.961   4.357   9.835
  127   1HD2  ASN  64          1HD2      ASN  64  45.780   3.347  11.917
  128   2HD2  ASN  64          2HD2      ASN  64  45.101   3.782  13.411
  129    H    GLU  65           H        GLU  65  42.472   1.658   7.988
  130    HA   GLU  65           HA       GLU  65  41.170   3.654   6.209
  131   1HB   GLU  65          1HB       GLU  65  43.584   3.993   5.940
  132   2HB   GLU  65          2HB       GLU  65  43.816   2.262   5.681
  133   1HG   GLU  65          1HG       GLU  65  42.802   2.306   3.577
  134   2HG   GLU  65          2HG       GLU  65  41.912   3.787   3.927
  135    H    CYS  66           H        CYS  66  39.641   1.683   6.974
  136    HA   CYS  66           HA       CYS  66  39.915  -0.439   4.891
  137   1HB   CYS  66          1HB       CYS  66  40.127  -1.603   6.927
  138   2HB   CYS  66          2HB       CYS  66  38.965  -0.561   7.747
  139    H    LYS  67           H        LYS  67  38.245  -0.685   3.512
  140    HA   LYS  67           HA       LYS  67  35.610   0.475   4.222
  141   1HB   LYS  67          1HB       LYS  67  37.315   1.803   2.488
  142   2HB   LYS  67          2HB       LYS  67  36.324   0.839   1.391
  143   1HG   LYS  67          1HG       LYS  67  34.906   2.264   3.590
  144   2HG   LYS  67          2HG       LYS  67  35.536   3.252   2.273
  145   1HD   LYS  67          1HD       LYS  67  34.422   1.335   0.789
  146   2HD   LYS  67          2HD       LYS  67  33.411   1.151   2.222
  147   1HE   LYS  67          1HE       LYS  67  32.179   2.858   1.395
  148   2HE   LYS  67          2HE       LYS  67  33.518   3.904   1.870
  149   1HZ   LYS  67          1HZ       LYS  67  33.888   2.530  -0.645
  150   2HZ   LYS  67          2HZ       LYS  67  32.605   3.644  -0.640
  151   3HZ   LYS  67          3HZ       LYS  67  34.171   4.156  -0.242
  152    H    SER  68           H        SER  68  33.870  -0.598   3.219
  153    HA   SER  68           HA       SER  68  34.305  -2.708   1.291
  154   1HB   SER  68          1HB       SER  68  34.934  -3.219   3.999
  155   2HB   SER  68          2HB       SER  68  33.424  -4.083   3.665
  156    HG   SER  68           HG       SER  68  35.559  -5.127   3.131
  157    H    LYS  69           H        LYS  69  32.467  -1.163   0.663
  158    HA   LYS  69           HA       LYS  69  29.998  -1.149   2.089
  159   1HB   LYS  69          1HB       LYS  69  30.983  -0.108  -0.364
  160   2HB   LYS  69          2HB       LYS  69  29.525  -1.025  -0.745
  161   1HG   LYS  69          1HG       LYS  69  28.697   0.271   1.492
  162   2HG   LYS  69          2HG       LYS  69  29.834   1.457   0.849
  163   1HD   LYS  69          1HD       LYS  69  28.562   1.869  -1.016
  164   2HD   LYS  69          2HD       LYS  69  27.964   0.212  -1.102
  165   1HE   LYS  69          1HE       LYS  69  26.031   1.073  -0.280
  166   2HE   LYS  69          2HE       LYS  69  26.875   1.083   1.268
  167   1HZ   LYS  69          1HZ       LYS  69  26.835   3.326  -0.677
  168   2HZ   LYS  69          2HZ       LYS  69  25.908   3.244   0.745
  169   3HZ   LYS  69          3HZ       LYS  69  27.603   3.334   0.834
  170    H    THR  70           H        THR  70  29.341  -3.188   2.736
  171    HA   THR  70           HA       THR  70  28.732  -5.124   0.541
