*HEADER    TOXIN                                   16-APR-02   1LGL              
*TITLE     SOLUTION STRUCTURE OF HERG-SPECIFIC SCORPION TOXIN BEKM-1             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BEKM-1 TOXIN;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BUTHUS EUPEUS;                                  
*SOURCE   3 ORGANISM_COMMON: LESSER ASIAN SCORPION;                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: HB101;                                     
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PEZZ18                                    
*KEYWDS    ALPHA-BETA MOTIF, CYSTEINE-KNOT MOTIF                                 
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    Y.V.KOROLOKOVA, E.V.BOCHAROV, K.ANGELO, I.V.MASLENNIKOV,              
*AUTHOR   2 O.V.GRINENKO, A.V.LIPKIN, E.D.NOSIREVA, K.A.PLUZHNIKOV, S.-          
*AUTHOR   3 P.OLESEN, A.S.ARSENIEV, E.V.GRISHIN                                  
*REVDAT   1   20-NOV-02 1LGL    0                                                

# NMR CONSTRAINTS FOR BeKm STRUCTURE CALCULATION
# DISTANCE CONSTRAINTS (A)
# NOE
# 326 upper NOE constraints:
# 102 intra, 104 short, 56 medium, 64 long
  1 ARG  HA      2 PRO  HD2     3.08                
  1 ARG  HA      2 PRO  HD3     2.62                
  1 ARG  QB      2 PRO  HD2     4.14                
  1 ARG  QB      2 PRO  HD3     5.01                
  2 PRO  HA      3 THR  HN      2.59                
  2 PRO  HA     34 ASP  HA      2.80                
  2 PRO  HA     35 CYS  HN      4.07                
  2 PRO  HB2     3 THR  HN      3.48                
  2 PRO  HB2     3 THR  QG2     6.53                
  2 PRO  HB3     3 THR  HN      3.76                
  3 THR  HN      3 THR  QG2     4.48                
  3 THR  HN      4 ASP  HN      4.17                
  3 THR  HN     34 ASP  HA      3.55                
  3 THR  HA      4 ASP  HN      3.21                
  3 THR  HB      4 ASP  HN      2.46                
  3 THR  HB      5 ILE  HN      3.05                
  3 THR  HB      5 ILE  QG1     5.85                
  3 THR  HB      5 ILE  QD1     6.43                
  3 THR  HB     21 PHE  HZ      5.47                
  3 THR  QG2     4 ASP  HN      5.60                
  3 THR  QG2     5 ILE  HN      6.53                
  3 THR  QG2    21 PHE  QD      8.65                
  3 THR  QG2    21 PHE  HZ      5.91                
  3 THR  QG2    34 ASP  HA      5.72                
  3 THR  QG2    35 CYS  HN      5.26                
  3 THR  QG2    35 CYS  HB2     5.60                
  4 ASP  HN      4 ASP  HB2     3.76                
  4 ASP  HN      4 ASP  HB3     3.21                
  4 ASP  HN      5 ILE  HN      3.08                
  4 ASP  HN      5 ILE  QD1     6.53                
  5 ILE  HN      5 ILE  HB      2.68                
  5 ILE  HN      5 ILE  HG12    3.61                
  5 ILE  HN      5 ILE  HG13    3.61                
  5 ILE  HN      5 ILE  QG1     3.33                
  5 ILE  HN      5 ILE  QD1     6.53                
  5 ILE  HN     32 PHE  QD      6.82                
  5 ILE  HN     33 CYS  HN      4.04                
  5 ILE  HN     33 CYS  HB2     5.50                
  5 ILE  HA      5 ILE  HG12    4.11                
  5 ILE  HA      5 ILE  HG13    4.11                
  5 ILE  HA      5 ILE  QG1     3.71                
  5 ILE  HA      6 LYS  HN      2.40                
  5 ILE  HB     33 CYS  HN      4.04                
  5 ILE  HB     33 CYS  HB2     2.93                
  5 ILE  HB     33 CYS  HB3     4.91                
  5 ILE  QG2     6 LYS  HN      4.30                
  5 ILE  QG2     7 CYS  HA      6.53                
  5 ILE  QG2    33 CYS  HN      6.53                
  5 ILE  QG2    33 CYS  HB2     4.67                
  5 ILE  QG1     6 LYS  HN      5.14                
  5 ILE  QG1    16 VAL  QG1     6.45                
  5 ILE  QD1    16 VAL  QG1     6.56                
  5 ILE  QD1    21 PHE  HZ      5.72                
  6 LYS  HN      6 LYS  QB      3.71                
  6 LYS  HA      7 CYS  HN      2.40                
  6 LYS  HA     32 PHE  HA      2.71                
  6 LYS  HA     32 PHE  QD      6.54                
  6 LYS  HA     33 CYS  HN      4.01                
  6 LYS  QB      7 CYS  HN      4.21                
  7 CYS  HN      7 CYS  HB2     4.14                
  7 CYS  HN      7 CYS  HB3     3.83                
  7 CYS  HN     31 GLY  HA1     3.95                
  7 CYS  HN     31 GLY  HA2     4.57                
  7 CYS  HN     32 PHE  HA      3.21                
  7 CYS  HA      7 CYS  HB2     2.59                
  7 CYS  HA      7 CYS  HB3     2.62                
  7 CYS  HA      8 SER  HN      2.59                
  7 CYS  HA      9 GLU  HN      3.73                
  7 CYS  HA     12 GLN  HE22    5.50                
  7 CYS  HB2     8 SER  HN      3.27                
  7 CYS  HB2     9 GLU  HN      3.17                
  7 CYS  HB3     8 SER  HN      4.29                
  8 SER  HN      8 SER  HB2     4.14                
  8 SER  HN      8 SER  HB3     3.79                
  8 SER  HN      9 GLU  HN      2.49                
  8 SER  HN     12 GLN  HE22    5.28                
  8 SER  HA      8 SER  HB2     2.83                
  8 SER  HA      8 SER  HB3     2.86                
  9 GLU  HN      9 GLU  HB2     3.36                
  9 GLU  HN      9 GLU  QG      6.19                
  9 GLU  HN     12 GLN  HB2     5.44                
  9 GLU  HA      9 GLU  HB3     2.83                
  9 GLU  HA     10 SER  HN      2.62                
  9 GLU  HB2    10 SER  HN      4.07                
  9 GLU  HB2    11 TYR  QD      6.52                
  9 GLU  HB2    11 TYR  QE      6.64                
  9 GLU  HB3    10 SER  HN      3.52                
  9 GLU  HB3    11 TYR  HN      3.58                
  9 GLU  HB3    11 TYR  QD      6.46                
  9 GLU  HB3    11 TYR  QE      6.92                
 10 SER  HN     10 SER  HB2     2.99                
 10 SER  HN     10 SER  HB3     3.70                
 10 SER  HN     11 TYR  HN      3.55                
 10 SER  HN     28 CYS  HB2     5.50                
 10 SER  HN     28 CYS  HB3     5.44                
 10 SER  HA     13 CYS  HN      4.14                
 10 SER  HA     13 CYS  HB2     4.38                
 10 SER  HA     27 ARG  HA      3.92                
 10 SER  HA     28 CYS  HN      2.93                
 10 SER  HA     28 CYS  HB2     2.62                
 10 SER  HA     28 CYS  HB3     3.64                
 10 SER  HB2    28 CYS  HN      5.50                
 10 SER  HB3    11 TYR  HN      4.29                
 10 SER  HB3    27 ARG  HA      3.14                
 10 SER  HB3    28 CYS  HN      4.35                
 11 TYR  HN     11 TYR  HB2     3.39                
 11 TYR  HN     11 TYR  HB3     2.83                
 11 TYR  HN     12 GLN  HN      3.33                
 11 TYR  HA     11 TYR  HB2     2.59                
 11 TYR  HA     11 TYR  HB3     2.71                
 11 TYR  HA     13 CYS  HN      4.42                
 11 TYR  HA     14 PHE  HN      4.76                
 11 TYR  HA     14 PHE  HB2     4.51                
 11 TYR  HB3    14 PHE  QD      6.85                
 12 GLN  HN     12 GLN  HB2     2.86                
 12 GLN  HN     12 GLN  HB3     3.79                
 12 GLN  HN     12 GLN  HG2     4.23                
 12 GLN  HN     12 GLN  HG3     3.39                
 12 GLN  HN     13 CYS  HN      2.96                
 12 GLN  HA     12 GLN  HB3     3.05                
 12 GLN  HA     12 GLN  HG2     3.86                
 12 GLN  HA     12 GLN  HG3     3.76                
 12 GLN  HA     15 PRO  QG      6.38                
 12 GLN  HB2    13 CYS  HN      4.42                
 13 CYS  HN     13 CYS  HB2     2.83                
 13 CYS  HN     13 CYS  HB3     3.61                
 13 CYS  HN     14 PHE  HN      2.86                
 13 CYS  HA     16 VAL  HN      4.29                
 13 CYS  HA     16 VAL  HB      3.76                
 13 CYS  HA     16 VAL  QG1     5.63                
 13 CYS  HA     16 VAL  QG2     5.91                
 13 CYS  HA     17 CYS  HN      4.38                
 13 CYS  HB2    14 PHE  HN      3.67                
 13 CYS  HB2    26 GLY  HA2     4.29                
 13 CYS  HB3    14 PHE  HN      4.63                
 13 CYS  HB3    16 VAL  QG1     4.64                
 13 CYS  HB3    26 GLY  HA2     3.92                
 13 CYS  HB3    27 ARG  HN      5.50                
 13 CYS  HB3    28 CYS  HA      5.50                
 14 PHE  HN     14 PHE  HB2     3.24                
 14 PHE  HN     14 PHE  HB3     2.90                
 14 PHE  HN     15 PRO  QG      6.38                
 14 PHE  HN     15 PRO  QD      4.98                
 14 PHE  HA     14 PHE  HB2     2.83                
 14 PHE  HA     14 PHE  HB3     2.99                
 14 PHE  HA     17 CYS  HN      4.42                
 14 PHE  HA     17 CYS  HB2     3.92                
 14 PHE  HA     18 LYS  HN      5.07                
 14 PHE  HA     26 GLY  HN      4.82                
 14 PHE  HB2    15 PRO  QD      4.52                
 14 PHE  HB3    15 PRO  QD      4.21                
 15 PRO  HA     18 LYS  HN      3.86                
 15 PRO  HA     18 LYS  QB      4.83                
 15 PRO  HB2    16 VAL  HN      3.39                
 15 PRO  HB2    16 VAL  HA      4.63                
 15 PRO  QG     16 VAL  HN      5.45                
 15 PRO  QD     16 VAL  HN      5.11                
 16 VAL  HN     16 VAL  HB      2.96                
 16 VAL  HN     16 VAL  QG2     4.76                
 16 VAL  HN     17 CYS  HN      2.90                
 16 VAL  HA     17 CYS  HN      3.58                
 16 VAL  HA     20 ARG  HN      4.20                
 16 VAL  HB     17 CYS  HN      3.21                
 16 VAL  QG1    17 CYS  HN      5.26                
 16 VAL  QG1    17 CYS  HA      5.94                
 16 VAL  QG1    17 CYS  HB2     6.53                
 16 VAL  QG1    21 PHE  QE      6.98                
 17 CYS  HN     17 CYS  HB2     2.65                
 17 CYS  HN     17 CYS  HB3     3.52                
 17 CYS  HN     18 LYS  HN      2.93                
 17 CYS  HA     17 CYS  HB3     2.90                
 17 CYS  HA     20 ARG  HN      4.26                
 17 CYS  HA     21 PHE  HN      3.76                
 17 CYS  HA     21 PHE  HB2     3.45                
 17 CYS  HA     21 PHE  QD      5.48                
 17 CYS  HB2    18 LYS  HN      3.08                
 17 CYS  HB2    23 LYS  HB2     4.23                
 17 CYS  HB3    18 LYS  HN      4.11                
 17 CYS  HB3    25 ASN  HN      5.50                
 18 LYS  HN     18 LYS  QB      3.68                
 18 LYS  HN     19 SER  HN      2.96                
 18 LYS  HA     22 GLY  HN      3.58                
 18 LYS  HA     23 LYS  HN      2.80                
 18 LYS  QB     19 SER  HN      3.99                
 18 LYS  QB     24 THR  HA      6.38                
 19 SER  HN     19 SER  HA      2.90                
 19 SER  HN     20 ARG  HN      2.96                
 20 ARG  HN     20 ARG  HB2     3.58                
 20 ARG  HN     20 ARG  HB3     2.86                
 20 ARG  HN     20 ARG  HG2     5.28                
 20 ARG  HN     20 ARG  HG3     5.28                
 20 ARG  HN     20 ARG  QG      4.76                
 20 ARG  HN     21 PHE  HN      2.83                
 20 ARG  HN     22 GLY  HN      4.29                
 20 ARG  HA     20 ARG  HB2     3.05                
 20 ARG  HA     20 ARG  QD      6.38                
 20 ARG  HB2    20 ARG  QG      2.60                
 20 ARG  HB2    20 ARG  HE      5.16                
 20 ARG  HB2    21 PHE  HN      4.11                
 20 ARG  HB2    21 PHE  QD      6.63                
 20 ARG  HB2    21 PHE  QE      6.47                
 20 ARG  HB3    20 ARG  HE      5.50                
 20 ARG  HB3    21 PHE  HN      3.48                
 20 ARG  HB3    21 PHE  QD      6.88                
 21 PHE  HN     21 PHE  HB2     2.93                
 21 PHE  HN     21 PHE  HB3     3.52                
 21 PHE  HN     22 GLY  HN      2.65                
 21 PHE  HN     22 GLY  QA      5.73                
 21 PHE  HA     21 PHE  HB3     2.83                
 21 PHE  HB2    22 GLY  HN      4.32                
 21 PHE  HB2    23 LYS  HN      3.83                
 21 PHE  HB2    23 LYS  QG      5.42                
 21 PHE  HB3    23 LYS  HN      4.69                
 21 PHE  HB3    23 LYS  QG      5.11                
 22 GLY  HN     23 LYS  HN      3.05                
 22 GLY  QA     23 LYS  HN      4.11
 23 LYS  HN     23 LYS  HB2     2.74                
 23 LYS  HN     23 LYS  HB3     3.48                
 23 LYS  HN     23 LYS  HG2     5.25                
 23 LYS  HN     23 LYS  HG3     5.25                
 23 LYS  HN     23 LYS  QG      4.44                
 23 LYS  HA     23 LYS  QD      5.82                
 23 LYS  HA     24 THR  HN      2.74                
 23 LYS  HB2    23 LYS  QD      3.37                
 23 LYS  HB2    24 THR  HN      4.23                
 23 LYS  HB2    35 CYS  HB2     4.97                
 23 LYS  HB2    35 CYS  HB3     2.65                
 23 LYS  HB3    24 THR  HN      3.17                
 23 LYS  HB3    25 ASN  HN      3.21                
 23 LYS  HB3    35 CYS  HB3     3.61                
 23 LYS  HB3    36 PHE  HN      4.04                
 23 LYS  HG2    36 PHE  HN      5.50                
 23 LYS  HG3    36 PHE  HN      5.50                
 23 LYS  QG     24 THR  HN      6.38                
 23 LYS  QG     35 CYS  HB3     4.40                
 23 LYS  QD     24 THR  HN      6.38                
 24 THR  HN     24 THR  HB      3.55                
 24 THR  HN     24 THR  QG2     3.99                
 24 THR  HN     25 ASN  HN      2.80                
 24 THR  HA     24 THR  HB      2.90                
 24 THR  HA     25 ASN  HN      3.65                
 24 THR  HB     25 ASN  HN      4.11                
 24 THR  QG2    25 ASN  HN      6.37                
 25 ASN  HN     25 ASN  HB2     3.55                
 25 ASN  HN     25 ASN  HB3     3.08                
 25 ASN  HN     25 ASN  HD21    5.38                
 25 ASN  HN     36 PHE  HN      3.61                
 25 ASN  HA     25 ASN  HB2     2.93                
 25 ASN  HA     26 GLY  HN      2.86                
 25 ASN  HB3    26 GLY  HN      3.58                
 25 ASN  HB3    36 PHE  HN      4.91                
 25 ASN  HB3    36 PHE  QD      6.63                
 26 GLY  HN     27 ARG  HN      4.35                
 26 GLY  HA1    27 ARG  HN      2.59                
 26 GLY  HA1    35 CYS  HA      2.90                
 26 GLY  HA1    36 PHE  HN      3.76                
 26 GLY  HA2    27 ARG  HN      2.96                
 26 GLY  HA2    35 CYS  HA      3.48                
 27 ARG  HN     33 CYS  HA      4.72                
 27 ARG  HN     34 ASP  HN      3.05                
 27 ARG  HN     34 ASP  HB2     5.50                
 27 ARG  HN     34 ASP  HB3     4.85                
 27 ARG  HN     35 CYS  HA      4.35                
 27 ARG  HN     36 PHE  QE      7.62                
 27 ARG  HA     27 ARG  QD      6.38                
 27 ARG  HA     28 CYS  HN      2.52                
 27 ARG  QB     29 VAL  QG2     6.26                
 27 ARG  QB     36 PHE  QE      7.88                
 28 CYS  HN     28 CYS  HB2     3.05                
 28 CYS  HN     28 CYS  HB3     2.90                
 28 CYS  HN     29 VAL  QG2     6.53                
 28 CYS  HA     28 CYS  HB2     2.96                
 28 CYS  HA     29 VAL  HN      2.43                
 28 CYS  HA     29 VAL  QG2     6.53                
 28 CYS  HA     34 ASP  HN      3.70                
 29 VAL  HN     29 VAL  HB      3.02                
 29 VAL  HN     29 VAL  QG2     4.88                
 29 VAL  HN     32 PHE  HN      3.30                
 29 VAL  HN     33 CYS  HA      3.61                
 29 VAL  HA     30 ASN  HN      2.40                
 29 VAL  HA     31 GLY  HN      5.00                
 29 VAL  HB     34 ASP  HB2     4.42                
 29 VAL  QG1    30 ASN  HN      4.88                
 29 VAL  QG1    30 ASN  HB2     4.82                
 29 VAL  QG1    30 ASN  HD21    6.53                
 29 VAL  QG1    30 ASN  HD22    6.53                
 29 VAL  QG1    34 ASP  HB2     6.12                
 29 VAL  QG2    30 ASN  HN      6.53                
 29 VAL  QG2    34 ASP  HN      6.34                
 29 VAL  QG2    34 ASP  HB2     4.61                
 29 VAL  QG2    34 ASP  HB3     4.11                
 30 ASN  HN     30 ASN  HA      2.46                
 30 ASN  HN     31 GLY  HN      3.17                
 30 ASN  HA     30 ASN  HB3     2.96                
 30 ASN  HA     31 GLY  HN      2.99                
 31 GLY  HN     31 GLY  HA1     2.59                
 31 GLY  HN     31 GLY  HA2     2.86                
 31 GLY  HN     32 PHE  HN      2.96                
 31 GLY  HA1    32 PHE  HN      3.33                
 31 GLY  HA2    32 PHE  HN      3.45                
 32 PHE  HN     32 PHE  HB2     2.93                
 32 PHE  HN     32 PHE  HB3     3.76                
 32 PHE  HN     33 CYS  HN      4.45                
 32 PHE  HA     32 PHE  HB3     2.83                
 32 PHE  HA     33 CYS  HN      2.49                
 32 PHE  HB2    33 CYS  HN      4.11                
 32 PHE  HB3    33 CYS  HN      3.05                
 33 CYS  HN     33 CYS  HB2     2.68                
 33 CYS  HN     33 CYS  HB3     3.48                
 33 CYS  HA     33 CYS  HB3     2.86                
 33 CYS  HA     34 ASP  HN      2.40                
 33 CYS  HB2    34 ASP  HN      4.69                
 34 ASP  HN     34 ASP  HB2     3.03                
 34 ASP  HN     34 ASP  HB3     2.96                
 34 ASP  HA     34 ASP  HB2     3.02                
 34 ASP  HA     35 CYS  HN      2.43                
 35 CYS  HN     35 CYS  HB2     2.90                
 35 CYS  HN     35 CYS  HB3     3.64                
 35 CYS  HA     35 CYS  HB3     2.74                
 35 CYS  HA     36 PHE  HN      2.52                
 35 CYS  HB2    36 PHE  HN      4.38                
 35 CYS  HB3    36 PHE  HN      3.36                
 36 PHE  HN     36 PHE  HB2     4.07                
 36 PHE  HN     36 PHE  HB3     3.73                
 36 PHE  HA     36 PHE  HB2     2.74                
 36 PHE  HA     36 PHE  HB3     2.59                
# 67 lower NOE constraints
# 4 intra, 24 short, 13 medium, 26 long
  2 PRO  HA     34 ASP  HB2     3.00
  2 PRO  HB2    32 PHE  HB2     3.00
  2 PRO  HB3    32 PHE  HB2     3.00
  3 THR  HN     32 PHE  HB3     3.00
  3 THR  HG21   21 PHE  HE2     3.00
  3 THR  HG22   21 PHE  HE1     3.00
  3 THR  HG22   21 PHE  HE2     3.00
  3 THR  HG23   21 PHE  HE1     3.00
  3 THR  HG23   21 PHE  HE2     3.00
  4 ASP  HN      5 ILE  HG13    3.00
  5 ILE  HD11   20 ARG  HE      3.00
  5 ILE  HD12   20 ARG  HE      3.00
  5 ILE  HD13   20 ARG  HE      3.00
  6 LYS  HB2    32 PHE  HE1     3.00
  6 LYS  HB2    32 PHE  HE2     3.00
  6 LYS  HD2     7 CYS  HN      3.00
  6 LYS  HD2     7 CYS  HA      3.00
  6 LYS  HD3     7 CYS  HN      3.00
  6 LYS  HD3     7 CYS  HA      3.00
  9 GLU  HN     11 TYR  HE1     3.00
  9 GLU  HN     11 TYR  HE2     3.00
  9 GLU  HB3    11 TYR  HB3     3.00
 12 GLN  HA     15 PRO  HG2     3.00 
 13 CYS  HB3    33 CYS  HA      3.00
 16 VAL  HG11   33 CYS  HB2     3.00
 16 VAL  HG11   33 CYS  HB3     3.00
 16 VAL  HG12   33 CYS  HB2     3.00
 16 VAL  HG12   33 CYS  HB3     3.00
 16 VAL  HG13   33 CYS  HB2     3.00
 16 VAL  HG13   33 CYS  HB3     3.00
 20 ARG  HN     22 GLY  HN      3.00 
 20 ARG  HG2    21 PHE  HD1     3.00
 20 ARG  HG2    21 PHE  HE1     3.00
 20 ARG  HG2    21 PHE  HE2     3.00
 20 ARG  HG2    21 PHE  HD2     3.00
 20 ARG  HG3    21 PHE  HD1     3.00
 20 ARG  HG3    21 PHE  HE1     3.00
 20 ARG  HG3    21 PHE  HE2     3.00
 20 ARG  HG3    21 PHE  HD2     3.00
 21 PHE  HB3    23 LYS  HD2     3.00
 21 PHE  HB3    23 LYS  HD3     3.00
 21 PHE  HB3    23 LYS  HE2     3.00
 21 PHE  HB3    23 LYS  HE3     3.00
 22 GLY  HN     23 LYS  HD2     3.00
 23 LYS  HD2    24 THR  HN      3.00
 23 LYS  HD3    24 THR  HN      3.00
 23 LYS  HD3    35 CYS  HB2     3.00
 23 LYS  HE2    35 CYS  HB2     3.00
 23 LYS  HE3    36 PHE  HA      3.00
 24 THR  HG21   25 ASN  HD21    3.00
 24 THR  HG22   25 ASN  HD22    3.00
 24 THR  HG22   25 ASN  HD21    3.00
 24 THR  HG23   25 ASN  HD22    3.00
 24 THR  HG23   25 ASN  HD21    3.00
 25 ASN  HA     25 ASN  HD22    3.00
 25 ASN  HB3    25 ASN  HD22    3.00
 26 GLY  HA1    36 PHE  HE1     3.00
 26 GLY  HA1    36 PHE  HE2     3.00
 29 VAL  HB     34 ASP  HB3     3.00
 29 VAL  HG11   30 ASN  HB2     3.00
 29 VAL  HG12   30 ASN  HB2     3.00
 29 VAL  HG13   30 ASN  HB2     3.00
 30 ASN  HA     30 ASN  HD22    3.00
 30 ASN  HB2    30 ASN  HD22    3.00
 30 ASN  HB3    32 PHE  HB2     3.00
 30 ASN  HB3    32 PHE  HD1     3.00
 30 ASN  HB3    32 PHE  HD2     3.00
#
# SS-BONDS
# 9 upper SS-bond constraints
  7 CYS 
         CB     28 CYS  SG      3.10
         SG     28 CYS  CB      3.10
         SG     28 CYS  SG      2.10
 13 CYS 
         CB     33 CYS  SG      3.10
         SG     33 CYS  CB      3.10
         SG     33 CYS  SG      2.10
 17 CYS 
         CB     35 CYS  SG      3.10
         SG     35 CYS  CB      3.10
         SG     35 CYS  SG      2.10
# 9 lower SS-bond constraints
  7 CYS 
         CB     28 CYS  SG      3.00
         SG     28 CYS  CB      3.00
         SG     28 CYS  SG      2.00
 13 CYS 
         CB     33 CYS  SG      3.00
         SG     33 CYS  CB      3.00
         SG     33 CYS  SG      2.00
 17 CYS 
         CB     35 CYS  SG      3.00
         SG     35 CYS  CB      3.00
         SG     35 CYS  SG      2.00
#
# 23 H-BONDS: 18 bb-bb, 5 bb-sc
# 64 upper H-bond constraints
  3 THR
         N      33 CYS  O       3.30
         HN     33 CYS  C       3.50
         HN     33 CYS  O       2.20
  5 ILE
         N       3 THR  OG1     3.40
         HN      3 THR  OG1     2.50
  7 CYS 
         N      31 GLY  O       3.30
         HN     31 GLY  C       3.50
         HN     31 GLY  O       2.20
  8 SER
         N      12 GLN  OE1     3.40
         HN     12 GLN  OE1     2.30
  9 GLU
         N      12 GLN  OE1     3.40
         HN     12 GLN  OE1     2.30
 12 GLN
         N       9 GLU  O       3.40
         HN      9 GLU  C       3.50
         HN      9 GLU  O       2.40
 13 CYS 
         N      10 SER  O       3.40
         HN     10 SER  C       3.50
         HN     10 SER  O       2.40
 14 PHE
         N      10 SER  O       3.30
         HN     10 SER  C       3.50
         HN     10 SER  O       2.30
 17 CYS 
         N      13 CYS  O       3.30
         HN     13 CYS  C       3.50
         HN     13 CYS  O       2.30
 18 LYS 
         N      14 PHE  O       3.30
         HN     14 PHE  C       3.50
         HN     14 PHE  O       2.30
 20 ARG   
         N      16 VAL  O       3.30
         HN     16 VAL  C       3.50
         HN     16 VAL  O       2.30
 21 PHE
         N      17 CYS  O       3.30
         HN     17 CYS  C       3.50
         HN     17 CYS  O       2.30
 22 GLY
         N      17 CYS  O       3.30
         HN     17 CYS  C       3.50
         HN     17 CYS  O       2.30
 26 GLY
         N      25 ASN  OD1     3.40
         HN     25 ASN  OD1     2.40
 25 ASN 
         N      36 PHE  O       3.30
         HN     36 PHE  C       3.50
         HN     36 PHE  O       2.20
 27 ARG 
         N      34 ASP  O       3.30
         HN     34 ASP  C       3.50
         HN     34 ASP  O       2.20
 28 CYS 
         N      10 SER  OG      3.40
         HN     10 SER  OG      2.50
 29 VAL
         N      32 PHE  O       3.40
         HN     32 PHE  C       3.50
         HN     32 PHE  O       2.40
 32 PHE
         N      29 VAL  O       3.40
         HN     29 VAL  C       3.50
         HN     29 VAL  O       2.40
 33 CYS 
         N       5 ILE  O       3.30
         HN      5 ILE  C       3.50
         HN      5 ILE  O       2.20
 34 ASP
         N      27 ARG  O       3.30
         HN     27 ARG  C       3.50
         HN     27 ARG  O       2.20
 35 CYS 
         N       1 ARG  O       3.30
         HN      1 ARG  C       3.50
         HN      1 ARG  O       2.20
 36 PHE
         N      25 ASN  O       3.30
         HN     25 ASN  C       3.50
         HN     25 ASN  O       2.20
# 64 lower H-bond constraints
  3 THR
         N      33 CYS  O       2.60
         HN     33 CYS  C       2.60
         HN     33 CYS  O       1.70
  5 ILE
         N       3 THR  OG1     2.60
         HN      3 THR  OG1     1.80
  7 CYS 
         N      31 GLY  O       2.60
         HN     31 GLY  C       2.60
         HN     31 GLY  O       1.70
  8 SER
         N      12 GLN  OE1     2.60
         HN     12 GLN  OE1     1.80
  9 GLU
         N      12 GLN  OE1     2.60
         HN     12 GLN  OE1     1.80
 12 GLN
         N       9 GLU  O       2.70
         HN      9 GLU  C       2.60
         HN      9 GLU  O       1.90
 13 CYS 
         N      10 SER  O       2.70
         HN     10 SER  C       2.60
         HN     10 SER  O       1.90
 14 PHE
         N      10 SER  O       2.60
         HN     10 SER  C       2.60
         HN     10 SER  O       1.80
 17 CYS 
         N      13 CYS  O       2.60
         HN     13 CYS  C       2.60
         HN     13 CYS  O       1.80
 18 LYS 
         N      14 PHE  O       2.60
         HN     14 PHE  C       2.60
         HN     14 PHE  O       1.80
 20 ARG 
         N      16 VAL  O       2.60
         HN     16 VAL  C       2.60
         HN     16 VAL  O       1.80
 21 PHE
         N      17 CYS  O       2.60
         HN     17 CYS  C       2.60
         HN     17 CYS  O       1.80
 22 GLY
         N      17 CYS  O       2.60
         HN     17 CYS  C       2.60
         HN     17 CYS  O       1.80
 26 GLY
         N      25 ASN  OD1     2.60
         HN     25 ASN  OD1     1.70
 25 ASN
         N      36 PHE  O       2.60
         HN     36 PHE  C       2.60
         HN     36 PHE  O       1.70
 27 ARG 
         N      34 ASP  O       2.60
         HN     34 ASP  C       2.60
         HN     34 ASP  O       1.70
 28 CYS 
         N      10 SER  OG      2.60
         HN     10 SER  OG      1.80
 29 VAL
         N      32 PHE  O       2.70
         HN     32 PHE  C       2.60
         HN     32 PHE  O       1.90
 32 PHE
         N      29 VAL  O       2.70
         HN     29 VAL  C       2.60
         HN     29 VAL  O       1.90
 33 CYS 
         N       5 ILE  O       2.60
         HN      5 ILE  C       2.60
         HN      5 ILE  O       1.70
 34 ASP
         N      27 ARG  O       2.60
         HN     27 ARG  C       2.60
         HN     27 ARG  O       1.70
 35 CYS 
         N       1 ARG  O       2.60
         HN      1 ARG  C       2.60
         HN      1 ARG  O       1.70
 36 PHE
         N      25 ASN  O       2.60
         HN     25 ASN  C       2.60
         HN     25 ASN  O       1.70
#
# TORSION ANGLE CONSTRAINTS (deg)
# 33 PHI, 35 PSI, 31 CHI1, 15 CHI2
   1 ARG   CHI1     30.0   310.0
   1 ARG   CHI2     60.0   290.0
   1 ARG   PSI     100.0   170.0
   2 PRO   PSI     130.0   190.0
   3 THR   PHI    -145.0   -90.0
   3 THR   CHI1     50.0    80.0
   3 THR   PSI    -180.0  -140.0
   4 ASP   PHI    -140.0   -85.0
   4 ASP   CHI1     65.0    75.0
   4 ASP   CHI2   -110.0   150.0
   4 ASP   PSI     -10.0    20.0
   5 ILE   PHI     -95.0   -75.0
   5 ILE   CHI1    -70.0   -30.0
   5 ILE   PSI      90.0   185.0
   6 LYS   PHI     -80.0   -55.0
   6 LYS   CHI1   -310.0   -40.0
   6 LYS   CHI2     70.0   280.0
   6 LYS   PSI     120.0   170.0
   7 CYS   PHI    -165.0  -135.0
   7 CYS   CHI1     35.0    65.0
   7 CYS   PSI     120.0   170.0
   8 SER   PHI    -115.0   -90.0
   8 SER   CHI1     45.0    65.0
   8 SER   PSI     -40.0    20.0
   9 GLU   PHI    -175.0  -150.0
   9 GLU   CHI1   -150.0   -40.0
   9 GLU   CHI2     50.0   310.0
   9 GLU   PSI     130.0   170.0
  10 SER   PHI     -80.0   -55.0
  10 SER   CHI1    -95.0   -50.0
  10 SER   CHI2     20.0   290.0
  10 SER   PSI     -60.0   -30.0
  11 TYR   PHI     -80.0   -50.0
  11 TYR   CHI1     50.0    85.0
  11 TYR   CHI2   -115.0    90.0
  11 TYR   PSI     -50.0     5.0
  12 GLN   PHI     -85.0   -50.0
  12 GLN   CHI1   -105.0   -35.0
  12 GLN   CHI2   -220.0  -100.0
  12 GLN   PSI     -50.0   -10.0
  13 CYS   PHI     -85.0   -60.0
  13 CYS   CHI1    -85.0   -55.0
  13 CYS   PSI     -40.0    15.0
  14 PHE   PHI     -75.0   -45.0
  14 PHE   CHI1    130.0   200.0
  14 PHE   CHI2     40.0   280.0
  14 PHE   PSI     -60.0   -30.0
  15 PRO   PSI     -70.0   -30.0
  16 VAL   PHI     -70.0   -50.0
  16 VAL   CHI1    125.0   170.0
  16 VAL   PSI     -80.0   -15.0
  17 CYS   PHI     -75.0   -45.0
  17 CYS   CHI1    -95.0   -50.0
  17 CYS   PSI     -90.0   -20.0
  18 LYS   PHI     -70.0   -45.0
  18 LYS   CHI1   -200.0  -140.0
  18 LYS   CHI2   -280.0   -80.0
  18 LYS   PSI     -60.0    15.0
  19 SER   PHI    -170.0   -55.0
  19 SER   CHI1   -300.0   -50.0
  19 SER   PSI     -90.0   -20.0
  20 ARG   PHI     -85.0   -65.0
  20 ARG   CHI1     75.0   235.0
  20 ARG   CHI2     50.0   300.0
  20 ARG   PSI     -90.0     0.0
  21 PHE   PHI    -140.0   -65.0
  21 PHE   CHI1    -85.0   -45.0
  21 PHE   PSI     -80.0     0.0
  22 GLY   PHI      70.0   150.0
  22 GLY   PSI      20.0    80.0
  23 LYS   PHI    -130.0   -75.0
  23 LYS   CHI1   -135.0   -60.0
  23 LYS   CHI2     30.0   260.0
  23 LYS   PSI     150.0   200.0
  24 THR   PHI    -105.0   -75.0
  24 THR   CHI1     15.0   105.0
  24 THR   PSI     -70.0     0.0
  25 ASN   PHI    -165.0  -135.0
  25 ASN   CHI1   -190.0  -140.0
  25 ASN   CHI2   -120.0    70.0
  25 ASN   PSI     140.0   190.0
  26 GLY   PHI    -180.0  -130.0
  26 GLY   PSI     140.0   190.0
  27 ARG   PHI    -165.0  -130.0
  27 ARG   CHI1     40.0   310.0
  27 ARG   CHI2   -290.0   -60.0
  27 ARG   PSI     100.0   170.0
  28 CYS   PHI    -105.0   -75.0
  28 CYS   CHI1   -185.0  -145.0
  28 CYS   PSI      80.0   130.0
  29 VAL   PHI    -145.0   -95.0
  29 VAL   CHI1   -200.0  -150.0
  29 VAL   PSI     110.0   150.0
  30 ASN   PHI      50.0    80.0
  30 ASN   CHI1   -105.0   -30.0
  30 ASN   CHI2   -120.0   150.0
  30 ASN   PSI      10.0    50.0
  31 GLY   PHI      40.0   100.0
  31 GLY   PSI     -10.0    30.0
  32 PHE   PHI    -140.0   -95.0
  32 PHE   CHI1    -85.0   -50.0
  32 PHE   PSI     135.0   180.0
  33 CYS   PHI     -75.0   -50.0
  33 CYS   CHI1    -85.0   -50.0
  33 CYS   PSI     110.0   150.0
  34 ASP   PHI    -145.0  -125.0
  34 ASP   CHI1   -190.0  -170.0
  34 ASP   PSI      70.0   160.0
  35 CYS   PHI    -145.0   -95.0
  35 CYS   CHI1    -85.0   -45.0
  35 CYS   PSI     120.0   180.0
  36 PHE   PHI    -165.0  -130.0
  36 PHE   CHI1     45.0    65.0
  36 PHE   CHI2     60.0   290.0



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ARG   1          1H        ARG   1  -5.686   5.611  -2.220
    2   2H    ARG   1          2H        ARG   1  -7.234   6.009  -1.789
    3   3H    ARG   1          3H        ARG   1  -6.582   4.567  -1.299
    4    HA   ARG   1           HA       ARG   1  -8.167   4.401  -3.046
    5   1HB   ARG   1          1HB       ARG   1  -6.168   6.237  -4.309
    6   2HB   ARG   1          2HB       ARG   1  -6.762   4.964  -5.355
    7   1HG   ARG   1          1HG       ARG   1  -8.303   6.743  -5.690
    8   2HG   ARG   1          2HG       ARG   1  -9.145   5.658  -4.602
    9   1HD   ARG   1          1HD       ARG   1  -7.438   7.806  -3.354
   10   2HD   ARG   1          2HD       ARG   1  -8.934   8.312  -4.113
   11    HE   ARG   1           HE       ARG   1  -9.556   6.059  -2.503
   12   1HH1  ARG   1          1HH1      ARG   1  -8.495   9.392  -2.115
   13   2HH1  ARG   1          2HH1      ARG   1  -9.125   9.540  -0.509
   14   1HH2  ARG   1          1HH2      ARG   1 -10.386   6.253  -0.381
   15   2HH2  ARG   1          2HH2      ARG   1 -10.226   7.749   0.476
   16    HA   PRO   2           HA       PRO   2  -5.725   0.851  -4.148
   17   1HB   PRO   2          1HB       PRO   2  -7.135  -0.154  -6.263
   18   2HB   PRO   2          2HB       PRO   2  -7.559  -0.470  -4.593
   19   1HG   PRO   2          1HG       PRO   2  -8.869   1.343  -6.526
   20   2HG   PRO   2          2HG       PRO   2  -9.502   0.695  -5.026
   21   1HD   PRO   2          1HD       PRO   2  -8.519   3.353  -5.468
   22   2HD   PRO   2          2HD       PRO   2  -9.044   2.670  -3.942
   23    H    THR   3           H        THR   3  -4.121   0.036  -5.567
   24    HA   THR   3           HA       THR   3  -3.661   1.870  -7.822
   25    HB   THR   3           HB       THR   3  -1.216   1.738  -7.200
   26    HG1  THR   3           HG1      THR   3  -1.894  -0.355  -5.930
   27   1HG2  THR   3          1HG2      THR   3  -2.721   3.585  -6.214
   28   2HG2  THR   3          2HG2      THR   3  -2.879   2.559  -4.768
   29   3HG2  THR   3          3HG2      THR   3  -1.282   3.183  -5.247
   30    H    ASP   4           H        ASP   4  -1.315   0.576  -8.764
   31    HA   ASP   4           HA       ASP   4  -2.388  -2.075  -9.333
   32   1HB   ASP   4          1HB       ASP   4  -1.188  -1.970 -11.484
   33   2HB   ASP   4          2HB       ASP   4  -2.285  -0.611 -11.332
   34    HD2  ASP   4           HD2      ASP   4  -0.476  -0.556 -13.037
   35    H    ILE   5           H        ILE   5  -0.359  -0.650  -7.284
   36    HA   ILE   5           HA       ILE   5   2.132  -1.904  -7.881
   37    HB   ILE   5           HB       ILE   5   1.061  -0.539  -5.410
   38   1HG1  ILE   5          1HG1      ILE   5   3.116   0.529  -7.345
   39   2HG1  ILE   5          2HG1      ILE   5   1.400   0.747  -7.630
   40   1HG2  ILE   5          1HG2      ILE   5   3.402  -0.449  -4.654
   41   2HG2  ILE   5          2HG2      ILE   5   2.793  -2.117  -4.769
   42   3HG2  ILE   5          3HG2      ILE   5   3.876  -1.477  -6.028
   43   1HD1  ILE   5          1HD1      ILE   5   2.963   1.660  -5.174
   44   2HD1  ILE   5          2HD1      ILE   5   2.233   2.695  -6.426
   45   3HD1  ILE   5          3HD1      ILE   5   1.192   1.765  -5.322
   46    H    LYS   6           H        LYS   6   2.514  -4.047  -7.723
   47    HA   LYS   6           HA       LYS   6   0.500  -5.684  -6.554
   48   1HB   LYS   6          1HB       LYS   6   1.719  -6.221  -8.659
   49   2HB   LYS   6          2HB       LYS   6   3.189  -6.445  -7.732
   50   1HG   LYS   6          1HG       LYS   6   2.201  -8.293  -6.471
   51   2HG   LYS   6          2HG       LYS   6   0.617  -7.983  -7.154
   52   1HD   LYS   6          1HD       LYS   6   1.492  -9.829  -8.403
   53   2HD   LYS   6          2HD       LYS   6   1.635  -8.444  -9.466
   54   1HE   LYS   6          1HE       LYS   6   4.017  -8.191  -8.917
   55   2HE   LYS   6          2HE       LYS   6   3.910  -9.429  -7.682
   56   1HZ   LYS   6          1HZ       LYS   6   3.434  -9.868 -10.549
   57   2HZ   LYS   6          2HZ       LYS   6   4.789 -10.286  -9.740
   58   3HZ   LYS   6          3HZ       LYS   6   3.371 -11.018  -9.392
   59    H    CYS   7           H        CYS   7   0.653  -7.069  -4.736
   60    HA   CYS   7           HA       CYS   7   3.049  -6.933  -3.152
   61   1HB   CYS   7          1HB       CYS   7   1.802  -6.232  -1.102
   62   2HB   CYS   7          2HB       CYS   7   2.081  -4.971  -2.285
   63    H    SER   8           H        SER   8   3.041  -8.666  -1.510
   64    HA   SER   8           HA       SER   8   0.963 -10.624  -2.020
   65   1HB   SER   8          1HB       SER   8   2.563 -12.109  -0.616
   66   2HB   SER   8          2HB       SER   8   3.075 -11.655  -2.230
   67    HG   SER   8           HG       SER   8   4.614 -10.313  -1.433
   68    H    GLU   9           H        GLU   9   2.087  -8.254   0.287
   69    HA   GLU   9           HA       GLU   9   0.136  -9.157   2.192
   70   1HB   GLU   9          1HB       GLU   9   3.111  -9.296   2.658
   71   2HB   GLU   9          2HB       GLU   9   2.083  -8.840   4.002
   72   1HG   GLU   9          1HG       GLU   9   1.941 -11.118   4.303
   73   2HG   GLU   9          2HG       GLU   9   0.664 -10.981   3.111
   74    HE2  GLU   9           HE2      GLU   9   0.896 -12.322   1.559
   75    H    SER  10           H        SER  10   0.140  -7.494   4.168
   76    HA   SER  10           HA       SER  10  -0.398  -5.133   2.677
   77   1HB   SER  10          1HB       SER  10  -1.002  -6.063   5.501
   78   2HB   SER  10          2HB       SER  10  -1.334  -4.411   5.017
   79    HG   SER  10           HG       SER  10  -3.188  -5.816   4.727
   80    H    TYR  11           H        TYR  11   1.921  -6.258   5.132
   81    HA   TYR  11           HA       TYR  11   2.729  -3.672   5.976
   82   1HB   TYR  11          1HB       TYR  11   4.366  -5.019   7.204
   83   2HB   TYR  11          2HB       TYR  11   2.920  -6.004   7.125
   84    HD1  TYR  11           HD1      TYR  11   2.922  -8.118   6.022
   85    HD2  TYR  11           HD2      TYR  11   6.274  -5.491   5.606
   86    HE1  TYR  11           HE1      TYR  11   4.265  -9.989   4.945
   87    HE2  TYR  11           HE2      TYR  11   7.605  -7.371   4.531
   88    HH   TYR  11           HH       TYR  11   7.627  -9.437   3.920
   89    H    GLN  12           H        GLN  12   3.251  -5.458   3.081
   90    HA   GLN  12           HA       GLN  12   5.800  -4.333   2.535
   91   1HB   GLN  12          1HB       GLN  12   3.729  -5.639   0.716
   92   2HB   GLN  12          2HB       GLN  12   5.340  -5.181   0.202
   93   1HG   GLN  12          1HG       GLN  12   6.387  -6.768   1.672
   94   2HG   GLN  12          2HG       GLN  12   4.922  -6.993   2.609
   95   1HE2  GLN  12          1HE2      GLN  12   5.817  -9.248   1.990
   96   2HE2  GLN  12          2HE2      GLN  12   4.981 -10.012   0.680
   97    H    CYS  13           H        CYS  13   2.434  -3.329   2.291
   98    HA   CYS  13           HA       CYS  13   2.970  -1.475   0.159
   99   1HB   CYS  13          1HB       CYS  13   0.466  -2.043   1.757
  100   2HB   CYS  13          2HB       CYS  13   0.562  -0.888   0.442
  101    H    PHE  14           H        PHE  14   2.615  -1.569   3.724
  102    HA   PHE  14           HA       PHE  14   1.440   0.901   4.047
  103   1HB   PHE  14          1HB       PHE  14   1.413  -0.316   6.038
  104   2HB   PHE  14          2HB       PHE  14   2.862  -1.198   5.602
  105    HD1  PHE  14           HD1      PHE  14   2.022   2.345   6.474
  106    HD2  PHE  14           HD2      PHE  14   4.585  -0.978   7.100
  107    HE1  PHE  14           HE1      PHE  14   3.335   3.673   8.151
  108    HE2  PHE  14           HE2      PHE  14   5.898   0.349   8.777
  109    HZ   PHE  14           HZ       PHE  14   5.257   2.659   9.282
  110    HA   PRO  15           HA       PRO  15   5.831   2.575   4.680
  111   1HB   PRO  15          1HB       PRO  15   7.976   1.130   3.796
  112   2HB   PRO  15          2HB       PRO  15   7.411   1.090   5.454
  113   1HG   PRO  15          1HG       PRO  15   7.086  -0.945   3.334
  114   2HG   PRO  15          2HG       PRO  15   6.916  -1.130   5.068
  115   1HD   PRO  15          1HD       PRO  15   4.795  -0.945   3.147
  116   2HD   PRO  15          2HD       PRO  15   4.627  -1.013   4.890
  117    H    VAL  16           H        VAL  16   5.212   0.800   1.769
  118    HA   VAL  16           HA       VAL  16   6.685   2.544   0.101
  119    HB   VAL  16           HB       VAL  16   5.089   0.173  -0.097
  120   1HG1  VAL  16          1HG1      VAL  16   4.458   2.306  -2.164
  121   2HG1  VAL  16          2HG1      VAL  16   4.064   0.577  -2.323
  122   3HG1  VAL  16          3HG1      VAL  16   3.316   1.546  -1.030
  123   1HG2  VAL  16          1HG2      VAL  16   6.410  -0.168  -2.139
  124   2HG2  VAL  16          2HG2      VAL  16   6.951   1.527  -2.079
  125   3HG2  VAL  16          3HG2      VAL  16   7.433   0.393  -0.794
  126    H    CYS  17           H        CYS  17   3.367   2.501   1.435
  127    HA   CYS  17           HA       CYS  17   2.436   4.514  -0.336
  128   1HB   CYS  17          1HB       CYS  17   1.315   3.343   2.212
  129   2HB   CYS  17          2HB       CYS  17   0.501   4.595   1.295
  130    H    LYS  18           H        LYS  18   3.747   4.314   3.016
  131    HA   LYS  18           HA       LYS  18   3.235   7.000   3.676
  132   1HB   LYS  18          1HB       LYS  18   3.608   5.193   5.319
  133   2HB   LYS  18          2HB       LYS  18   5.279   5.067   4.808
  134   1HG   LYS  18          1HG       LYS  18   4.394   7.830   5.508
  135   2HG   LYS  18          2HG       LYS  18   4.392   6.700   6.848
  136   1HD   LYS  18          1HD       LYS  18   6.757   6.115   6.406
  137   2HD   LYS  18          2HD       LYS  18   6.776   7.143   4.987
  138   1HE   LYS  18          1HE       LYS  18   6.291   9.136   6.435
  139   2HE   LYS  18          2HE       LYS  18   6.296   8.103   7.851
  140   1HZ   LYS  18          1HZ       LYS  18   8.574   7.522   7.345
  141   2HZ   LYS  18          2HZ       LYS  18   8.569   8.491   6.029
  142   3HZ   LYS  18          3HZ       LYS  18   8.420   9.139   7.521
  143    H    SER  19           H        SER  19   5.898   5.306   1.998
  144    HA   SER  19           HA       SER  19   7.636   7.513   2.118
  145   1HB   SER  19          1HB       SER  19   8.489   5.240   1.801
  146   2HB   SER  19          2HB       SER  19   7.574   5.053   0.319
  147    HG   SER  19           HG       SER  19   9.811   5.578  -0.099
  148    H    ARG  20           H        ARG  20   5.358   6.181  -0.377
  149    HA   ARG  20           HA       ARG  20   6.420   7.970  -2.304
  150   1HB   ARG  20          1HB       ARG  20   5.681   5.672  -2.915
  151   2HB   ARG  20          2HB       ARG  20   4.044   6.045  -2.415
  152   1HG   ARG  20          1HG       ARG  20   4.196   6.250  -4.851
  153   2HG   ARG  20          2HG       ARG  20   3.922   7.838  -4.163
  154   1HD   ARG  20          1HD       ARG  20   6.780   6.959  -4.573
  155   2HD   ARG  20          2HD       ARG  20   5.852   7.409  -5.989
  156    HE   ARG  20           HE       ARG  20   5.380   9.461  -4.134
  157   1HH1  ARG  20          1HH1      ARG  20   8.093   8.152  -5.945
  158   2HH1  ARG  20          2HH1      ARG  20   9.065   9.576  -5.771
  159   1HH2  ARG  20          1HH2      ARG  20   6.671  11.335  -3.878
  160   2HH2  ARG  20          2HH2      ARG  20   8.224  11.421  -4.640
  161    H    PHE  21           H        PHE  21   3.176   7.454  -0.717
  162    HA   PHE  21           HA       PHE  21   2.242   9.841  -2.104
  163   1HB   PHE  21          1HB       PHE  21   0.834   7.629  -0.492
  164   2HB   PHE  21          2HB       PHE  21   0.004   8.858  -1.425
  165    HD1  PHE  21           HD1      PHE  21   0.793   5.554  -1.469
  166    HD2  PHE  21           HD2      PHE  21   1.097   8.961  -3.980
  167    HE1  PHE  21           HE1      PHE  21   0.852   4.062  -3.487
  168    HE2  PHE  21           HE2      PHE  21   1.157   7.470  -5.997
  169    HZ   PHE  21           HZ       PHE  21   1.034   5.038  -5.727
  170    H    GLY  22           H        GLY  22   3.209   8.675   1.044
  171   1HA   GLY  22          1HA       GLY  22   3.448   9.870   2.966
  172   2HA   GLY  22          2HA       GLY  22   2.636  11.239   2.233
  173    H    LYS  23           H        LYS  23   1.187   7.991   2.118
  174    HA   LYS  23           HA       LYS  23  -1.090   8.987   3.560
  175   1HB   LYS  23          1HB       LYS  23  -0.490   6.322   2.246
  176   2HB   LYS  23          2HB       LYS  23  -2.008   6.710   3.030
  177   1HG   LYS  23          1HG       LYS  23  -1.109   8.780   1.099
  178   2HG   LYS  23          2HG       LYS  23  -1.405   7.218   0.363
  179   1HD   LYS  23          1HD       LYS  23  -3.684   7.150   1.284
  180   2HD   LYS  23          2HD       LYS  23  -3.398   8.607   2.213
  181   1HE   LYS  23          1HE       LYS  23  -3.057   9.891   0.083
  182   2HE   LYS  23          2HE       LYS  23  -3.361   8.433  -0.839
  183   1HZ   LYS  23          1HZ       LYS  23  -5.550   8.335   0.154
  184   2HZ   LYS  23          2HZ       LYS  23  -5.265   9.697   1.008
  185   3HZ   LYS  23          3HZ       LYS  23  -5.335   9.756  -0.622
  186    H    THR  24           H        THR  24  -2.080   7.203   5.202
  187    HA   THR  24           HA       THR  24  -0.090   7.352   7.323
  188    HB   THR  24           HB       THR  24  -1.995   7.458   8.762
  189    HG1  THR  24           HG1      THR  24  -3.319   6.287   6.416
  190   1HG2  THR  24          1HG2      THR  24  -3.387   8.431   6.251
  191   2HG2  THR  24          2HG2      THR  24  -3.378   9.154   7.877
  192   3HG2  THR  24          3HG2      THR  24  -1.948   9.306   6.829
  193    H    ASN  25           H        ASN  25  -1.881   4.980   5.392
  194    HA   ASN  25           HA       ASN  25  -0.252   2.927   6.457
  195   1HB   ASN  25          1HB       ASN  25  -2.198   3.216   8.158
  196   2HB   ASN  25          2HB       ASN  25  -3.264   2.639   6.893
  197   1HD2  ASN  25          1HD2      ASN  25  -3.584   1.041   8.700
  198   2HD2  ASN  25          2HD2      ASN  25  -2.638  -0.409   8.656
  199    H    GLY  26           H        GLY  26  -0.756   0.803   5.258
  200   1HA   GLY  26          1HA       GLY  26  -2.497   1.168   2.912
  201   2HA   GLY  26          2HA       GLY  26  -0.824   0.694   2.693
  202    H    ARG  27           H        ARG  27  -3.049  -0.924   1.872
  203    HA   ARG  27           HA       ARG  27  -2.539  -3.235   3.481
  204   1HB   ARG  27          1HB       ARG  27  -5.015  -3.729   3.733
  205   2HB   ARG  27          2HB       ARG  27  -4.475  -2.352   4.673
  206   1HG   ARG  27          1HG       ARG  27  -5.204  -0.872   2.686
  207   2HG   ARG  27          2HG       ARG  27  -5.972  -2.298   2.016
  208   1HD   ARG  27          1HD       ARG  27  -7.522  -2.468   3.835
  209   2HD   ARG  27          2HD       ARG  27  -6.564  -1.426   4.869
  210    HE   ARG  27           HE       ARG  27  -7.491  -0.115   2.408
  211   1HH1  ARG  27          1HH1      ARG  27  -8.655  -1.133   5.551
  212   2HH1  ARG  27          2HH1      ARG  27  -9.546   0.323   5.847
  213   1HH2  ARG  27          1HH2      ARG  27  -8.607   1.862   2.821
  214   2HH2  ARG  27          2HH2      ARG  27  -9.615   1.985   4.225
  215    H    CYS  28           H        CYS  28  -3.029  -5.236   2.309
  216    HA   CYS  28           HA       CYS  28  -2.767  -4.665  -0.507
  217   1HB   CYS  28          1HB       CYS  28  -1.273  -6.214   0.953
  218   2HB   CYS  28          2HB       CYS  28  -2.549  -7.394   0.735
  219    H    VAL  29           H        VAL  29  -4.756  -4.410  -1.519
  220    HA   VAL  29           HA       VAL  29  -6.869  -6.304  -0.812
  221    HB   VAL  29           HB       VAL  29  -6.873  -3.713  -2.371
  222   1HG1  VAL  29          1HG1      VAL  29  -8.557  -5.114  -3.341
  223   2HG1  VAL  29          2HG1      VAL  29  -9.128  -5.641  -1.740
  224   3HG1  VAL  29          3HG1      VAL  29  -9.379  -3.958  -2.266
  225   1HG2  VAL  29          1HG2      VAL  29  -8.009  -4.416   0.357
  226   2HG2  VAL  29          2HG2      VAL  29  -6.573  -3.413   0.043
  227   3HG2  VAL  29          3HG2      VAL  29  -8.182  -2.851  -0.472
  228    H    ASN  30           H        ASN  30  -6.808  -8.176  -1.956
  229    HA   ASN  30           HA       ASN  30  -6.878  -9.521  -3.652
  230   1HB   ASN  30          1HB       ASN  30  -7.345  -7.037  -5.386
  231   2HB   ASN  30          2HB       ASN  30  -7.721  -8.686  -5.846
  232   1HD2  ASN  30          1HD2      ASN  30  -9.586  -6.640  -5.840
  233   2HD2  ASN  30          2HD2      ASN  30 -10.792  -6.921  -4.629
  234    H    GLY  31           H        GLY  31  -4.292  -8.258  -2.873
  235   1HA   GLY  31          1HA       GLY  31  -2.209  -8.910  -3.545
  236   2HA   GLY  31          2HA       GLY  31  -2.826  -9.311  -5.135
  237    H    PHE  32           H        PHE  32  -3.918  -6.208  -4.088
  238    HA   PHE  32           HA       PHE  32  -1.579  -4.882  -5.235
  239   1HB   PHE  32          1HB       PHE  32  -4.559  -4.542  -5.917
  240   2HB   PHE  32          2HB       PHE  32  -3.342  -3.385  -6.419
  241    HD1  PHE  32           HD1      PHE  32  -1.340  -4.385  -7.793
  242    HD2  PHE  32           HD2      PHE  32  -5.104  -6.290  -7.337
  243    HE1  PHE  32           HE1      PHE  32  -0.905  -5.739  -9.861
  244    HE2  PHE  32           HE2      PHE  32  -4.670  -7.644  -9.404
  245    HZ   PHE  32           HZ       PHE  32  -2.575  -7.353 -10.642
  246    H    CYS  33           H        CYS  33  -1.294  -2.662  -4.513
  247    HA   CYS  33           HA       CYS  33  -1.896  -2.644  -1.755
  248   1HB   CYS  33          1HB       CYS  33  -0.459  -0.672  -3.536
  249   2HB   CYS  33          2HB       CYS  33  -0.629  -0.462  -1.804
  250    H    ASP  34           H        ASP  34  -3.440  -1.397  -0.633
  251    HA   ASP  34           HA       ASP  34  -4.705   0.701  -2.214
  252   1HB   ASP  34          1HB       ASP  34  -6.342  -1.058  -1.687
  253   2HB   ASP  34          2HB       ASP  34  -5.876  -1.039   0.003
  254    HD2  ASP  34           HD2      ASP  34  -8.400   1.171   0.658
  255    H    CYS  35           H        CYS  35  -4.267   2.750  -1.351
  256    HA   CYS  35           HA       CYS  35  -2.948   2.722   1.256
  257   1HB   CYS  35          1HB       CYS  35  -2.724   4.773  -0.957
  258   2HB   CYS  35          2HB       CYS  35  -1.814   4.750   0.541
  259    H    PHE  36           H        PHE  36  -3.638   4.202   2.880
  260    HA   PHE  36           HA       PHE  36  -5.655   6.139   2.269
  261   1HB   PHE  36          1HB       PHE  36  -7.360   5.049   3.729
  262   2HB   PHE  36          2HB       PHE  36  -6.916   3.946   2.441
  263    HD1  PHE  36           HD1      PHE  36  -5.239   2.109   2.957
  264    HD2  PHE  36           HD2      PHE  36  -7.084   4.440   5.985
  265    HE1  PHE  36           HE1      PHE  36  -4.661   0.357   4.657
  266    HE2  PHE  36           HE2      PHE  36  -6.505   2.688   7.687
  267    HZ   PHE  36           HZ       PHE  36  -5.300   0.668   7.002
  Start of MODEL    2
    1   1H    ARG   1          1H        ARG   1  -6.583   4.468  -1.362
    2   2H    ARG   1          2H        ARG   1  -8.143   4.940  -1.073
    3   3H    ARG   1          3H        ARG   1  -7.685   3.376  -0.783
    4    HA   ARG   1           HA       ARG   1  -8.882   3.325  -2.661
    5   1HB   ARG   1          1HB       ARG   1  -7.519   5.899  -3.163
    6   2HB   ARG   1          2HB       ARG   1  -7.546   4.884  -4.590
    7   1HG   ARG   1          1HG       ARG   1  -9.572   6.185  -4.650
    8   2HG   ARG   1          2HG       ARG   1 -10.050   4.555  -4.216
    9   1HD   ARG   1          1HD       ARG   1 -10.229   5.158  -1.850
   10   2HD   ARG   1          2HD       ARG   1  -9.514   6.731  -2.140
   11    HE   ARG   1           HE       ARG   1 -11.562   7.502  -3.028
   12   1HH1  ARG   1          1HH1      ARG   1 -11.643   3.995  -2.791
   13   2HH1  ARG   1          2HH1      ARG   1 -13.370   3.898  -2.892
   14   1HH2  ARG   1          1HH2      ARG   1 -13.841   7.376  -3.191
   15   2HH2  ARG   1          2HH2      ARG   1 -14.622   5.830  -3.190
   16    HA   PRO   2           HA       PRO   2  -5.958   0.571  -4.190
   17   1HB   PRO   2          1HB       PRO   2  -7.014  -0.231  -6.580
   18   2HB   PRO   2          2HB       PRO   2  -7.599  -0.809  -5.032
   19   1HG   PRO   2          1HG       PRO   2  -8.836   1.153  -6.865
   20   2HG   PRO   2          2HG       PRO   2  -9.577   0.255  -5.554
   21   1HD   PRO   2          1HD       PRO   2  -8.799   3.016  -5.520
   22   2HD   PRO   2          2HD       PRO   2  -9.431   2.087  -4.174
   23    H    THR   3           H        THR   3  -4.070   0.172  -5.368
   24    HA   THR   3           HA       THR   3  -3.654   2.131  -7.524
   25    HB   THR   3           HB       THR   3  -1.382   2.479  -6.701
   26    HG1  THR   3           HG1      THR   3  -0.675   1.113  -4.924
   27   1HG2  THR   3          1HG2      THR   3  -3.277   3.628  -5.350
   28   2HG2  THR   3          2HG2      THR   3  -3.074   2.317  -4.163
   29   3HG2  THR   3          3HG2      THR   3  -1.725   3.426  -4.504
   30    H    ASP   4           H        ASP   4  -1.081   1.137  -8.266
   31    HA   ASP   4           HA       ASP   4  -2.064  -1.322  -9.476
   32   1HB   ASP   4          1HB       ASP   4  -0.586  -0.783 -11.375
   33   2HB   ASP   4          2HB       ASP   4  -1.668   0.555 -11.047
   34    HD2  ASP   4           HD2      ASP   4   0.394   0.864 -12.451
   35    H    ILE   5           H        ILE   5  -0.221  -0.402  -6.952
   36    HA   ILE   5           HA       ILE   5   2.260  -1.703  -7.600
   37    HB   ILE   5           HB       ILE   5   1.191  -0.503  -5.043
   38   1HG1  ILE   5          1HG1      ILE   5   3.202   0.598  -7.027
   39   2HG1  ILE   5          2HG1      ILE   5   1.518   1.077  -6.947
   40   1HG2  ILE   5          1HG2      ILE   5   3.449  -0.641  -4.179
   41   2HG2  ILE   5          2HG2      ILE   5   2.868  -2.265  -4.621
   42   3HG2  ILE   5          3HG2      ILE   5   4.011  -1.410  -5.683
   43   1HD1  ILE   5          1HD1      ILE   5   1.943   1.636  -4.456
   44   2HD1  ILE   5          2HD1      ILE   5   3.673   1.474  -4.838
   45   3HD1  ILE   5          3HD1      ILE   5   2.694   2.712  -5.659
   46    H    LYS   6           H        LYS   6   2.382  -3.877  -7.716
   47    HA   LYS   6           HA       LYS   6   0.401  -5.514  -6.526
   48   1HB   LYS   6          1HB       LYS   6   1.537  -7.319  -7.554
   49   2HB   LYS   6          2HB       LYS   6   1.650  -5.970  -8.667
   50   1HG   LYS   6          1HG       LYS   6   3.944  -5.443  -7.666
   51   2HG   LYS   6          2HG       LYS   6   3.823  -6.934  -6.752
   52   1HD   LYS   6          1HD       LYS   6   3.563  -8.216  -8.894
   53   2HD   LYS   6          2HD       LYS   6   3.709  -6.723  -9.799
   54   1HE   LYS   6          1HE       LYS   6   5.993  -6.363  -8.836
   55   2HE   LYS   6          2HE       LYS   6   5.848  -7.856  -7.931
   56   1HZ   LYS   6          1HZ       LYS   6   7.018  -8.187  -9.986
   57   2HZ   LYS   6          2HZ       LYS   6   5.618  -9.027 -10.017
   58   3HZ   LYS   6          3HZ       LYS   6   5.755  -7.635 -10.861
   59    H    CYS   7           H        CYS   7   0.750  -7.184  -4.879
   60    HA   CYS   7           HA       CYS   7   3.056  -6.974  -3.227
   61   1HB   CYS   7          1HB       CYS   7   1.762  -6.319  -1.171
   62   2HB   CYS   7          2HB       CYS   7   2.117  -5.036  -2.311
   63    H    SER   8           H        SER   8   3.027  -8.731  -1.598
   64    HA   SER   8           HA       SER   8   0.932 -10.663  -2.091
   65   1HB   SER   8          1HB       SER   8   2.353 -12.226  -0.825
   66   2HB   SER   8          2HB       SER   8   3.276 -11.456  -2.101
   67    HG   SER   8           HG       SER   8   3.454 -11.122   0.724
   68    H    GLU   9           H        GLU   9   1.985  -8.218   0.212
   69    HA   GLU   9           HA       GLU   9   0.068  -9.129   2.147
   70   1HB   GLU   9          1HB       GLU   9   3.040  -9.416   2.489
   71   2HB   GLU   9          2HB       GLU   9   2.120  -8.892   3.886
   72   1HG   GLU   9          1HG       GLU   9   1.468 -11.378   2.233
   73   2HG   GLU   9          2HG       GLU   9   2.383 -11.401   3.728
   74    HE2  GLU   9           HE2      GLU   9  -1.433 -11.643   4.068
   75    H    SER  10           H        SER  10   0.147  -7.526   4.160
   76    HA   SER  10           HA       SER  10  -0.381  -5.129   2.721
   77   1HB   SER  10          1HB       SER  10  -0.931  -6.033   5.574
   78   2HB   SER  10          2HB       SER  10  -1.352  -4.428   5.011
   79    HG   SER  10           HG       SER  10  -2.307  -6.944   3.939
   80    H    TYR  11           H        TYR  11   1.955  -6.331   5.119
   81    HA   TYR  11           HA       TYR  11   2.785  -3.782   6.042
   82   1HB   TYR  11          1HB       TYR  11   4.446  -5.175   7.182
   83   2HB   TYR  11          2HB       TYR  11   3.001  -6.162   7.087
   84    HD1  TYR  11           HD1      TYR  11   6.321  -5.569   5.523
   85    HD2  TYR  11           HD2      TYR  11   2.994  -8.231   5.904
   86    HE1  TYR  11           HE1      TYR  11   7.639  -7.397   4.345
   87    HE2  TYR  11           HE2      TYR  11   4.323 -10.050   4.727
   88    HH   TYR  11           HH       TYR  11   7.663  -9.444   3.670
   89    H    GLN  12           H        GLN  12   3.292  -5.496   3.083
   90    HA   GLN  12           HA       GLN  12   5.812  -4.338   2.520
   91   1HB   GLN  12          1HB       GLN  12   3.693  -5.544   0.689
   92   2HB   GLN  12          2HB       GLN  12   5.302  -5.085   0.168
   93   1HG   GLN  12          1HG       GLN  12   6.344  -6.731   1.606
   94   2HG   GLN  12          2HG       GLN  12   4.853  -7.019   2.479
   95   1HE2  GLN  12          1HE2      GLN  12   6.064  -9.161   1.573
   96   2HE2  GLN  12          2HE2      GLN  12   5.229  -9.872   0.231
   97    H    CYS  13           H        CYS  13   2.441  -3.308   2.378
   98    HA   CYS  13           HA       CYS  13   2.946  -1.426   0.262
   99   1HB   CYS  13          1HB       CYS  13   0.449  -1.980   1.881
  100   2HB   CYS  13          2HB       CYS  13   0.546  -0.879   0.520
  101    H    PHE  14           H        PHE  14   2.588  -1.556   3.831
  102    HA   PHE  14           HA       PHE  14   1.412   0.916   4.158
  103   1HB   PHE  14          1HB       PHE  14   1.344  -0.320   6.135
  104   2HB   PHE  14          2HB       PHE  14   2.796  -1.206   5.716
  105    HD1  PHE  14           HD1      PHE  14   4.490  -1.013   7.250
  106    HD2  PHE  14           HD2      PHE  14   1.965   2.335   6.603
  107    HE1  PHE  14           HE1      PHE  14   5.782   0.291   8.962
  108    HE2  PHE  14           HE2      PHE  14   3.255   3.639   8.315
  109    HZ   PHE  14           HZ       PHE  14   5.148   2.602   9.475
  110    HA   PRO  15           HA       PRO  15   5.810   2.563   4.833
  111   1HB   PRO  15          1HB       PRO  15   7.948   1.101   3.961
  112   2HB   PRO  15          2HB       PRO  15   7.377   1.069   5.617
  113   1HG   PRO  15          1HG       PRO  15   7.046  -0.970   3.502
  114   2HG   PRO  15          2HG       PRO  15   6.870  -1.148   5.237
  115   1HD   PRO  15          1HD       PRO  15   4.756  -0.955   3.308
  116   2HD   PRO  15          2HD       PRO  15   4.582  -1.017   5.051
  117    H    VAL  16           H        VAL  16   5.179   0.787   1.928
  118    HA   VAL  16           HA       VAL  16   6.699   2.491   0.262
  119    HB   VAL  16           HB       VAL  16   5.055   0.150   0.065
  120   1HG1  VAL  16          1HG1      VAL  16   4.082   0.553  -2.184
  121   2HG1  VAL  16          2HG1      VAL  16   3.335   1.556  -0.917
  122   3HG1  VAL  16          3HG1      VAL  16   4.517   2.273  -2.038
  123   1HG2  VAL  16          1HG2      VAL  16   7.418   0.307  -0.587
  124   2HG2  VAL  16          2HG2      VAL  16   6.409  -0.246  -1.946
  125   3HG2  VAL  16          3HG2      VAL  16   6.988   1.437  -1.894
  126    H    CYS  17           H        CYS  17   3.382   2.531   1.583
  127    HA   CYS  17           HA       CYS  17   2.476   4.500  -0.249
  128   1HB   CYS  17          1HB       CYS  17   1.313   3.504   2.359
  129   2HB   CYS  17          2HB       CYS  17   0.509   4.626   1.278
  130    H    LYS  18           H        LYS  18   3.849   4.382   3.072
  131    HA   LYS  18           HA       LYS  18   3.381   7.105   3.655
  132   1HB   LYS  18          1HB       LYS  18   3.731   5.354   5.361
  133   2HB   LYS  18          2HB       LYS  18   5.389   5.160   4.831
  134   1HG   LYS  18          1HG       LYS  18   4.596   7.972   5.438
  135   2HG   LYS  18          2HG       LYS  18   4.580   6.894   6.819
  136   1HD   LYS  18          1HD       LYS  18   6.922   6.221   6.366
  137   2HD   LYS  18          2HD       LYS  18   6.948   7.200   4.912
  138   1HE   LYS  18          1HE       LYS  18   6.549   9.256   6.291
  139   2HE   LYS  18          2HE       LYS  18   6.532   8.275   7.744
  140   1HZ   LYS  18          1HZ       LYS  18   8.801   8.517   5.891
  141   2HZ   LYS  18          2HZ       LYS  18   8.686   9.229   7.356
  142   3HZ   LYS  18          3HZ       LYS  18   8.785   7.603   7.245
  143    H    SER  19           H        SER  19   6.001   5.280   2.037
  144    HA   SER  19           HA       SER  19   7.790   7.447   2.074
  145   1HB   SER  19          1HB       SER  19   8.580   5.136   1.853
  146   2HB   SER  19          2HB       SER  19   7.677   4.923   0.366
  147    HG   SER  19           HG       SER  19   9.914   6.711   0.795
  148    H    ARG  20           H        ARG  20   5.424   6.117  -0.323
  149    HA   ARG  20           HA       ARG  20   6.520   7.791  -2.345
  150   1HB   ARG  20          1HB       ARG  20   5.720   5.474  -2.836
  151   2HB   ARG  20          2HB       ARG  20   4.092   5.927  -2.370
  152   1HG   ARG  20          1HG       ARG  20   4.190   6.045  -4.784
  153   2HG   ARG  20          2HG       ARG  20   4.126   7.696  -4.196
  154   1HD   ARG  20          1HD       ARG  20   6.515   8.006  -4.536
  155   2HD   ARG  20          2HD       ARG  20   6.764   6.294  -4.818
  156    HE   ARG  20           HE       ARG  20   4.853   7.242  -6.723
  157   1HH1  ARG  20          1HH1      ARG  20   8.270   7.587  -5.956
  158   2HH1  ARG  20          2HH1      ARG  20   8.738   7.894  -7.595
  159   1HH2  ARG  20          1HH2      ARG  20   5.469   7.646  -8.885
  160   2HH2  ARG  20          2HH2      ARG  20   7.133   7.934  -9.272
  161    H    PHE  21           H        PHE  21   3.261   7.370  -0.755
  162    HA   PHE  21           HA       PHE  21   2.384   9.746  -2.193
  163   1HB   PHE  21          1HB       PHE  21   0.906   7.631  -0.513
  164   2HB   PHE  21          2HB       PHE  21   0.127   8.828  -1.527
  165    HD1  PHE  21           HD1      PHE  21   0.798   5.512  -1.386
  166    HD2  PHE  21           HD2      PHE  21   1.314   8.769  -4.056
  167    HE1  PHE  21           HE1      PHE  21   0.862   3.915  -3.320
  168    HE2  PHE  21           HE2      PHE  21   1.380   7.172  -5.991
  169    HZ   PHE  21           HZ       PHE  21   1.154   4.764  -5.600
  170    H    GLY  22           H        GLY  22   3.354   8.662   0.975
  171   1HA   GLY  22          1HA       GLY  22   3.562   9.877   2.888
  172   2HA   GLY  22          2HA       GLY  22   2.741  11.229   2.134
  173    H    LYS  23           H        LYS  23   1.278   8.006   1.966
  174    HA   LYS  23           HA       LYS  23  -0.949   9.027   3.513
  175   1HB   LYS  23          1HB       LYS  23  -0.537   6.659   1.688
  176   2HB   LYS  23          2HB       LYS  23  -1.947   6.775   2.723
  177   1HG   LYS  23          1HG       LYS  23  -2.557   8.952   1.718
  178   2HG   LYS  23          2HG       LYS  23  -1.092   8.951   0.755
  179   1HD   LYS  23          1HD       LYS  23  -1.838   6.971  -0.491
  180   2HD   LYS  23          2HD       LYS  23  -3.224   6.772   0.564
  181   1HE   LYS  23          1HE       LYS  23  -4.116   8.988  -0.191
  182   2HE   LYS  23          2HE       LYS  23  -2.731   9.188  -1.244
  183   1HZ   LYS  23          1HZ       LYS  23  -4.622   8.290  -2.407
  184   2HZ   LYS  23          2HZ       LYS  23  -3.398   7.209  -2.417
  185   3HZ   LYS  23          3HZ       LYS  23  -4.673   6.990  -1.421
  186    H    THR  24           H        THR  24  -2.002   7.491   5.158
  187    HA   THR  24           HA       THR  24   0.092   7.330   7.107
  188    HB   THR  24           HB       THR  24  -2.004   6.823   8.568
  189    HG1  THR  24           HG1      THR  24  -3.970   7.008   7.356
  190   1HG2  THR  24          1HG2      THR  24  -2.912   9.107   8.370
  191   2HG2  THR  24          2HG2      THR  24  -1.141   9.184   8.216
  192   3HG2  THR  24          3HG2      THR  24  -2.165   9.294   6.764
  193    H    ASN  25           H        ASN  25  -2.008   5.017   5.356
  194    HA   ASN  25           HA       ASN  25  -0.173   2.959   6.045
  195   1HB   ASN  25          1HB       ASN  25  -1.889   3.125   8.004
  196   2HB   ASN  25          2HB       ASN  25  -3.089   2.552   6.863
  197   1HD2  ASN  25          1HD2      ASN  25  -0.064   1.818   8.489
  198   2HD2  ASN  25          2HD2      ASN  25  -0.135   0.092   8.357
  199    H    GLY  26           H        GLY  26  -0.869   0.849   4.861
  200   1HA   GLY  26          1HA       GLY  26  -3.054   1.160   2.952
  201   2HA   GLY  26          2HA       GLY  26  -1.444   0.978   2.283
  202    H    ARG  27           H        ARG  27  -3.742  -0.884   2.065
  203    HA   ARG  27           HA       ARG  27  -2.508  -3.151   3.404
  204   1HB   ARG  27          1HB       ARG  27  -5.489  -2.512   3.166
  205   2HB   ARG  27          2HB       ARG  27  -4.893  -4.095   3.625
  206   1HG   ARG  27          1HG       ARG  27  -3.630  -3.013   5.538
  207   2HG   ARG  27          2HG       ARG  27  -4.361  -1.479   5.110
  208   1HD   ARG  27          1HD       ARG  27  -5.982  -3.978   5.791
  209   2HD   ARG  27          2HD       ARG  27  -5.559  -2.751   6.969
  210    HE   ARG  27           HE       ARG  27  -6.752  -1.422   4.754