  172    HB   THR  70           HB       THR  70  30.192  -5.466   3.030
  173    HG1  THR  70           HG1      THR  70  30.717  -6.264   0.943
  174   1HG2  THR  70          1HG2      THR  70  27.988  -6.157   3.947
  175   2HG2  THR  70          2HG2      THR  70  27.841  -7.340   2.652
  176   3HG2  THR  70          3HG2      THR  70  29.122  -7.499   3.849
  177    H    ASP  71           H        ASP  71  27.705  -3.723   3.621
  178    HA   ASP  71           HA       ASP  71  24.884  -4.274   2.803
  179   1HB   ASP  71          1HB       ASP  71  26.189  -4.828   5.462
  180   2HB   ASP  71          2HB       ASP  71  24.461  -4.499   5.361
  181    H    ASN  72           H        ASN  72  25.815  -2.837   5.856
  182    HA   ASN  72           HA       ASN  72  25.512  -0.088   4.817
  183   1HB   ASN  72          1HB       ASN  72  23.693   0.433   6.418
  184   2HB   ASN  72          2HB       ASN  72  23.188  -0.799   5.254
  185   1HD2  ASN  72          1HD2      ASN  72  23.457  -0.117   8.601
  186   2HD2  ASN  72          2HD2      ASN  72  23.202  -1.693   9.179
  187    H    GLN  73           H        GLN  73  27.830  -1.044   5.791
  188    HA   GLN  73           HA       GLN  73  28.194   0.494   8.256
  189   1HB   GLN  73          1HB       GLN  73  27.411  -2.060   8.664
  190   2HB   GLN  73          2HB       GLN  73  29.149  -2.314   8.513
  191   1HG   GLN  73          1HG       GLN  73  29.597  -0.719  10.281
  192   2HG   GLN  73          2HG       GLN  73  27.896  -0.257  10.351
  193   1HE2  GLN  73          1HE2      GLN  73  26.360  -2.241  10.787
  194   2HE2  GLN  73          2HE2      GLN  73  26.909  -3.364  11.948
  195    H    GLY  74           H        GLY  74  30.667  -1.387   8.669
  196   1HA   GLY  74          1HA       GLY  74  32.284  -0.227   6.437
  197   2HA   GLY  74          2HA       GLY  74  32.896  -0.400   8.089
  198    H    ASN  75           H        ASN  75  31.763  -2.988   8.596
  199    HA   ASN  75           HA       ASN  75  33.038  -4.711   6.544
  200   1HB   ASN  75          1HB       ASN  75  33.752  -6.066   8.653
  201   2HB   ASN  75          2HB       ASN  75  34.790  -4.793   8.027
  202   1HD2  ASN  75          1HD2      ASN  75  31.748  -4.341   9.845
  203   2HD2  ASN  75          2HD2      ASN  75  32.469  -3.555  11.175
  204    HA   PRO  76           HA       PRO  76  29.006  -6.421   8.040
  205   1HB   PRO  76          1HB       PRO  76  27.628  -5.917   5.737
  206   2HB   PRO  76          2HB       PRO  76  27.767  -4.715   7.034
  207   1HG   PRO  76          1HG       PRO  76  29.050  -4.712   4.364
  208   2HG   PRO  76          2HG       PRO  76  28.822  -3.368   5.491
  209   1HD   PRO  76          1HD       PRO  76  31.222  -4.959   5.061
  210   2HD   PRO  76          2HD       PRO  76  31.014  -3.576   6.152
  211    H    ILE  77           H        ILE  77  31.488  -7.297   6.424
  212    HA   ILE  77           HA       ILE  77  30.699  -8.798   4.211
  213    HB   ILE  77           HB       ILE  77  32.861  -9.911   5.942
  214   1HG1  ILE  77          1HG1      ILE  77  33.307  -7.593   6.296
  215   2HG1  ILE  77          2HG1      ILE  77  34.363  -8.077   4.969