  211   1HH1  ARG  27          1HH1      ARG  27  -7.652  -3.677   7.301
  212   2HH1  ARG  27          2HH1      ARG  27  -9.315  -3.192   7.319
  213   1HH2  ARG  27          1HH2      ARG  27  -8.944  -0.774   4.784
  214   2HH2  ARG  27          2HH2      ARG  27 -10.052  -1.523   5.884
  215    H    CYS  28           H        CYS  28  -2.918  -5.266   2.267
  216    HA   CYS  28           HA       CYS  28  -2.663  -4.707  -0.548
  217   1HB   CYS  28          1HB       CYS  28  -1.072  -6.145   0.832
  218   2HB   CYS  28          2HB       CYS  28  -2.322  -7.373   0.824
  219    H    VAL  29           H        VAL  29  -4.735  -4.415  -1.431
  220    HA   VAL  29           HA       VAL  29  -6.779  -6.369  -0.725
  221    HB   VAL  29           HB       VAL  29  -6.853  -3.770  -2.268
  222   1HG1  VAL  29          1HG1      VAL  29  -9.072  -5.717  -1.574
  223   2HG1  VAL  29          2HG1      VAL  29  -9.351  -4.036  -2.089
  224   3HG1  VAL  29          3HG1      VAL  29  -8.554  -5.184  -3.192
  225   1HG2  VAL  29          1HG2      VAL  29  -6.482  -3.460   0.124
  226   2HG2  VAL  29          2HG2      VAL  29  -8.125  -2.941  -0.321
  227   3HG2  VAL  29          3HG2      VAL  29  -7.876  -4.504   0.496
  228    H    ASN  30           H        ASN  30  -6.728  -8.236  -1.879
  229    HA   ASN  30           HA       ASN  30  -6.845  -9.572  -3.582
  230   1HB   ASN  30          1HB       ASN  30  -7.402  -7.082  -5.279
  231   2HB   ASN  30          2HB       ASN  30  -7.775  -8.731  -5.739
  232   1HD2  ASN  30          1HD2      ASN  30  -9.665  -6.714  -5.653
  233   2HD2  ASN  30          2HD2      ASN  30 -10.824  -7.019  -4.401
  234    H    GLY  31           H        GLY  31  -4.241  -8.330  -2.886
  235   1HA   GLY  31          1HA       GLY  31  -2.192  -8.996  -3.650
  236   2HA   GLY  31          2HA       GLY  31  -2.871  -9.345  -5.227
  237    H    PHE  32           H        PHE  32  -3.898  -6.261  -4.080
  238    HA   PHE  32           HA       PHE  32  -1.557  -4.921  -5.188
  239   1HB   PHE  32          1HB       PHE  32  -4.504  -4.740  -6.004
  240   2HB   PHE  32          2HB       PHE  32  -3.437  -3.377  -6.279
  241    HD1  PHE  32           HD1      PHE  32  -4.552  -6.547  -7.506
  242    HD2  PHE  32           HD2      PHE  32  -1.379  -3.739  -7.733
  243    HE1  PHE  32           HE1      PHE  32  -3.799  -7.573  -9.669
  244    HE2  PHE  32           HE2      PHE  32  -0.626  -4.764  -9.896
  245    HZ   PHE  32           HZ       PHE  32  -1.845  -6.668 -10.839
  246    H    CYS  33           H        CYS  33  -1.258  -2.740  -4.398
  247    HA   CYS  33           HA       CYS  33  -2.003  -2.708  -1.677
  248   1HB   CYS  33          1HB       CYS  33  -0.490  -0.708  -3.366
  249   2HB   CYS  33          2HB       CYS  33  -0.701  -0.572  -1.632
  250    H    ASP  34           H        ASP  34  -3.474  -1.304  -0.596
  251    HA   ASP  34           HA       ASP  34  -4.773   0.655  -2.318
  252   1HB   ASP  34          1HB       ASP  34  -6.289  -1.271  -1.705
  253   2HB   ASP  34          2HB       ASP  34  -6.044  -0.894  -0.012
  254    HD2  ASP  34           HD2      ASP  34  -8.975   0.845  -1.814
  255    H    CYS  35           H        CYS  35  -4.238   2.720  -1.529
  256    HA   CYS  35           HA       CYS  35  -3.026   2.698   1.130
  257   1HB   CYS  35          1HB       CYS  35  -2.487   4.482  -1.253
  258   2HB   CYS  35          2HB       CYS  35  -1.732   4.654   0.319
  259    H    PHE  36           H        PHE  36  -3.592   4.360   2.634
  260    HA   PHE  36           HA       PHE  36  -5.394   6.435   1.825
  261   1HB   PHE  36          1HB       PHE  36  -7.113   5.583   3.563
  262   2HB   PHE  36          2HB       PHE  36  -7.008   4.616   2.105
  263    HD1  PHE  36           HD1      PHE  36  -6.121   4.756   5.672
  264    HD2  PHE  36           HD2      PHE  36  -6.197   2.360   2.170
  265    HE1  PHE  36           HE1      PHE  36  -5.664   2.714   7.058
  266    HE2  PHE  36           HE2      PHE  36  -5.740   0.319   3.557
  267    HZ   PHE  36           HZ       PHE  36  -5.479   0.520   5.983
  Start of MODEL    3
    1   1H    ARG   1          1H        ARG   1  -8.134   5.075  -1.313
    2   2H    ARG   1          2H        ARG   1  -7.446   3.597  -1.021
    3   3H    ARG   1          3H        ARG   1  -6.510   4.856  -1.552
    4    HA   ARG   1           HA       ARG   1  -8.690   3.619  -2.982
    5   1HB   ARG   1          1HB       ARG   1  -6.756   5.863  -3.650
    6   2HB   ARG   1          2HB       ARG   1  -7.420   4.892  -4.950
    7   1HG   ARG   1          1HG       ARG   1  -9.743   5.406  -4.103
    8   2HG   ARG   1          2HG       ARG   1  -9.042   6.440  -2.873
    9   1HD   ARG   1          1HD       ARG   1  -9.674   7.893  -4.693
   10   2HD   ARG   1          2HD       ARG   1  -7.927   7.776  -4.750
   11    HE   ARG   1           HE       ARG   1  -9.088   5.707  -6.385
   12   1HH1  ARG   1          1HH1      ARG   1  -8.652   9.197  -6.340
   13   2HH1  ARG   1          2HH1      ARG   1  -8.528   9.333  -8.063
   14   1HH2  ARG   1          1HH2      ARG   1  -8.924   5.885  -8.660
   15   2HH2  ARG   1          2HH2      ARG   1  -8.720   7.441  -9.393
   16    HA   PRO   2           HA       PRO   2  -5.717   0.652  -4.204
   17   1HB   PRO   2          1HB       PRO   2  -6.779  -0.260  -6.551
   18   2HB   PRO   2          2HB       PRO   2  -7.337  -0.791  -4.976
   19   1HG   PRO   2          1HG       PRO   2  -8.631   1.075  -6.869
   20   2HG   PRO   2          2HG       PRO   2  -9.342   0.214  -5.519
   21   1HD   PRO   2          1HD       PRO   2  -8.618   2.989  -5.596
   22   2HD   PRO   2          2HD       PRO   2  -9.220   2.100  -4.210
   23    H    THR   3           H        THR   3  -3.879   0.173  -5.476
   24    HA   THR   3           HA       THR   3  -3.473   2.172  -7.599
   25    HB   THR   3           HB       THR   3  -1.174   2.435  -6.832
   26    HG1  THR   3           HG1      THR   3  -0.431   0.973  -5.160
   27   1HG2  THR   3          1HG2      THR   3  -2.983   3.580  -5.374
   28   2HG2  THR   3          2HG2      THR   3  -2.795   2.211  -4.251
   29   3HG2  THR   3          3HG2      THR   3  -1.417   3.289  -4.580
   30    H    ASP   4           H        ASP   4  -0.947   1.114  -8.435
   31    HA   ASP   4           HA       ASP   4  -2.095  -1.154  -9.827
   32   1HB   ASP   4          1HB       ASP   4  -0.404  -0.687 -11.559
   33   2HB   ASP   4          2HB       ASP   4  -1.311   0.765 -11.190
   34    HD2  ASP   4           HD2      ASP   4  -0.364   2.307 -10.173
   35    H    ILE   5           H        ILE   5  -0.049  -0.444  -7.232
   36    HA   ILE   5           HA       ILE   5   2.200  -2.055  -7.973
   37    HB   ILE   5           HB       ILE   5   1.431  -0.641  -5.419
   38   1HG1  ILE   5          1HG1      ILE   5   3.555   0.102  -7.444
   39   2HG1  ILE   5          2HG1      ILE   5   1.920   0.728  -7.504
   40   1HG2  ILE   5          1HG2      ILE   5   4.035  -2.017  -6.134
   41   2HG2  ILE   5          2HG2      ILE   5   3.738  -1.021  -4.689
   42   3HG2  ILE   5          3HG2      ILE   5   2.859  -2.553  -4.910
   43   1HD1  ILE   5          1HD1      ILE   5   3.207   2.349  -6.286
   44   2HD1  ILE   5          2HD1      ILE   5   2.239   1.484  -5.068
   45   3HD1  ILE   5          3HD1      ILE   5   3.964   1.093  -5.277
   46    H    LYS   6           H        LYS   6   2.142  -4.234  -7.973
   47    HA   LYS   6           HA       LYS   6   0.115  -5.632  -6.553
   48   1HB   LYS   6          1HB       LYS   6   1.000  -7.577  -7.573
   49   2HB   LYS   6          2HB       LYS   6   1.119  -6.298  -8.764
   50   1HG   LYS   6          1HG       LYS   6   3.520  -5.938  -8.128
   51   2HG   LYS   6          2HG       LYS   6   3.398  -7.235  -6.956
   52   1HD   LYS   6          1HD       LYS   6   2.464  -8.017  -9.661
   53   2HD   LYS   6          2HD       LYS   6   4.148  -7.532  -9.626
   54   1HE   LYS   6          1HE       LYS   6   4.053  -9.924  -9.189
   55   2HE   LYS   6          2HE       LYS   6   4.533  -9.128  -7.704
   56   1HZ   LYS   6          1HZ       LYS   6   2.355  -9.334  -6.873
   57   2HZ   LYS   6          2HZ       LYS   6   1.747  -9.824  -8.307
   58   3HZ   LYS   6          3HZ       LYS   6   2.753 -10.801  -7.470
   59    H    CYS   7           H        CYS   7   0.542  -7.335  -4.908
   60    HA   CYS   7           HA       CYS   7   2.965  -7.137  -3.427
   61   1HB   CYS   7          1HB       CYS   7   1.746  -6.434  -1.299
   62   2HB   CYS   7          2HB       CYS   7   2.189  -5.188  -2.450
   63    H    SER   8           H        SER   8   3.002  -8.826  -1.725
   64    HA   SER   8           HA       SER   8   0.877 -10.765  -2.131
   65   1HB   SER   8          1HB       SER   8   2.442 -12.412  -1.177
   66   2HB   SER   8          2HB       SER   8   3.184 -11.563  -2.520
   67    HG   SER   8           HG       SER   8   4.397 -11.859  -0.338
   68    H    GLU   9           H        GLU   9   2.076  -8.369   0.063
   69    HA   GLU   9           HA       GLU   9   0.450  -9.406   2.192
   70   1HB   GLU   9          1HB       GLU   9   3.459  -9.397   2.246
   71   2HB   GLU   9          2HB       GLU   9   2.620  -8.959   3.722
   72   1HG   GLU   9          1HG       GLU   9   2.438 -11.190   4.123
   73   2HG   GLU   9          2HG       GLU   9   1.197 -11.207   2.886
   74    HE2  GLU   9           HE2      GLU   9   4.560 -11.279   3.265
   75    H    SER  10           H        SER  10   0.484  -7.764   4.130
   76    HA   SER  10           HA       SER  10  -0.293  -5.425   2.718
   77   1HB   SER  10          1HB       SER  10  -0.566  -6.300   5.622
   78   2HB   SER  10          2HB       SER  10  -1.169  -4.759   5.043
   79    HG   SER  10           HG       SER  10  -1.940  -7.358   4.013
   80    H    TYR  11           H        TYR  11   2.237  -6.411   5.039
   81    HA   TYR  11           HA       TYR  11   2.938  -3.742   5.765
   82   1HB   TYR  11          1HB       TYR  11   4.848  -5.047   6.838
   83   2HB   TYR  11          2HB       TYR  11   3.286  -5.745   7.219
   84    HD1  TYR  11           HD1      TYR  11   6.130  -6.078   4.806
   85    HD2  TYR  11           HD2      TYR  11   2.891  -8.020   6.817
   86    HE1  TYR  11           HE1      TYR  11   6.907  -8.325   3.904
   87    HE2  TYR  11           HE2      TYR  11   3.679 -10.260   5.909
   88    HH   TYR  11           HH       TYR  11   6.660 -10.485   4.007
   89    H    GLN  12           H        GLN  12   3.383  -5.525   2.903
   90    HA   GLN  12           HA       GLN  12   5.867  -4.355   2.210
   91   1HB   GLN  12          1HB       GLN  12   3.637  -5.529   0.494
   92   2HB   GLN  12          2HB       GLN  12   5.204  -5.048  -0.124
   93   1HG   GLN  12          1HG       GLN  12   6.350  -6.711   1.227
   94   2HG   GLN  12          2HG       GLN  12   4.904  -7.047   2.158
   95   1HE2  GLN  12          1HE2      GLN  12   6.018  -9.170   1.190
   96   2HE2  GLN  12          2HE2      GLN  12   5.144  -9.843  -0.146
   97    H    CYS  13           H        CYS  13   2.439  -3.397   2.129
   98    HA   CYS  13           HA       CYS  13   2.937  -1.414   0.105
   99   1HB   CYS  13          1HB       CYS  13   0.404  -2.068   1.626
  100   2HB   CYS  13          2HB       CYS  13   0.527  -0.978   0.259
  101    H    PHE  14           H        PHE  14   2.644  -1.724   3.642
  102    HA   PHE  14           HA       PHE  14   1.313   0.658   4.117
  103   1HB   PHE  14          1HB       PHE  14   1.320  -0.743   5.992
  104   2HB   PHE  14          2HB       PHE  14   2.856  -1.460   5.549
  105    HD1  PHE  14           HD1      PHE  14   4.529  -1.184   7.096
  106    HD2  PHE  14           HD2      PHE  14   1.651   1.905   6.662
  107    HE1  PHE  14           HE1      PHE  14   5.664   0.128   8.909
  108    HE2  PHE  14           HE2      PHE  14   2.786   3.218   8.475
  109    HZ   PHE  14           HZ       PHE  14   4.779   2.314   9.576
  110    HA   PRO  15           HA       PRO  15   5.645   2.497   4.750
  111   1HB   PRO  15          1HB       PRO  15   7.812   1.178   3.735
  112   2HB   PRO  15          2HB       PRO  15   7.320   1.064   5.413
  113   1HG   PRO  15          1HG       PRO  15   6.996  -0.922   3.247
  114   2HG   PRO  15          2HG       PRO  15   6.909  -1.164   4.981
  115   1HD   PRO  15          1HD       PRO  15   4.701  -1.020   3.155
  116   2HD   PRO  15          2HD       PRO  15   4.612  -1.146   4.901
  117    H    VAL  16           H        VAL  16   5.207   0.700   1.786
  118    HA   VAL  16           HA       VAL  16   6.404   2.521   0.077
  119    HB   VAL  16           HB       VAL  16   4.503   0.298  -0.057
  120   1HG1  VAL  16          1HG1      VAL  16   3.044   1.862  -1.150
  121   2HG1  VAL  16          2HG1      VAL  16   4.377   2.503  -2.138
  122   3HG1  VAL  16          3HG1      VAL  16   3.790   0.844  -2.406
  123   1HG2  VAL  16          1HG2      VAL  16   6.695   1.248  -1.934
  124   2HG2  VAL  16          2HG2      VAL  16   6.909   0.120  -0.575
  125   3HG2  VAL  16          3HG2      VAL  16   5.894  -0.341  -1.962
  126    H    CYS  17           H        CYS  17   3.158   2.484   1.617
  127    HA   CYS  17           HA       CYS  17   2.184   4.567  -0.048
  128   1HB   CYS  17          1HB       CYS  17   1.127   3.279   2.471
  129   2HB   CYS  17          2HB       CYS  17   0.293   4.580   1.645
  130    H    LYS  18           H        LYS  18   3.472   4.236   3.319
  131    HA   LYS  18           HA       LYS  18   2.821   6.849   4.099
  132   1HB   LYS  18          1HB       LYS  18   3.225   4.952   5.640
  133   2HB   LYS  18          2HB       LYS  18   4.924   4.967   5.211
  134   1HG   LYS  18          1HG       LYS  18   5.158   7.280   6.058
  135   2HG   LYS  18          2HG       LYS  18   3.440   7.362   6.392
  136   1HD   LYS  18          1HD       LYS  18   3.730   5.377   7.972
  137   2HD   LYS  18          2HD       LYS  18   5.461   5.501   7.726
  138   1HE   LYS  18          1HE       LYS  18   3.706   7.772   8.779
  139   2HE   LYS  18          2HE       LYS  18   4.651   6.702   9.796
  140   1HZ   LYS  18          1HZ       LYS  18   5.655   8.598   7.801
  141   2HZ   LYS  18          2HZ       LYS  18   5.945   8.587   9.408
  142   3HZ   LYS  18          3HZ       LYS  18   6.601   7.437   8.451
  143    H    SER  19           H        SER  19   5.615   5.402   2.411
  144    HA   SER  19           HA       SER  19   7.185   7.747   2.799
  145   1HB   SER  19          1HB       SER  19   7.612   5.278   1.057
  146   2HB   SER  19          2HB       SER  19   8.803   6.544   1.275
  147    HG   SER  19           HG       SER  19   8.894   6.059   3.533
  148    H    ARG  20           H        ARG  20   5.625   6.075  -0.065
  149    HA   ARG  20           HA       ARG  20   6.911   8.039  -1.688
  150   1HB   ARG  20          1HB       ARG  20   6.684   5.455  -2.124
  151   2HB   ARG  20          2HB       ARG  20   5.068   5.831  -2.689
  152   1HG   ARG  20          1HG       ARG  20   6.021   7.447  -4.346
  153   2HG   ARG  20          2HG       ARG  20   7.638   7.079  -3.777
  154   1HD   ARG  20          1HD       ARG  20   7.445   5.657  -5.647
  155   2HD   ARG  20          2HD       ARG  20   7.029   4.578  -4.330
  156    HE   ARG  20           HE       ARG  20   4.791   4.538  -5.071
  157   1HH1  ARG  20          1HH1      ARG  20   6.436   7.252  -6.579
  158   2HH1  ARG  20          2HH1      ARG  20   5.270   7.424  -7.848
  159   1HH2  ARG  20          1HH2      ARG  20   3.265   4.735  -6.773
  160   2HH2  ARG  20          2HH2      ARG  20   3.408   6.038  -7.904
  161    H    PHE  21           H        PHE  21   3.593   6.998  -0.765
  162    HA   PHE  21           HA       PHE  21   2.433   8.975  -2.541
  163   1HB   PHE  21          1HB       PHE  21   1.437   6.796  -0.623
  164   2HB   PHE  21          2HB       PHE  21   0.313   7.895  -1.397
  165    HD1  PHE  21           HD1      PHE  21  -0.366   7.567  -3.641
  166    HD2  PHE  21           HD2      PHE  21   2.829   5.267  -2.057
  167    HE1  PHE  21           HE1      PHE  21  -0.443   6.072  -5.656
  168    HE2  PHE  21           HE2      PHE  21   2.752   3.773  -4.072
  169    HZ   PHE  21           HZ       PHE  21   1.117   4.193  -5.848
  170    H    GLY  22           H        GLY  22   3.254   8.477   0.864
  171   1HA   GLY  22          1HA       GLY  22   3.414  10.098   2.462
  172   2HA   GLY  22          2HA       GLY  22   2.596  11.238   1.412
  173    H    LYS  23           H        LYS  23   1.393   7.949   2.239
  174    HA   LYS  23           HA       LYS  23  -1.020   9.236   3.245
  175   1HB   LYS  23          1HB       LYS  23  -0.563   7.088   1.510
  176   2HB   LYS  23          2HB       LYS  23  -1.105   6.335   2.996
  177   1HG   LYS  23          1HG       LYS  23  -3.122   6.812   1.837
  178   2HG   LYS  23          2HG       LYS  23  -3.007   8.101   3.020
  179   1HD   LYS  23          1HD       LYS  23  -2.079   9.638   1.325
  180   2HD   LYS  23          2HD       LYS  23  -2.027   8.350   0.137
  181   1HE   LYS  23          1HE       LYS  23  -4.022   9.692  -0.281
  182   2HE   LYS  23          2HE       LYS  23  -4.534   8.123   0.311
  183   1HZ   LYS  23          1HZ       LYS  23  -4.166  10.420   2.096
  184   2HZ   LYS  23          2HZ       LYS  23  -5.590  10.095   1.367
  185   3HZ   LYS  23          3HZ       LYS  23  -4.947   9.021   2.415
  186    H    THR  24           H        THR  24  -2.060   7.321   4.938
  187    HA   THR  24           HA       THR  24  -0.213   7.663   7.189
  188    HB   THR  24           HB       THR  24  -2.185   7.842   8.515
  189    HG1  THR  24           HG1      THR  24  -3.439   6.595   6.170
  190   1HG2  THR  24          1HG2      THR  24  -3.614   9.428   7.446
  191   2HG2  THR  24          2HG2      THR  24  -2.067   9.638   6.592
  192   3HG2  THR  24          3HG2      THR  24  -3.375   8.691   5.844
  193    H    ASN  25           H        ASN  25  -1.956   5.237   5.266
  194    HA   ASN  25           HA       ASN  25  -0.334   3.224   6.416
  195   1HB   ASN  25          1HB       ASN  25  -2.257   3.483   8.099
  196   2HB   ASN  25          2HB       ASN  25  -3.361   3.000   6.825
  197   1HD2  ASN  25          1HD2      ASN  25  -3.898   1.274   8.295
  198   2HD2  ASN  25          2HD2      ASN  25  -2.969  -0.189   8.294
  199    H    GLY  26           H        GLY  26  -0.728   1.097   5.226
  200   1HA   GLY  26          1HA       GLY  26  -2.517   1.276   2.914
  201   2HA   GLY  26          2HA       GLY  26  -0.802   1.086   2.608
  202    H    ARG  27           H        ARG  27  -3.117  -0.785   2.094
  203    HA   ARG  27           HA       ARG  27  -1.894  -3.049   3.399
  204   1HB   ARG  27          1HB       ARG  27  -4.882  -2.413   3.439
  205   2HB   ARG  27          2HB       ARG  27  -4.258  -4.016   3.773
  206   1HG   ARG  27          1HG       ARG  27  -2.798  -2.970   5.599
  207   2HG   ARG  27          2HG       ARG  27  -3.651  -1.463   5.333
  208   1HD   ARG  27          1HD       ARG  27  -4.737  -2.606   7.187
  209   2HD   ARG  27          2HD       ARG  27  -5.832  -2.659   5.820
  210    HE   ARG  27           HE       ARG  27  -5.597  -4.987   5.752
  211   1HH1  ARG  27          1HH1      ARG  27  -3.030  -3.619   7.731
  212   2HH1  ARG  27          2HH1      ARG  27  -2.390  -5.161   8.193
  213   1HH2  ARG  27          1HH2      ARG  27  -4.734  -7.022   6.336
  214   2HH2  ARG  27          2HH2      ARG  27  -3.376  -7.110   7.408
  215    H    CYS  28           H        CYS  28  -2.657  -5.178   2.299
  216    HA   CYS  28           HA       CYS  28  -2.531  -4.586  -0.532
  217   1HB   CYS  28          1HB       CYS  28  -0.901  -6.110   0.702
  218   2HB   CYS  28          2HB       CYS  28  -2.203  -7.279   0.788
  219    H    VAL  29           H        VAL  29  -4.609  -4.261  -1.341
  220    HA   VAL  29           HA       VAL  29  -6.706  -6.077  -0.438
  221    HB   VAL  29           HB       VAL  29  -6.750  -3.529  -2.066
  222   1HG1  VAL  29          1HG1      VAL  29  -8.577  -4.887  -2.820
  223   2HG1  VAL  29          2HG1      VAL  29  -9.012  -5.331  -1.152
  224   3HG1  VAL  29          3HG1      VAL  29  -9.239  -3.658  -1.716
  225   1HG2  VAL  29          1HG2      VAL  29  -6.204  -3.157   0.285
  226   2HG2  VAL  29          2HG2      VAL  29  -7.844  -2.567  -0.074
  227   3HG2  VAL  29          3HG2      VAL  29  -7.621  -4.110   0.785
  228    H    ASN  30           H        ASN  30  -6.786  -7.985  -1.527
  229    HA   ASN  30           HA       ASN  30  -7.075  -9.365  -3.171
  230   1HB   ASN  30          1HB       ASN  30  -7.654  -6.907  -4.909
  231   2HB   ASN  30          2HB       ASN  30  -8.123  -8.553  -5.285
  232   1HD2  ASN  30          1HD2      ASN  30  -9.917  -6.449  -5.131
  233   2HD2  ASN  30          2HD2      ASN  30 -10.997  -6.668  -3.794
  234    H    GLY  31           H        GLY  31  -4.383  -8.216  -2.699
  235   1HA   GLY  31          1HA       GLY  31  -2.430  -9.020  -3.583
  236   2HA   GLY  31          2HA       GLY  31  -3.233  -9.355  -5.105
  237    H    PHE  32           H        PHE  32  -4.037  -6.207  -3.981
  238    HA   PHE  32           HA       PHE  32  -1.705  -5.003  -5.255
  239   1HB   PHE  32          1HB       PHE  32  -4.685  -4.701  -5.908
  240   2HB   PHE  32          2HB       PHE  32  -3.564  -3.412  -6.299
  241    HD1  PHE  32           HD1      PHE  32  -4.925  -6.553  -7.334
  242    HD2  PHE  32           HD2      PHE  32  -1.617  -3.946  -7.851
  243    HE1  PHE  32           HE1      PHE  32  -4.362  -7.698  -9.495
  244    HE2  PHE  32           HE2      PHE  32  -1.053  -5.091 -10.012
  245    HZ   PHE  32           HZ       PHE  32  -2.432  -6.953 -10.809
  246    H    CYS  33           H        CYS  33  -1.295  -2.795  -4.569
  247    HA   CYS  33           HA       CYS  33  -1.849  -2.684  -1.801
  248   1HB   CYS  33          1HB       CYS  33  -0.335  -0.834  -3.649
  249   2HB   CYS  33          2HB       CYS  33  -0.469  -0.575  -1.921
  250    H    ASP  34           H        ASP  34  -3.123  -1.125  -0.654
  251    HA   ASP  34           HA       ASP  34  -4.472   0.824  -2.341
  252   1HB   ASP  34          1HB       ASP  34  -6.007  -1.084  -1.667
  253   2HB   ASP  34          2HB       ASP  34  -5.728  -0.667   0.012
  254    HD2  ASP  34           HD2      ASP  34  -8.672   1.059  -1.755
  255    H    CYS  35           H        CYS  35  -4.175   2.913  -1.502
  256    HA   CYS  35           HA       CYS  35  -2.862   3.000   1.107
  257   1HB   CYS  35          1HB       CYS  35  -2.737   4.984  -1.175
  258   2HB   CYS  35          2HB       CYS  35  -1.884   5.119   0.350
  259    H    PHE  36           H        PHE  36  -3.761   4.270   2.754
  260    HA   PHE  36           HA       PHE  36  -5.789   6.203   2.089
  261   1HB   PHE  36          1HB       PHE  36  -7.421   5.028   3.661
  262   2HB   PHE  36          2HB       PHE  36  -7.091   4.098   2.213
  263    HD1  PHE  36           HD1      PHE  36  -5.740   2.063   2.321
  264    HD2  PHE  36           HD2      PHE  36  -6.640   4.279   5.827
  265    HE1  PHE  36           HE1      PHE  36  -5.051   0.106   3.736
  266    HE2  PHE  36           HE2      PHE  36  -5.951   2.322   7.240
  267    HZ   PHE  36           HZ       PHE  36  -5.165   0.260   6.178
  Start of MODEL    4
    1   1H    ARG   1          1H        ARG   1  -6.687   4.526  -1.304
    2   2H    ARG   1          2H        ARG   1  -8.300   4.793  -1.044
    3   3H    ARG   1          3H        ARG   1  -7.669   3.276  -0.837
    4    HA   ARG   1           HA       ARG   1  -8.884   3.373  -2.776
    5   1HB   ARG   1          1HB       ARG   1  -7.112   5.771  -3.276
    6   2HB   ARG   1          2HB       ARG   1  -7.639   4.841  -4.663
    7   1HG   ARG   1          1HG       ARG   1 -10.024   5.104  -3.916
    8   2HG   ARG   1          2HG       ARG   1  -9.481   6.066  -2.555
    9   1HD   ARG   1          1HD       ARG   1  -8.486   7.739  -4.127
   10   2HD   ARG   1          2HD       ARG   1  -9.008   6.773  -5.493
   11    HE   ARG   1           HE       ARG   1 -11.284   7.276  -3.835
   12   1HH1  ARG   1          1HH1      ARG   1  -9.072   9.008  -5.954
   13   2HH1  ARG   1          2HH1      ARG   1 -10.236  10.213  -6.395
   14   1HH2  ARG   1          1HH2      ARG   1 -12.819   8.866  -4.415
   15   2HH2  ARG   1          2HH2      ARG   1 -12.379  10.135  -5.510
   16    HA   PRO   2           HA       PRO   2  -5.919   0.555  -4.196
   17   1HB   PRO   2          1HB       PRO   2  -6.912  -0.190  -6.631
   18   2HB   PRO   2          2HB       PRO   2  -7.537  -0.802  -5.113
   19   1HG   PRO   2          1HG       PRO   2  -8.723   1.203  -6.933
   20   2HG   PRO   2          2HG       PRO   2  -9.500   0.277  -5.663
   21   1HD   PRO   2          1HD       PRO   2  -8.719   3.035  -5.544
   22   2HD   PRO   2          2HD       PRO   2  -9.389   2.079  -4.238
   23    H    THR   3           H        THR   3  -4.123   0.022  -5.586
   24    HA   THR   3           HA       THR   3  -3.560   2.189  -7.485
   25    HB   THR   3           HB       THR   3  -1.331   2.450  -6.568
   26    HG1  THR   3           HG1      THR   3  -2.190   0.205  -4.879
   27   1HG2  THR   3          1HG2      THR   3  -1.691   3.054  -4.228
   28   2HG2  THR   3          2HG2      THR   3  -3.176   3.475  -5.113
   29   3HG2  THR   3          3HG2      THR   3  -3.118   1.996  -4.125
   30    H    ASP   4           H        ASP   4  -0.995   1.196  -8.243
   31    HA   ASP   4           HA       ASP   4  -1.987  -1.125  -9.685
   32   1HB   ASP   4          1HB       ASP   4  -0.350  -0.520 -11.425
   33   2HB   ASP   4          2HB       ASP   4  -1.381   0.850 -11.061
   34    HD2  ASP   4           HD2      ASP   4  -0.577   2.449  -9.991
   35    H    ILE   5           H        ILE   5  -0.185  -0.404  -7.010
   36    HA   ILE   5           HA       ILE   5   2.269  -1.739  -7.681
   37    HB   ILE   5           HB       ILE   5   1.219  -0.557  -5.110
   38   1HG1  ILE   5          1HG1      ILE   5   3.329   0.528  -6.993
   39   2HG1  ILE   5          2HG1      ILE   5   1.642   0.999  -7.060
   40   1HG2  ILE   5          1HG2      ILE   5   3.998  -1.582  -5.755
   41   2HG2  ILE   5          2HG2      ILE   5   3.502  -0.746  -4.264
   42   3HG2  ILE   5          3HG2      ILE   5   2.827  -2.347  -4.654
   43   1HD1  ILE   5          1HD1      ILE   5   1.853   1.574  -4.542
   44   2HD1  ILE   5          2HD1      ILE   5   3.611   1.428  -4.782
   45   3HD1  ILE   5          3HD1      ILE   5   2.686   2.650  -5.689
   46    H    LYS   6           H        LYS   6   2.537  -3.900  -7.658
   47    HA   LYS   6           HA       LYS   6   0.460  -5.543  -6.587
   48   1HB   LYS   6          1HB       LYS   6   3.102  -6.139  -7.940
   49   2HB   LYS   6          2HB       LYS   6   2.009  -7.388  -7.382
   50   1HG   LYS   6          1HG       LYS   6   0.198  -6.497  -8.819
   51   2HG   LYS   6          2HG       LYS   6   1.217  -5.162  -9.320
   52   1HD   LYS   6          1HD       LYS   6   2.829  -6.758 -10.353
   53   2HD   LYS   6          2HD       LYS   6   1.851  -8.110  -9.816
   54   1HE   LYS   6          1HE       LYS   6  -0.057  -7.305 -11.200
   55   2HE   LYS   6          2HE       LYS   6   0.878  -5.913 -11.705
   56   1HZ   LYS   6          1HZ       LYS   6   2.467  -7.411 -12.702
   57   2HZ   LYS   6          2HZ       LYS   6   1.605  -8.713 -12.223
   58   3HZ   LYS   6          3HZ       LYS   6   0.978  -7.675 -13.317
   59    H    CYS   7           H        CYS   7   0.668  -7.112  -4.881
   60    HA   CYS   7           HA       CYS   7   3.017  -7.039  -3.256
   61   1HB   CYS   7          1HB       CYS   7   1.735  -6.382  -1.185
   62   2HB   CYS   7          2HB       CYS   7   2.156  -5.094  -2.295
   63    H    SER   8           H        SER   8   2.918  -8.805  -1.625
   64    HA   SER   8           HA       SER   8   0.741 -10.646  -2.135
   65   1HB   SER   8          1HB       SER   8   2.112 -12.297  -0.927
   66   2HB   SER   8          2HB       SER   8   3.047 -11.544  -2.205
   67    HG   SER   8           HG       SER   8   3.905 -11.769   0.187
   68    H    GLU   9           H        GLU   9   1.903  -8.265   0.164
   69    HA   GLU   9           HA       GLU   9   0.044  -9.175   2.156
   70   1HB   GLU   9          1HB       GLU   9   3.048  -9.380   2.455
   71   2HB   GLU   9          2HB       GLU   9   2.060  -9.066   3.868
   72   1HG   GLU   9          1HG       GLU   9   1.651 -11.415   1.955
   73   2HG   GLU   9          2HG       GLU   9   2.489 -11.517   3.491
   74    HE2  GLU   9           HE2      GLU   9  -1.307 -12.063   3.593
   75    H    SER  10           H        SER  10   0.196  -7.593   4.176
   76    HA   SER  10           HA       SER  10  -0.367  -5.190   2.762
   77   1HB   SER  10          1HB       SER  10  -0.861  -6.138   5.609
   78   2HB   SER  10          2HB       SER  10  -1.254  -4.506   5.108
   79    HG   SER  10           HG       SER  10  -3.075  -5.973   4.913
   80    H    TYR  11           H        TYR  11   2.038  -6.406   5.080
   81    HA   TYR  11           HA       TYR  11   2.881  -3.870   6.020
   82   1HB   TYR  11          1HB       TYR  11   4.590  -5.271   7.078
   83   2HB   TYR  11          2HB       TYR  11   3.146  -6.262   7.018
   84    HD1  TYR  11           HD1      TYR  11   6.413  -5.635   5.358
   85    HD2  TYR  11           HD2      TYR  11   3.100  -8.308   5.792
   86    HE1  TYR  11           HE1      TYR  11   7.695  -7.440   4.106
   87    HE2  TYR  11           HE2      TYR  11   4.393 -10.102   4.538
   88    HH   TYR  11           HH       TYR  11   7.694  -9.467   3.377
   89    H    GLN  12           H        GLN  12   3.321  -5.539   3.020
   90    HA   GLN  12           HA       GLN  12   5.814  -4.362   2.399
   91   1HB   GLN  12          1HB       GLN  12   3.632  -5.520   0.611
   92   2HB   GLN  12          2HB       GLN  12   5.225  -5.055   0.048
   93   1HG   GLN  12          1HG       GLN  12   6.311  -6.748   1.369
   94   2HG   GLN  12          2HG       GLN  12   4.882  -7.018   2.347
   95   1HE2  GLN  12          1HE2      GLN  12   5.855  -9.210   1.447
   96   2HE2  GLN  12          2HE2      GLN  12   4.952  -9.881   0.130
   97    H    CYS  13           H        CYS  13   2.424  -3.341   2.329
   98    HA   CYS  13           HA       CYS  13   2.906  -1.434   0.229
   99   1HB   CYS  13          1HB       CYS  13   0.412  -2.031   1.835
  100   2HB   CYS  13          2HB       CYS  13   0.501  -0.928   0.476
  101    H    PHE  14           H        PHE  14   2.570  -1.607   3.794
  102    HA   PHE  14           HA       PHE  14   1.348   0.847   4.148
  103   1HB   PHE  14          1HB       PHE  14   1.284  -0.429   6.102
  104   2HB   PHE  14          2HB       PHE  14   2.761  -1.276   5.685
  105    HD1  PHE  14           HD1      PHE  14   4.450  -1.060   7.222
  106    HD2  PHE  14           HD2      PHE  14   1.828   2.224   6.629
  107    HE1  PHE  14           HE1      PHE  14   5.694   0.249   8.964
  108    HE2  PHE  14           HE2      PHE  14   3.073   3.532   8.372
  109    HZ   PHE  14           HZ       PHE  14   4.991   2.529   9.519
  110    HA   PRO  15           HA       PRO  15   5.729   2.534   4.844
  111   1HB   PRO  15          1HB       PRO  15   7.879   1.108   3.942
  112   2HB   PRO  15          2HB       PRO  15   7.318   1.049   5.601
  113   1HG   PRO  15          1HG       PRO  15   6.998  -0.968   3.462
  114   2HG   PRO  15          2HG       PRO  15   6.833  -1.170   5.195
  115   1HD   PRO  15          1HD       PRO  15   4.707  -0.977   3.279
  116   2HD   PRO  15          2HD       PRO  15   4.543  -1.062   5.022
  117    H    VAL  16           H        VAL  16   5.091   0.793   1.920
  118    HA   VAL  16           HA       VAL  16   6.627   2.508   0.276
  119    HB   VAL  16           HB       VAL  16   5.001   0.159   0.054
  120   1HG1  VAL  16          1HG1      VAL  16   4.028   0.569  -2.194
  121   2HG1  VAL  16          2HG1      VAL  16   3.270   1.557  -0.922
  122   3HG1  VAL  16          3HG1      VAL  16   4.447   2.292  -2.037
  123   1HG2  VAL  16          1HG2      VAL  16   6.925   1.478  -1.893
  124   2HG2  VAL  16          2HG2      VAL  16   7.363   0.343  -0.594
  125   3HG2  VAL  16          3HG2      VAL  16   6.361  -0.209  -1.959
  126    H    CYS  17           H        CYS  17   3.285   2.519   1.548
  127    HA   CYS  17           HA       CYS  17   2.413   4.534  -0.250
  128   1HB   CYS  17          1HB       CYS  17   1.228   3.432   2.304
  129   2HB   CYS  17          2HB       CYS  17   0.443   4.648   1.314
  130    H    LYS  18           H        LYS  18   3.776   4.335   3.067
  131    HA   LYS  18           HA       LYS  18   3.248   7.042   3.714
  132   1HB   LYS  18          1HB       LYS  18   3.526   5.254   5.390
  133   2HB   LYS  18          2HB       LYS  18   5.205   5.067   4.925
  134   1HG   LYS  18          1HG       LYS  18   5.787   7.265   5.711
  135   2HG   LYS  18          2HG       LYS  18   4.111   7.768   5.799
  136   1HD   LYS  18          1HD       LYS  18   4.935   7.296   8.062
  137   2HD   LYS  18          2HD       LYS  18   3.710   6.119   7.637
  138   1HE   LYS  18          1HE       LYS  18   5.656   5.013   8.702
  139   2HE   LYS  18          2HE       LYS  18   5.456   4.459   7.053
  140   1HZ   LYS  18          1HZ       LYS  18   7.226   6.702   7.673
  141   2HZ   LYS  18          2HZ       LYS  18   7.748   5.159   7.794
  142   3HZ   LYS  18          3HZ       LYS  18   7.234   5.737   6.355
  143    H    SER  19           H        SER  19   5.874   5.278   2.070
  144    HA   SER  19           HA       SER  19   7.682   7.438   2.262
  145   1HB   SER  19          1HB       SER  19   8.487   5.137   2.015
  146   2HB   SER  19          2HB       SER  19   7.634   4.953   0.495
  147    HG   SER  19           HG       SER  19   9.902   5.416   0.175
  148    H    ARG  20           H        ARG  20   5.480   6.119  -0.312
  149    HA   ARG  20           HA       ARG  20   6.715   7.856  -2.199
  150   1HB   ARG  20          1HB       ARG  20   5.999   5.485  -2.726
  151   2HB   ARG  20          2HB       ARG  20   4.327   5.972  -2.537
  152   1HG   ARG  20          1HG       ARG  20   4.514   7.558  -4.404
  153   2HG   ARG  20          2HG       ARG  20   6.239   7.278  -4.527
  154   1HD   ARG  20          1HD       ARG  20   4.161   5.069  -4.902
  155   2HD   ARG  20          2HD       ARG  20   4.808   6.013  -6.231
  156    HE   ARG  20           HE       ARG  20   7.029   5.025  -4.764
  157   1HH1  ARG  20          1HH1      ARG  20   4.460   3.856  -6.861
  158   2HH1  ARG  20          2HH1      ARG  20   5.286   2.390  -7.272
  159   1HH2  ARG  20          1HH2      ARG  20   8.116   3.080  -5.290
  160   2HH2  ARG  20          2HH2      ARG  20   7.398   1.967  -6.407
  161    H    PHE  21           H        PHE  21   3.348   7.312  -0.912
  162    HA   PHE  21           HA       PHE  21   2.508   9.699  -2.347
  163   1HB   PHE  21          1HB       PHE  21   1.005   7.527  -0.764
  164   2HB   PHE  21          2HB       PHE  21   0.233   8.744  -1.763
  165    HD1  PHE  21           HD1      PHE  21   1.540   8.781  -4.251
  166    HD2  PHE  21           HD2      PHE  21   0.907   5.439  -1.712
  167    HE1  PHE  21           HE1      PHE  21   1.686   7.247  -6.232
  168    HE2  PHE  21           HE2      PHE  21   1.053   3.906  -3.693
  169    HZ   PHE  21           HZ       PHE  21   1.441   4.828  -5.930
  170    H    GLY  22           H        GLY  22   3.319   8.576   0.860
  171   1HA   GLY  22          1HA       GLY  22   3.446   9.768   2.790
  172   2HA   GLY  22          2HA       GLY  22   2.722  11.152   1.996
  173    H    LYS  23           H        LYS  23   1.336   7.832   2.049
  174    HA   LYS  23           HA       LYS  23  -1.025   8.940   3.333
  175   1HB   LYS  23          1HB       LYS  23  -0.531   6.976   1.323
  176   2HB   LYS  23          2HB       LYS  23  -1.286   6.162   2.679
  177   1HG   LYS  23          1HG       LYS  23  -3.119   6.952   1.382
  178   2HG   LYS  23          2HG       LYS  23  -3.007   8.095   2.705
  179   1HD   LYS  23          1HD       LYS  23  -1.483   9.505   1.121
  180   2HD   LYS  23          2HD       LYS  23  -2.065   8.466  -0.165
  181   1HE   LYS  23          1HE       LYS  23  -4.426   9.082   0.410
  182   2HE   LYS  23          2HE       LYS  23  -3.841  10.122   1.692
  183   1HZ   LYS  23          1HZ       LYS  23  -2.654  11.398   0.034
  184   2HZ   LYS  23          2HZ       LYS  23  -3.204  10.429  -1.161
  185   3HZ   LYS  23          3HZ       LYS  23  -4.251  11.353  -0.312
  186    H    THR  24           H        THR  24  -2.092   7.590   5.096
  187    HA   THR  24           HA       THR  24  -0.089   7.519   7.144
  188    HB   THR  24           HB       THR  24  -2.258   7.074   8.526
  189    HG1  THR  24           HG1      THR  24  -4.159   7.223   7.213
  190   1HG2  THR  24          1HG2      THR  24  -2.304   9.477   6.625
  191   2HG2  THR  24          2HG2      THR  24  -3.136   9.355   8.194
  192   3HG2  THR  24          3HG2      THR  24  -1.359   9.413   8.132
  193    H    ASN  25           H        ASN  25  -2.049   5.133   5.352
  194    HA   ASN  25           HA       ASN  25  -0.239   3.130   6.250
  195   1HB   ASN  25          1HB       ASN  25  -2.123   3.292   8.040
  196   2HB   ASN  25          2HB       ASN  25  -3.214   2.693   6.806
  197   1HD2  ASN  25          1HD2      ASN  25  -0.296   2.011   8.651
  198   2HD2  ASN  25          2HD2      ASN  25  -0.350   0.282   8.548
  199    H    GLY  26           H        GLY  26  -0.810   0.970   5.070
  200   1HA   GLY  26          1HA       GLY  26  -2.766   1.213   2.922
  201   2HA   GLY  26          2HA       GLY  26  -1.089   1.054   2.436
  202    H    ARG  27           H        ARG  27  -3.397  -0.840   2.081
  203    HA   ARG  27           HA       ARG  27  -2.167  -3.099   3.409
  204   1HB   ARG  27          1HB       ARG  27  -5.155  -2.446   3.403
  205   2HB   ARG  27          2HB       ARG  27  -4.519  -4.015   3.854
  206   1HG   ARG  27          1HG       ARG  27  -3.109  -2.872   5.631
  207   2HG   ARG  27          2HG       ARG  27  -3.894  -1.358   5.227
  208   1HD   ARG  27          1HD       ARG  27  -5.102  -2.251   7.112
  209   2HD   ARG  27          2HD       ARG  27  -6.139  -2.490   5.719
  210    HE   ARG  27           HE       ARG  27  -5.847  -4.816   5.907
  211   1HH1  ARG  27          1HH1      ARG  27  -3.402  -3.179   7.834
  212   2HH1  ARG  27          2HH1      ARG  27  -2.940  -4.607   8.696
  213   1HH2  ARG  27          1HH2      ARG  27  -5.220  -6.709   7.025
  214   2HH2  ARG  27          2HH2      ARG  27  -3.951  -6.638   8.202
  215    H    CYS  28           H        CYS  28  -2.780  -5.226   2.327
  216    HA   CYS  28           HA       CYS  28  -2.637  -4.648  -0.497
  217   1HB   CYS  28          1HB       CYS  28  -0.999  -6.115   0.797
  218   2HB   CYS  28          2HB       CYS  28  -2.265  -7.328   0.836
  219    H    VAL  29           H        VAL  29  -4.680  -4.422  -1.409
  220    HA   VAL  29           HA       VAL  29  -6.730  -6.338  -0.592
  221    HB   VAL  29           HB       VAL  29  -6.849  -3.759  -2.165
  222   1HG1  VAL  29          1HG1      VAL  29  -9.338  -4.020  -1.902
  223   2HG1  VAL  29          2HG1      VAL  29  -8.579  -5.192  -3.006
  224   3HG1  VAL  29          3HG1      VAL  29  -9.045  -5.690  -1.363
  225   1HG2  VAL  29          1HG2      VAL  29  -6.399  -3.407   0.208
  226   2HG2  VAL  29          2HG2      VAL  29  -8.058  -2.900  -0.189
  227   3HG2  VAL  29          3HG2      VAL  29  -7.776  -4.447   0.644
  228    H    ASN  30           H        ASN  30  -6.602  -8.231  -1.718
  229    HA   ASN  30           HA       ASN  30  -6.817  -9.577  -3.402
  230   1HB   ASN  30          1HB       ASN  30  -7.554  -7.107  -5.061
  231   2HB   ASN  30          2HB       ASN  30  -7.915  -8.767  -5.493
  232   1HD2  ASN  30          1HD2      ASN  30  -9.853  -6.815  -5.284
  233   2HD2  ASN  30          2HD2      ASN  30 -10.910  -7.142  -3.951
  234    H    GLY  31           H        GLY  31  -4.197  -8.284  -2.901
  235   1HA   GLY  31          1HA       GLY  31  -2.214  -8.988  -3.816
  236   2HA   GLY  31          2HA       GLY  31  -3.002  -9.273  -5.356
  237    H    PHE  32           H        PHE  32  -3.979  -6.231  -4.139
  238    HA   PHE  32           HA       PHE  32  -1.677  -4.869  -5.316
  239   1HB   PHE  32          1HB       PHE  32  -4.669  -4.657  -5.920
  240   2HB   PHE  32          2HB       PHE  32  -3.633  -3.269  -6.195
  241    HD1  PHE  32           HD1      PHE  32  -4.642  -6.531  -7.403
  242    HD2  PHE  32           HD2      PHE  32  -1.833  -3.389  -7.899
  243    HE1  PHE  32           HE1      PHE  32  -4.026  -7.438  -9.661
  244    HE2  PHE  32           HE2      PHE  32  -1.217  -4.297 -10.156
  245    HZ   PHE  32           HZ       PHE  32  -2.321  -6.310 -11.010
  246    H    CYS  33           H        CYS  33  -1.273  -2.748  -4.458
  247    HA   CYS  33           HA       CYS  33  -1.931  -2.704  -1.711
  248   1HB   CYS  33          1HB       CYS  33  -0.397  -0.778  -3.463
  249   2HB   CYS  33          2HB       CYS  33  -0.593  -0.568  -1.734
  250    H    ASP  34           H        ASP  34  -3.404  -1.349  -0.610
  251    HA   ASP  34           HA       ASP  34  -4.714   0.649  -2.282
  252   1HB   ASP  34          1HB       ASP  34  -6.208  -1.268  -1.563
  253   2HB   ASP  34          2HB       ASP  34  -5.899  -0.840   0.108
  254    HD2  ASP  34           HD2      ASP  34  -7.653  -0.219  -2.585
  255    H    CYS  35           H        CYS  35  -4.236   2.731  -1.527
  256    HA   CYS  35           HA       CYS  35  -2.924   2.813   1.081
  257   1HB   CYS  35          1HB       CYS  35  -2.664   4.673  -1.291
  258   2HB   CYS  35          2HB       CYS  35  -1.828   4.858   0.238
  259    H    PHE  36           H        PHE  36  -3.664   4.273   2.669
  260    HA   PHE  36           HA       PHE  36  -5.588   6.281   1.958
  261   1HB   PHE  36          1HB       PHE  36  -7.275   5.266   3.591
  262   2HB   PHE  36          2HB       PHE  36  -7.031   4.282   2.162
  263    HD1  PHE  36           HD1      PHE  36  -5.920   2.134   2.305
  264    HD2  PHE  36           HD2      PHE  36  -6.413   4.547   5.762
  265    HE1  PHE  36           HE1      PHE  36  -5.346   0.169   3.759
  266    HE2  PHE  36           HE2      PHE  36  -5.839   2.581   7.215
  267    HZ   PHE  36           HZ       PHE  36  -5.313   0.417   6.196
  Start of MODEL    5
    1   1H    ARG   1          1H        ARG   1  -5.058   5.301  -1.939
    2   2H    ARG   1          2H        ARG   1  -6.152   6.544  -1.973
    3   3H    ARG   1          3H        ARG   1  -6.549   5.109  -1.248
    4    HA   ARG   1           HA       ARG   1  -7.647   5.100  -3.172
    5   1HB   ARG   1          1HB       ARG   1  -6.428   5.477  -5.385
    6   2HB   ARG   1          2HB       ARG   1  -6.554   6.901  -4.372
    7   1HG   ARG   1          1HG       ARG   1  -4.259   6.697  -3.629
    8   2HG   ARG   1          2HG       ARG   1  -4.114   5.078  -4.282
    9   1HD   ARG   1          1HD       ARG   1  -2.995   6.548  -5.839
   10   2HD   ARG   1          2HD       ARG   1  -4.492   6.062  -6.608
   11    HE   ARG   1           HE       ARG   1  -5.348   8.259  -6.344
   12   1HH1  ARG   1          1HH1      ARG   1  -2.469   7.912  -4.365
   13   2HH1  ARG   1          2HH1      ARG   1  -2.104   9.604  -4.361
   14   1HH2  ARG   1          1HH2      ARG   1  -4.906  10.511  -6.295
   15   2HH2  ARG   1          2HH2      ARG   1  -3.568  11.102  -5.368
   16    HA   PRO   2           HA       PRO   2  -5.942   1.090  -4.242
   17   1HB   PRO   2          1HB       PRO   2  -7.554   0.441  -6.352
   18   2HB   PRO   2          2HB       PRO   2  -7.987   0.127  -4.683
   19   1HG   PRO   2          1HG       PRO   2  -9.008   2.225  -6.499
   20   2HG   PRO   2          2HG       PRO   2  -9.709   1.627  -5.008
   21   1HD   PRO   2          1HD       PRO   2  -8.291   4.094  -5.371
   22   2HD   PRO   2          2HD       PRO   2  -8.890   3.443  -3.858
   23    H    THR   3           H        THR   3  -4.406   0.180  -5.604
   24    HA   THR   3           HA       THR   3  -3.827   1.846  -7.952
   25    HB   THR   3           HB       THR   3  -1.519   2.039  -7.303
   26    HG1  THR   3           HG1      THR   3  -2.344   0.141  -5.218
   27   1HG2  THR   3          1HG2      THR   3  -1.522   3.011  -5.064
   28   2HG2  THR   3          2HG2      THR   3  -3.078   3.437  -5.818
   29   3HG2  THR   3          3HG2      THR   3  -2.997   2.117  -4.625
   30    H    ASP   4           H        ASP   4  -1.493   0.396  -8.723
   31    HA   ASP   4           HA       ASP   4  -2.581  -2.299  -8.961
   32   1HB   ASP   4          1HB       ASP   4  -1.565  -2.441 -11.201
   33   2HB   ASP   4          2HB       ASP   4  -2.685  -1.095 -11.129
   34    HD2  ASP   4           HD2      ASP   4   0.656  -0.232 -12.625
   35    H    ILE   5           H        ILE   5  -0.576  -0.795  -7.103
   36    HA   ILE   5           HA       ILE   5   1.982  -1.859  -7.790
   37    HB   ILE   5           HB       ILE   5   0.900  -0.576  -5.280
   38   1HG1  ILE   5          1HG1      ILE   5   2.800   0.643  -7.281
   39   2HG1  ILE   5          2HG1      ILE   5   1.065   0.730  -7.509
   40   1HG2  ILE   5          1HG2      ILE   5   3.748  -1.323  -6.000
   41   2HG2  ILE   5          2HG2      ILE   5   3.266  -0.302  -4.624
   42   3HG2  ILE   5          3HG2      ILE   5   2.760  -2.008  -4.687
   43   1HD1  ILE   5          1HD1      ILE   5   2.669   1.802  -5.150
   44   2HD1  ILE   5          2HD1      ILE   5   1.716   2.733  -6.329
   45   3HD1  ILE   5          3HD1      ILE   5   0.893   1.691  -5.143
   46    H    LYS   6           H        LYS   6   2.448  -3.995  -7.712
   47    HA   LYS   6           HA       LYS   6   0.565  -5.755  -6.571
   48   1HB   LYS   6          1HB       LYS   6   1.899  -7.486  -7.492
   49   2HB   LYS   6          2HB       LYS   6   1.950  -6.155  -8.630
   50   1HG   LYS   6          1HG       LYS   6   4.142  -5.415  -7.534
   51   2HG   LYS   6          2HG       LYS   6   4.105  -6.896  -6.597
   52   1HD   LYS   6          1HD       LYS   6   4.055  -8.228  -8.725
   53   2HD   LYS   6          2HD       LYS   6   4.117  -6.742  -9.650
   54   1HE   LYS   6          1HE       LYS   6   6.315  -6.173  -8.590
   55   2HE   LYS   6          2HE       LYS   6   6.252  -7.660  -7.665
   56   1HZ   LYS   6          1HZ       LYS   6   7.543  -7.921  -9.657
   57   2HZ   LYS   6          2HZ       LYS   6   6.223  -8.878  -9.737
   58   3HZ   LYS   6          3HZ       LYS   6   6.279  -7.492 -10.599
   59    H    CYS   7           H        CYS   7   0.778  -7.206  -4.787
   60    HA   CYS   7           HA       CYS   7   3.095  -7.004  -3.130
   61   1HB   CYS   7          1HB       CYS   7   1.815  -6.306  -1.099
   62   2HB   CYS   7          2HB       CYS   7   2.114  -5.042  -2.276
   63    H    SER   8           H        SER   8   3.047  -8.736  -1.472
   64    HA   SER   8           HA       SER   8   0.958 -10.677  -1.974
   65   1HB   SER   8          1HB       SER   8   2.381 -12.240  -0.712
   66   2HB   SER   8          2HB       SER   8   3.304 -11.469  -1.987
   67    HG   SER   8           HG       SER   8   3.501 -11.169   0.833
   68    H    GLU   9           H        GLU   9   1.996  -8.217   0.307
   69    HA   GLU   9           HA       GLU   9   0.048  -9.090   2.224
   70   1HB   GLU   9          1HB       GLU   9   2.934  -9.607   2.533
   71   2HB   GLU   9          2HB       GLU   9   2.273  -8.694   3.875
   72   1HG   GLU   9          1HG       GLU   9   1.063 -11.288   2.804
   73   2HG   GLU   9          2HG       GLU   9   2.140 -11.201   4.184
   74    HE2  GLU   9           HE2      GLU   9  -1.421 -10.974   5.235
   75    H    SER  10           H        SER  10   0.127  -7.446   4.222
   76    HA   SER  10           HA       SER  10  -0.406  -5.080   2.739
   77   1HB   SER  10          1HB       SER  10  -0.935  -5.908   5.620
   78   2HB   SER  10          2HB       SER  10  -1.380  -4.330   5.002
   79    HG   SER  10           HG       SER  10  -2.295  -6.889   3.996
   80    H    TYR  11           H        TYR  11   1.928  -6.226   5.173
   81    HA   TYR  11           HA       TYR  11   2.756  -3.653   6.027
   82   1HB   TYR  11          1HB       TYR  11   4.406  -5.016   7.219
   83   2HB   TYR  11          2HB       TYR  11   2.956  -5.996   7.150
   84    HD1  TYR  11           HD1      TYR  11   2.942  -8.103   6.039
   85    HD2  TYR  11           HD2      TYR  11   6.287  -5.474   5.580
   86    HE1  TYR  11           HE1      TYR  11   4.265  -9.968   4.927
   87    HE2  TYR  11           HE2      TYR  11   7.597  -7.348   4.469
   88    HH   TYR  11           HH       TYR  11   6.126 -10.554   4.014
   89    H    GLN  12           H        GLN  12   3.251  -5.414   3.109
   90    HA   GLN  12           HA       GLN  12   5.796  -4.294   2.547
   91   1HB   GLN  12          1HB       GLN  12   3.692  -5.545   0.727
   92   2HB   GLN  12          2HB       GLN  12   5.309  -5.106   0.211
   93   1HG   GLN  12          1HG       GLN  12   6.329  -6.710   1.717
   94   2HG   GLN  12          2HG       GLN  12   4.818  -6.980   2.565
   95   1HE2  GLN  12          1HE2      GLN  12   6.058  -9.138   1.730
   96   2HE2  GLN  12          2HE2      GLN  12   5.253  -9.882   0.388
   97    H    CYS  13           H        CYS  13   2.426  -3.273   2.326
   98    HA   CYS  13           HA       CYS  13   2.977  -1.380   0.231
   99   1HB   CYS  13          1HB       CYS  13   0.445  -1.889   1.809
  100   2HB   CYS  13          2HB       CYS  13   0.587  -0.828   0.421
  101    H    PHE  14           H        PHE  14   2.697  -1.558   3.781
  102    HA   PHE  14           HA       PHE  14   1.502   0.886   4.220
  103   1HB   PHE  14          1HB       PHE  14   1.559  -0.396   6.170
  104   2HB   PHE  14          2HB       PHE  14   3.010  -1.238   5.660
  105    HD1  PHE  14           HD1      PHE  14   4.763  -1.041   7.125
  106    HD2  PHE  14           HD2      PHE  14   2.152   2.270   6.646
  107    HE1  PHE  14           HE1      PHE  14   6.107   0.262   8.798
  108    HE2  PHE  14           HE2      PHE  14   3.495   3.572   8.320
  109    HZ   PHE  14           HZ       PHE  14   5.457   2.553   9.375
  110    HA   PRO  15           HA       PRO  15   5.900   2.613   4.654
  111   1HB   PRO  15          1HB       PRO  15   8.008   1.196   3.644
  112   2HB   PRO  15          2HB       PRO  15   7.543   1.149   5.334
  113   1HG   PRO  15          1HG       PRO  15   7.120  -0.893   3.238
  114   2HG   PRO  15          2HG       PRO  15   7.056  -1.077   4.980
  115   1HD   PRO  15          1HD       PRO  15   4.823  -0.923   3.188
  116   2HD   PRO  15          2HD       PRO  15   4.759  -0.992   4.937
  117    H    VAL  16           H        VAL  16   5.257   0.773   1.767
  118    HA   VAL  16           HA       VAL  16   6.525   2.514  -0.009
  119    HB   VAL  16           HB       VAL  16   4.625   0.292  -0.068
  120   1HG1  VAL  16          1HG1      VAL  16   3.864   0.772  -2.410
  121   2HG1  VAL  16          2HG1      VAL  16   3.146   1.834  -1.175
  122   3HG1  VAL  16          3HG1      VAL  16   4.463   2.436  -2.211
  123   1HG2  VAL  16          1HG2      VAL  16   5.989  -0.388  -1.980
  124   2HG2  VAL  16          2HG2      VAL  16   6.785   1.204  -2.001
  125   3HG2  VAL  16          3HG2      VAL  16   7.023   0.108  -0.619
  126    H    CYS  17           H        CYS  17   3.325   2.575   1.603
  127    HA   CYS  17           HA       CYS  17   2.302   4.560  -0.148
  128   1HB   CYS  17          1HB       CYS  17   1.306   3.507   2.506
  129   2HB   CYS  17          2HB       CYS  17   0.435   4.660   1.514
  130    H    LYS  18           H        LYS  18   3.845   4.411   3.101
  131    HA   LYS  18           HA       LYS  18   3.329   7.119   3.740
  132   1HB   LYS  18          1HB       LYS  18   3.718   5.343   5.413
  133   2HB   LYS  18          2HB       LYS  18   5.376   5.187   4.869
  134   1HG   LYS  18          1HG       LYS  18   5.948   7.403   5.609
  135   2HG   LYS  18          2HG       LYS  18   4.269   7.871   5.775
  136   1HD   LYS  18          1HD       LYS  18   5.213   7.436   7.999
  137   2HD   LYS  18          2HD       LYS  18   3.993   6.229   7.642
  138   1HE   LYS  18          1HE       LYS  18   6.013   5.174   8.619
  139   2HE   LYS  18          2HE       LYS  18   5.746   4.603   6.983
  140   1HZ   LYS  18          1HZ       LYS  18   7.494   6.888   7.506
  141   2HZ   LYS  18          2HZ       LYS  18   8.055   5.357   7.607
  142   3HZ   LYS  18          3HZ       LYS  18   7.458   5.916   6.194
  143    H    SER  19           H        SER  19   5.855   5.378   1.938
  144    HA   SER  19           HA       SER  19   7.654   7.553   1.987
  145   1HB   SER  19          1HB       SER  19   8.445   5.252   1.657
  146   2HB   SER  19          2HB       SER  19   7.477   5.083   0.207
  147    HG   SER  19           HG       SER  19   9.704   5.561  -0.294
  148    H    ARG  20           H        ARG  20   5.229   6.243  -0.374
  149    HA   ARG  20           HA       ARG  20   6.236   8.007  -2.365
  150   1HB   ARG  20          1HB       ARG  20   5.502   5.703  -2.942
  151   2HB   ARG  20          2HB       ARG  20   3.881   6.052  -2.376
  152   1HG   ARG  20          1HG       ARG  20   3.514   7.674  -4.148
  153   2HG   ARG  20          2HG       ARG  20   5.206   7.660  -4.601
  154   1HD   ARG  20          1HD       ARG  20   5.040   5.340  -5.394
  155   2HD   ARG  20          2HD       ARG  20   3.408   5.196  -4.773
  156    HE   ARG  20           HE       ARG  20   3.431   7.423  -6.537
  157   1HH1  ARG  20          1HH1      ARG  20   3.906   3.940  -6.704
  158   2HH1  ARG  20          2HH1      ARG  20   3.322   3.810  -8.330
  159   1HH2  ARG  20          1HH2      ARG  20   2.635   7.248  -8.671
  160   2HH2  ARG  20          2HH2      ARG  20   2.591   5.704  -9.455
  161    H    PHE  21           H        PHE  21   3.010   7.441  -0.754
  162    HA   PHE  21           HA       PHE  21   2.055   9.865  -2.047
  163   1HB   PHE  21          1HB       PHE  21   0.730   7.601  -0.436
  164   2HB   PHE  21          2HB       PHE  21  -0.165   8.889  -1.220
  165    HD1  PHE  21           HD1      PHE  21   0.486   9.156  -3.830
  166    HD2  PHE  21           HD2      PHE  21   0.834   5.593  -1.552
  167    HE1  PHE  21           HE1      PHE  21   0.375   7.798  -5.937
  168    HE2  PHE  21           HE2      PHE  21   0.722   4.235  -3.658
  169    HZ   PHE  21           HZ       PHE  21   0.494   5.353  -5.827
  170    H    GLY  22           H        GLY  22   3.187   8.696   1.029
  171   1HA   GLY  22          1HA       GLY  22   3.498   9.856   2.957
  172   2HA   GLY  22          2HA       GLY  22   2.670  11.239   2.270
  173    H    LYS  23           H        LYS  23   1.157   8.027   2.159
  174    HA   LYS  23           HA       LYS  23  -0.978   9.068   3.821
  175   1HB   LYS  23          1HB       LYS  23  -0.687   6.716   1.955
  176   2HB   LYS  23          2HB       LYS  23  -2.030   6.818   3.076
  177   1HG   LYS  23          1HG       LYS  23  -2.660   9.042   2.144
  178   2HG   LYS  23          2HG       LYS  23  -1.292   8.985   1.051
  179   1HD   LYS  23          1HD       LYS  23  -2.212   7.105  -0.165
  180   2HD   LYS  23          2HD       LYS  23  -3.422   6.807   1.068
  181   1HE   LYS  23          1HE       LYS  23  -4.528   7.937  -0.773
  182   2HE   LYS  23          2HE       LYS  23  -4.436   9.075   0.557
  183   1HZ   LYS  23          1HZ       LYS  23  -3.747  10.002  -1.578
  184   2HZ   LYS  23          2HZ       LYS  23  -2.559  10.093  -0.461
  185   3HZ   LYS  23          3HZ       LYS  23  -2.487   8.965  -1.640
  186    H    THR  24           H        THR  24  -2.003   7.367   5.410
  187    HA   THR  24           HA       THR  24   0.093   7.218   7.355
  188    HB   THR  24           HB       THR  24  -2.044   6.400   8.709
  189    HG1  THR  24           HG1      THR  24  -3.272   5.923   6.764
  190   1HG2  THR  24          1HG2      THR  24  -1.160   8.759   8.825
  191   2HG2  THR  24          2HG2      THR  24  -2.055   9.139   7.333
  192   3HG2  THR  24          3HG2      THR  24  -2.941   8.711   8.818
  193    H    ASN  25           H        ASN  25  -1.775   4.900   5.385
  194    HA   ASN  25           HA       ASN  25   0.010   2.836   6.117
  195   1HB   ASN  25          1HB       ASN  25  -1.716   3.011   8.074
  196   2HB   ASN  25          2HB       ASN  25  -2.904   2.419   6.930
  197   1HD2  ASN  25          1HD2      ASN  25   0.195   1.728   8.464
  198   2HD2  ASN  25          2HD2      ASN  25   0.120   0.000   8.374
  199    H    GLY  26           H        GLY  26  -0.758   0.699   4.975
  200   1HA   GLY  26          1HA       GLY  26  -2.811   1.149   2.927
  201   2HA   GLY  26          2HA       GLY  26  -1.191   0.724   2.409
  202    H    ARG  27           H        ARG  27  -3.439  -0.929   1.858
  203    HA   ARG  27           HA       ARG  27  -2.664  -3.245   3.399
  204   1HB   ARG  27          1HB       ARG  27  -5.130  -3.925   3.532
  205   2HB   ARG  27          2HB       ARG  27  -4.679  -2.578   4.559
  206   1HG   ARG  27          1HG       ARG  27  -5.549  -0.967   2.890
  207   2HG   ARG  27          2HG       ARG  27  -5.916  -2.274   1.782
  208   1HD   ARG  27          1HD       ARG  27  -7.126  -2.088   4.580
  209   2HD   ARG  27          2HD       ARG  27  -7.899  -1.408   3.160
  210    HE   ARG  27           HE       ARG  27  -7.242  -4.113   2.559
  211   1HH1  ARG  27          1HH1      ARG  27  -9.387  -2.305   4.682
  212   2HH1  ARG  27          2HH1      ARG  27 -10.571  -3.566   4.771
  213   1HH2  ARG  27          1HH2      ARG  27  -8.804  -5.776   2.672
  214   2HH2  ARG  27          2HH2      ARG  27 -10.241  -5.551   3.614
  215    H    CYS  28           H        CYS  28  -3.142  -5.309   2.242
  216    HA   CYS  28           HA       CYS  28  -2.728  -4.746  -0.562
  217   1HB   CYS  28          1HB       CYS  28  -1.229  -6.211   0.927
  218   2HB   CYS  28          2HB       CYS  28  -2.478  -7.432   0.781
  219    H    VAL  29           H        VAL  29  -4.725  -4.485  -1.588
  220    HA   VAL  29           HA       VAL  29  -6.850  -6.355  -0.897
  221    HB   VAL  29           HB       VAL  29  -6.776  -3.815  -2.536
  222   1HG1  VAL  29          1HG1      VAL  29  -9.074  -5.695  -1.916
  223   2HG1  VAL  29          2HG1      VAL  29  -9.293  -4.019  -2.475
  224   3HG1  VAL  29          3HG1      VAL  29  -8.462  -5.202  -3.513
  225   1HG2  VAL  29          1HG2      VAL  29  -6.530  -3.456  -0.124
  226   2HG2  VAL  29          2HG2      VAL  29  -8.112  -2.876  -0.698
  227   3HG2  VAL  29          3HG2      VAL  29  -7.995  -4.420   0.180
  228    H    ASN  30           H        ASN  30  -6.758  -8.275  -1.956
  229    HA   ASN  30           HA       ASN  30  -6.651  -9.720  -3.571
  230   1HB   ASN  30          1HB       ASN  30  -7.406  -7.331  -5.337
  231   2HB   ASN  30          2HB       ASN  30  -7.500  -9.004  -5.852
  232   1HD2  ASN  30          1HD2      ASN  30  -8.824 -10.475  -4.537
  233   2HD2  ASN  30          2HD2      ASN  30 -10.291  -9.893  -3.826
  234    H    GLY  31           H        GLY  31  -4.156  -8.340  -2.870
  235   1HA   GLY  31          1HA       GLY  31  -2.065  -8.952  -3.558
  236   2HA   GLY  31          2HA       GLY  31  -2.689  -9.381  -5.138
  237    H    PHE  32           H        PHE  32  -3.807  -6.283  -4.063
  238    HA   PHE  32           HA       PHE  32  -1.513  -4.921  -5.241
  239   1HB   PHE  32          1HB       PHE  32  -4.497  -4.618  -5.934
  240   2HB   PHE  32          2HB       PHE  32  -3.272  -3.488  -6.475
  241    HD1  PHE  32           HD1      PHE  32  -1.252  -4.594  -7.782
  242    HD2  PHE  32           HD2      PHE  32  -5.087  -6.357  -7.335
  243    HE1  PHE  32           HE1      PHE  32  -0.835  -6.017  -9.808
  244    HE2  PHE  32           HE2      PHE  32  -4.670  -7.780  -9.359
  245    HZ   PHE  32           HZ       PHE  32  -2.548  -7.594 -10.571
  246    H    CYS  33           H        CYS  33  -1.206  -2.753  -4.468
  247    HA   CYS  33           HA       CYS  33  -1.971  -2.674  -1.750
  248   1HB   CYS  33          1HB       CYS  33  -0.410  -0.723  -3.452
  249   2HB   CYS  33          2HB       CYS  33  -0.636  -0.559  -1.722
  250    H    ASP  34           H        ASP  34  -3.610  -1.442  -0.773
  251    HA   ASP  34           HA       ASP  34  -4.636   0.744  -2.407
  252   1HB   ASP  34          1HB       ASP  34  -6.387  -0.950  -2.059
  253   2HB   ASP  34          2HB       ASP  34  -6.075  -0.975  -0.335
  254    HD2  ASP  34           HD2      ASP  34  -6.615   0.714   0.799
  255    H    CYS  35           H        CYS  35  -4.039   2.719  -1.486
  256    HA   CYS  35           HA       CYS  35  -2.929   2.571   1.192
  257   1HB   CYS  35          1HB       CYS  35  -2.684   4.731  -0.913
  258   2HB   CYS  35          2HB       CYS  35  -1.867   4.717   0.639
  259    H    PHE  36           H        PHE  36  -3.522   4.198   2.819
  260    HA   PHE  36           HA       PHE  36  -5.592   6.065   2.219
  261   1HB   PHE  36          1HB       PHE  36  -7.236   5.031   3.786
  262   2HB   PHE  36          2HB       PHE  36  -6.837   3.879   2.527
  263    HD1  PHE  36           HD1      PHE  36  -5.457   1.918   3.026
  264    HD2  PHE  36           HD2      PHE  36  -6.547   4.660   6.075
  265    HE1  PHE  36           HE1      PHE  36  -4.806   0.235   4.771
  266    HE2  PHE  36           HE2      PHE  36  -5.897   2.977   7.821
  267    HZ   PHE  36           HZ       PHE  36  -5.035   0.786   7.148
  Start of MODEL    6
    1   1H    ARG   1          1H        ARG   1  -8.164   4.967  -1.101
    2   2H    ARG   1          2H        ARG   1  -7.561   3.449  -0.828
    3   3H    ARG   1          3H        ARG   1  -6.566   4.646  -1.394
    4    HA   ARG   1           HA       ARG   1  -8.830   3.461  -2.731
    5   1HB   ARG   1          1HB       ARG   1  -7.029   5.791  -3.425
    6   2HB   ARG   1          2HB       ARG   1  -7.639   4.801  -4.738
    7   1HG   ARG   1          1HG       ARG   1  -9.981   5.166  -3.913
    8   2HG   ARG   1          2HG       ARG   1  -9.363   6.176  -2.621
    9   1HD   ARG   1          1HD       ARG   1  -8.374   7.737  -4.323
   10   2HD   ARG   1          2HD       ARG   1  -9.016   6.733  -5.608
   11    HE   ARG   1           HE       ARG   1 -11.191   7.538  -5.155
   12   1HH1  ARG   1          1HH1      ARG   1  -9.062   8.389  -2.491
   13   2HH1  ARG   1          2HH1      ARG   1 -10.096   9.643  -1.893
   14   1HH2  ARG   1          1HH2      ARG   1 -12.577   9.173  -4.350
   15   2HH2  ARG   1          2HH2      ARG   1 -12.145  10.038  -2.913
   16    HA   PRO   2           HA       PRO   2  -5.898   0.565  -4.155
   17   1HB   PRO   2          1HB       PRO   2  -7.030  -0.298  -6.487
   18   2HB   PRO   2          2HB       PRO   2  -7.541  -0.861  -4.908
   19   1HG   PRO   2          1HG       PRO   2  -8.890   1.043  -6.724
   20   2HG   PRO   2          2HG       PRO   2  -9.560   0.153  -5.370
   21   1HD   PRO   2          1HD       PRO   2  -8.839   2.929  -5.412
   22   2HD   PRO   2          2HD       PRO   2  -9.398   2.013  -4.028
   23    H    THR   3           H        THR   3  -4.047   0.190  -5.387
   24    HA   THR   3           HA       THR   3  -3.698   2.193  -7.515
   25    HB   THR   3           HB       THR   3  -1.436   2.596  -6.693
   26    HG1  THR   3           HG1      THR   3  -0.689   1.224  -4.930
   27   1HG2  THR   3          1HG2      THR   3  -1.799   3.496  -4.481
   28   2HG2  THR   3          2HG2      THR   3  -3.363   3.660  -5.315
   29   3HG2  THR   3          3HG2      THR   3  -3.110   2.337  -4.151
   30    H    ASP   4           H        ASP   4  -1.101   1.289  -8.284
   31    HA   ASP   4           HA       ASP   4  -2.073  -1.069  -9.662
   32   1HB   ASP   4          1HB       ASP   4  -0.402  -0.506 -11.384
   33   2HB   ASP   4          2HB       ASP   4  -1.414   0.884 -11.045
   34    HD2  ASP   4           HD2      ASP   4   1.323   2.519  -9.372
   35    H    ILE   5           H        ILE   5  -0.164  -0.228  -7.029
   36    HA   ILE   5           HA       ILE   5   2.238  -1.627  -7.699
   37    HB   ILE   5           HB       ILE   5   1.238  -0.370  -5.144
   38   1HG1  ILE   5          1HG1      ILE   5   3.358   0.631  -7.059
   39   2HG1  ILE   5          2HG1      ILE   5   1.676   1.112  -7.158
   40   1HG2  ILE   5          1HG2      ILE   5   3.541  -0.559  -4.328
   41   2HG2  ILE   5          2HG2      ILE   5   2.815  -2.157  -4.628