  216   1HG2  ILE  77          1HG2      ILE  77  32.246  -9.530   3.037
  217   2HG2  ILE  77          2HG2      ILE  77  33.934  -9.653   3.533
  218   3HG2  ILE  77          3HG2      ILE  77  32.814 -10.970   3.882
  219   1HD1  ILE  77          1HD1      ILE  77  31.663  -7.026   4.231
  220   2HD1  ILE  77          2HD1      ILE  77  32.833  -5.869   4.856
  221   3HD1  ILE  77          3HD1      ILE  77  33.211  -6.817   3.421
  222    HA   PRO  78           HA       PRO  78  28.337 -11.894   6.425
  223   1HB   PRO  78          1HB       PRO  78  27.328 -13.088   4.165
  224   2HB   PRO  78          2HB       PRO  78  26.674 -11.593   4.863
  225   1HG   PRO  78          1HG       PRO  78  28.349 -11.950   2.421
  226   2HG   PRO  78          2HG       PRO  78  27.188 -10.669   2.808
  227   1HD   PRO  78          1HD       PRO  78  30.007 -10.466   2.989
  228   2HD   PRO  78          2HD       PRO  78  28.829  -9.326   3.673
  229    HA   PRO  79           HA       PRO  79  31.417 -15.130   5.935
  230   1HB   PRO  79          1HB       PRO  79  30.594 -16.577   8.123
  231   2HB   PRO  79          2HB       PRO  79  31.625 -15.137   8.232
  232   1HG   PRO  79          1HG       PRO  79  28.730 -15.428   8.892
  233   2HG   PRO  79          2HG       PRO  79  29.919 -14.285   9.539
  234   1HD   PRO  79          1HD       PRO  79  27.960 -13.709   7.579
  235   2HD   PRO  79          2HD       PRO  79  29.355 -12.691   7.992
  236    H    HIS  80           H        HIS  80  28.832 -16.906   7.497
  237    HA   HIS  80           HA       HIS  80  27.586 -18.757   6.761
  238   1HB   HIS  80          1HB       HIS  80  27.323 -16.647   4.744
  239   2HB   HIS  80          2HB       HIS  80  27.065 -18.262   4.084
  240    HD1  HIS  80           HD1      HIS  80  24.539 -16.903   4.036
  241    HD2  HIS  80           HD2      HIS  80  25.900 -18.537   7.620
  242    HE1  HIS  80           HE1      HIS  80  22.501 -17.191   5.510
  Start of MODEL   12
    1    H    VAL  49           H        VAL  49  51.052  -2.983   4.111
    2    HA   VAL  49           HA       VAL  49  53.374  -4.760   3.869
    3    HB   VAL  49           HB       VAL  49  52.701  -3.042   6.191
    4   1HG1  VAL  49          1HG1      VAL  49  54.118  -5.726   6.307
    5   2HG1  VAL  49          2HG1      VAL  49  54.160  -4.527   7.598
    6   3HG1  VAL  49          3HG1      VAL  49  52.634  -5.296   7.156
    7   1HG2  VAL  49          1HG2      VAL  49  55.272  -3.956   4.887
    8   2HG2  VAL  49          2HG2      VAL  49  54.470  -2.408   4.619
    9   3HG2  VAL  49          3HG2      VAL  49  55.149  -2.785   6.201
   10    HA   PRO  50           HA       PRO  50  50.152  -7.205   6.379
   11   1HB   PRO  50          1HB       PRO  50  47.898  -5.784   7.164
   12   2HB   PRO  50          2HB       PRO  50  49.325  -6.073   8.175
   13   1HG   PRO  50          1HG       PRO  50  48.532  -3.569   6.752
   14   2HG   PRO  50          2HG       PRO  50  49.487  -3.771   8.221
   15   1HD   PRO  50          1HD       PRO  50  50.550  -3.201   5.702
   16   2HD   PRO  50          2HD       PRO  50  51.451  -3.888   7.059
   17    H    GLY  51           H        GLY  51  47.755  -7.997   5.795
   18   1HA   GLY  51          1HA       GLY  51  47.341  -7.195   2.939