   42   3HG2  ILE   5          3HG2      ILE   5   3.984  -1.479  -5.787
   43   1HD1  ILE   5          1HD1      ILE   5   2.754   2.798  -5.839
   44   2HD1  ILE   5          2HD1      ILE   5   1.853   1.794  -4.678
   45   3HD1  ILE   5          3HD1      ILE   5   3.611   1.587  -4.858
   46    H    LYS   6           H        LYS   6   2.589  -3.773  -7.543
   47    HA   LYS   6           HA       LYS   6   0.482  -5.396  -6.475
   48   1HB   LYS   6          1HB       LYS   6   3.116  -6.022  -7.831
   49   2HB   LYS   6          2HB       LYS   6   2.018  -7.259  -7.253
   50   1HG   LYS   6          1HG       LYS   6   0.205  -6.369  -8.693
   51   2HG   LYS   6          2HG       LYS   6   1.238  -5.054  -9.220
   52   1HD   LYS   6          1HD       LYS   6   2.831  -6.692 -10.225
   53   2HD   LYS   6          2HD       LYS   6   1.827  -8.019  -9.673
   54   1HE   LYS   6          1HE       LYS   6  -0.067  -7.182 -11.069
   55   2HE   LYS   6          2HE       LYS   6   0.911  -5.829 -11.600
   56   1HZ   LYS   6          1HZ       LYS   6   2.455  -7.396 -12.563
   57   2HZ   LYS   6          2HZ       LYS   6   1.552  -8.660 -12.061
   58   3HZ   LYS   6          3HZ       LYS   6   0.959  -7.625 -13.177
   59    H    CYS   7           H        CYS   7   0.732  -6.996  -4.779
   60    HA   CYS   7           HA       CYS   7   3.088  -6.879  -3.166
   61   1HB   CYS   7          1HB       CYS   7   1.819  -6.263  -1.082
   62   2HB   CYS   7          2HB       CYS   7   2.175  -4.956  -2.195
   63    H    SER   8           H        SER   8   3.018  -8.642  -1.516
   64    HA   SER   8           HA       SER   8   0.901 -10.544  -2.063
   65   1HB   SER   8          1HB       SER   8   2.325 -12.161  -0.837
   66   2HB   SER   8          2HB       SER   8   3.196 -11.415  -2.162
   67    HG   SER   8           HG       SER   8   4.378 -11.543  -0.071
   68    H    GLU   9           H        GLU   9   1.961  -8.138   0.239
   69    HA   GLU   9           HA       GLU   9   0.134  -9.124   2.225
   70   1HB   GLU   9          1HB       GLU   9   3.134  -9.233   2.511
   71   2HB   GLU   9          2HB       GLU   9   2.176  -8.851   3.928
   72   1HG   GLU   9          1HG       GLU   9   1.656 -11.039   4.190
   73   2HG   GLU   9          2HG       GLU   9   0.889 -11.062   2.615
   74    HE2  GLU   9           HE2      GLU   9   3.367 -13.180   1.506
   75    H    SER  10           H        SER  10   0.168  -7.524   4.221
   76    HA   SER  10           HA       SER  10  -0.429  -5.124   2.817
   77   1HB   SER  10          1HB       SER  10  -0.901  -6.031   5.687
   78   2HB   SER  10          2HB       SER  10  -1.414  -4.464   5.094
   79    HG   SER  10           HG       SER  10  -2.229  -7.033   4.025
   80    H    TYR  11           H        TYR  11   1.932  -6.288   5.223
   81    HA   TYR  11           HA       TYR  11   2.745  -3.707   6.087
   82   1HB   TYR  11          1HB       TYR  11   4.470  -5.082   7.221
   83   2HB   TYR  11          2HB       TYR  11   2.960  -5.971   7.284
   84    HD1  TYR  11           HD1      TYR  11   2.779  -8.136   6.335
   85    HD2  TYR  11           HD2      TYR  11   6.184  -5.708   5.433
   86    HE1  TYR  11           HE1      TYR  11   3.913 -10.125   5.231
   87    HE2  TYR  11           HE2      TYR  11   7.307  -7.705   4.331
   88    HH   TYR  11           HH       TYR  11   5.570 -10.735   3.896
   89    H    GLN  12           H        GLN  12   3.228  -5.450   3.164
   90    HA   GLN  12           HA       GLN  12   5.769  -4.314   2.599
   91   1HB   GLN  12          1HB       GLN  12   3.674  -5.558   0.763
   92   2HB   GLN  12          2HB       GLN  12   5.301  -5.132   0.273
   93   1HG   GLN  12          1HG       GLN  12   6.263  -6.718   1.893
   94   2HG   GLN  12          2HG       GLN  12   4.678  -7.062   2.556
   95   1HE2  GLN  12          1HE2      GLN  12   6.378  -9.016   1.578
   96   2HE2  GLN  12          2HE2      GLN  12   5.725  -9.735   0.144
   97    H    CYS  13           H        CYS  13   2.394  -3.311   2.419
   98    HA   CYS  13           HA       CYS  13   2.896  -1.450   0.286
   99   1HB   CYS  13          1HB       CYS  13   0.405  -2.021   1.905
  100   2HB   CYS  13          2HB       CYS  13   0.490  -0.895   0.564
  101    H    PHE  14           H        PHE  14   2.534  -1.546   3.855
  102    HA   PHE  14           HA       PHE  14   1.372   0.937   4.159
  103   1HB   PHE  14          1HB       PHE  14   1.295  -0.282   6.146
  104   2HB   PHE  14          2HB       PHE  14   2.742  -1.180   5.736
  105    HD1  PHE  14           HD1      PHE  14   4.430  -0.987   7.277
  106    HD2  PHE  14           HD2      PHE  14   1.938   2.376   6.584
  107    HE1  PHE  14           HE1      PHE  14   5.728   0.325   8.978
  108    HE2  PHE  14           HE2      PHE  14   3.234   3.688   8.286
  109    HZ   PHE  14           HZ       PHE  14   5.114   2.648   9.462
  110    HA   PRO  15           HA       PRO  15   5.783   2.562   4.804
  111   1HB   PRO  15          1HB       PRO  15   7.908   1.074   3.944
  112   2HB   PRO  15          2HB       PRO  15   7.345   1.070   5.603
  113   1HG   PRO  15          1HG       PRO  15   6.990  -0.997   3.520
  114   2HG   PRO  15          2HG       PRO  15   6.821  -1.149   5.257
  115   1HD   PRO  15          1HD       PRO  15   4.699  -0.970   3.334
  116   2HD   PRO  15          2HD       PRO  15   4.533  -1.005   5.079
  117    H    VAL  16           H        VAL  16   5.136   0.745   1.926
  118    HA   VAL  16           HA       VAL  16   6.643   2.421   0.224
  119    HB   VAL  16           HB       VAL  16   4.957   0.100   0.072
  120   1HG1  VAL  16          1HG1      VAL  16   3.266   1.526  -0.932
  121   2HG1  VAL  16          2HG1      VAL  16   4.464   2.205  -2.061
  122   3HG1  VAL  16          3HG1      VAL  16   3.995   0.492  -2.184
  123   1HG2  VAL  16          1HG2      VAL  16   6.304  -0.353  -1.930
  124   2HG2  VAL  16          2HG2      VAL  16   6.915   1.319  -1.906
  125   3HG2  VAL  16          3HG2      VAL  16   7.323   0.202  -0.581
  126    H    CYS  17           H        CYS  17   3.350   2.515   1.598
  127    HA   CYS  17           HA       CYS  17   2.427   4.458  -0.252
  128   1HB   CYS  17          1HB       CYS  17   1.309   3.508   2.391
  129   2HB   CYS  17          2HB       CYS  17   0.494   4.633   1.322
  130    H    LYS  18           H        LYS  18   3.851   4.393   3.050
  131    HA   LYS  18           HA       LYS  18   3.414   7.135   3.576
  132   1HB   LYS  18          1HB       LYS  18   3.729   5.468   5.342
  133   2HB   LYS  18          2HB       LYS  18   5.360   5.150   4.787
  134   1HG   LYS  18          1HG       LYS  18   4.722   8.023   5.331
  135   2HG   LYS  18          2HG       LYS  18   4.745   6.977   6.736
  136   1HD   LYS  18          1HD       LYS  18   7.025   6.430   6.470
  137   2HD   LYS  18          2HD       LYS  18   7.020   6.783   4.754
  138   1HE   LYS  18          1HE       LYS  18   6.511   9.016   6.744
  139   2HE   LYS  18          2HE       LYS  18   8.152   8.482   6.443
  140   1HZ   LYS  18          1HZ       LYS  18   6.297   9.286   4.313
  141   2HZ   LYS  18          2HZ       LYS  18   7.394  10.288   4.992
  142   3HZ   LYS  18          3HZ       LYS  18   7.893   8.978   4.156
  143    H    SER  19           H        SER  19   5.964   5.244   1.941
  144    HA   SER  19           HA       SER  19   7.804   7.372   1.924
  145   1HB   SER  19          1HB       SER  19   8.530   5.036   1.707
  146   2HB   SER  19          2HB       SER  19   7.602   4.841   0.234
  147    HG   SER  19           HG       SER  19   9.855   5.233  -0.217
  148    H    ARG  20           H        ARG  20   5.375   6.059  -0.425
  149    HA   ARG  20           HA       ARG  20   6.484   7.689  -2.475
  150   1HB   ARG  20          1HB       ARG  20   5.703   5.446  -3.059
  151   2HB   ARG  20          2HB       ARG  20   4.116   5.759  -2.385
  152   1HG   ARG  20          1HG       ARG  20   3.987   5.955  -4.819
  153   2HG   ARG  20          2HG       ARG  20   3.744   7.540  -4.114
  154   1HD   ARG  20          1HD       ARG  20   6.136   8.113  -4.542
  155   2HD   ARG  20          2HD       ARG  20   6.409   6.516  -5.212
  156    HE   ARG  20           HE       ARG  20   5.360   7.189  -7.196
  157   1HH1  ARG  20          1HH1      ARG  20   4.635   9.506  -4.649
  158   2HH1  ARG  20          2HH1      ARG  20   3.810  10.603  -5.706
  159   1HH2  ARG  20          1HH2      ARG  20   4.265   8.633  -8.590
  160   2HH2  ARG  20          2HH2      ARG  20   3.613  10.111  -7.965
  161    H    PHE  21           H        PHE  21   3.256   7.359  -0.811
  162    HA   PHE  21           HA       PHE  21   2.393   9.740  -2.258
  163   1HB   PHE  21          1HB       PHE  21   0.929   7.613  -0.580
  164   2HB   PHE  21          2HB       PHE  21   0.125   8.864  -1.508
  165    HD1  PHE  21           HD1      PHE  21   1.023   8.908  -4.091
  166    HD2  PHE  21           HD2      PHE  21   0.924   5.524  -1.531
  167    HE1  PHE  21           HE1      PHE  21   0.978   7.394  -6.093
  168    HE2  PHE  21           HE2      PHE  21   0.878   4.011  -3.532
  169    HZ   PHE  21           HZ       PHE  21   0.905   4.963  -5.789
  170    H    GLY  22           H        GLY  22   3.358   8.615   0.906
  171   1HA   GLY  22          1HA       GLY  22   3.609   9.823   2.821
  172   2HA   GLY  22          2HA       GLY  22   2.808  11.194   2.081
  173    H    LYS  23           H        LYS  23   1.287   7.999   1.900
  174    HA   LYS  23           HA       LYS  23  -0.898   9.035   3.500
  175   1HB   LYS  23          1HB       LYS  23  -0.562   6.686   1.633
  176   2HB   LYS  23          2HB       LYS  23  -1.951   6.816   2.693
  177   1HG   LYS  23          1HG       LYS  23  -2.508   9.040   1.733
  178   2HG   LYS  23          2HG       LYS  23  -1.083   8.979   0.716
  179   1HD   LYS  23          1HD       LYS  23  -1.952   7.088  -0.543
  180   2HD   LYS  23          2HD       LYS  23  -3.255   6.842   0.603
  181   1HE   LYS  23          1HE       LYS  23  -4.242   7.985  -1.267
  182   2HE   LYS  23          2HE       LYS  23  -4.101   9.187   0.001
  183   1HZ   LYS  23          1HZ       LYS  23  -2.108   9.988  -1.020
  184   2HZ   LYS  23          2HZ       LYS  23  -2.142   8.818  -2.160
  185   3HZ   LYS  23          3HZ       LYS  23  -3.299   9.970  -2.137
  186    H    THR  24           H        THR  24  -1.991   7.202   4.995
  187    HA   THR  24           HA       THR  24   0.113   7.254   6.994
  188    HB   THR  24           HB       THR  24  -1.711   7.477   8.527
  189    HG1  THR  24           HG1      THR  24  -3.196   6.339   6.264
  190   1HG2  THR  24          1HG2      THR  24  -1.653   9.281   6.539
  191   2HG2  THR  24          2HG2      THR  24  -3.186   8.495   6.088
  192   3HG2  THR  24          3HG2      THR  24  -3.012   9.251   7.690
  193    H    ASN  25           H        ASN  25  -1.880   4.931   5.211
  194    HA   ASN  25           HA       ASN  25  -0.303   2.829   6.285
  195   1HB   ASN  25          1HB       ASN  25  -2.192   3.211   8.009
  196   2HB   ASN  25          2HB       ASN  25  -3.324   2.718   6.764
  197   1HD2  ASN  25          1HD2      ASN  25  -0.593   1.740   8.740
  198   2HD2  ASN  25          2HD2      ASN  25  -0.835   0.027   8.653
  199    H    GLY  26           H        GLY  26  -0.978   0.682   5.168
  200   1HA   GLY  26          1HA       GLY  26  -2.644   1.098   2.781
  201   2HA   GLY  26          2HA       GLY  26  -0.984   0.570   2.584
  202    H    ARG  27           H        ARG  27  -3.436  -0.906   1.863
  203    HA   ARG  27           HA       ARG  27  -2.890  -3.242   3.478
  204   1HB   ARG  27          1HB       ARG  27  -5.140  -1.842   4.028
  205   2HB   ARG  27          2HB       ARG  27  -5.755  -2.748   2.660
  206   1HG   ARG  27          1HG       ARG  27  -6.258  -4.182   4.457
  207   2HG   ARG  27          2HG       ARG  27  -4.748  -4.851   3.872
  208   1HD   ARG  27          1HD       ARG  27  -4.572  -4.681   6.288
  209   2HD   ARG  27          2HD       ARG  27  -3.518  -3.459   5.606
  210    HE   ARG  27           HE       ARG  27  -6.213  -2.451   6.118
  211   1HH1  ARG  27          1HH1      ARG  27  -3.215  -3.277   7.754
  212   2HH1  ARG  27          2HH1      ARG  27  -3.311  -1.961   8.875
  213   1HH2  ARG  27          1HH2      ARG  27  -6.376  -0.744   7.637
  214   2HH2  ARG  27          2HH2      ARG  27  -5.162  -0.559   8.858
  215    H    CYS  28           H        CYS  28  -2.997  -5.214   2.272
  216    HA   CYS  28           HA       CYS  28  -2.734  -4.695  -0.544
  217   1HB   CYS  28          1HB       CYS  28  -1.143  -6.081   0.910
  218   2HB   CYS  28          2HB       CYS  28  -2.355  -7.344   0.844
  219    H    VAL  29           H        VAL  29  -4.804  -4.464  -1.456
  220    HA   VAL  29           HA       VAL  29  -6.803  -6.470  -0.763
  221    HB   VAL  29           HB       VAL  29  -6.930  -3.889  -2.334
  222   1HG1  VAL  29          1HG1      VAL  29  -9.420  -4.221  -2.175
  223   2HG1  VAL  29          2HG1      VAL  29  -8.583  -5.361  -3.255
  224   3HG1  VAL  29          3HG1      VAL  29  -9.103  -5.886  -1.635
  225   1HG2  VAL  29          1HG2      VAL  29  -7.949  -4.620   0.433
  226   2HG2  VAL  29          2HG2      VAL  29  -6.592  -3.533   0.055
  227   3HG2  VAL  29          3HG2      VAL  29  -8.250  -3.079  -0.406
  228    H    ASN  30           H        ASN  30  -6.606  -8.354  -1.887
  229    HA   ASN  30           HA       ASN  30  -6.699  -9.705  -3.579
  230   1HB   ASN  30          1HB       ASN  30  -7.393  -7.257  -5.285
  231   2HB   ASN  30          2HB       ASN  30  -7.699  -8.924  -5.726
  232   1HD2  ASN  30          1HD2      ASN  30  -9.673  -6.983  -5.620
  233   2HD2  ASN  30          2HD2      ASN  30 -10.797  -7.331  -4.350
  234    H    GLY  31           H        GLY  31  -4.148  -8.312  -2.935
  235   1HA   GLY  31          1HA       GLY  31  -2.080  -8.903  -3.723
  236   2HA   GLY  31          2HA       GLY  31  -2.764  -9.281  -5.292
  237    H    PHE  32           H        PHE  32  -3.926  -6.251  -4.145
  238    HA   PHE  32           HA       PHE  32  -1.654  -4.822  -5.310
  239   1HB   PHE  32          1HB       PHE  32  -4.665  -4.628  -5.854
  240   2HB   PHE  32          2HB       PHE  32  -3.617  -3.264  -6.189
  241    HD1  PHE  32           HD1      PHE  32  -1.805  -3.502  -7.900
  242    HD2  PHE  32           HD2      PHE  32  -4.766  -6.487  -7.328
  243    HE1  PHE  32           HE1      PHE  32  -1.264  -4.470 -10.151
  244    HE2  PHE  32           HE2      PHE  32  -4.225  -7.455  -9.579
  245    HZ   PHE  32           HZ       PHE  32  -2.480  -6.436 -10.964
  246    H    CYS  33           H        CYS  33  -1.265  -2.722  -4.419
  247    HA   CYS  33           HA       CYS  33  -1.950  -2.678  -1.678
  248   1HB   CYS  33          1HB       CYS  33  -0.426  -0.737  -3.424
  249   2HB   CYS  33          2HB       CYS  33  -0.643  -0.522  -1.698
  250    H    ASP  34           H        ASP  34  -3.477  -1.367  -0.605
  251    HA   ASP  34           HA       ASP  34  -4.741   0.664  -2.273
  252   1HB   ASP  34          1HB       ASP  34  -6.253  -1.265  -1.601
  253   2HB   ASP  34          2HB       ASP  34  -5.988  -0.836   0.077
  254    HD2  ASP  34           HD2      ASP  34  -8.943   0.847  -1.716
  255    H    CYS  35           H        CYS  35  -4.280   2.740  -1.469
  256    HA   CYS  35           HA       CYS  35  -2.950   2.729   1.135
  257   1HB   CYS  35          1HB       CYS  35  -2.538   4.520  -1.268
  258   2HB   CYS  35          2HB       CYS  35  -1.746   4.732   0.280
  259    H    PHE  36           H        PHE  36  -3.502   4.369   2.667
  260    HA   PHE  36           HA       PHE  36  -5.313   6.450   1.958
  261   1HB   PHE  36          1HB       PHE  36  -7.036   5.502   3.682
  262   2HB   PHE  36          2HB       PHE  36  -6.985   4.699   2.126
  263    HD1  PHE  36           HD1      PHE  36  -6.171   2.438   1.920
  264    HD2  PHE  36           HD2      PHE  36  -6.097   4.414   5.675
  265    HE1  PHE  36           HE1      PHE  36  -5.748   0.245   3.065
  266    HE2  PHE  36           HE2      PHE  36  -5.674   2.221   6.820
  267    HZ   PHE  36           HZ       PHE  36  -5.505   0.163   5.502
  Start of MODEL    7
    1   1H    ARG   1          1H        ARG   1  -6.436   4.721  -1.355
    2   2H    ARG   1          2H        ARG   1  -5.470   5.785  -2.178
    3   3H    ARG   1          3H        ARG   1  -7.034   6.193  -1.818
    4    HA   ARG   1           HA       ARG   1  -7.934   4.740  -3.228
    5   1HB   ARG   1          1HB       ARG   1  -5.511   6.141  -4.431
    6   2HB   ARG   1          2HB       ARG   1  -6.622   5.245  -5.446
    7   1HG   ARG   1          1HG       ARG   1  -8.524   6.640  -4.522
    8   2HG   ARG   1          2HG       ARG   1  -7.354   7.581  -3.620
    9   1HD   ARG   1          1HD       ARG   1  -7.788   8.807  -5.654
   10   2HD   ARG   1          2HD       ARG   1  -6.188   8.114  -5.830
   11    HE   ARG   1           HE       ARG   1  -8.169   6.288  -6.866
   12   1HH1  ARG   1          1HH1      ARG   1  -6.668   9.375  -7.631
   13   2HH1  ARG   1          2HH1      ARG   1  -6.747   9.136  -9.344
   14   1HH2  ARG   1          1HH2      ARG   1  -8.272   5.967  -9.129
   15   2HH2  ARG   1          2HH2      ARG   1  -7.704   7.202 -10.203
   16    HA   PRO   2           HA       PRO   2  -5.673   1.016  -4.207
   17   1HB   PRO   2          1HB       PRO   2  -7.097   0.113  -6.358
   18   2HB   PRO   2          2HB       PRO   2  -7.564  -0.203  -4.698
   19   1HG   PRO   2          1HG       PRO   2  -8.748   1.700  -6.628
   20   2HG   PRO   2          2HG       PRO   2  -9.438   1.066  -5.146
   21   1HD   PRO   2          1HD       PRO   2  -8.313   3.676  -5.537
   22   2HD   PRO   2          2HD       PRO   2  -8.898   3.001  -4.028
   23    H    THR   3           H        THR   3  -4.089   0.138  -5.611
   24    HA   THR   3           HA       THR   3  -3.537   1.916  -7.883
   25    HB   THR   3           HB       THR   3  -1.239   2.145  -7.188
   26    HG1  THR   3           HG1      THR   3  -2.058   0.173  -5.170
   27   1HG2  THR   3          1HG2      THR   3  -2.867   3.462  -5.705
   28   2HG2  THR   3          2HG2      THR   3  -2.786   2.113  -4.548
   29   3HG2  THR   3          3HG2      THR   3  -1.321   3.052  -4.922
   30    H    ASP   4           H        ASP   4  -1.149   0.592  -8.683
   31    HA   ASP   4           HA       ASP   4  -2.395  -1.904  -9.525
   32   1HB   ASP   4          1HB       ASP   4  -1.044  -1.711 -11.576
   33   2HB   ASP   4          2HB       ASP   4  -2.004  -0.264 -11.346
   34    HD2  ASP   4           HD2      ASP   4   1.041   1.498 -10.358
   35    H    ILE   5           H        ILE   5  -0.286  -0.799  -7.286
   36    HA   ILE   5           HA       ILE   5   2.120  -2.157  -8.003
   37    HB   ILE   5           HB       ILE   5   1.201  -0.803  -5.467
   38   1HG1  ILE   5          1HG1      ILE   5   3.250   0.195  -7.447
   39   2HG1  ILE   5          2HG1      ILE   5   1.541   0.525  -7.657
   40   1HG2  ILE   5          1HG2      ILE   5   3.947  -1.867  -6.190
   41   2HG2  ILE   5          2HG2      ILE   5   3.556  -0.865  -4.771
   42   3HG2  ILE   5          3HG2      ILE   5   2.863  -2.497  -4.926
   43   1HD1  ILE   5          1HD1      ILE   5   3.254   1.277  -5.246
   44   2HD1  ILE   5          2HD1      ILE   5   2.530   2.385  -6.437
   45   3HD1  ILE   5          3HD1      ILE   5   1.487   1.482  -5.311
   46    H    LYS   6           H        LYS   6   2.422  -4.314  -7.892
   47    HA   LYS   6           HA       LYS   6   0.378  -5.890  -6.679
   48   1HB   LYS   6          1HB       LYS   6   1.523  -6.401  -8.856
   49   2HB   LYS   6          2HB       LYS   6   2.977  -6.782  -7.957
   50   1HG   LYS   6          1HG       LYS   6   1.802  -8.564  -6.718
   51   2HG   LYS   6          2HG       LYS   6   0.280  -8.131  -7.472
   52   1HD   LYS   6          1HD       LYS   6   1.234  -8.702  -9.718
   53   2HD   LYS   6          2HD       LYS   6   2.751  -9.143  -8.959
   54   1HE   LYS   6          1HE       LYS   6   1.575 -10.910  -7.630
   55   2HE   LYS   6          2HE       LYS   6   0.056 -10.468  -8.386
   56   1HZ   LYS   6          1HZ       LYS   6   1.019 -11.038 -10.514
   57   2HZ   LYS   6          2HZ       LYS   6   2.434 -11.450  -9.809
   58   3HZ   LYS   6          3HZ       LYS   6   1.085 -12.315  -9.498
   59    H    CYS   7           H        CYS   7   0.563  -7.336  -4.907
   60    HA   CYS   7           HA       CYS   7   2.984  -7.294  -3.373
   61   1HB   CYS   7          1HB       CYS   7   1.780  -6.478  -1.304
   62   2HB   CYS   7          2HB       CYS   7   2.239  -5.273  -2.490
   63    H    SER   8           H        SER   8   2.893  -8.978  -1.676
   64    HA   SER   8           HA       SER   8   0.670 -10.793  -2.063
   65   1HB   SER   8          1HB       SER   8   2.061 -12.436  -0.867
   66   2HB   SER   8          2HB       SER   8   2.959 -11.727  -2.194
   67    HG   SER   8           HG       SER   8   3.939 -11.916   0.129
   68    H    GLU   9           H        GLU   9   1.915  -8.357   0.130
   69    HA   GLU   9           HA       GLU   9   0.194  -9.253   2.247
   70   1HB   GLU   9          1HB       GLU   9   3.109  -9.772   2.204
   71   2HB   GLU   9          2HB       GLU   9   2.572  -8.954   3.657
   72   1HG   GLU   9          1HG       GLU   9   1.231 -11.468   2.560
   73   2HG   GLU   9          2HG       GLU   9   2.507 -11.506   3.761
   74    HE2  GLU   9           HE2      GLU   9   0.385 -12.517   4.411
   75    H    SER  10           H        SER  10   0.484  -7.661   4.243
   76    HA   SER  10           HA       SER  10  -0.184  -5.264   2.890
   77   1HB   SER  10          1HB       SER  10  -0.347  -6.188   5.780
   78   2HB   SER  10          2HB       SER  10  -0.760  -4.545   5.330
   79    HG   SER  10           HG       SER  10  -1.957  -6.918   4.172
   80    H    TYR  11           H        TYR  11   2.445  -6.449   4.990
   81    HA   TYR  11           HA       TYR  11   3.342  -3.891   5.809
   82   1HB   TYR  11          1HB       TYR  11   5.133  -5.264   6.771
   83   2HB   TYR  11          2HB       TYR  11   3.689  -6.253   6.844
   84    HD1  TYR  11           HD1      TYR  11   3.549  -8.328   5.675
   85    HD2  TYR  11           HD2      TYR  11   6.825  -5.678   4.935
   86    HE1  TYR  11           HE1      TYR  11   4.745 -10.157   4.376
   87    HE2  TYR  11           HE2      TYR  11   8.009  -7.517   3.638
   88    HH   TYR  11           HH       TYR  11   7.952  -9.561   2.960
   89    H    GLN  12           H        GLN  12   3.567  -5.601   2.815
   90    HA   GLN  12           HA       GLN  12   5.989  -4.393   1.989
   91   1HB   GLN  12          1HB       GLN  12   3.700  -5.626   0.394
   92   2HB   GLN  12          2HB       GLN  12   5.229  -5.128  -0.302
   93   1HG   GLN  12          1HG       GLN  12   6.459  -6.794   0.888
   94   2HG   GLN  12          2HG       GLN  12   5.177  -7.040   2.057
   95   1HE2  GLN  12          1HE2      GLN  12   5.946  -9.275   1.203
   96   2HE2  GLN  12          2HE2      GLN  12   4.912  -9.990   0.010
   97    H    CYS  13           H        CYS  13   2.537  -3.507   2.041
   98    HA   CYS  13           HA       CYS  13   2.914  -1.524  -0.009
   99   1HB   CYS  13          1HB       CYS  13   0.471  -2.273   1.611
  100   2HB   CYS  13          2HB       CYS  13   0.492  -1.116   0.294
  101    H    PHE  14           H        PHE  14   2.623  -1.809   3.555
  102    HA   PHE  14           HA       PHE  14   1.300   0.577   3.982
  103   1HB   PHE  14          1HB       PHE  14   1.309  -0.757   5.899
  104   2HB   PHE  14          2HB       PHE  14   2.825  -1.516   5.455
  105    HD1  PHE  14           HD1      PHE  14   1.705   1.897   6.508
  106    HD2  PHE  14           HD2      PHE  14   4.520  -1.244   6.978
  107    HE1  PHE  14           HE1      PHE  14   2.889   3.223   8.281
  108    HE2  PHE  14           HE2      PHE  14   5.703   0.082   8.751
  109    HZ   PHE  14           HZ       PHE  14   4.874   2.299   9.380
  110    HA   PRO  15           HA       PRO  15   5.604   2.430   4.730
  111   1HB   PRO  15          1HB       PRO  15   7.814   1.139   3.774
  112   2HB   PRO  15          2HB       PRO  15   7.255   0.986   5.427
  113   1HG   PRO  15          1HG       PRO  15   7.025  -0.952   3.206
  114   2HG   PRO  15          2HG       PRO  15   6.868  -1.233   4.929
  115   1HD   PRO  15          1HD       PRO  15   4.736  -1.054   3.018
  116   2HD   PRO  15          2HD       PRO  15   4.576  -1.218   4.756
  117    H    VAL  16           H        VAL  16   5.070   0.776   1.731
  118    HA   VAL  16           HA       VAL  16   6.437   2.669   0.146
  119    HB   VAL  16           HB       VAL  16   4.933   0.252  -0.163
  120   1HG1  VAL  16          1HG1      VAL  16   3.095   1.605  -0.999
  121   2HG1  VAL  16          2HG1      VAL  16   4.191   2.466  -2.105
  122   3HG1  VAL  16          3HG1      VAL  16   3.861   0.735  -2.350
  123   1HG2  VAL  16          1HG2      VAL  16   7.256   0.601  -0.874
  124   2HG2  VAL  16          2HG2      VAL  16   6.238   0.076  -2.236
  125   3HG2  VAL  16          3HG2      VAL  16   6.713   1.785  -2.089
  126    H    CYS  17           H        CYS  17   3.137   2.416   1.504
  127    HA   CYS  17           HA       CYS  17   2.118   4.535  -0.084
  128   1HB   CYS  17          1HB       CYS  17   1.113   3.088   2.362
  129   2HB   CYS  17          2HB       CYS  17   0.260   4.460   1.684
  130    H    LYS  18           H        LYS  18   3.453   4.125   3.251
  131    HA   LYS  18           HA       LYS  18   2.812   6.718   4.113
  132   1HB   LYS  18          1HB       LYS  18   3.253   4.795   5.604
  133   2HB   LYS  18          2HB       LYS  18   4.938   4.803   5.122
  134   1HG   LYS  18          1HG       LYS  18   3.892   7.445   6.031
  135   2HG   LYS  18          2HG       LYS  18   3.920   6.207   7.271
  136   1HD   LYS  18          1HD       LYS  18   6.305   5.822   6.952
  137   2HD   LYS  18          2HD       LYS  18   6.334   6.812   5.507
  138   1HE   LYS  18          1HE       LYS  18   7.235   8.138   7.340
  139   2HE   LYS  18          2HE       LYS  18   5.679   8.813   6.903
  140   1HZ   LYS  18          1HZ       LYS  18   4.687   7.753   8.739
  141   2HZ   LYS  18          2HZ       LYS  18   6.013   6.857   9.065
  142   3HZ   LYS  18          3HZ       LYS  18   6.040   8.472   9.307
  143    H    SER  19           H        SER  19   5.563   5.316   2.322
  144    HA   SER  19           HA       SER  19   7.158   7.631   2.717
  145   1HB   SER  19          1HB       SER  19   8.217   5.442   2.437
  146   2HB   SER  19          2HB       SER  19   7.447   5.216   0.878
  147    HG   SER  19           HG       SER  19   9.440   7.205   1.557
  148    H    ARG  20           H        ARG  20   5.456   6.116  -0.148
  149    HA   ARG  20           HA       ARG  20   6.610   8.176  -1.740
  150   1HB   ARG  20          1HB       ARG  20   6.420   5.704  -2.406
  151   2HB   ARG  20          2HB       ARG  20   4.697   5.954  -2.605
  152   1HG   ARG  20          1HG       ARG  20   6.410   7.960  -3.997
  153   2HG   ARG  20          2HG       ARG  20   6.570   6.322  -4.599
  154   1HD   ARG  20          1HD       ARG  20   4.108   6.173  -4.926
  155   2HD   ARG  20          2HD       ARG  20   3.903   7.778  -4.255
  156    HE   ARG  20           HE       ARG  20   5.789   7.901  -6.419
  157   1HH1  ARG  20          1HH1      ARG  20   2.349   7.460  -5.821
  158   2HH1  ARG  20          2HH1      ARG  20   1.870   8.095  -7.359
  159   1HH2  ARG  20          1HH2      ARG  20   5.156   8.748  -8.446
  160   2HH2  ARG  20          2HH2      ARG  20   3.477   8.838  -8.861
  161    H    PHE  21           H        PHE  21   3.318   7.030  -0.770
  162    HA   PHE  21           HA       PHE  21   2.098   9.141  -2.331
  163   1HB   PHE  21          1HB       PHE  21   1.170   6.789  -0.590
  164   2HB   PHE  21          2HB       PHE  21   0.015   7.926  -1.260
  165    HD1  PHE  21           HD1      PHE  21  -0.603   7.843  -3.567
  166    HD2  PHE  21           HD2      PHE  21   2.493   5.334  -2.107
  167    HE1  PHE  21           HE1      PHE  21  -0.673   6.517  -5.696
  168    HE2  PHE  21           HE2      PHE  21   2.423   4.008  -4.236
  169    HZ   PHE  21           HZ       PHE  21   0.841   4.615  -6.006
  170    H    GLY  22           H        GLY  22   3.054   8.428   0.986
  171   1HA   GLY  22          1HA       GLY  22   3.294   9.947   2.656
  172   2HA   GLY  22          2HA       GLY  22   2.497  11.163   1.679
  173    H    LYS  23           H        LYS  23   1.042   7.952   2.242
  174    HA   LYS  23           HA       LYS  23  -1.198   9.304   3.499
  175   1HB   LYS  23          1HB       LYS  23  -0.833   6.522   2.358
  176   2HB   LYS  23          2HB       LYS  23  -2.290   7.045   3.177
  177   1HG   LYS  23          1HG       LYS  23  -1.657   9.102   1.291
  178   2HG   LYS  23          2HG       LYS  23  -1.442   7.582   0.445
  179   1HD   LYS  23          1HD       LYS  23  -3.741   8.077   0.125
  180   2HD   LYS  23          2HD       LYS  23  -3.751   6.892   1.417
  181   1HE   LYS  23          1HE       LYS  23  -5.210   8.590   2.209
  182   2HE   LYS  23          2HE       LYS  23  -3.710   8.915   3.055
  183   1HZ   LYS  23          1HZ       LYS  23  -4.724  10.872   2.017
  184   2HZ   LYS  23          2HZ       LYS  23  -3.200  10.606   1.495
  185   3HZ   LYS  23          3HZ       LYS  23  -4.469  10.227   0.539
  186    H    THR  24           H        THR  24  -2.315   7.802   5.295
  187    HA   THR  24           HA       THR  24  -0.413   7.812   7.438
  188    HB   THR  24           HB       THR  24  -2.630   6.952   8.616
  189    HG1  THR  24           HG1      THR  24  -3.657   6.328   6.606
  190   1HG2  THR  24          1HG2      THR  24  -3.640   9.216   8.534
  191   2HG2  THR  24          2HG2      THR  24  -1.873   9.358   8.699
  192   3HG2  THR  24          3HG2      THR  24  -2.644   9.625   7.117
  193    H    ASN  25           H        ASN  25  -1.988   5.352   5.387
  194    HA   ASN  25           HA       ASN  25  -0.156   3.416   6.338
  195   1HB   ASN  25          1HB       ASN  25  -2.096   3.509   8.092
  196   2HB   ASN  25          2HB       ASN  25  -3.110   2.822   6.838
  197   1HD2  ASN  25          1HD2      ASN  25  -0.160   2.362   8.715
  198   2HD2  ASN  25          2HD2      ASN  25  -0.110   0.632   8.652
  199    H    GLY  26           H        GLY  26  -0.672   1.214   5.165
  200   1HA   GLY  26          1HA       GLY  26  -2.690   1.369   3.074
  201   2HA   GLY  26          2HA       GLY  26  -1.029   1.254   2.528
  202    H    ARG  27           H        ARG  27  -3.149  -0.742   2.148
  203    HA   ARG  27           HA       ARG  27  -1.744  -2.930   3.399
  204   1HB   ARG  27          1HB       ARG  27  -4.740  -2.405   3.602
  205   2HB   ARG  27          2HB       ARG  27  -4.101  -4.030   3.750
  206   1HG   ARG  27          1HG       ARG  27  -2.459  -2.947   5.525
  207   2HG   ARG  27          2HG       ARG  27  -3.633  -1.647   5.565
  208   1HD   ARG  27          1HD       ARG  27  -4.269  -3.192   7.309
  209   2HD   ARG  27          2HD       ARG  27  -5.440  -3.394   6.021
  210    HE   ARG  27           HE       ARG  27  -3.284  -5.221   5.569
  211   1HH1  ARG  27          1HH1      ARG  27  -5.943  -4.701   7.814
  212   2HH1  ARG  27          2HH1      ARG  27  -6.122  -6.381   8.192
  213   1HH2  ARG  27          1HH2      ARG  27  -3.513  -7.438   6.074
  214   2HH2  ARG  27          2HH2      ARG  27  -4.726  -7.948   7.200
  215    H    CYS  28           H        CYS  28  -2.512  -5.114   2.332
  216    HA   CYS  28           HA       CYS  28  -2.435  -4.540  -0.501
  217   1HB   CYS  28          1HB       CYS  28  -0.801  -6.071   0.700
  218   2HB   CYS  28          2HB       CYS  28  -2.114  -7.222   0.846
  219    H    VAL  29           H        VAL  29  -4.470  -4.284  -1.397
  220    HA   VAL  29           HA       VAL  29  -6.591  -6.050  -0.422
  221    HB   VAL  29           HB       VAL  29  -6.638  -3.476  -2.007
  222   1HG1  VAL  29          1HG1      VAL  29  -8.479  -4.802  -2.778
  223   2HG1  VAL  29          2HG1      VAL  29  -8.903  -5.287  -1.119
  224   3HG1  VAL  29          3HG1      VAL  29  -9.128  -3.600  -1.638
  225   1HG2  VAL  29          1HG2      VAL  29  -7.712  -2.546   0.010
  226   2HG2  VAL  29          2HG2      VAL  29  -7.498  -4.108   0.837
  227   3HG2  VAL  29          3HG2      VAL  29  -6.076  -3.156   0.349
  228    H    ASN  30           H        ASN  30  -6.746  -7.933  -1.538
  229    HA   ASN  30           HA       ASN  30  -7.065  -9.287  -3.199
  230   1HB   ASN  30          1HB       ASN  30  -7.576  -6.798  -4.912
  231   2HB   ASN  30          2HB       ASN  30  -8.085  -8.429  -5.307
  232   1HD2  ASN  30          1HD2      ASN  30  -9.831  -6.291  -5.144
  233   2HD2  ASN  30          2HD2      ASN  30 -10.920  -6.495  -3.811
  234    H    GLY  31           H        GLY  31  -4.348  -8.176  -2.706
  235   1HA   GLY  31          1HA       GLY  31  -2.403  -9.007  -3.584
  236   2HA   GLY  31          2HA       GLY  31  -3.204  -9.325  -5.111
  237    H    PHE  32           H        PHE  32  -3.995  -6.176  -4.013
  238    HA   PHE  32           HA       PHE  32  -1.655  -4.990  -5.289
  239   1HB   PHE  32          1HB       PHE  32  -4.636  -4.552  -5.899
  240   2HB   PHE  32          2HB       PHE  32  -3.398  -3.441  -6.448
  241    HD1  PHE  32           HD1      PHE  32  -1.477  -4.493  -7.876
  242    HD2  PHE  32           HD2      PHE  32  -5.252  -6.330  -7.255
  243    HE1  PHE  32           HE1      PHE  32  -1.135  -5.890  -9.932
  244    HE2  PHE  32           HE2      PHE  32  -4.909  -7.728  -9.313
  245    HZ   PHE  32           HZ       PHE  32  -2.855  -7.491 -10.626
  246    H    CYS  33           H        CYS  33  -1.220  -2.793  -4.611
  247    HA   CYS  33           HA       CYS  33  -1.809  -2.650  -1.849
  248   1HB   CYS  33          1HB       CYS  33  -0.243  -0.826  -3.679
  249   2HB   CYS  33          2HB       CYS  33  -0.377  -0.588  -1.949
  250    H    ASP  34           H        ASP  34  -3.261  -1.269  -0.774
  251    HA   ASP  34           HA       ASP  34  -4.370   0.873  -2.408
  252   1HB   ASP  34          1HB       ASP  34  -6.078  -0.895  -1.972
  253   2HB   ASP  34          2HB       ASP  34  -5.788  -0.758  -0.249
  254    HD2  ASP  34           HD2      ASP  34  -7.615   2.250  -0.015
  255    H    CYS  35           H        CYS  35  -4.138   2.914  -1.422
  256    HA   CYS  35           HA       CYS  35  -2.920   2.862   1.227
  257   1HB   CYS  35          1HB       CYS  35  -2.951   5.134  -0.766
  258   2HB   CYS  35          2HB       CYS  35  -2.008   5.029   0.708
  259    H    PHE  36           H        PHE  36  -3.767   4.239   2.912
  260    HA   PHE  36           HA       PHE  36  -5.941   5.997   2.310
  261   1HB   PHE  36          1HB       PHE  36  -7.482   4.773   3.917
  262   2HB   PHE  36          2HB       PHE  36  -7.114   3.809   2.499
  263    HD1  PHE  36           HD1      PHE  36  -5.751   1.816   2.669
  264    HD2  PHE  36           HD2      PHE  36  -6.541   4.189   6.097
  265    HE1  PHE  36           HE1      PHE  36  -4.943  -0.047   4.145
  266    HE2  PHE  36           HE2      PHE  36  -5.732   2.327   7.572
  267    HZ   PHE  36           HZ       PHE  36  -4.943   0.231   6.580
  Start of MODEL    8
    1   1H    ARG   1          1H        ARG   1  -6.294   4.925  -1.780
    2   2H    ARG   1          2H        ARG   1  -7.574   5.953  -1.995
    3   3H    ARG   1          3H        ARG   1  -7.815   4.461  -1.318
    4    HA   ARG   1           HA       ARG   1  -8.557   4.116  -3.321
    5   1HB   ARG   1          1HB       ARG   1  -6.426   6.100  -4.136
    6   2HB   ARG   1          2HB       ARG   1  -6.992   4.968  -5.347
    7   1HG   ARG   1          1HG       ARG   1  -9.358   5.687  -4.896
    8   2HG   ARG   1          2HG       ARG   1  -8.770   6.844  -3.718
    9   1HD   ARG   1          1HD       ARG   1  -7.436   7.987  -5.507
   10   2HD   ARG   1          2HD       ARG   1  -8.024   6.830  -6.685
   11    HE   ARG   1           HE       ARG   1 -10.140   7.883  -6.667
   12   1HH1  ARG   1          1HH1      ARG   1  -8.260   9.016  -3.922
   13   2HH1  ARG   1          2HH1      ARG   1  -9.209  10.447  -3.695
   14   1HH2  ARG   1          1HH2      ARG   1 -11.420   9.756  -6.350
   15   2HH2  ARG   1          2HH2      ARG   1 -11.067  10.827  -5.034
   16    HA   PRO   2           HA       PRO   2  -5.649   0.867  -4.215
   17   1HB   PRO   2          1HB       PRO   2  -6.701  -0.142  -6.527
   18   2HB   PRO   2          2HB       PRO   2  -7.271  -0.600  -4.934
   19   1HG   PRO   2          1HG       PRO   2  -8.544   1.187  -6.916
   20   2HG   PRO   2          2HG       PRO   2  -9.268   0.389  -5.533
   21   1HD   PRO   2          1HD       PRO   2  -8.528   3.154  -5.727
   22   2HD   PRO   2          2HD       PRO   2  -9.143   2.331  -4.308
   23    H    THR   3           H        THR   3  -3.825   0.294  -5.489
   24    HA   THR   3           HA       THR   3  -3.370   2.244  -7.648
   25    HB   THR   3           HB       THR   3  -1.062   2.453  -6.884
   26    HG1  THR   3           HG1      THR   3  -0.376   1.016  -5.162
   27   1HG2  THR   3          1HG2      THR   3  -1.290   3.372  -4.657
   28   2HG2  THR   3          2HG2      THR   3  -2.844   3.687  -5.464
   29   3HG2  THR   3          3HG2      THR   3  -2.700   2.343  -4.307
   30    H    ASP   4           H        ASP   4  -0.877   1.118  -8.473
   31    HA   ASP   4           HA       ASP   4  -2.072  -1.162  -9.808
   32   1HB   ASP   4          1HB       ASP   4  -0.406  -0.749 -11.576
   33   2HB   ASP   4          2HB       ASP   4  -1.294   0.720 -11.225
   34    HD2  ASP   4           HD2      ASP   4   2.551   0.916 -11.152
   35    H    ILE   5           H        ILE   5  -0.072  -0.484  -7.213
   36    HA   ILE   5           HA       ILE   5   2.210  -2.064  -7.930
   37    HB   ILE   5           HB       ILE   5   1.378  -0.719  -5.357
   38   1HG1  ILE   5          1HG1      ILE   5   3.466   0.127  -7.383
   39   2HG1  ILE   5          2HG1      ILE   5   1.827   0.744  -7.363
   40   1HG2  ILE   5          1HG2      ILE   5   4.043  -1.967  -6.082
   41   2HG2  ILE   5          2HG2      ILE   5   3.659  -1.076  -4.590
   42   3HG2  ILE   5          3HG2      ILE   5   2.861  -2.631  -4.928
   43   1HD1  ILE   5          1HD1      ILE   5   2.229   1.384  -4.897
   44   2HD1  ILE   5          2HD1      ILE   5   3.949   1.037  -5.201
   45   3HD1  ILE   5          3HD1      ILE   5   3.126   2.325  -6.114
   46    H    LYS   6           H        LYS   6   2.057  -4.240  -8.055
   47    HA   LYS   6           HA       LYS   6   0.081  -5.674  -6.613
   48   1HB   LYS   6          1HB       LYS   6   0.944  -7.591  -7.697
   49   2HB   LYS   6          2HB       LYS   6   1.052  -6.284  -8.859
   50   1HG   LYS   6          1HG       LYS   6   3.475  -5.937  -8.119
   51   2HG   LYS   6          2HG       LYS   6   3.328  -7.390  -7.151
   52   1HD   LYS   6          1HD       LYS   6   2.732  -8.692  -9.213
   53   2HD   LYS   6          2HD       LYS   6   2.909  -7.238 -10.174
   54   1HE   LYS   6          1HE       LYS   6   5.305  -7.059  -9.463
   55   2HE   LYS   6          2HE       LYS   6   5.128  -8.515  -8.503
   56   1HZ   LYS   6          1HZ       LYS   6   6.042  -8.991 -10.657
   57   2HZ   LYS   6          2HZ       LYS   6   4.579  -9.705 -10.518
   58   3HZ   LYS   6          3HZ       LYS   6   4.745  -8.349 -11.413
   59    H    CYS   7           H        CYS   7   0.510  -7.374  -4.988
   60    HA   CYS   7           HA       CYS   7   2.958  -7.225  -3.543
   61   1HB   CYS   7          1HB       CYS   7   1.828  -6.481  -1.402
   62   2HB   CYS   7          2HB       CYS   7   2.205  -5.243  -2.583
   63    H    SER   8           H        SER   8   2.986  -8.917  -1.846
   64    HA   SER   8           HA       SER   8   0.818 -10.811  -2.209
   65   1HB   SER   8          1HB       SER   8   2.348 -12.471  -1.225
   66   2HB   SER   8          2HB       SER   8   3.116 -11.655  -2.573
   67    HG   SER   8           HG       SER   8   4.360 -11.936  -0.451
   68    H    GLU   9           H        GLU   9   2.036  -8.393  -0.045
   69    HA   GLU   9           HA       GLU   9   0.497  -9.417   2.145
   70   1HB   GLU   9          1HB       GLU   9   3.335  -9.963   1.930
   71   2HB   GLU   9          2HB       GLU   9   3.070  -8.883   3.285
   72   1HG   GLU   9          1HG       GLU   9   1.289 -11.312   2.922
   73   2HG   GLU   9          2HG       GLU   9   2.877 -11.496   3.640
   74    HE2  GLU   9           HE2      GLU   9   0.162  -9.292   5.644
   75    H    SER  10           H        SER  10   0.670  -7.812   4.099
   76    HA   SER  10           HA       SER  10  -0.060  -5.423   2.737
   77   1HB   SER  10          1HB       SER  10  -0.319  -6.334   5.632
   78   2HB   SER  10          2HB       SER  10  -0.885  -4.771   5.080
   79    HG   SER  10           HG       SER  10  -2.475  -6.638   5.111
   80    H    TYR  11           H        TYR  11   2.506  -6.564   4.923
   81    HA   TYR  11           HA       TYR  11   3.333  -3.993   5.787
   82   1HB   TYR  11          1HB       TYR  11   5.105  -5.335   6.797
   83   2HB   TYR  11          2HB       TYR  11   3.701  -6.384   6.784
   84    HD1  TYR  11           HD1      TYR  11   6.881  -5.628   5.012
   85    HD2  TYR  11           HD2      TYR  11   3.702  -8.436   5.572
   86    HE1  TYR  11           HE1      TYR  11   8.193  -7.382   3.722
   87    HE2  TYR  11           HE2      TYR  11   5.025 -10.181   4.281
   88    HH   TYR  11           HH       TYR  11   8.241  -9.402   2.976
   89    H    GLN  12           H        GLN  12   3.627  -5.664   2.780
   90    HA   GLN  12           HA       GLN  12   6.025  -4.390   1.988
   91   1HB   GLN  12          1HB       GLN  12   3.760  -5.612   0.351
   92   2HB   GLN  12          2HB       GLN  12   5.290  -5.084  -0.319
   93   1HG   GLN  12          1HG       GLN  12   6.526  -6.760   0.864
   94   2HG   GLN  12          2HG       GLN  12   5.214  -7.064   1.985
   95   1HE2  GLN  12          1HE2      GLN  12   6.073  -9.251   1.056
   96   2HE2  GLN  12          2HE2      GLN  12   5.086  -9.942  -0.189
   97    H    CYS  13           H        CYS  13   2.556  -3.562   2.052
   98    HA   CYS  13           HA       CYS  13   2.903  -1.556   0.019
   99   1HB   CYS  13          1HB       CYS  13   0.474  -2.403   1.610
  100   2HB   CYS  13          2HB       CYS  13   0.463  -1.197   0.340
  101    H    PHE  14           H        PHE  14   2.575  -1.873   3.579
  102    HA   PHE  14           HA       PHE  14   1.229   0.511   3.995
  103   1HB   PHE  14          1HB       PHE  14   1.183  -0.861   5.889
  104   2HB   PHE  14          2HB       PHE  14   2.721  -1.597   5.488
  105    HD1  PHE  14           HD1      PHE  14   1.521   1.786   6.548
  106    HD2  PHE  14           HD2      PHE  14   4.366  -1.320   7.064
  107    HE1  PHE  14           HE1      PHE  14   2.627   3.103   8.376
  108    HE2  PHE  14           HE2      PHE  14   5.472  -0.003   8.892
  109    HZ   PHE  14           HZ       PHE  14   4.590   2.193   9.526
  110    HA   PRO  15           HA       PRO  15   5.529   2.350   4.817
  111   1HB   PRO  15          1HB       PRO  15   7.743   1.049   3.884
  112   2HB   PRO  15          2HB       PRO  15   7.170   0.904   5.534
  113   1HG   PRO  15          1HG       PRO  15   6.953  -1.042   3.319
  114   2HG   PRO  15          2HG       PRO  15   6.782  -1.315   5.042
  115   1HD   PRO  15          1HD       PRO  15   4.665  -1.139   3.114
  116   2HD   PRO  15          2HD       PRO  15   4.491  -1.296   4.851
  117    H    VAL  16           H        VAL  16   5.008   0.686   1.823
  118    HA   VAL  16           HA       VAL  16   6.418   2.550   0.241
  119    HB   VAL  16           HB       VAL  16   4.884   0.150  -0.068
  120   1HG1  VAL  16          1HG1      VAL  16   3.080   1.526  -0.943
  121   2HG1  VAL  16          2HG1      VAL  16   4.206   2.356  -2.043
  122   3HG1  VAL  16          3HG1      VAL  16   3.850   0.627  -2.273
  123   1HG2  VAL  16          1HG2      VAL  16   6.218  -0.064  -2.120
  124   2HG2  VAL  16          2HG2      VAL  16   6.717   1.640  -1.980
  125   3HG2  VAL  16          3HG2      VAL  16   7.223   0.459  -0.747
  126    H    CYS  17           H        CYS  17   3.106   2.359   1.570
  127    HA   CYS  17           HA       CYS  17   2.112   4.455  -0.053
  128   1HB   CYS  17          1HB       CYS  17   1.105   3.125   2.461
  129   2HB   CYS  17          2HB       CYS  17   0.259   4.459   1.703
  130    H    LYS  18           H        LYS  18   3.528   4.121   3.251
  131    HA   LYS  18           HA       LYS  18   2.933   6.770   4.026
  132   1HB   LYS  18          1HB       LYS  18   3.273   4.881   5.593
  133   2HB   LYS  18          2HB       LYS  18   4.966   4.818   5.146
  134   1HG   LYS  18          1HG       LYS  18   5.494   6.766   6.289
  135   2HG   LYS  18          2HG       LYS  18   3.940   7.509   5.967
  136   1HD   LYS  18          1HD       LYS  18   4.182   5.129   7.846
  137   2HD   LYS  18          2HD       LYS  18   4.463   6.762   8.415
  138   1HE   LYS  18          1HE       LYS  18   2.178   7.421   7.568
  139   2HE   LYS  18          2HE       LYS  18   1.901   5.759   7.087
  140   1HZ   LYS  18          1HZ       LYS  18   0.988   6.052   9.213
  141   2HZ   LYS  18          2HZ       LYS  18   2.340   5.163   9.438
  142   3HZ   LYS  18          3HZ       LYS  18   2.336   6.752   9.812
  143    H    SER  19           H        SER  19   5.580   5.204   2.246
  144    HA   SER  19           HA       SER  19   7.320   7.420   2.594
  145   1HB   SER  19          1HB       SER  19   8.247   5.178   2.300
  146   2HB   SER  19          2HB       SER  19   7.417   4.982   0.769
  147    HG   SER  19           HG       SER  19   8.798   6.423  -0.226
  148    H    ARG  20           H        ARG  20   5.511   5.992  -0.259
  149    HA   ARG  20           HA       ARG  20   6.777   8.012  -1.828
  150   1HB   ARG  20          1HB       ARG  20   6.412   5.460  -2.399
  151   2HB   ARG  20          2HB       ARG  20   4.798   5.949  -2.873
  152   1HG   ARG  20          1HG       ARG  20   6.656   7.825  -4.036
  153   2HG   ARG  20          2HG       ARG  20   7.255   6.212  -4.363
  154   1HD   ARG  20          1HD       ARG  20   5.789   6.641  -6.184
  155   2HD   ARG  20          2HD       ARG  20   4.829   5.638  -5.114
  156    HE   ARG  20           HE       ARG  20   4.436   8.398  -4.417
  157   1HH1  ARG  20          1HH1      ARG  20   3.698   6.159  -7.028
  158   2HH1  ARG  20          2HH1      ARG  20   2.202   6.929  -7.437
  159   1HH2  ARG  20          1HH2      ARG  20   2.450   9.403  -4.941
  160   2HH2  ARG  20          2HH2      ARG  20   1.497   8.798  -6.256
  161    H    PHE  21           H        PHE  21   3.505   7.081  -0.697
  162    HA   PHE  21           HA       PHE  21   2.328   9.181  -2.340
  163   1HB   PHE  21          1HB       PHE  21   1.272   6.878  -0.598
  164   2HB   PHE  21          2HB       PHE  21   0.200   8.015  -1.391
  165    HD1  PHE  21           HD1      PHE  21   2.703   5.366  -1.987
  166    HD2  PHE  21           HD2      PHE  21  -0.320   7.804  -3.699
  167    HE1  PHE  21           HE1      PHE  21   2.733   3.950  -4.059
  168    HE2  PHE  21           HE2      PHE  21  -0.289   6.387  -5.771
  169    HZ   PHE  21           HZ       PHE  21   1.238   4.476  -5.926
  170    H    GLY  22           H        GLY  22   3.140   8.314   1.000
  171   1HA   GLY  22          1HA       GLY  22   3.409   9.776   2.724
  172   2HA   GLY  22          2HA       GLY  22   2.686  11.056   1.769
  173    H    LYS  23           H        LYS  23   1.100   7.883   2.166
  174    HA   LYS  23           HA       LYS  23  -1.142   9.288   3.361
  175   1HB   LYS  23          1HB       LYS  23  -0.847   6.531   2.137
  176   2HB   LYS  23          2HB       LYS  23  -2.323   7.109   2.885
  177   1HG   LYS  23          1HG       LYS  23  -1.464   9.183   1.109
  178   2HG   LYS  23          2HG       LYS  23  -1.282   7.679   0.227
  179   1HD   LYS  23          1HD       LYS  23  -3.527   8.323  -0.209
  180   2HD   LYS  23          2HD       LYS  23  -3.679   7.092   1.028
  181   1HE   LYS  23          1HE       LYS  23  -5.098   8.867   1.766
  182   2HE   LYS  23          2HE       LYS  23  -3.663   9.008   2.761
  183   1HZ   LYS  23          1HZ       LYS  23  -4.463  11.096   1.723
  184   2HZ   LYS  23          2HZ       LYS  23  -2.890  10.764   1.436
  185   3HZ   LYS  23          3HZ       LYS  23  -4.002  10.515   0.267
  186    H    THR  24           H        THR  24  -2.409   7.840   5.072
  187    HA   THR  24           HA       THR  24  -0.559   7.901   7.268
  188    HB   THR  24           HB       THR  24  -2.854   7.347   8.458
  189    HG1  THR  24           HG1      THR  24  -3.838   6.583   6.446
  190   1HG2  THR  24          1HG2      THR  24  -3.695   9.655   8.121
  191   2HG2  THR  24          2HG2      THR  24  -1.925   9.689   8.305
  192   3HG2  THR  24          3HG2      THR  24  -2.656   9.841   6.689
  193    H    ASN  25           H        ASN  25  -2.135   5.429   5.279
  194    HA   ASN  25           HA       ASN  25  -0.510   3.460   6.497
  195   1HB   ASN  25          1HB       ASN  25  -2.526   3.668   8.086
  196   2HB   ASN  25          2HB       ASN  25  -3.541   3.126   6.764
  197   1HD2  ASN  25          1HD2      ASN  25  -4.087   1.384   8.198
  198   2HD2  ASN  25          2HD2      ASN  25  -3.096  -0.036   8.264
  199    H    GLY  26           H        GLY  26  -0.868   1.289   5.320
  200   1HA   GLY  26          1HA       GLY  26  -2.565   1.490   2.927
  201   2HA   GLY  26          2HA       GLY  26  -0.862   1.120   2.737
  202    H    ARG  27           H        ARG  27  -2.877  -0.688   1.900
  203    HA   ARG  27           HA       ARG  27  -2.163  -2.912   3.536
  204   1HB   ARG  27          1HB       ARG  27  -4.487  -1.731   4.288
  205   2HB   ARG  27          2HB       ARG  27  -5.121  -2.707   2.978
  206   1HG   ARG  27          1HG       ARG  27  -5.312  -4.206   4.760
  207   2HG   ARG  27          2HG       ARG  27  -3.745  -4.665   4.123
  208   1HD   ARG  27          1HD       ARG  27  -2.624  -3.193   5.808
  209   2HD   ARG  27          2HD       ARG  27  -4.188  -2.715   6.438
  210    HE   ARG  27           HE       ARG  27  -2.810  -5.229   6.951
  211   1HH1  ARG  27          1HH1      ARG  27  -5.962  -3.670   6.827
  212   2HH1  ARG  27          2HH1      ARG  27  -6.733  -4.862   7.819
  213   1HH2  ARG  27          1HH2      ARG  27  -3.831  -6.812   8.246
  214   2HH2  ARG  27          2HH2      ARG  27  -5.508  -6.652   8.646
  215    H    CYS  28           H        CYS  28  -2.384  -4.941   2.369
  216    HA   CYS  28           HA       CYS  28  -2.412  -4.503  -0.468
  217   1HB   CYS  28          1HB       CYS  28  -0.712  -5.904   0.757
  218   2HB   CYS  28          2HB       CYS  28  -1.972  -7.093   1.022
  219    H    VAL  29           H        VAL  29  -4.522  -4.241  -1.240
  220    HA   VAL  29           HA       VAL  29  -6.568  -6.035  -0.196
  221    HB   VAL  29           HB       VAL  29  -6.671  -3.550  -1.914
  222   1HG1  VAL  29          1HG1      VAL  29  -8.901  -5.352  -0.925
  223   2HG1  VAL  29          2HG1      VAL  29  -9.158  -3.690  -1.509
  224   3HG1  VAL  29          3HG1      VAL  29  -8.501  -4.928  -2.607
  225   1HG2  VAL  29          1HG2      VAL  29  -6.093  -3.108   0.419
  226   2HG2  VAL  29          2HG2      VAL  29  -7.741  -2.535   0.063
  227   3HG2  VAL  29          3HG2      VAL  29  -7.501  -4.051   0.964
  228    H    ASN  30           H        ASN  30  -6.651  -7.992  -1.190
  229    HA   ASN  30           HA       ASN  30  -6.825  -9.484  -2.756
  230   1HB   ASN  30          1HB       ASN  30  -7.789  -7.123  -4.455
  231   2HB   ASN  30          2HB       ASN  30  -7.989  -8.804  -4.908
  232   1HD2  ASN  30          1HD2      ASN  30  -9.128 -10.217  -3.374
  233   2HD2  ASN  30          2HD2      ASN  30 -10.461  -9.587  -2.468
  234    H    GLY  31           H        GLY  31  -4.210  -8.204  -2.486
  235   1HA   GLY  31          1HA       GLY  31  -2.310  -9.032  -3.469
  236   2HA   GLY  31          2HA       GLY  31  -3.195  -9.370  -4.944
  237    H    PHE  32           H        PHE  32  -3.983  -6.229  -3.849
  238    HA   PHE  32           HA       PHE  32  -1.700  -5.013  -5.198
  239   1HB   PHE  32          1HB       PHE  32  -4.693  -4.811  -5.806
  240   2HB   PHE  32          2HB       PHE  32  -3.641  -3.465  -6.200
  241    HD1  PHE  32           HD1      PHE  32  -4.803  -6.714  -7.202
  242    HD2  PHE  32           HD2      PHE  32  -1.742  -3.841  -7.819
  243    HE1  PHE  32           HE1      PHE  32  -4.207  -7.815  -9.377
  244    HE2  PHE  32           HE2      PHE  32  -1.146  -4.941  -9.995
  245    HZ   PHE  32           HZ       PHE  32  -2.386  -6.916 -10.747
  246    H    CYS  33           H        CYS  33  -1.282  -2.809  -4.539
  247    HA   CYS  33           HA       CYS  33  -1.832  -2.643  -1.769
  248   1HB   CYS  33          1HB       CYS  33  -0.323  -0.800  -3.632
  249   2HB   CYS  33          2HB       CYS  33  -0.416  -0.584  -1.895
  250    H    ASP  34           H        ASP  34  -3.149  -1.114  -0.663
  251    HA   ASP  34           HA       ASP  34  -4.446   0.852  -2.371
  252   1HB   ASP  34          1HB       ASP  34  -6.007  -1.042  -1.728
  253   2HB   ASP  34          2HB       ASP  34  -5.751  -0.636  -0.043
  254    HD2  ASP  34           HD2      ASP  34  -7.769   2.249  -0.263
  255    H    CYS  35           H        CYS  35  -4.227   2.948  -1.506
  256    HA   CYS  35           HA       CYS  35  -2.938   3.034   1.120
  257   1HB   CYS  35          1HB       CYS  35  -2.743   5.029  -1.146
  258   2HB   CYS  35          2HB       CYS  35  -1.893   5.108   0.384
  259    H    PHE  36           H        PHE  36  -3.771   4.472   2.701
  260    HA   PHE  36           HA       PHE  36  -5.809   6.350   1.989
  261   1HB   PHE  36          1HB       PHE  36  -7.454   5.173   3.597
  262   2HB   PHE  36          2HB       PHE  36  -7.183   4.321   2.090
  263    HD1  PHE  36           HD1      PHE  36  -5.850   2.262   2.048
  264    HD2  PHE  36           HD2      PHE  36  -6.674   4.269   5.695
  265    HE1  PHE  36           HE1      PHE  36  -5.178   0.210   3.329
  266    HE2  PHE  36           HE2      PHE  36  -6.003   2.217   6.976
  267    HZ   PHE  36           HZ       PHE  36  -5.263   0.212   5.778
  Start of MODEL    9
    1   1H    ARG   1          1H        ARG   1  -6.346   5.007  -1.464
    2   2H    ARG   1          2H        ARG   1  -7.530   6.142  -1.696
    3   3H    ARG   1          3H        ARG   1  -7.939   4.592  -1.277
    4    HA   ARG   1           HA       ARG   1  -8.420   4.662  -3.410
    5   1HB   ARG   1          1HB       ARG   1  -6.755   5.579  -5.132
    6   2HB   ARG   1          2HB       ARG   1  -7.459   6.780  -4.066
    7   1HG   ARG   1          1HG       ARG   1  -5.472   6.994  -2.774
    8   2HG   ARG   1          2HG       ARG   1  -4.843   5.447  -3.305
    9   1HD   ARG   1          1HD       ARG   1  -5.221   7.850  -5.157
   10   2HD   ARG   1          2HD       ARG   1  -3.706   7.455  -4.371
   11    HE   ARG   1           HE       ARG   1  -4.499   5.090  -5.663
   12   1HH1  ARG   1          1HH1      ARG   1  -3.486   8.342  -6.529
   13   2HH1  ARG   1          2HH1      ARG   1  -3.085   7.924  -8.161
   14   1HH2  ARG   1          1HH2      ARG   1  -4.021   4.544  -7.838
   15   2HH2  ARG   1          2HH2      ARG   1  -3.317   5.730  -8.885
   16    HA   PRO   2           HA       PRO   2  -5.859   1.125  -4.276
   17   1HB   PRO   2          1HB       PRO   2  -6.723   0.500  -6.791
   18   2HB   PRO   2          2HB       PRO   2  -7.545  -0.028  -5.337
   19   1HG   PRO   2          1HG       PRO   2  -8.322   2.100  -7.235
   20   2HG   PRO   2          2HG       PRO   2  -9.310   1.278  -6.043
   21   1HD   PRO   2          1HD       PRO   2  -8.215   3.921  -5.836
   22   2HD   PRO   2          2HD       PRO   2  -9.105   3.055  -4.599
   23    H    THR   3           H        THR   3  -4.061   0.346  -5.591
   24    HA   THR   3           HA       THR   3  -3.171   2.406  -7.487
   25    HB   THR   3           HB       THR   3  -0.942   2.321  -6.578
   26    HG1  THR   3           HG1      THR   3  -2.080   0.110  -5.015
   27   1HG2  THR   3          1HG2      THR   3  -1.168   2.825  -4.195
   28   2HG2  THR   3          2HG2      THR   3  -2.591   3.509  -5.018
   29   3HG2  THR   3          3HG2      THR   3  -2.732   1.979  -4.119
   30    H    ASP   4           H        ASP   4  -0.815   1.005  -8.284
   31    HA   ASP   4           HA       ASP   4  -2.023  -1.432  -9.335
   32   1HB   ASP   4          1HB       ASP   4  -0.760  -1.073 -11.420
   33   2HB   ASP   4          2HB       ASP   4  -1.792   0.305 -11.095
   34    HD2  ASP   4           HD2      ASP   4   1.327  -0.863 -11.038
   35    H    ILE   5           H        ILE   5  -0.155  -0.643  -6.956
   36    HA   ILE   5           HA       ILE   5   2.304  -1.976  -7.703
   37    HB   ILE   5           HB       ILE   5   1.349  -0.733  -5.121
   38   1HG1  ILE   5          1HG1      ILE   5   3.399   0.253  -7.126
   39   2HG1  ILE   5          2HG1      ILE   5   1.744   0.822  -7.040
   40   1HG2  ILE   5          1HG2      ILE   5   4.099  -1.808  -5.807
   41   2HG2  ILE   5          2HG2      ILE   5   3.614  -1.000  -4.297
   42   3HG2  ILE   5          3HG2      ILE   5   2.926  -2.587  -4.718
   43   1HD1  ILE   5          1HD1      ILE   5   3.013   2.393  -5.762
   44   2HD1  ILE   5          2HD1      ILE   5   2.206   1.365  -4.554
   45   3HD1  ILE   5          3HD1      ILE   5   3.924   1.106  -4.938
   46    H    LYS   6           H        LYS   6   2.404  -4.151  -7.764
   47    HA   LYS   6           HA       LYS   6   0.350  -5.694  -6.514
   48   1HB   LYS   6          1HB       LYS   6   1.477  -6.147  -8.756
   49   2HB   LYS   6          2HB       LYS   6   2.871  -6.703  -7.851
   50   1HG   LYS   6          1HG       LYS   6   1.456  -8.385  -6.674
   51   2HG   LYS   6          2HG       LYS   6   0.042  -7.814  -7.538
   52   1HD   LYS   6          1HD       LYS   6   1.273  -8.373  -9.720
   53   2HD   LYS   6          2HD       LYS   6   2.509  -9.143  -8.746
   54   1HE   LYS   6          1HE       LYS   6  -0.454  -9.895  -8.719
   55   2HE   LYS   6          2HE       LYS   6   0.792 -10.771  -9.585
   56   1HZ   LYS   6          1HZ       LYS   6   0.521 -11.836  -7.547
   57   2HZ   LYS   6          2HZ       LYS   6   1.911 -10.997  -7.378
   58   3HZ   LYS   6          3HZ       LYS   6   0.537 -10.450  -6.684
   59    H    CYS   7           H        CYS   7   0.570  -7.191  -4.784
   60    HA   CYS   7           HA       CYS   7   3.040  -7.135  -3.302
   61   1HB   CYS   7          1HB       CYS   7   1.802  -6.468  -1.191
   62   2HB   CYS   7          2HB       CYS   7   2.212  -5.196  -2.323
   63    H    SER   8           H        SER   8   3.075  -8.895  -1.700
   64    HA   SER   8           HA       SER   8   0.951 -10.813  -2.137
   65   1HB   SER   8          1HB       SER   8   2.491 -12.386  -0.911
   66   2HB   SER   8          2HB       SER   8   3.181 -11.721  -2.379
   67    HG   SER   8           HG       SER   8   4.244 -11.642   0.059
   68    H    GLU   9           H        GLU   9   2.157  -8.459   0.162
   69    HA   GLU   9           HA       GLU   9   0.287  -9.374   2.140
   70   1HB   GLU   9          1HB       GLU   9   3.271  -9.627   2.427
   71   2HB   GLU   9          2HB       GLU   9   2.360  -9.134   3.841
   72   1HG   GLU   9          1HG       GLU   9   2.110 -11.396   4.149
   73   2HG   GLU   9          2HG       GLU   9   0.788 -11.206   3.014
   74    HE2  GLU   9           HE2      GLU   9   1.044 -13.141   2.266
   75    H    SER  10           H        SER  10   0.472  -7.766   4.175
   76    HA   SER  10           HA       SER  10  -0.182  -5.393   2.750
   77   1HB   SER  10          1HB       SER  10  -0.517  -6.179   5.677
   78   2HB   SER  10          2HB       SER  10  -1.128  -4.685   4.995
   79    HG   SER  10           HG       SER  10  -2.662  -6.570   5.111
   80    H    TYR  11           H        TYR  11   2.318  -6.536   4.999
   81    HA   TYR  11           HA       TYR  11   3.131  -3.978   5.902
   82   1HB   TYR  11          1HB       TYR  11   4.913  -5.335   6.901
   83   2HB   TYR  11          2HB       TYR  11   3.487  -6.354   6.902
   84    HD1  TYR  11           HD1      TYR  11   3.445  -8.417   5.713
   85    HD2  TYR  11           HD2      TYR  11   6.665  -5.668   5.093
   86    HE1  TYR  11           HE1      TYR  11   4.724 -10.195   4.423
   87    HE2  TYR  11           HE2      TYR  11   7.933  -7.455   3.805
   88    HH   TYR  11           HH       TYR  11   7.961  -9.501   3.123
   89    H    GLN  12           H        GLN  12   3.499  -5.627   2.888
   90    HA   GLN  12           HA       GLN  12   5.933  -4.363   2.184
   91   1HB   GLN  12          1HB       GLN  12   3.751  -5.622   0.465
   92   2HB   GLN  12          2HB       GLN  12   5.312  -5.104  -0.139
   93   1HG   GLN  12          1HG       GLN  12   6.488  -6.732   1.216
   94   2HG   GLN  12          2HG       GLN  12   5.056  -7.085   2.161
   95   1HE2  GLN  12          1HE2      GLN  12   6.306  -9.162   1.142
   96   2HE2  GLN  12          2HE2      GLN  12   5.458  -9.871  -0.192
   97    H    CYS  13           H        CYS  13   2.503  -3.496   2.222
   98    HA   CYS  13           HA       CYS  13   2.830  -1.557   0.124
   99   1HB   CYS  13          1HB       CYS  13   0.434  -2.303   1.813
  100   2HB   CYS  13          2HB       CYS  13   0.409  -1.133   0.508
  101    H    PHE  14           H        PHE  14   2.613  -1.763   3.700
  102    HA   PHE  14           HA       PHE  14   1.325   0.653   4.094
  103   1HB   PHE  14          1HB       PHE  14   1.334  -0.652   6.033
  104   2HB   PHE  14          2HB       PHE  14   2.840  -1.434   5.591
  105    HD1  PHE  14           HD1      PHE  14   1.753   2.005   6.594
  106    HD2  PHE  14           HD2      PHE  14   4.554  -1.144   7.088
  107    HE1  PHE  14           HE1      PHE  14   2.963   3.353   8.331
  108    HE2  PHE  14           HE2      PHE  14   5.764   0.204   8.824
  109    HZ   PHE  14           HZ       PHE  14   4.953   2.437   9.426
  110    HA   PRO  15           HA       PRO  15   5.675   2.451   4.705
  111   1HB   PRO  15          1HB       PRO  15   7.839   1.091   3.738
  112   2HB   PRO  15          2HB       PRO  15   7.320   1.002   5.410
  113   1HG   PRO  15          1HG       PRO  15   7.001  -1.004   3.262
  114   2HG   PRO  15          2HG       PRO  15   6.885  -1.224   4.996
  115   1HD   PRO  15          1HD       PRO  15   4.706  -1.072   3.135
  116   2HD   PRO  15          2HD       PRO  15   4.589  -1.176   4.880
  117    H    VAL  16           H        VAL  16   5.033   0.709   1.780
  118    HA   VAL  16           HA       VAL  16   6.413   2.512   0.102
  119    HB   VAL  16           HB       VAL  16   4.854   0.116  -0.091
  120   1HG1  VAL  16          1HG1      VAL  16   4.133   2.267  -2.110
  121   2HG1  VAL  16          2HG1      VAL  16   3.755   0.536  -2.275
  122   3HG1  VAL  16          3HG1      VAL  16   3.035   1.483  -0.950
  123   1HG2  VAL  16          1HG2      VAL  16   6.637   1.536  -2.099
  124   2HG2  VAL  16          2HG2      VAL  16   7.173   0.387  -0.849
  125   3HG2  VAL  16          3HG2      VAL  16   6.123  -0.167  -2.176
  126    H    CYS  17           H        CYS  17   3.146   2.392   1.543
  127    HA   CYS  17           HA       CYS  17   2.127   4.442  -0.135
  128   1HB   CYS  17          1HB       CYS  17   1.130   3.189   2.425
  129   2HB   CYS  17          2HB       CYS  17   0.272   4.474   1.599
  130    H    LYS  18           H        LYS  18   3.593   4.170   3.148
  131    HA   LYS  18           HA       LYS  18   3.041   6.830   3.899
  132   1HB   LYS  18          1HB       LYS  18   3.474   4.956   5.470
  133   2HB   LYS  18          2HB       LYS  18   5.146   4.916   4.951
  134   1HG   LYS  18          1HG       LYS  18   5.502   7.223   5.734
  135   2HG   LYS  18          2HG       LYS  18   3.800   7.401   6.109
  136   1HD   LYS  18          1HD       LYS  18   3.974   5.593   7.818
  137   2HD   LYS  18          2HD       LYS  18   5.668   5.372   7.426
  138   1HE   LYS  18          1HE       LYS  18   6.139   7.731   8.114
  139   2HE   LYS  18          2HE       LYS  18   4.445   7.962   8.495
  140   1HZ   LYS  18          1HZ       LYS  18   4.629   6.209  10.126