   19   2HA   GLY  51          2HA       GLY  51  47.244  -8.865   3.479
   20    H    LEU  52           H        LEU  52  45.234  -9.123   2.644
   21    HA   LEU  52           HA       LEU  52  42.947  -8.482   2.204
   22   1HB   LEU  52          1HB       LEU  52  42.995 -10.630   3.269
   23   2HB   LEU  52          2HB       LEU  52  43.216  -9.893   4.859
   24    HG   LEU  52           HG       LEU  52  40.810 -10.682   4.039
   25   1HD1  LEU  52          1HD1      LEU  52  41.689  -9.260   6.107
   26   2HD1  LEU  52          2HD1      LEU  52  40.713  -8.032   5.304
   27   3HD1  LEU  52          3HD1      LEU  52  39.976  -9.554   5.801
   28   1HD2  LEU  52          1HD2      LEU  52  41.249  -8.808   2.113
   29   2HD2  LEU  52          2HD2      LEU  52  39.667  -9.325   2.648
   30   3HD2  LEU  52          3HD2      LEU  52  40.383  -7.866   3.324
   31    H    CYS  53           H        CYS  53  43.211  -8.142   5.598
   32    HA   CYS  53           HA       CYS  53  43.103  -5.603   6.301
   33   1HB   CYS  53          1HB       CYS  53  41.468  -5.069   4.592
   34   2HB   CYS  53          2HB       CYS  53  40.329  -6.229   5.257
   35    HA   PRO  54           HA       PRO  54  42.127  -7.792  10.020
   36   1HB   PRO  54          1HB       PRO  54  42.747  -5.731  11.729
   37   2HB   PRO  54          2HB       PRO  54  43.964  -6.759  10.950
   38   1HG   PRO  54          1HG       PRO  54  43.217  -3.941  10.334
   39   2HG   PRO  54          2HG       PRO  54  44.744  -4.790  10.033
   40   1HD   PRO  54          1HD       PRO  54  42.725  -4.241   8.112
   41   2HD   PRO  54          2HD       PRO  54  44.119  -5.321   7.896
   42    H    ARG  55           H        ARG  55  40.233  -5.652   8.543
   43    HA   ARG  55           HA       ARG  55  38.341  -5.415  10.837
   44   1HB   ARG  55          1HB       ARG  55  39.453  -3.285   9.583
   45   2HB   ARG  55          2HB       ARG  55  38.063  -3.556   8.531
   46   1HG   ARG  55          1HG       ARG  55  37.110  -2.170  10.131
   47   2HG   ARG  55          2HG       ARG  55  36.769  -3.752  10.834
   48   1HD   ARG  55          1HD       ARG  55  39.418  -2.702  11.549
   49   2HD   ARG  55          2HD       ARG  55  38.086  -1.703  12.129
   50    HE   ARG  55           HE       ARG  55  38.458  -4.588  12.814
   51   1HH1  ARG  55          1HH1      ARG  55  38.454  -1.662  14.264
   52   2HH1  ARG  55          2HH1      ARG  55  37.152  -1.963  15.365
   53   1HH2  ARG  55          1HH2      ARG  55  36.180  -4.912  13.824
   54   2HH2  ARG  55          2HH2      ARG  55  35.863  -3.803  15.114
   55    H    CYS  56           H        CYS  56  38.485  -5.456   7.248
   56    HA   CYS  56           HA       CYS  56  35.915  -6.961   7.311
   57   1HB   CYS  56          1HB       CYS  56  35.463  -6.127   5.093
   58   2HB   CYS  56          2HB       CYS  56  35.977  -4.748   6.059
   59    H    LYS  57           H        LYS  57  36.515  -7.637   4.431
   60    HA   LYS  57           HA       LYS  57  38.784  -9.321   4.378
   61   1HB   LYS  57          1HB       LYS  57  37.391 -11.445   4.066
   62   2HB   LYS  57          2HB       LYS  57  37.494 -10.833   5.721
   63   1HG   LYS  57          1HG       LYS  57  35.325  -9.455   4.812
   64   2HG   LYS  57          2HG       LYS  57  35.163 -10.954   3.898
   65   1HD   LYS  57          1HD       LYS  57  35.890 -11.539   6.632
   66   2HD   LYS  57          2HD       LYS  57  34.451 -10.520   6.595
   67   1HE   LYS  57          1HE       LYS  57  34.027 -12.376   4.549
   68   2HE   LYS  57          2HE       LYS  57  34.741 -13.324   5.855
   69   1HZ   LYS  57          1HZ       LYS  57  32.515 -11.424   6.302
   70   2HZ   LYS  57          2HZ       LYS  57  32.251 -13.051   5.903
   71   3HZ   LYS  57          3HZ       LYS  57  33.071 -12.652   7.338
   72    H    ARG  58           H        ARG  58  37.398  -7.192   2.866
   73    HA   ARG  58           HA       ARG  58  37.092  -8.659   0.277
   74   1HB   ARG  58          1HB       ARG  58  35.132  -7.135   1.605
   75   2HB   ARG  58          2HB       ARG  58  35.729  -6.101   0.305
   76   1HG   ARG  58          1HG       ARG  58  35.521  -8.564  -0.931
   77   2HG   ARG  58          2HG       ARG  58  34.131  -8.560   0.154
   78   1HD   ARG  58          1HD       ARG  58  33.074  -6.909  -0.999
   79   2HD   ARG  58          2HD       ARG  58  34.571  -6.026  -1.298
   80    HE   ARG  58           HE       ARG  58  34.838  -8.210  -2.936
   81   1HH1  ARG  58          1HH1      ARG  58  31.748  -7.149  -2.306
   82   2HH1  ARG  58          2HH1      ARG  58  31.371  -6.682  -3.930
   83   1HH2  ARG  58          1HH2      ARG  58  34.620  -7.075  -5.078
   84   2HH2  ARG  58          2HH2      ARG  58  32.998  -6.640  -5.501
   85    H    GLY  59           H        GLY  59  39.517  -7.486   1.382
   86   1HA   GLY  59          1HA       GLY  59  40.295  -5.880  -0.892
   87   2HA   GLY  59          2HA       GLY  59  40.107  -4.889   0.554
   88    H    LYS  60           H        LYS  60  42.185  -4.433   0.996
   89    HA   LYS  60           HA       LYS  60  43.889  -6.484   2.215
   90   1HB   LYS  60          1HB       LYS  60  44.207  -6.228  -0.502
   91   2HB   LYS  60          2HB       LYS  60  45.301  -4.967   0.071
   92   1HG   LYS  60          1HG       LYS  60  46.834  -6.544   0.532
   93   2HG   LYS  60          2HG       LYS  60  45.730  -7.241   1.712
   94   1HD   LYS  60          1HD       LYS  60  46.182  -9.016   0.204
   95   2HD   LYS  60          2HD       LYS  60  44.599  -8.408  -0.283
   96   1HE   LYS  60          1HE       LYS  60  46.053  -6.824  -1.836
   97   2HE   LYS  60          2HE       LYS  60  47.247  -8.109  -1.650
   98   1HZ   LYS  60          1HZ       LYS  60  44.441  -8.638  -2.437
   99   2HZ   LYS  60          2HZ       LYS  60  45.668  -8.339  -3.574
  100   3HZ   LYS  60          3HZ       LYS  60  45.774  -9.686  -2.548
  101    H    HIS  61           H        HIS  61  43.368  -4.843   3.958
  102    HA   HIS  61           HA       HIS  61  45.407  -2.781   4.087
  103   1HB   HIS  61          1HB       HIS  61  43.691  -0.927   4.216
  104   2HB   HIS  61          2HB       HIS  61  44.078  -1.524   2.589
  105    HD1  HIS  61           HD1      HIS  61  42.170  -2.579   1.251
  106    HD2  HIS  61           HD2      HIS  61  41.203  -2.149   5.283
  107    HE1  HIS  61           HE1      HIS  61  39.730  -3.259   1.483
  108    H    TRP  62           H        TRP  62  44.598  -1.044   5.794