  141   2HZ   LYS  18          2HZ       LYS  18   6.208   5.985   9.768
  142   3HZ   LYS  18          3HZ       LYS  18   5.714   7.390  10.437
  143    H    SER  19           H        SER  19   5.633   5.235   2.050
  144    HA   SER  19           HA       SER  19   7.362   7.471   2.255
  145   1HB   SER  19          1HB       SER  19   8.282   5.226   1.949
  146   2HB   SER  19          2HB       SER  19   7.380   5.006   0.462
  147    HG   SER  19           HG       SER  19   9.601   5.591   0.049
  148    H    ARG  20           H        ARG  20   5.293   6.022  -0.386
  149    HA   ARG  20           HA       ARG  20   6.431   7.943  -2.159
  150   1HB   ARG  20          1HB       ARG  20   5.989   5.458  -2.695
  151   2HB   ARG  20          2HB       ARG  20   4.285   5.857  -2.777
  152   1HG   ARG  20          1HG       ARG  20   6.084   7.637  -4.368
  153   2HG   ARG  20          2HG       ARG  20   5.996   5.978  -4.924
  154   1HD   ARG  20          1HD       ARG  20   3.507   6.126  -5.018
  155   2HD   ARG  20          2HD       ARG  20   3.571   7.772  -4.421
  156    HE   ARG  20           HE       ARG  20   5.250   7.545  -6.744
  157   1HH1  ARG  20          1HH1      ARG  20   1.855   7.613  -5.822
  158   2HH1  ARG  20          2HH1      ARG  20   1.321   8.242  -7.345
  159   1HH2  ARG  20          1HH2      ARG  20   4.548   8.380  -8.752
  160   2HH2  ARG  20          2HH2      ARG  20   2.865   8.685  -9.022
  161    H    PHE  21           H        PHE  21   3.142   6.998  -0.946
  162    HA   PHE  21           HA       PHE  21   1.958   9.194  -2.406
  163   1HB   PHE  21          1HB       PHE  21   1.023   6.891  -0.610
  164   2HB   PHE  21          2HB       PHE  21  -0.109   8.113  -1.149
  165    HD1  PHE  21           HD1      PHE  21  -0.850   8.196  -3.447
  166    HD2  PHE  21           HD2      PHE  21   2.007   5.314  -2.208
  167    HE1  PHE  21           HE1      PHE  21  -1.206   6.926  -5.582
  168    HE2  PHE  21           HE2      PHE  21   1.651   4.043  -4.342
  169    HZ   PHE  21           HZ       PHE  21   0.048   4.864  -6.004
  170    H    GLY  22           H        GLY  22   3.095   8.412   0.838
  171   1HA   GLY  22          1HA       GLY  22   3.397   9.838   2.582
  172   2HA   GLY  22          2HA       GLY  22   2.573  11.109   1.702
  173    H    LYS  23           H        LYS  23   1.111   7.881   2.089
  174    HA   LYS  23           HA       LYS  23  -1.109   9.170   3.433
  175   1HB   LYS  23          1HB       LYS  23  -0.741   6.453   2.148
  176   2HB   LYS  23          2HB       LYS  23  -2.189   6.909   3.023
  177   1HG   LYS  23          1HG       LYS  23  -1.309   8.933   1.033
  178   2HG   LYS  23          2HG       LYS  23  -1.734   7.388   0.325
  179   1HD   LYS  23          1HD       LYS  23  -3.949   7.441   1.393
  180   2HD   LYS  23          2HD       LYS  23  -3.529   8.887   2.289
  181   1HE   LYS  23          1HE       LYS  23  -3.269  10.145   0.140
  182   2HE   LYS  23          2HE       LYS  23  -3.684   8.698  -0.758
  183   1HZ   LYS  23          1HZ       LYS  23  -5.428  10.041   1.190
  184   2HZ   LYS  23          2HZ       LYS  23  -5.587  10.104  -0.434
  185   3HZ   LYS  23          3HZ       LYS  23  -5.815   8.693   0.355
  186    H    THR  24           H        THR  24  -2.217   7.687   5.204
  187    HA   THR  24           HA       THR  24  -0.273   7.664   7.308
  188    HB   THR  24           HB       THR  24  -2.495   6.905   8.544
  189    HG1  THR  24           HG1      THR  24  -3.570   6.287   6.549
  190   1HG2  THR  24          1HG2      THR  24  -2.442   9.552   7.001
  191   2HG2  THR  24          2HG2      THR  24  -3.426   9.203   8.443
  192   3HG2  THR  24          3HG2      THR  24  -1.652   9.283   8.573
  193    H    ASN  25           H        ASN  25  -1.955   5.231   5.316
  194    HA   ASN  25           HA       ASN  25  -0.233   3.227   6.339
  195   1HB   ASN  25          1HB       ASN  25  -2.190   3.472   8.058
  196   2HB   ASN  25          2HB       ASN  25  -3.223   2.812   6.805
  197   1HD2  ASN  25          1HD2      ASN  25  -0.306   2.233   8.709
  198   2HD2  ASN  25          2HD2      ASN  25  -0.363   0.503   8.701
  199    H    GLY  26           H        GLY  26  -0.862   1.023   5.224
  200   1HA   GLY  26          1HA       GLY  26  -2.656   1.340   2.930
  201   2HA   GLY  26          2HA       GLY  26  -0.977   0.949   2.612
  202    H    ARG  27           H        ARG  27  -3.048  -0.811   1.853
  203    HA   ARG  27           HA       ARG  27  -2.354  -3.065   3.481
  204   1HB   ARG  27          1HB       ARG  27  -4.496  -2.066   4.465
  205   2HB   ARG  27          2HB       ARG  27  -5.292  -2.406   2.940
  206   1HG   ARG  27          1HG       ARG  27  -4.824  -4.824   3.189
  207   2HG   ARG  27          2HG       ARG  27  -3.909  -4.525   4.654
  208   1HD   ARG  27          1HD       ARG  27  -6.114  -5.240   5.347
  209   2HD   ARG  27          2HD       ARG  27  -6.017  -3.523   5.684
  210    HE   ARG  27           HE       ARG  27  -7.056  -3.938   3.025
  211   1HH1  ARG  27          1HH1      ARG  27  -7.995  -4.312   6.394
  212   2HH1  ARG  27          2HH1      ARG  27  -9.670  -3.979   6.098
  213   1HH2  ARG  27          1HH2      ARG  27  -9.266  -3.502   2.633
  214   2HH2  ARG  27          2HH2      ARG  27 -10.402  -3.551   3.938
  215    H    CYS  28           H        CYS  28  -2.578  -5.087   2.308
  216    HA   CYS  28           HA       CYS  28  -2.502  -4.647  -0.521
  217   1HB   CYS  28          1HB       CYS  28  -0.942  -6.141   0.857
  218   2HB   CYS  28          2HB       CYS  28  -2.258  -7.298   0.896
  219    H    VAL  29           H        VAL  29  -4.570  -4.301  -1.370
  220    HA   VAL  29           HA       VAL  29  -6.708  -6.065  -0.467
  221    HB   VAL  29           HB       VAL  29  -6.655  -3.554  -2.148
  222   1HG1  VAL  29          1HG1      VAL  29  -8.979  -5.329  -1.347
  223   2HG1  VAL  29          2HG1      VAL  29  -9.167  -3.652  -1.912
  224   3HG1  VAL  29          3HG1      VAL  29  -8.460  -4.879  -2.990
  225   1HG2  VAL  29          1HG2      VAL  29  -7.687  -4.091   0.657
  226   2HG2  VAL  29          2HG2      VAL  29  -6.228  -3.167   0.227
  227   3HG2  VAL  29          3HG2      VAL  29  -7.835  -2.553  -0.228
  228    H    ASN  30           H        ASN  30  -6.789  -8.005  -1.490
  229    HA   ASN  30           HA       ASN  30  -6.865  -9.484  -3.075
  230   1HB   ASN  30          1HB       ASN  30  -7.658  -7.101  -4.832
  231   2HB   ASN  30          2HB       ASN  30  -7.860  -8.779  -5.298
  232   1HD2  ASN  30          1HD2      ASN  30  -9.143 -10.163  -3.864
  233   2HD2  ASN  30          2HD2      ASN  30 -10.524  -9.504  -3.052
  234    H    GLY  31           H        GLY  31  -4.260  -8.231  -2.601
  235   1HA   GLY  31          1HA       GLY  31  -2.307  -9.096  -3.447
  236   2HA   GLY  31          2HA       GLY  31  -3.077  -9.384  -4.994
  237    H    PHE  32           H        PHE  32  -3.935  -6.261  -3.962
  238    HA   PHE  32           HA       PHE  32  -1.540  -5.043  -5.096
  239   1HB   PHE  32          1HB       PHE  32  -4.444  -4.943  -6.028
  240   2HB   PHE  32          2HB       PHE  32  -3.447  -3.522  -6.264
  241    HD1  PHE  32           HD1      PHE  32  -4.054  -6.962  -7.307
  242    HD2  PHE  32           HD2      PHE  32  -1.566  -3.564  -7.824
  243    HE1  PHE  32           HE1      PHE  32  -3.141  -7.953  -9.425
  244    HE2  PHE  32           HE2      PHE  32  -0.652  -4.554  -9.942
  245    HZ   PHE  32           HZ       PHE  32  -1.451  -6.738 -10.717
  246    H    CYS  33           H        CYS  33  -1.261  -2.774  -4.483
  247    HA   CYS  33           HA       CYS  33  -1.968  -2.683  -1.737
  248   1HB   CYS  33          1HB       CYS  33  -0.348  -0.794  -3.456
  249   2HB   CYS  33          2HB       CYS  33  -0.539  -0.636  -1.722
  250    H    ASP  34           H        ASP  34  -3.434  -1.256  -0.709
  251    HA   ASP  34           HA       ASP  34  -4.472   0.867  -2.415
  252   1HB   ASP  34          1HB       ASP  34  -6.191  -0.910  -1.882
  253   2HB   ASP  34          2HB       ASP  34  -5.958  -0.588  -0.176
  254    HD2  ASP  34           HD2      ASP  34  -8.554   1.553  -2.134
  255    H    CYS  35           H        CYS  35  -4.250   2.943  -1.474
  256    HA   CYS  35           HA       CYS  35  -2.930   2.902   1.135
  257   1HB   CYS  35          1HB       CYS  35  -2.747   4.987  -1.049
  258   2HB   CYS  35          2HB       CYS  35  -1.862   4.987   0.464
  259    H    PHE  36           H        PHE  36  -3.694   4.303   2.787
  260    HA   PHE  36           HA       PHE  36  -5.747   6.210   2.191
  261   1HB   PHE  36          1HB       PHE  36  -7.328   4.991   3.838
  262   2HB   PHE  36          2HB       PHE  36  -7.124   4.188   2.293
  263    HD1  PHE  36           HD1      PHE  36  -5.939   2.084   2.131
  264    HD2  PHE  36           HD2      PHE  36  -6.323   4.062   5.866
  265    HE1  PHE  36           HE1      PHE  36  -5.221  -0.010   3.314
  266    HE2  PHE  36           HE2      PHE  36  -5.605   1.968   7.049
  267    HZ   PHE  36           HZ       PHE  36  -5.063  -0.043   5.759
  Start of MODEL   10
    1   1H    ARG   1          1H        ARG   1  -7.923   5.232  -1.382
    2   2H    ARG   1          2H        ARG   1  -6.991   3.881  -1.164
    3   3H    ARG   1          3H        ARG   1  -6.292   5.296  -1.663
    4    HA   ARG   1           HA       ARG   1  -8.385   4.012  -3.145
    5   1HB   ARG   1          1HB       ARG   1  -6.175   6.000  -3.828
    6   2HB   ARG   1          2HB       ARG   1  -7.089   5.181  -5.078
    7   1HG   ARG   1          1HG       ARG   1  -9.222   6.065  -4.036
    8   2HG   ARG   1          2HG       ARG   1  -8.252   6.959  -2.882
    9   1HD   ARG   1          1HD       ARG   1  -7.142   8.186  -4.765
   10   2HD   ARG   1          2HD       ARG   1  -8.111   7.293  -5.919
   11    HE   ARG   1           HE       ARG   1  -9.880   8.496  -4.025
   12   1HH1  ARG   1          1HH1      ARG   1  -7.690   9.429  -6.618
   13   2HH1  ARG   1          2HH1      ARG   1  -8.565  10.870  -7.011
   14   1HH2  ARG   1          1HH2      ARG   1 -11.035  10.398  -4.544
   15   2HH2  ARG   1          2HH2      ARG   1 -10.480  11.426  -5.822
   16    HA   PRO   2           HA       PRO   2  -5.573   0.833  -4.260
   17   1HB   PRO   2          1HB       PRO   2  -6.623  -0.006  -6.640
   18   2HB   PRO   2          2HB       PRO   2  -7.256  -0.505  -5.085
   19   1HG   PRO   2          1HG       PRO   2  -8.379   1.442  -7.005
   20   2HG   PRO   2          2HG       PRO   2  -9.179   0.622  -5.678
   21   1HD   PRO   2          1HD       PRO   2  -8.286   3.347  -5.722
   22   2HD   PRO   2          2HD       PRO   2  -8.980   2.494  -4.358
   23    H    THR   3           H        THR   3  -3.831   0.136  -5.656
   24    HA   THR   3           HA       THR   3  -3.137   2.266  -7.565
   25    HB   THR   3           HB       THR   3  -0.762   1.959  -6.770
   26    HG1  THR   3           HG1      THR   3  -1.548  -0.286  -5.922
   27   1HG2  THR   3          1HG2      THR   3  -2.289   3.681  -5.625
   28   2HG2  THR   3          2HG2      THR   3  -2.622   2.443  -4.390
   29   3HG2  THR   3          3HG2      THR   3  -0.967   3.062  -4.607
   30    H    ASP   4           H        ASP   4  -0.753   1.046  -8.501
   31    HA   ASP   4           HA       ASP   4  -1.918  -1.311  -9.748
   32   1HB   ASP   4          1HB       ASP   4  -0.300  -0.938 -11.569
   33   2HB   ASP   4          2HB       ASP   4  -1.243   0.512 -11.292
   34    HD2  ASP   4           HD2      ASP   4   2.530   0.989 -11.419
   35    H    ILE   5           H        ILE   5   0.053  -0.417  -7.217
   36    HA   ILE   5           HA       ILE   5   2.391  -1.948  -7.789
   37    HB   ILE   5           HB       ILE   5   1.376  -0.628  -5.271
   38   1HG1  ILE   5          1HG1      ILE   5   3.575   0.280  -7.145
   39   2HG1  ILE   5          2HG1      ILE   5   1.913   0.821  -7.286
   40   1HG2  ILE   5          1HG2      ILE   5   3.649  -0.897  -4.401
   41   2HG2  ILE   5          2HG2      ILE   5   2.876  -2.470  -4.712
   42   3HG2  ILE   5          3HG2      ILE   5   4.096  -1.838  -5.844
   43   1HD1  ILE   5          1HD1      ILE   5   2.972   2.485  -5.949
   44   2HD1  ILE   5          2HD1      ILE   5   2.083   1.480  -4.779
   45   3HD1  ILE   5          3HD1      ILE   5   3.839   1.271  -4.979
   46    H    LYS   6           H        LYS   6   2.552  -4.118  -7.702
   47    HA   LYS   6           HA       LYS   6   0.378  -5.597  -6.546
   48   1HB   LYS   6          1HB       LYS   6   1.618  -6.078  -8.751
   49   2HB   LYS   6          2HB       LYS   6   2.901  -6.735  -7.756
   50   1HG   LYS   6          1HG       LYS   6   1.284  -8.307  -6.687
   51   2HG   LYS   6          2HG       LYS   6  -0.016  -7.640  -7.655
   52   1HD   LYS   6          1HD       LYS   6   1.350  -8.285  -9.737
   53   2HD   LYS   6          2HD       LYS   6   2.431  -9.156  -8.666
   54   1HE   LYS   6          1HE       LYS   6  -0.575  -9.660  -8.909
   55   2HE   LYS   6          2HE       LYS   6   0.670 -10.641  -9.655
   56   1HZ   LYS   6          1HZ       LYS   6   1.553 -10.948  -7.355
   57   2HZ   LYS   6          2HZ       LYS   6   0.175 -10.279  -6.790
   58   3HZ   LYS   6          3HZ       LYS   6   0.117 -11.665  -7.652
   59    H    CYS   7           H        CYS   7   0.532  -7.117  -4.814
   60    HA   CYS   7           HA       CYS   7   2.971  -7.147  -3.293
   61   1HB   CYS   7          1HB       CYS   7   1.802  -6.422  -1.195
   62   2HB   CYS   7          2HB       CYS   7   2.166  -5.156  -2.351
   63    H    SER   8           H        SER   8   2.866  -8.885  -1.625
   64    HA   SER   8           HA       SER   8   0.663 -10.704  -2.087
   65   1HB   SER   8          1HB       SER   8   2.019 -12.343  -0.847
   66   2HB   SER   8          2HB       SER   8   2.961 -11.624  -2.137
   67    HG   SER   8           HG       SER   8   3.804 -11.809   0.271
   68    H    GLU   9           H        GLU   9   1.821  -8.273   0.161
   69    HA   GLU   9           HA       GLU   9   0.016  -9.181   2.203
   70   1HB   GLU   9          1HB       GLU   9   3.023  -9.393   2.413
   71   2HB   GLU   9          2HB       GLU   9   2.096  -9.017   3.853
   72   1HG   GLU   9          1HG       GLU   9   1.525 -11.409   2.039
   73   2HG   GLU   9          2HG       GLU   9   2.504 -11.497   3.490
   74    HE2  GLU   9           HE2      GLU   9   1.530 -10.753   5.333
   75    H    SER  10           H        SER  10   0.194  -7.583   4.202
   76    HA   SER  10           HA       SER  10  -0.396  -5.182   2.801
   77   1HB   SER  10          1HB       SER  10  -0.775  -6.067   5.689
   78   2HB   SER  10          2HB       SER  10  -1.246  -4.476   5.127
   79    HG   SER  10           HG       SER  10  -3.024  -5.990   5.055
   80    H    TYR  11           H        TYR  11   2.056  -6.389   5.084
   81    HA   TYR  11           HA       TYR  11   2.936  -3.841   5.959
   82   1HB   TYR  11          1HB       TYR  11   4.651  -5.236   7.017
   83   2HB   TYR  11          2HB       TYR  11   3.197  -6.214   7.002
   84    HD1  TYR  11           HD1      TYR  11   3.108  -8.283   5.817
   85    HD2  TYR  11           HD2      TYR  11   6.443  -5.657   5.281
   86    HE1  TYR  11           HE1      TYR  11   4.362 -10.116   4.580
   87    HE2  TYR  11           HE2      TYR  11   7.686  -7.500   4.047
   88    HH   TYR  11           HH       TYR  11   7.657  -9.547   3.371
   89    H    GLN  12           H        GLN  12   3.298  -5.556   2.981
   90    HA   GLN  12           HA       GLN  12   5.797  -4.411   2.305
   91   1HB   GLN  12          1HB       GLN  12   3.595  -5.614   0.569
   92   2HB   GLN  12          2HB       GLN  12   5.184  -5.167  -0.020
   93   1HG   GLN  12          1HG       GLN  12   6.279  -6.821   1.354
   94   2HG   GLN  12          2HG       GLN  12   4.844  -7.076   2.327
   95   1HE2  GLN  12          1HE2      GLN  12   5.880  -9.270   1.440
   96   2HE2  GLN  12          2HE2      GLN  12   4.976  -9.976   0.143
   97    H    CYS  13           H        CYS  13   2.403  -3.403   2.235
   98    HA   CYS  13           HA       CYS  13   2.876  -1.497   0.133
   99   1HB   CYS  13          1HB       CYS  13   0.387  -2.073   1.754
  100   2HB   CYS  13          2HB       CYS  13   0.477  -0.991   0.379
  101    H    PHE  14           H        PHE  14   2.729  -1.693   3.679
  102    HA   PHE  14           HA       PHE  14   1.460   0.720   4.158
  103   1HB   PHE  14          1HB       PHE  14   1.566  -0.594   6.087
  104   2HB   PHE  14          2HB       PHE  14   3.038  -1.385   5.558
  105    HD1  PHE  14           HD1      PHE  14   4.801  -1.145   7.006
  106    HD2  PHE  14           HD2      PHE  14   2.071   2.078   6.601
  107    HE1  PHE  14           HE1      PHE  14   6.115   0.179   8.685
  108    HE2  PHE  14           HE2      PHE  14   3.385   3.402   8.281
  109    HZ   PHE  14           HZ       PHE  14   5.391   2.437   9.302
  110    HA   PRO  15           HA       PRO  15   5.834   2.524   4.538
  111   1HB   PRO  15          1HB       PRO  15   7.946   1.158   3.470
  112   2HB   PRO  15          2HB       PRO  15   7.517   1.085   5.168
  113   1HG   PRO  15          1HG       PRO  15   7.089  -0.942   3.059
  114   2HG   PRO  15          2HG       PRO  15   7.065  -1.146   4.800
  115   1HD   PRO  15          1HD       PRO  15   4.791  -1.016   3.055
  116   2HD   PRO  15          2HD       PRO  15   4.766  -1.103   4.805
  117    H    VAL  16           H        VAL  16   5.182   0.697   1.642
  118    HA   VAL  16           HA       VAL  16   6.338   2.492  -0.149
  119    HB   VAL  16           HB       VAL  16   4.464   0.245  -0.174
  120   1HG1  VAL  16          1HG1      VAL  16   3.626   0.748  -2.484
  121   2HG1  VAL  16          2HG1      VAL  16   2.937   1.786  -1.212
  122   3HG1  VAL  16          3HG1      VAL  16   4.215   2.415  -2.281
  123   1HG2  VAL  16          1HG2      VAL  16   6.553   1.204  -2.159
  124   2HG2  VAL  16          2HG2      VAL  16   6.845   0.093  -0.801
  125   3HG2  VAL  16          3HG2      VAL  16   5.774  -0.396  -2.135
  126    H    CYS  17           H        CYS  17   3.176   2.455   1.547
  127    HA   CYS  17           HA       CYS  17   2.091   4.483  -0.116
  128   1HB   CYS  17          1HB       CYS  17   1.188   3.208   2.463
  129   2HB   CYS  17          2HB       CYS  17   0.305   4.521   1.710
  130    H    LYS  18           H        LYS  18   3.690   4.249   3.101
  131    HA   LYS  18           HA       LYS  18   3.106   6.912   3.853
  132   1HB   LYS  18          1HB       LYS  18   3.553   5.071   5.445
  133   2HB   LYS  18          2HB       LYS  18   5.216   4.999   4.896
  134   1HG   LYS  18          1HG       LYS  18   4.286   7.724   5.671
  135   2HG   LYS  18          2HG       LYS  18   4.325   6.569   6.986
  136   1HD   LYS  18          1HD       LYS  18   6.694   6.040   6.504
  137   2HD   LYS  18          2HD       LYS  18   6.672   7.092   5.103
  138   1HE   LYS  18          1HE       LYS  18   6.176   9.052   6.586
  139   2HE   LYS  18          2HE       LYS  18   6.209   7.998   7.985
  140   1HZ   LYS  18          1HZ       LYS  18   8.492   7.462   7.452
  141   2HZ   LYS  18          2HZ       LYS  18   8.461   8.447   6.150
  142   3HZ   LYS  18          3HZ       LYS  18   8.314   9.073   7.652
  143    H    SER  19           H        SER  19   5.666   5.319   1.968
  144    HA   SER  19           HA       SER  19   7.414   7.540   2.178
  145   1HB   SER  19          1HB       SER  19   8.315   5.287   1.861
  146   2HB   SER  19          2HB       SER  19   7.410   5.082   0.375
  147    HG   SER  19           HG       SER  19   9.564   6.958   0.848
  148    H    ARG  20           H        ARG  20   5.301   6.122  -0.436
  149    HA   ARG  20           HA       ARG  20   6.389   8.033  -2.241
  150   1HB   ARG  20          1HB       ARG  20   5.913   5.633  -2.872
  151   2HB   ARG  20          2HB       ARG  20   4.199   5.938  -2.671
  152   1HG   ARG  20          1HG       ARG  20   4.231   7.617  -4.472
  153   2HG   ARG  20          2HG       ARG  20   5.974   7.498  -4.606
  154   1HD   ARG  20          1HD       ARG  20   4.096   5.132  -5.067
  155   2HD   ARG  20          2HD       ARG  20   4.660   6.176  -6.357
  156    HE   ARG  20           HE       ARG  20   6.957   5.327  -4.919
  157   1HH1  ARG  20          1HH1      ARG  20   4.498   4.022  -7.068
  158   2HH1  ARG  20          2HH1      ARG  20   5.446   2.647  -7.528
  159   1HH2  ARG  20          1HH2      ARG  20   8.207   3.506  -5.518
  160   2HH2  ARG  20          2HH2      ARG  20   7.587   2.375  -6.674
  161    H    PHE  21           H        PHE  21   3.109   7.171  -0.923
  162    HA   PHE  21           HA       PHE  21   2.004   9.461  -2.331
  163   1HB   PHE  21          1HB       PHE  21   0.892   7.074  -0.743
  164   2HB   PHE  21          2HB       PHE  21  -0.152   8.310  -1.419
  165    HD1  PHE  21           HD1      PHE  21  -0.342   8.554  -3.881
  166    HD2  PHE  21           HD2      PHE  21   1.842   5.370  -2.123
  167    HE1  PHE  21           HE1      PHE  21  -0.414   7.305  -6.057
  168    HE2  PHE  21           HE2      PHE  21   1.771   4.120  -4.298
  169    HZ   PHE  21           HZ       PHE  21   0.644   5.102  -6.240
  170    H    GLY  22           H        GLY  22   3.071   8.483   0.849
  171   1HA   GLY  22          1HA       GLY  22   3.395   9.842   2.635
  172   2HA   GLY  22          2HA       GLY  22   2.576  11.146   1.799
  173    H    LYS  23           H        LYS  23   1.074   7.932   2.131
  174    HA   LYS  23           HA       LYS  23  -1.088   9.185   3.588
  175   1HB   LYS  23          1HB       LYS  23  -0.770   6.451   2.321
  176   2HB   LYS  23          2HB       LYS  23  -2.204   6.968   3.185
  177   1HG   LYS  23          1HG       LYS  23  -1.590   9.076   1.359
  178   2HG   LYS  23          2HG       LYS  23  -1.390   7.588   0.456
  179   1HD   LYS  23          1HD       LYS  23  -3.693   8.107   0.186
  180   2HD   LYS  23          2HD       LYS  23  -3.687   6.868   1.425
  181   1HE   LYS  23          1HE       LYS  23  -5.133   8.534   2.308
  182   2HE   LYS  23          2HE       LYS  23  -3.622   8.812   3.151
  183   1HZ   LYS  23          1HZ       LYS  23  -3.121  10.574   1.673
  184   2HZ   LYS  23          2HZ       LYS  23  -4.393  10.241   0.704
  185   3HZ   LYS  23          3HZ       LYS  23  -4.643  10.818   2.212
  186    H    THR  24           H        THR  24  -2.117   7.645   5.375
  187    HA   THR  24           HA       THR  24  -0.104   7.623   7.414
  188    HB   THR  24           HB       THR  24  -2.269   6.784   8.703
  189    HG1  THR  24           HG1      THR  24  -3.392   6.191   6.727
  190   1HG2  THR  24          1HG2      THR  24  -2.321   9.469   7.225
  191   2HG2  THR  24          2HG2      THR  24  -3.250   9.063   8.688
  192   3HG2  THR  24          3HG2      THR  24  -1.475   9.178   8.763
  193    H    ASN  25           H        ASN  25  -1.791   5.192   5.422
  194    HA   ASN  25           HA       ASN  25  -0.026   3.192   6.369
  195   1HB   ASN  25          1HB       ASN  25  -1.930   3.419   8.159
  196   2HB   ASN  25          2HB       ASN  25  -2.990   2.735   6.942
  197   1HD2  ASN  25          1HD2      ASN  25  -3.073   1.200   8.874
  198   2HD2  ASN  25          2HD2      ASN  25  -2.035  -0.185   8.809
  199    H    GLY  26           H        GLY  26  -0.653   1.002   5.247
  200   1HA   GLY  26          1HA       GLY  26  -2.523   1.344   3.009
  201   2HA   GLY  26          2HA       GLY  26  -0.862   0.906   2.662
  202    H    ARG  27           H        ARG  27  -3.079  -0.771   1.999
  203    HA   ARG  27           HA       ARG  27  -2.199  -3.069   3.475
  204   1HB   ARG  27          1HB       ARG  27  -4.532  -3.890   3.848
  205   2HB   ARG  27          2HB       ARG  27  -4.227  -2.401   4.719
  206   1HG   ARG  27          1HG       ARG  27  -5.339  -1.094   2.917
  207   2HG   ARG  27          2HG       ARG  27  -5.597  -2.559   1.991
  208   1HD   ARG  27          1HD       ARG  27  -7.674  -2.201   3.111
  209   2HD   ARG  27          2HD       ARG  27  -6.895  -3.461   4.046
  210    HE   ARG  27           HE       ARG  27  -6.968  -0.567   4.832
  211   1HH1  ARG  27          1HH1      ARG  27  -5.853  -3.735   5.738
  212   2HH1  ARG  27          2HH1      ARG  27  -6.413  -3.640   7.373
  213   1HH2  ARG  27          1HH2      ARG  27  -7.666  -0.360   7.048
  214   2HH2  ARG  27          2HH2      ARG  27  -7.238  -1.609   8.169
  215    H    CYS  28           H        CYS  28  -2.960  -5.155   2.332
  216    HA   CYS  28           HA       CYS  28  -2.663  -4.590  -0.498
  217   1HB   CYS  28          1HB       CYS  28  -1.147  -6.151   0.900
  218   2HB   CYS  28          2HB       CYS  28  -2.461  -7.304   0.787
  219    H    VAL  29           H        VAL  29  -4.652  -4.326  -1.496
  220    HA   VAL  29           HA       VAL  29  -6.827  -6.087  -0.666
  221    HB   VAL  29           HB       VAL  29  -6.747  -3.645  -2.449
  222   1HG1  VAL  29          1HG1      VAL  29  -9.076  -5.352  -1.512
  223   2HG1  VAL  29          2HG1      VAL  29  -9.247  -3.735  -2.238
  224   3HG1  VAL  29          3HG1      VAL  29  -8.542  -5.067  -3.186
  225   1HG2  VAL  29          1HG2      VAL  29  -7.727  -4.028   0.400
  226   2HG2  VAL  29          2HG2      VAL  29  -6.324  -3.068  -0.129
  227   3HG2  VAL  29          3HG2      VAL  29  -7.970  -2.560  -0.577
  228    H    ASN  30           H        ASN  30  -6.754  -8.062  -1.644
  229    HA   ASN  30           HA       ASN  30  -6.927  -9.527  -3.231
  230   1HB   ASN  30          1HB       ASN  30  -7.486  -7.170  -5.109
  231   2HB   ASN  30          2HB       ASN  30  -7.895  -8.845  -5.426
  232   1HD2  ASN  30          1HD2      ASN  30  -9.747  -6.785  -5.455
  233   2HD2  ASN  30          2HD2      ASN  30 -10.880  -6.971  -4.159
  234    H    GLY  31           H        GLY  31  -4.292  -8.232  -2.702
  235   1HA   GLY  31          1HA       GLY  31  -2.287  -9.076  -3.451
  236   2HA   GLY  31          2HA       GLY  31  -3.001  -9.454  -5.005
  237    H    PHE  32           H        PHE  32  -3.934  -6.303  -4.040
  238    HA   PHE  32           HA       PHE  32  -1.543  -5.080  -5.177
  239   1HB   PHE  32          1HB       PHE  32  -4.465  -4.910  -6.072
  240   2HB   PHE  32          2HB       PHE  32  -3.385  -3.568  -6.388
  241    HD1  PHE  32           HD1      PHE  32  -4.257  -6.986  -7.288
  242    HD2  PHE  32           HD2      PHE  32  -1.521  -3.814  -7.963
  243    HE1  PHE  32           HE1      PHE  32  -3.456  -8.123  -9.378
  244    HE2  PHE  32           HE2      PHE  32  -0.720  -4.950 -10.052
  245    HZ   PHE  32           HZ       PHE  32  -1.696  -7.091 -10.734
  246    H    CYS  33           H        CYS  33  -1.289  -2.792  -4.581
  247    HA   CYS  33           HA       CYS  33  -1.921  -2.754  -1.818
  248   1HB   CYS  33          1HB       CYS  33  -0.337  -0.881  -3.580
  249   2HB   CYS  33          2HB       CYS  33  -0.545  -0.633  -1.858
  250    H    ASP  34           H        ASP  34  -3.216  -1.183  -0.687
  251    HA   ASP  34           HA       ASP  34  -4.369   0.885  -2.365
  252   1HB   ASP  34          1HB       ASP  34  -6.051  -0.973  -1.927
  253   2HB   ASP  34          2HB       ASP  34  -5.897  -0.650  -0.211
  254    HD2  ASP  34           HD2      ASP  34  -8.620   1.285  -2.070
  255    H    CYS  35           H        CYS  35  -4.192   2.924  -1.345
  256    HA   CYS  35           HA       CYS  35  -2.896   2.811   1.264
  257   1HB   CYS  35          1HB       CYS  35  -2.916   5.063  -0.755
  258   2HB   CYS  35          2HB       CYS  35  -1.986   5.000   0.730
  259    H    PHE  36           H        PHE  36  -3.655   4.182   2.990
  260    HA   PHE  36           HA       PHE  36  -5.841   5.965   2.483
  261   1HB   PHE  36          1HB       PHE  36  -7.376   4.749   4.029
  262   2HB   PHE  36          2HB       PHE  36  -6.914   3.678   2.721
  263    HD1  PHE  36           HD1      PHE  36  -5.237   1.886   3.130
  264    HD2  PHE  36           HD2      PHE  36  -6.772   4.270   6.287
  265    HE1  PHE  36           HE1      PHE  36  -4.434   0.192   4.799
  266    HE2  PHE  36           HE2      PHE  36  -5.969   2.576   7.956
  267    HZ   PHE  36           HZ       PHE  36  -4.809   0.558   7.193
  Start of MODEL   11
    1   1H    ARG   1          1H        ARG   1  -6.426   4.632  -1.415
    2   2H    ARG   1          2H        ARG   1  -7.628   5.755  -1.611
    3   3H    ARG   1          3H        ARG   1  -8.006   4.211  -1.148
    4    HA   ARG   1           HA       ARG   1  -8.575   4.169  -3.238
    5   1HB   ARG   1          1HB       ARG   1  -7.224   5.224  -5.077
    6   2HB   ARG   1          2HB       ARG   1  -7.740   6.393  -3.879
    7   1HG   ARG   1          1HG       ARG   1  -5.507   6.232  -2.758
    8   2HG   ARG   1          2HG       ARG   1  -4.990   5.062  -3.956
    9   1HD   ARG   1          1HD       ARG   1  -5.378   6.777  -5.765
   10   2HD   ARG   1          2HD       ARG   1  -5.830   7.946  -4.538
   11    HE   ARG   1           HE       ARG   1  -3.287   6.871  -3.819
   12   1HH1  ARG   1          1HH1      ARG   1  -4.725   8.902  -6.308
   13   2HH1  ARG   1          2HH1      ARG   1  -3.261   9.775  -6.621
   14   1HH2  ARG   1          1HH2      ARG   1  -1.356   8.022  -4.233
   15   2HH2  ARG   1          2HH2      ARG   1  -1.333   9.272  -5.433
   16    HA   PRO   2           HA       PRO   2  -5.830   0.806  -4.210
   17   1HB   PRO   2          1HB       PRO   2  -6.834   0.050  -6.637
   18   2HB   PRO   2          2HB       PRO   2  -7.503  -0.494  -5.112
   19   1HG   PRO   2          1HG       PRO   2  -8.574   1.520  -6.992
   20   2HG   PRO   2          2HG       PRO   2  -9.407   0.664  -5.709
   21   1HD   PRO   2          1HD       PRO   2  -8.496   3.383  -5.647
   22   2HD   PRO   2          2HD       PRO   2  -9.224   2.491  -4.326
   23    H    THR   3           H        THR   3  -4.063   0.142  -5.594
   24    HA   THR   3           HA       THR   3  -3.411   2.218  -7.565
   25    HB   THR   3           HB       THR   3  -1.158   2.376  -6.701
   26    HG1  THR   3           HG1      THR   3  -2.087   0.188  -4.975
   27   1HG2  THR   3          1HG2      THR   3  -2.894   2.038  -4.203
   28   2HG2  THR   3          2HG2      THR   3  -1.416   3.017  -4.356
   29   3HG2  THR   3          3HG2      THR   3  -2.902   3.510  -5.203
   30    H    ASP   4           H        ASP   4  -0.938   1.052  -8.362
   31    HA   ASP   4           HA       ASP   4  -2.044  -1.357  -9.575
   32   1HB   ASP   4          1HB       ASP   4  -0.612  -0.865 -11.521
   33   2HB   ASP   4          2HB       ASP   4  -1.652   0.501 -11.171
   34    HD2  ASP   4           HD2      ASP   4   0.362   0.768 -12.636
   35    H    ILE   5           H        ILE   5  -0.168  -0.543  -7.081
   36    HA   ILE   5           HA       ILE   5   2.271  -1.914  -7.791
   37    HB   ILE   5           HB       ILE   5   1.316  -0.623  -5.235
   38   1HG1  ILE   5          1HG1      ILE   5   3.364   0.330  -7.257
   39   2HG1  ILE   5          2HG1      ILE   5   1.705   0.891  -7.190
   40   1HG2  ILE   5          1HG2      ILE   5   2.898  -2.458  -4.791
   41   2HG2  ILE   5          2HG2      ILE   5   4.067  -1.706  -5.901
   42   3HG2  ILE   5          3HG2      ILE   5   3.585  -0.862  -4.411
   43   1HD1  ILE   5          1HD1      ILE   5   2.958   2.499  -5.942
   44   2HD1  ILE   5          2HD1      ILE   5   2.155   1.491  -4.714
   45   3HD1  ILE   5          3HD1      ILE   5   3.876   1.235  -5.089
   46    H    LYS   6           H        LYS   6   2.529  -4.074  -7.661
   47    HA   LYS   6           HA       LYS   6   0.399  -5.620  -6.528
   48   1HB   LYS   6          1HB       LYS   6   2.972  -6.345  -7.953
   49   2HB   LYS   6          2HB       LYS   6   1.840  -7.537  -7.348
   50   1HG   LYS   6          1HG       LYS   6   0.022  -6.525  -8.731
   51   2HG   LYS   6          2HG       LYS   6   1.141  -5.314  -9.325
   52   1HD   LYS   6          1HD       LYS   6   1.188  -6.929 -11.041
   53   2HD   LYS   6          2HD       LYS   6   2.611  -7.338 -10.103
   54   1HE   LYS   6          1HE       LYS   6   1.352  -9.107  -8.903
   55   2HE   LYS   6          2HE       LYS   6  -0.120  -8.663  -9.744
   56   1HZ   LYS   6          1HZ       LYS   6   2.330  -9.645 -11.037