  109    HA   TRP  62           HA       TRP  62  43.754  -2.684   8.114
  110   1HB   TRP  62          1HB       TRP  62  44.987  -0.166   8.807
  111   2HB   TRP  62          2HB       TRP  62  45.526  -1.806   9.126
  112    HD1  TRP  62           HD1      TRP  62  46.877   1.073   7.644
  113    HE1  TRP  62           HE1      TRP  62  48.565   0.575   5.760
  114    HE3  TRP  62           HE3      TRP  62  45.705  -3.790   6.702
  115    HZ2  TRP  62           HZ2      TRP  62  49.303  -1.623   4.048
  116    HZ3  TRP  62           HZ3      TRP  62  46.851  -5.035   4.917
  117    HH2  TRP  62           HH2      TRP  62  48.660  -3.972   3.601
  118    H    ALA  63           H        ALA  63  42.526  -1.616   9.818
  119    HA   ALA  63           HA       ALA  63  40.091  -0.573   9.139
  120   1HB   ALA  63          1HB       ALA  63  41.794   0.061  11.554
  121   2HB   ALA  63          2HB       ALA  63  40.123   0.602  11.405
  122   3HB   ALA  63          3HB       ALA  63  40.494  -1.122  11.428
  123    H    ASN  64           H        ASN  64  42.718   1.609  10.251
  124    HA   ASN  64           HA       ASN  64  41.608   4.057   9.669
  125   1HB   ASN  64          1HB       ASN  64  44.441   3.153   9.070
  126   2HB   ASN  64          2HB       ASN  64  43.918   4.842   9.059
  127   1HD2  ASN  64          1HD2      ASN  64  42.536   5.346  11.239
  128   2HD2  ASN  64          2HD2      ASN  64  43.287   4.816  12.666
  129    H    GLU  65           H        GLU  65  43.392   2.078   7.287
  130    HA   GLU  65           HA       GLU  65  42.078   3.659   5.128
  131   1HB   GLU  65          1HB       GLU  65  44.468   3.587   4.855
  132   2HB   GLU  65          2HB       GLU  65  44.512   1.846   5.155
  133   1HG   GLU  65          1HG       GLU  65  43.724   1.326   3.046
  134   2HG   GLU  65          2HG       GLU  65  42.815   2.830   2.897
  135    H    CYS  66           H        CYS  66  40.229   2.129   6.214
  136    HA   CYS  66           HA       CYS  66  40.070  -0.258   4.426
  137   1HB   CYS  66          1HB       CYS  66  40.405  -1.166   6.613
  138   2HB   CYS  66          2HB       CYS  66  39.289  -0.010   7.338
  139    H    LYS  67           H        LYS  67  38.017  -0.777   3.662
  140    HA   LYS  67           HA       LYS  67  35.677   0.804   4.368
  141   1HB   LYS  67          1HB       LYS  67  35.308   1.566   1.980
  142   2HB   LYS  67          2HB       LYS  67  36.638   2.386   2.794
  143   1HG   LYS  67          1HG       LYS  67  38.228   0.780   1.741
  144   2HG   LYS  67          2HG       LYS  67  36.878   0.064   0.859
  145   1HD   LYS  67          1HD       LYS  67  36.431   2.578   0.148
  146   2HD   LYS  67          2HD       LYS  67  38.145   2.759   0.520
  147   1HE   LYS  67          1HE       LYS  67  38.754   1.679  -1.364
  148   2HE   LYS  67          2HE       LYS  67  37.640   0.351  -1.039
  149   1HZ   LYS  67          1HZ       LYS  67  35.894   2.168  -1.735
  150   2HZ   LYS  67          2HZ       LYS  67  37.221   2.793  -2.590
  151   3HZ   LYS  67          3HZ       LYS  67  36.686   1.214  -2.895
  152    H    SER  68           H        SER  68  33.807  -0.288   3.775
  153    HA   SER  68           HA       SER  68  34.077  -2.676   2.064
  154   1HB   SER  68          1HB       SER  68  34.204  -2.612   4.967
  155   2HB   SER  68          2HB       SER  68  32.912  -3.685   4.400
  156    HG   SER  68           HG       SER  68  34.396  -4.868   3.296
  157    H    LYS  69           H        LYS  69  32.493  -0.955   1.067
  158    HA   LYS  69           HA       LYS  69  29.883  -0.651   2.258
  159   1HB   LYS  69          1HB       LYS  69  31.143  -0.034  -0.355
  160   2HB   LYS  69          2HB       LYS  69  29.402  -0.313  -0.401
  161   1HG   LYS  69          1HG       LYS  69  29.461   1.961   0.079
  162   2HG   LYS  69          2HG       LYS  69  29.401   1.281   1.706
  163   1HD   LYS  69          1HD       LYS  69  31.816   1.475   1.929
  164   2HD   LYS  69          2HD       LYS  69  31.961   2.014   0.256
  165   1HE   LYS  69          1HE       LYS  69  30.246   3.505   2.243
  166   2HE   LYS  69          2HE       LYS  69  31.970   3.836   2.085
  167   1HZ   LYS  69          1HZ       LYS  69  31.235   3.871  -0.464
  168   2HZ   LYS  69          2HZ       LYS  69  29.792   4.411   0.251
  169   3HZ   LYS  69          3HZ       LYS  69  31.242   5.255   0.516
  170    H    THR  70           H        THR  70  29.255  -2.775   2.860
  171    HA   THR  70           HA       THR  70  28.577  -4.561   0.561
  172    HB   THR  70           HB       THR  70  29.831  -5.079   3.204
  173    HG1  THR  70           HG1      THR  70  30.436  -5.453   0.784
  174   1HG2  THR  70          1HG2      THR  70  27.755  -6.964   2.046
  175   2HG2  THR  70          2HG2      THR  70  28.915  -7.390   3.298
  176   3HG2  THR  70          3HG2      THR  70  27.685  -6.172   3.619
  177    H    ASP  71           H        ASP  71  27.592  -3.649   3.875
  178    HA   ASP  71           HA       ASP  71  24.759  -3.961   2.950
  179   1HB   ASP  71          1HB       ASP  71  26.123  -5.237   5.203
  180   2HB   ASP  71          2HB       ASP  71  24.656  -4.390   5.686
  181    H    ASN  72           H        ASN  72  25.700  -2.954   6.181
  182    HA   ASN  72           HA       ASN  72  25.207  -0.113   5.455
  183   1HB   ASN  72          1HB       ASN  72  23.625   0.171   7.289
  184   2HB   ASN  72          2HB       ASN  72  23.047  -1.123   6.231
  185   1HD2  ASN  72          1HD2      ASN  72  23.330  -0.416   9.441
  186   2HD2  ASN  72          2HD2      ASN  72  23.543  -1.978  10.069
  187    H    GLN  73           H        GLN  73  27.431  -2.019   6.478
  188    HA   GLN  73           HA       GLN  73  28.391  -0.142   8.577
  189   1HB   GLN  73          1HB       GLN  73  27.405  -2.504   9.363
  190   2HB   GLN  73          2HB       GLN  73  29.024  -3.045   8.906
  191   1HG   GLN  73          1HG       GLN  73  29.850  -2.209  10.819
  192   2HG   GLN  73          2HG       GLN  73  29.287  -0.601  10.363
  193   1HE2  GLN  73          1HE2      GLN  73  27.229   0.136  11.227
  194   2HE2  GLN  73          2HE2      GLN  73  26.440  -0.698  12.489
  195    H    GLY  74           H        GLY  74  30.710  -2.160   8.860
  196   1HA   GLY  74          1HA       GLY  74  32.022  -1.546   6.244
  197   2HA   GLY  74          2HA       GLY  74  32.860  -1.300   7.780
  198    H    ASN  75           H        ASN  75  31.111  -3.928   8.458
  199    HA   ASN  75           HA       ASN  75  33.103  -5.804   7.256
  200   1HB   ASN  75          1HB       ASN  75  32.010  -5.975  10.031
  201   2HB   ASN  75          2HB       ASN  75  33.394  -6.850   9.373
  202   1HD2  ASN  75          1HD2      ASN  75  32.281  -3.493  10.001
  203   2HD2  ASN  75          2HD2      ASN  75  33.832  -2.876  10.356
  204    HA   PRO  76           HA       PRO  76  28.776  -7.782   7.473
  205   1HB   PRO  76          1HB       PRO  76  27.390  -6.725   5.367
  206   2HB   PRO  76          2HB       PRO  76  27.306  -6.033   6.999
  207   1HG   PRO  76          1HG       PRO  76  28.668  -4.962   4.594
  208   2HG   PRO  76          2HG       PRO  76  28.137  -4.109   6.049
  209   1HD   PRO  76          1HD       PRO  76  30.817  -4.976   5.416
  210   2HD   PRO  76          2HD       PRO  76  30.239  -4.202   6.901
  211    H    ILE  77           H        ILE  77  31.377  -7.518   5.729
  212    HA   ILE  77           HA       ILE  77  31.095  -8.275   3.152
  213    HB   ILE  77           HB       ILE  77  33.102  -9.777   4.802
  214   1HG1  ILE  77          1HG1      ILE  77  33.205  -7.627   5.856
  215   2HG1  ILE  77          2HG1      ILE  77  34.504  -7.638   4.659
  216   1HG2  ILE  77          1HG2      ILE  77  33.125  -8.353   2.126
  217   2HG2  ILE  77          2HG2      ILE  77  34.543  -9.104   2.859
  218   3HG2  ILE  77          3HG2      ILE  77  33.158 -10.096   2.399
  219   1HD1  ILE  77          1HD1      ILE  77  31.753  -6.513   4.065
  220   2HD1  ILE  77          2HD1      ILE  77  33.063  -5.529   4.712
  221   3HD1  ILE  77          3HD1      ILE  77  33.232  -6.297   3.134
  222    HA   PRO  78           HA       PRO  78  29.063 -12.214   3.272
  223   1HB   PRO  78          1HB       PRO  78  29.326 -12.754   0.586
  224   2HB   PRO  78          2HB       PRO  78  28.132 -11.620   1.246
  225   1HG   PRO  78          1HG       PRO  78  30.648 -11.046  -0.237
  226   2HG   PRO  78          2HG       PRO  78  29.192 -10.052  -0.069
  227   1HD   PRO  78          1HD       PRO  78  31.638  -9.715   1.345
  228   2HD   PRO  78          2HD       PRO  78  30.102  -8.885   1.674
  229    HA   PRO  79           HA       PRO  79  32.182 -15.339   3.154
  230   1HB   PRO  79          1HB       PRO  79  30.860 -17.479   2.041
  231   2HB   PRO  79          2HB       PRO  79  30.567 -16.895   3.691
  232   1HG   PRO  79          1HG       PRO  79  28.874 -16.570   1.257
  233   2HG   PRO  79          2HG       PRO  79  28.396 -16.591   2.963
  234   1HD   PRO  79          1HD       PRO  79  28.673 -14.284   1.351
  235   2HD   PRO  79          2HD       PRO  79  28.530 -14.308   3.121
  236    H    HIS  80           H        HIS  80  31.179 -13.910   0.337
  237    HA   HIS  80           HA       HIS  80  32.540 -15.699  -1.552
  238   1HB   HIS  80          1HB       HIS  80  30.645 -14.493  -2.421
  239   2HB   HIS  80          2HB       HIS  80  31.290 -12.954  -1.846
  240    HD1  HIS  80           HD1      HIS  80  33.777 -15.250  -3.313
  241    HD2  HIS  80           HD2      HIS  80  31.349 -12.144  -4.666
  242    HE1  HIS  80           HE1      HIS  80  34.689 -14.561  -5.572