   57   2HZ   LYS   6          2HZ       LYS   6   0.972 -10.518 -10.786
   58   3HZ   LYS   6          3HZ       LYS   6   0.947  -9.248 -11.811
   59    H    CYS   7           H        CYS   7   0.646  -7.231  -4.838
   60    HA   CYS   7           HA       CYS   7   3.012  -7.139  -3.241
   61   1HB   CYS   7          1HB       CYS   7   1.762  -6.439  -1.166
   62   2HB   CYS   7          2HB       CYS   7   2.172  -5.172  -2.305
   63    H    SER   8           H        SER   8   2.919  -8.875  -1.572
   64    HA   SER   8           HA       SER   8   0.736 -10.719  -2.031
   65   1HB   SER   8          1HB       SER   8   2.099 -12.336  -0.770
   66   2HB   SER   8          2HB       SER   8   3.041 -11.620  -2.063
   67    HG   SER   8           HG       SER   8   3.843 -11.771   0.380
   68    H    GLU   9           H        GLU   9   1.894  -8.279   0.214
   69    HA   GLU   9           HA       GLU   9   0.033  -9.141   2.225
   70   1HB   GLU   9          1HB       GLU   9   3.031  -9.384   2.507
   71   2HB   GLU   9          2HB       GLU   9   2.075  -8.983   3.921
   72   1HG   GLU   9          1HG       GLU   9   1.524 -11.389   2.120
   73   2HG   GLU   9          2HG       GLU   9   2.461 -11.470   3.600
   74    HE2  GLU   9           HE2      GLU   9   1.442 -10.690   5.404
   75    H    SER  10           H        SER  10   0.172  -7.518   4.203
   76    HA   SER  10           HA       SER  10  -0.349  -5.134   2.743
   77   1HB   SER  10          1HB       SER  10  -0.885  -6.039   5.594
   78   2HB   SER  10          2HB       SER  10  -1.235  -4.401   5.081
   79    HG   SER  10           HG       SER  10  -3.092  -5.813   4.873
   80    H    TYR  11           H        TYR  11   2.011  -6.333   5.120
   81    HA   TYR  11           HA       TYR  11   2.882  -3.791   6.012
   82   1HB   TYR  11          1HB       TYR  11   4.565  -5.194   7.111
   83   2HB   TYR  11          2HB       TYR  11   3.107  -6.165   7.061
   84    HD1  TYR  11           HD1      TYR  11   6.391  -5.616   5.403
   85    HD2  TYR  11           HD2      TYR  11   3.045  -8.239   5.889
   86    HE1  TYR  11           HE1      TYR  11   7.655  -7.464   4.198
   87    HE2  TYR  11           HE2      TYR  11   4.321 -10.077   4.682
   88    HH   TYR  11           HH       TYR  11   7.631  -9.506   3.514
   89    H    GLN  12           H        GLN  12   3.325  -5.519   3.048
   90    HA   GLN  12           HA       GLN  12   5.841  -4.396   2.427
   91   1HB   GLN  12          1HB       GLN  12   3.652  -5.546   0.642
   92   2HB   GLN  12          2HB       GLN  12   5.255  -5.115   0.082
   93   1HG   GLN  12          1HG       GLN  12   6.306  -6.798   1.452
   94   2HG   GLN  12          2HG       GLN  12   4.856  -7.042   2.404
   95   1HE2  GLN  12          1HE2      GLN  12   5.867  -9.243   1.512
   96   2HE2  GLN  12          2HE2      GLN  12   4.969  -9.924   0.197
   97    H    CYS  13           H        CYS  13   2.459  -3.335   2.271
   98    HA   CYS  13           HA       CYS  13   3.027  -1.428   0.194
   99   1HB   CYS  13          1HB       CYS  13   0.472  -1.956   1.726
  100   2HB   CYS  13          2HB       CYS  13   0.633  -0.906   0.334
  101    H    PHE  14           H        PHE  14   2.737  -1.629   3.736
  102    HA   PHE  14           HA       PHE  14   1.461   0.787   4.160
  103   1HB   PHE  14          1HB       PHE  14   1.476  -0.528   6.090
  104   2HB   PHE  14          2HB       PHE  14   2.968  -1.322   5.627
  105    HD1  PHE  14           HD1      PHE  14   1.968   2.145   6.624
  106    HD2  PHE  14           HD2      PHE  14   4.662  -1.091   7.157
  107    HE1  PHE  14           HE1      PHE  14   3.209   3.464   8.362
  108    HE2  PHE  14           HE2      PHE  14   5.903   0.228   8.895
  109    HZ   PHE  14           HZ       PHE  14   5.162   2.490   9.476
  110    HA   PRO  15           HA       PRO  15   5.822   2.581   4.709
  111   1HB   PRO  15          1HB       PRO  15   7.969   1.202   3.732
  112   2HB   PRO  15          2HB       PRO  15   7.477   1.143   5.412
  113   1HG   PRO  15          1HG       PRO  15   7.122  -0.900   3.305
  114   2HG   PRO  15          2HG       PRO  15   7.033  -1.090   5.045
  115   1HD   PRO  15          1HD       PRO  15   4.826  -0.967   3.216
  116   2HD   PRO  15          2HD       PRO  15   4.734  -1.041   4.965
  117    H    VAL  16           H        VAL  16   5.285   0.729   1.804
  118    HA   VAL  16           HA       VAL  16   6.547   2.489   0.052
  119    HB   VAL  16           HB       VAL  16   4.653   0.258  -0.041
  120   1HG1  VAL  16          1HG1      VAL  16   3.205   1.792  -1.192
  121   2HG1  VAL  16          2HG1      VAL  16   4.548   2.400  -2.188
  122   3HG1  VAL  16          3HG1      VAL  16   3.961   0.734  -2.408
  123   1HG2  VAL  16          1HG2      VAL  16   6.864   1.162  -1.918
  124   2HG2  VAL  16          2HG2      VAL  16   7.065   0.072  -0.527
  125   3HG2  VAL  16          3HG2      VAL  16   6.067  -0.430  -1.912
  126    H    CYS  17           H        CYS  17   3.312   2.515   1.601
  127    HA   CYS  17           HA       CYS  17   2.304   4.472  -0.191
  128   1HB   CYS  17          1HB       CYS  17   1.264   3.351   2.414
  129   2HB   CYS  17          2HB       CYS  17   0.405   4.555   1.475
  130    H    LYS  18           H        LYS  18   3.771   4.369   3.091
  131    HA   LYS  18           HA       LYS  18   3.164   7.067   3.704
  132   1HB   LYS  18          1HB       LYS  18   3.528   5.304   5.399
  133   2HB   LYS  18          2HB       LYS  18   5.209   5.184   4.919
  134   1HG   LYS  18          1HG       LYS  18   5.695   7.425   5.662
  135   2HG   LYS  18          2HG       LYS  18   3.997   7.840   5.781
  136   1HD   LYS  18          1HD       LYS  18   4.818   7.446   8.033
  137   2HD   LYS  18          2HD       LYS  18   3.743   6.125   7.620
  138   1HE   LYS  18          1HE       LYS  18   5.626   4.644   7.131
  139   2HE   LYS  18          2HE       LYS  18   6.770   5.965   7.260
  140   1HZ   LYS  18          1HZ       LYS  18   6.215   6.173   9.571
  141   2HZ   LYS  18          2HZ       LYS  18   5.085   4.999   9.465
  142   3HZ   LYS  18          3HZ       LYS  18   6.663   4.633   9.262
  143    H    SER  19           H        SER  19   5.812   5.364   2.038
  144    HA   SER  19           HA       SER  19   7.565   7.574   2.191
  145   1HB   SER  19          1HB       SER  19   8.431   5.292   1.963
  146   2HB   SER  19          2HB       SER  19   7.569   5.068   0.453
  147    HG   SER  19           HG       SER  19   9.739   6.921   0.950
  148    H    ARG  20           H        ARG  20   5.335   6.189  -0.315
  149    HA   ARG  20           HA       ARG  20   6.506   7.905  -2.262
  150   1HB   ARG  20          1HB       ARG  20   5.833   5.539  -2.775
  151   2HB   ARG  20          2HB       ARG  20   4.157   5.953  -2.476
  152   1HG   ARG  20          1HG       ARG  20   4.466   6.053  -4.865
  153   2HG   ARG  20          2HG       ARG  20   4.335   7.712  -4.313
  154   1HD   ARG  20          1HD       ARG  20   6.747   8.035  -4.436
  155   2HD   ARG  20          2HD       ARG  20   7.028   6.322  -4.677
  156    HE   ARG  20           HE       ARG  20   5.290   7.240  -6.754
  157   1HH1  ARG  20          1HH1      ARG  20   8.624   7.611  -5.690
  158   2HH1  ARG  20          2HH1      ARG  20   9.233   7.909  -7.283
  159   1HH2  ARG  20          1HH2      ARG  20   6.094   7.634  -8.857
  160   2HH2  ARG  20          2HH2      ARG  20   7.784   7.929  -9.096
  161    H    PHE  21           H        PHE  21   3.144   7.317  -0.959
  162    HA   PHE  21           HA       PHE  21   2.312   9.722  -2.386
  163   1HB   PHE  21          1HB       PHE  21   0.728   7.486  -0.987
  164   2HB   PHE  21          2HB       PHE  21   0.052   8.678  -2.081
  165    HD1  PHE  21           HD1      PHE  21   1.417   8.719  -4.453
  166    HD2  PHE  21           HD2      PHE  21   0.988   5.382  -1.867
  167    HE1  PHE  21           HE1      PHE  21   1.814   7.170  -6.388
  168    HE2  PHE  21           HE2      PHE  21   1.385   3.833  -3.802
  169    HZ   PHE  21           HZ       PHE  21   1.793   4.745  -6.038
  170    H    GLY  22           H        GLY  22   3.069   8.555   0.785
  171   1HA   GLY  22          1HA       GLY  22   3.217   9.789   2.683
  172   2HA   GLY  22          2HA       GLY  22   2.436  11.136   1.879
  173    H    LYS  23           H        LYS  23   1.264   7.732   2.276
  174    HA   LYS  23           HA       LYS  23  -1.108   8.847   3.581
  175   1HB   LYS  23          1HB       LYS  23  -0.624   6.680   1.661
  176   2HB   LYS  23          2HB       LYS  23  -1.647   6.196   2.999
  177   1HG   LYS  23          1HG       LYS  23  -3.024   7.130   1.178
  178   2HG   LYS  23          2HG       LYS  23  -3.133   8.153   2.597
  179   1HD   LYS  23          1HD       LYS  23  -1.786   9.852   1.648
  180   2HD   LYS  23          2HD       LYS  23  -1.020   8.757   0.515
  181   1HE   LYS  23          1HE       LYS  23  -2.586  10.166  -0.719
  182   2HE   LYS  23          2HE       LYS  23  -3.209   8.528  -0.712
  183   1HZ   LYS  23          1HZ       LYS  23  -4.686   9.107   1.038
  184   2HZ   LYS  23          2HZ       LYS  23  -4.033  10.593   1.207
  185   3HZ   LYS  23          3HZ       LYS  23  -4.864  10.215  -0.148
  186    H    THR  24           H        THR  24  -2.078   7.409   5.355
  187    HA   THR  24           HA       THR  24   0.029   7.296   7.303
  188    HB   THR  24           HB       THR  24  -2.056   6.820   8.783
  189    HG1  THR  24           HG1      THR  24  -4.032   6.980   7.582
  190   1HG2  THR  24          1HG2      THR  24  -2.239   9.255   6.933
  191   2HG2  THR  24          2HG2      THR  24  -2.969   9.097   8.549
  192   3HG2  THR  24          3HG2      THR  24  -1.200   9.176   8.377
  193    H    ASN  25           H        ASN  25  -2.010   4.970   5.524
  194    HA   ASN  25           HA       ASN  25  -0.263   2.897   6.416
  195   1HB   ASN  25          1HB       ASN  25  -2.097   3.070   8.204
  196   2HB   ASN  25          2HB       ASN  25  -3.267   2.664   6.964
  197   1HD2  ASN  25          1HD2      ASN  25  -3.784   0.842   8.269
  198   2HD2  ASN  25          2HD2      ASN  25  -2.842  -0.610   8.200
  199    H    GLY  26           H        GLY  26  -0.717   0.843   5.131
  200   1HA   GLY  26          1HA       GLY  26  -2.636   1.175   2.930
  201   2HA   GLY  26          2HA       GLY  26  -0.952   0.869   2.551
  202    H    ARG  27           H        ARG  27  -3.381  -0.829   2.062
  203    HA   ARG  27           HA       ARG  27  -2.414  -3.163   3.487
  204   1HB   ARG  27          1HB       ARG  27  -5.315  -2.261   3.182
  205   2HB   ARG  27          2HB       ARG  27  -4.899  -3.920   3.564
  206   1HG   ARG  27          1HG       ARG  27  -3.678  -3.165   5.598
  207   2HG   ARG  27          2HG       ARG  27  -4.029  -1.494   5.206
  208   1HD   ARG  27          1HD       ARG  27  -6.494  -1.998   5.358
  209   2HD   ARG  27          2HD       ARG  27  -6.115  -3.648   5.808
  210    HE   ARG  27           HE       ARG  27  -4.675  -1.982   7.588
  211   1HH1  ARG  27          1HH1      ARG  27  -8.016  -2.788   6.835
  212   2HH1  ARG  27          2HH1      ARG  27  -8.610  -2.348   8.401
  213   1HH2  ARG  27          1HH2      ARG  27  -5.458  -1.394   9.654
  214   2HH2  ARG  27          2HH2      ARG  27  -7.141  -1.576  10.024
  215    H    CYS  28           H        CYS  28  -2.843  -5.225   2.316
  216    HA   CYS  28           HA       CYS  28  -2.612  -4.677  -0.507
  217   1HB   CYS  28          1HB       CYS  28  -1.019  -6.138   0.840
  218   2HB   CYS  28          2HB       CYS  28  -2.293  -7.340   0.875
  219    H    VAL  29           H        VAL  29  -4.684  -4.364  -1.373
  220    HA   VAL  29           HA       VAL  29  -6.763  -6.252  -0.596
  221    HB   VAL  29           HB       VAL  29  -6.806  -3.690  -2.203
  222   1HG1  VAL  29          1HG1      VAL  29  -9.302  -3.882  -1.948
  223   2HG1  VAL  29          2HG1      VAL  29  -8.569  -5.090  -3.031
  224   3HG1  VAL  29          3HG1      VAL  29  -9.056  -5.552  -1.382
  225   1HG2  VAL  29          1HG2      VAL  29  -7.757  -4.317   0.613
  226   2HG2  VAL  29          2HG2      VAL  29  -6.356  -3.314   0.165
  227   3HG2  VAL  29          3HG2      VAL  29  -8.004  -2.776  -0.242
  228    H    ASN  30           H        ASN  30  -6.703  -8.156  -1.702
  229    HA   ASN  30           HA       ASN  30  -6.911  -9.521  -3.372
  230   1HB   ASN  30          1HB       ASN  30  -7.531  -7.059  -5.089
  231   2HB   ASN  30          2HB       ASN  30  -7.934  -8.714  -5.500
  232   1HD2  ASN  30          1HD2      ASN  30  -9.803  -6.676  -5.362
  233   2HD2  ASN  30          2HD2      ASN  30 -10.906  -6.951  -4.055
  234    H    GLY  31           H        GLY  31  -4.271  -8.290  -2.818
  235   1HA   GLY  31          1HA       GLY  31  -2.269  -9.004  -3.668
  236   2HA   GLY  31          2HA       GLY  31  -3.022  -9.342  -5.214
  237    H    PHE  32           H        PHE  32  -3.962  -6.245  -4.045
  238    HA   PHE  32           HA       PHE  32  -1.654  -4.947  -5.280
  239   1HB   PHE  32          1HB       PHE  32  -4.638  -4.755  -5.900
  240   2HB   PHE  32          2HB       PHE  32  -3.638  -3.338  -6.149
  241    HD1  PHE  32           HD1      PHE  32  -4.455  -6.677  -7.350
  242    HD2  PHE  32           HD2      PHE  32  -1.906  -3.327  -7.884
  243    HE1  PHE  32           HE1      PHE  32  -3.788  -7.544  -9.610
  244    HE2  PHE  32           HE2      PHE  32  -1.239  -4.193 -10.143
  245    HZ   PHE  32           HZ       PHE  32  -2.189  -6.291 -10.979
  246    H    CYS  33           H        CYS  33  -1.242  -2.785  -4.501
  247    HA   CYS  33           HA       CYS  33  -1.865  -2.679  -1.741
  248   1HB   CYS  33          1HB       CYS  33  -0.310  -0.815  -3.541
  249   2HB   CYS  33          2HB       CYS  33  -0.477  -0.584  -1.813
  250    H    ASP  34           H        ASP  34  -3.345  -1.315  -0.676
  251    HA   ASP  34           HA       ASP  34  -4.535   0.755  -2.347
  252   1HB   ASP  34          1HB       ASP  34  -6.131  -1.116  -1.746
  253   2HB   ASP  34          2HB       ASP  34  -5.867  -0.758  -0.052
  254    HD2  ASP  34           HD2      ASP  34  -8.671   1.169  -1.915
  255    H    CYS  35           H        CYS  35  -4.236   2.835  -1.462
  256    HA   CYS  35           HA       CYS  35  -2.871   2.815   1.125
  257   1HB   CYS  35          1HB       CYS  35  -2.598   4.759  -1.177
  258   2HB   CYS  35          2HB       CYS  35  -1.749   4.866   0.351
  259    H    PHE  36           H        PHE  36  -3.555   4.297   2.738
  260    HA   PHE  36           HA       PHE  36  -5.460   6.332   2.084
  261   1HB   PHE  36          1HB       PHE  36  -7.176   5.314   3.675
  262   2HB   PHE  36          2HB       PHE  36  -6.934   4.345   2.236
  263    HD1  PHE  36           HD1      PHE  36  -5.777   2.198   2.359
  264    HD2  PHE  36           HD2      PHE  36  -6.433   4.528   5.845
  265    HE1  PHE  36           HE1      PHE  36  -5.248   0.205   3.790
  266    HE2  PHE  36           HE2      PHE  36  -5.905   2.535   7.277
  267    HZ   PHE  36           HZ       PHE  36  -5.319   0.398   6.232
  Start of MODEL   12
    1   1H    ARG   1          1H        ARG   1  -6.439   4.753  -1.425
    2   2H    ARG   1          2H        ARG   1  -5.624   5.895  -2.303
    3   3H    ARG   1          3H        ARG   1  -7.196   6.162  -1.854
    4    HA   ARG   1           HA       ARG   1  -8.061   4.728  -3.253
    5   1HB   ARG   1          1HB       ARG   1  -5.627   6.009  -4.580
    6   2HB   ARG   1          2HB       ARG   1  -6.850   5.165  -5.507
    7   1HG   ARG   1          1HG       ARG   1  -8.602   6.699  -4.518
    8   2HG   ARG   1          2HG       ARG   1  -7.329   7.578  -3.696
    9   1HD   ARG   1          1HD       ARG   1  -6.269   8.110  -5.904
   10   2HD   ARG   1          2HD       ARG   1  -7.540   7.227  -6.727
   11    HE   ARG   1           HE       ARG   1  -8.774   9.157  -5.020
   12   1HH1  ARG   1          1HH1      ARG   1  -6.807   9.027  -7.936
   13   2HH1  ARG   1          2HH1      ARG   1  -7.431  10.512  -8.576
   14   1HH2  ARG   1          1HH2      ARG   1  -9.598  11.114  -5.866
   15   2HH2  ARG   1          2HH2      ARG   1  -9.029  11.706  -7.390
   16    HA   PRO   2           HA       PRO   2  -5.799   0.975  -4.155
   17   1HB   PRO   2          1HB       PRO   2  -7.276   0.000  -6.238
   18   2HB   PRO   2          2HB       PRO   2  -7.689  -0.277  -4.557
   19   1HG   PRO   2          1HG       PRO   2  -8.952   1.561  -6.499
   20   2HG   PRO   2          2HG       PRO   2  -9.590   0.959  -4.982
   21   1HD   PRO   2          1HD       PRO   2  -8.509   3.569  -5.474
   22   2HD   PRO   2          2HD       PRO   2  -9.039   2.929  -3.932
   23    H    THR   3           H        THR   3  -4.102   0.247  -5.412
   24    HA   THR   3           HA       THR   3  -3.674   1.930  -7.791
   25    HB   THR   3           HB       THR   3  -1.345   2.143  -7.144
   26    HG1  THR   3           HG1      THR   3  -0.625   0.832  -5.305
   27   1HG2  THR   3          1HG2      THR   3  -2.831   2.253  -4.477
   28   2HG2  THR   3          2HG2      THR   3  -1.420   3.217  -4.977
   29   3HG2  THR   3          3HG2      THR   3  -3.013   3.519  -5.715
   30    H    ASP   4           H        ASP   4  -1.256   0.599  -8.568
   31    HA   ASP   4           HA       ASP   4  -2.419  -1.988  -9.248
   32   1HB   ASP   4          1HB       ASP   4  -1.335  -1.792 -11.454
   33   2HB   ASP   4          2HB       ASP   4  -2.404  -0.431 -11.180
   34    HD2  ASP   4           HD2      ASP   4  -1.510   1.422 -10.606
   35    H    ILE   5           H        ILE   5  -0.347  -0.800  -7.171
   36    HA   ILE   5           HA       ILE   5   2.109  -2.058  -7.973
   37    HB   ILE   5           HB       ILE   5   1.214  -0.727  -5.415
   38   1HG1  ILE   5          1HG1      ILE   5   3.127   0.265  -7.545
   39   2HG1  ILE   5          2HG1      ILE   5   1.428   0.689  -7.492
   40   1HG2  ILE   5          1HG2      ILE   5   2.920  -2.425  -4.950
   41   2HG2  ILE   5          2HG2      ILE   5   3.980  -1.702  -6.184
   42   3HG2  ILE   5          3HG2      ILE   5   3.552  -0.777  -4.725
   43   1HD1  ILE   5          1HD1      ILE   5   3.570   1.325  -5.427
   44   2HD1  ILE   5          2HD1      ILE   5   2.562   2.463  -6.353
   45   3HD1  ILE   5          3HD1      ILE   5   1.833   1.473  -5.065
   46    H    LYS   6           H        LYS   6   2.466  -4.207  -7.856
   47    HA   LYS   6           HA       LYS   6   0.454  -5.832  -6.668
   48   1HB   LYS   6          1HB       LYS   6   1.658  -6.320  -8.816
   49   2HB   LYS   6          2HB       LYS   6   3.105  -6.654  -7.887
   50   1HG   LYS   6          1HG       LYS   6   1.956  -8.465  -6.663
   51   2HG   LYS   6          2HG       LYS   6   0.439  -8.081  -7.449
   52   1HD   LYS   6          1HD       LYS   6   1.456  -8.633  -9.673
   53   2HD   LYS   6          2HD       LYS   6   2.969  -9.025  -8.881
   54   1HE   LYS   6          1HE       LYS   6   1.817 -10.821  -7.569
   55   2HE   LYS   6          2HE       LYS   6   0.304 -10.429  -8.359
   56   1HZ   LYS   6          1HZ       LYS   6   2.740 -11.344  -9.724
   57   2HZ   LYS   6          2HZ       LYS   6   1.410 -12.248  -9.439
   58   3HZ   LYS   6          3HZ       LYS   6   1.329 -10.978 -10.463
   59    H    CYS   7           H        CYS   7   0.630  -7.261  -4.884
   60    HA   CYS   7           HA       CYS   7   3.023  -7.133  -3.297
   61   1HB   CYS   7          1HB       CYS   7   1.725  -6.408  -1.253
   62   2HB   CYS   7          2HB       CYS   7   2.141  -5.164  -2.415
   63    H    SER   8           H        SER   8   3.022  -8.880  -1.692
   64    HA   SER   8           HA       SER   8   0.899 -10.793  -2.099
   65   1HB   SER   8          1HB       SER   8   2.378 -12.236  -0.587
   66   2HB   SER   8          2HB       SER   8   3.066 -11.791  -2.137
   67    HG   SER   8           HG       SER   8   3.627 -10.595   0.438
   68    H    GLU   9           H        GLU   9   2.025  -8.342   0.182
   69    HA   GLU   9           HA       GLU   9   0.136  -9.227   2.154
   70   1HB   GLU   9          1HB       GLU   9   3.141  -9.393   2.543
   71   2HB   GLU   9          2HB       GLU   9   2.066  -9.193   3.912
   72   1HG   GLU   9          1HG       GLU   9   0.807 -11.252   3.202
   73   2HG   GLU   9          2HG       GLU   9   1.925 -11.460   1.868
   74    HE2  GLU   9           HE2      GLU   9   2.948 -12.801   5.410
   75    H    SER  10           H        SER  10   0.387  -7.636   4.218
   76    HA   SER  10           HA       SER  10  -0.329  -5.302   2.761
   77   1HB   SER  10          1HB       SER  10  -0.657  -6.149   5.666
   78   2HB   SER  10          2HB       SER  10  -1.187  -4.582   5.088
   79    HG   SER  10           HG       SER  10  -2.067  -7.146   4.063
   80    H    TYR  11           H        TYR  11   2.161  -6.324   5.109
   81    HA   TYR  11           HA       TYR  11   2.905  -3.684   5.862
   82   1HB   TYR  11          1HB       TYR  11   4.739  -4.984   6.974
   83   2HB   TYR  11          2HB       TYR  11   3.215  -5.819   7.200
   84    HD1  TYR  11           HD1      TYR  11   2.943  -8.055   6.483
   85    HD2  TYR  11           HD2      TYR  11   6.291  -5.786   5.089
   86    HE1  TYR  11           HE1      TYR  11   3.952 -10.155   5.468
   87    HE2  TYR  11           HE2      TYR  11   7.290  -7.895   4.079
   88    HH   TYR  11           HH       TYR  11   5.498 -10.941   4.130
   89    H    GLN  12           H        GLN  12   3.365  -5.482   2.987
   90    HA   GLN  12           HA       GLN  12   5.867  -4.333   2.320
   91   1HB   GLN  12          1HB       GLN  12   3.682  -5.551   0.574
   92   2HB   GLN  12          2HB       GLN  12   5.277  -5.110  -0.001
   93   1HG   GLN  12          1HG       GLN  12   6.343  -6.727   1.492
   94   2HG   GLN  12          2HG       GLN  12   4.828  -7.050   2.313
   95   1HE2  GLN  12          1HE2      GLN  12   6.464  -8.986   1.113
   96   2HE2  GLN  12          2HE2      GLN  12   5.618  -9.729  -0.202
   97    H    CYS  13           H        CYS  13   2.456  -3.362   2.175
   98    HA   CYS  13           HA       CYS  13   2.971  -1.427   0.109
   99   1HB   CYS  13          1HB       CYS  13   0.442  -2.036   1.654
  100   2HB   CYS  13          2HB       CYS  13   0.563  -0.945   0.289
  101    H    PHE  14           H        PHE  14   2.686  -1.662   3.653
  102    HA   PHE  14           HA       PHE  14   1.401   0.752   4.090
  103   1HB   PHE  14          1HB       PHE  14   1.403  -0.585   6.006
  104   2HB   PHE  14          2HB       PHE  14   2.901  -1.371   5.548
  105    HD1  PHE  14           HD1      PHE  14   1.867   2.073   6.589
  106    HD2  PHE  14           HD2      PHE  14   4.599  -1.137   7.071
  107    HE1  PHE  14           HE1      PHE  14   3.092   3.379   8.348
  108    HE2  PHE  14           HE2      PHE  14   5.825   0.169   8.831
  109    HZ   PHE  14           HZ       PHE  14   5.055   2.412   9.448
  110    HA   PRO  15           HA       PRO  15   5.760   2.527   4.705
  111   1HB   PRO  15          1HB       PRO  15   7.913   1.165   3.719
  112   2HB   PRO  15          2HB       PRO  15   7.404   1.069   5.393
  113   1HG   PRO  15          1HG       PRO  15   7.066  -0.925   3.237
  114   2HG   PRO  15          2HG       PRO  15   6.959  -1.154   4.971
  115   1HD   PRO  15          1HD       PRO  15   4.772  -0.985   3.124
  116   2HD   PRO  15          2HD       PRO  15   4.663  -1.098   4.869
  117    H    VAL  16           H        VAL  16   5.131   0.788   1.769
  118    HA   VAL  16           HA       VAL  16   6.429   2.599   0.065
  119    HB   VAL  16           HB       VAL  16   4.604   0.328  -0.097
  120   1HG1  VAL  16          1HG1      VAL  16   4.366   2.541  -2.160
  121   2HG1  VAL  16          2HG1      VAL  16   3.819   0.867  -2.416
  122   3HG1  VAL  16          3HG1      VAL  16   3.072   1.864  -1.144
  123   1HG2  VAL  16          1HG2      VAL  16   5.990  -0.224  -2.034
  124   2HG2  VAL  16          2HG2      VAL  16   6.729   1.394  -1.988
  125   3HG2  VAL  16          3HG2      VAL  16   7.005   0.251  -0.652
  126    H    CYS  17           H        CYS  17   3.203   2.529   1.620
  127    HA   CYS  17           HA       CYS  17   2.188   4.626  -0.003
  128   1HB   CYS  17          1HB       CYS  17   1.205   3.349   2.553
  129   2HB   CYS  17          2HB       CYS  17   0.350   4.644   1.737
  130    H    LYS  18           H        LYS  18   3.639   4.269   3.286
  131    HA   LYS  18           HA       LYS  18   3.182   6.901   4.114
  132   1HB   LYS  18          1HB       LYS  18   3.702   5.042   5.632
  133   2HB   LYS  18          2HB       LYS  18   5.316   4.919   4.962
  134   1HG   LYS  18          1HG       LYS  18   5.914   7.135   5.767
  135   2HG   LYS  18          2HG       LYS  18   4.254   7.499   6.194
  136   1HD   LYS  18          1HD       LYS  18   5.444   6.920   8.236
  137   2HD   LYS  18          2HD       LYS  18   4.309   5.630   7.888
  138   1HE   LYS  18          1HE       LYS  18   6.047   4.181   7.048
  139   2HE   LYS  18          2HE       LYS  18   7.200   5.496   6.938
  140   1HZ   LYS  18          1HZ       LYS  18   7.241   5.646   9.296
  141   2HZ   LYS  18          2HZ       LYS  18   6.042   4.551   9.467
  142   3HZ   LYS  18          3HZ       LYS  18   7.498   4.084   8.892
  143    H    SER  19           H        SER  19   5.778   5.357   2.185
  144    HA   SER  19           HA       SER  19   7.465   7.610   2.390
  145   1HB   SER  19          1HB       SER  19   8.410   5.387   2.030
  146   2HB   SER  19          2HB       SER  19   7.487   5.177   0.556
  147    HG   SER  19           HG       SER  19   9.611   7.092   1.014
  148    H    ARG  20           H        ARG  20   5.510   6.163  -0.346
  149    HA   ARG  20           HA       ARG  20   6.556   8.250  -1.988
  150   1HB   ARG  20          1HB       ARG  20   6.348   5.783  -2.675
  151   2HB   ARG  20          2HB       ARG  20   4.613   6.018  -2.758
  152   1HG   ARG  20          1HG       ARG  20   6.209   8.063  -4.228
  153   2HG   ARG  20          2HG       ARG  20   6.350   6.437  -4.863
  154   1HD   ARG  20          1HD       ARG  20   3.872   6.263  -5.029
  155   2HD   ARG  20          2HD       ARG  20   3.696   7.858  -4.327
  156    HE   ARG  20           HE       ARG  20   5.435   8.035  -6.605
  157   1HH1  ARG  20          1HH1      ARG  20   2.048   7.528  -5.798
  158   2HH1  ARG  20          2HH1      ARG  20   1.464   8.161  -7.302
  159   1HH2  ARG  20          1HH2      ARG  20   4.665   8.878  -8.583
  160   2HH2  ARG  20          2HH2      ARG  20   2.962   8.941  -8.893
  161    H    PHE  21           H        PHE  21   3.356   7.064  -0.785
  162    HA   PHE  21           HA       PHE  21   2.004   9.097  -2.344
  163   1HB   PHE  21          1HB       PHE  21   1.230   6.742  -0.534
  164   2HB   PHE  21          2HB       PHE  21   0.008   7.829  -1.163
  165    HD1  PHE  21           HD1      PHE  21   2.517   5.298  -2.080
  166    HD2  PHE  21           HD2      PHE  21  -0.690   7.716  -3.451
  167    HE1  PHE  21           HE1      PHE  21   2.398   3.944  -4.190
  168    HE2  PHE  21           HE2      PHE  21  -0.808   6.363  -5.562
  169    HZ   PHE  21           HZ       PHE  21   0.738   4.493  -5.906
  170    H    GLY  22           H        GLY  22   3.171   8.533   0.913
  171   1HA   GLY  22          1HA       GLY  22   3.237   9.956   2.667
  172   2HA   GLY  22          2HA       GLY  22   2.407  11.167   1.711
  173    H    LYS  23           H        LYS  23   1.249   7.816   2.364
  174    HA   LYS  23           HA       LYS  23  -1.116   9.033   3.588
  175   1HB   LYS  23          1HB       LYS  23  -0.755   7.037   1.586
  176   2HB   LYS  23          2HB       LYS  23  -1.459   6.250   2.984
  177   1HG   LYS  23          1HG       LYS  23  -3.334   7.061   1.757
  178   2HG   LYS  23          2HG       LYS  23  -3.148   8.205   3.072
  179   1HD   LYS  23          1HD       LYS  23  -1.625   9.538   1.371
  180   2HD   LYS  23          2HD       LYS  23  -2.411   8.557   0.150
  181   1HE   LYS  23          1HE       LYS  23  -3.866  10.306   2.193
  182   2HE   LYS  23          2HE       LYS  23  -3.586  10.741   0.519
  183   1HZ   LYS  23          1HZ       LYS  23  -4.803   8.679  -0.065
  184   2HZ   LYS  23          2HZ       LYS  23  -5.207   8.506   1.509
  185   3HZ   LYS  23          3HZ       LYS  23  -5.720   9.811   0.673
  186    H    THR  24           H        THR  24  -2.181   7.513   5.318
  187    HA   THR  24           HA       THR  24  -0.169   7.489   7.372
  188    HB   THR  24           HB       THR  24  -2.317   6.945   8.745
  189    HG1  THR  24           HG1      THR  24  -4.228   7.054   7.443
  190   1HG2  THR  24          1HG2      THR  24  -1.499   9.323   8.398
  191   2HG2  THR  24          2HG2      THR  24  -2.454   9.385   6.898
  192   3HG2  THR  24          3HG2      THR  24  -3.273   9.201   8.467
  193    H    ASN  25           H        ASN  25  -2.072   5.090   5.528
  194    HA   ASN  25           HA       ASN  25  -0.296   3.074   6.483
  195   1HB   ASN  25          1HB       ASN  25  -2.187   3.233   8.228
  196   2HB   ASN  25          2HB       ASN  25  -3.299   2.739   6.968
  197   1HD2  ASN  25          1HD2      ASN  25  -3.721   0.962   8.427
  198   2HD2  ASN  25          2HD2      ASN  25  -2.724  -0.454   8.393
  199    H    GLY  26           H        GLY  26  -0.697   0.981   5.226
  200   1HA   GLY  26          1HA       GLY  26  -2.556   1.248   2.970
  201   2HA   GLY  26          2HA       GLY  26  -0.854   1.010   2.629
  202    H    ARG  27           H        ARG  27  -3.197  -0.785   2.083
  203    HA   ARG  27           HA       ARG  27  -2.113  -3.093   3.451
  204   1HB   ARG  27          1HB       ARG  27  -5.060  -2.312   3.292
  205   2HB   ARG  27          2HB       ARG  27  -4.559  -3.961   3.612
  206   1HG   ARG  27          1HG       ARG  27  -3.270  -3.194   5.608
  207   2HG   ARG  27          2HG       ARG  27  -3.738  -1.537   5.282
  208   1HD   ARG  27          1HD       ARG  27  -6.161  -2.199   5.528
  209   2HD   ARG  27          2HD       ARG  27  -5.656  -3.830   5.923
  210    HE   ARG  27           HE       ARG  27  -4.240  -2.124   7.675
  211   1HH1  ARG  27          1HH1      ARG  27  -7.561  -3.104   7.053
  212   2HH1  ARG  27          2HH1      ARG  27  -8.114  -2.703   8.645
  213   1HH2  ARG  27          1HH2      ARG  27  -4.970  -1.585   9.775
  214   2HH2  ARG  27          2HH2      ARG  27  -6.622  -1.866  10.214
  215    H    CYS  28           H        CYS  28  -2.742  -5.189   2.293
  216    HA   CYS  28           HA       CYS  28  -2.505  -4.606  -0.531
  217   1HB   CYS  28          1HB       CYS  28  -0.910  -6.108   0.738
  218   2HB   CYS  28          2HB       CYS  28  -2.211  -7.277   0.848
  219    H    VAL  29           H        VAL  29  -4.533  -4.307  -1.457
  220    HA   VAL  29           HA       VAL  29  -6.693  -6.055  -0.567
  221    HB   VAL  29           HB       VAL  29  -6.630  -3.541  -2.244
  222   1HG1  VAL  29          1HG1      VAL  29  -8.958  -5.289  -1.395
  223   2HG1  VAL  29          2HG1      VAL  29  -9.137  -3.615  -1.971
  224   3HG1  VAL  29          3HG1      VAL  29  -8.458  -4.859  -3.049
  225   1HG2  VAL  29          1HG2      VAL  29  -6.164  -3.142   0.120
  226   2HG2  VAL  29          2HG2      VAL  29  -7.777  -2.524  -0.308
  227   3HG2  VAL  29          3HG2      VAL  29  -7.619  -4.057   0.581
  228    H    ASN  30           H        ASN  30  -6.761  -7.990  -1.604
  229    HA   ASN  30           HA       ASN  30  -6.870  -9.447  -3.207
  230   1HB   ASN  30          1HB       ASN  30  -7.678  -7.033  -4.913
  231   2HB   ASN  30          2HB       ASN  30  -7.889  -8.700  -5.410
  232   1HD2  ASN  30          1HD2      ASN  30  -9.151 -10.113  -3.980
  233   2HD2  ASN  30          2HD2      ASN  30 -10.521  -9.469  -3.141
  234    H    GLY  31           H        GLY  31  -4.253  -8.222  -2.754
  235   1HA   GLY  31          1HA       GLY  31  -2.295  -9.015  -3.641
  236   2HA   GLY  31          2HA       GLY  31  -3.091  -9.330  -5.171
  237    H    PHE  32           H        PHE  32  -3.958  -6.212  -4.074
  238    HA   PHE  32           HA       PHE  32  -1.622  -4.966  -5.300
  239   1HB   PHE  32          1HB       PHE  32  -4.602  -4.625  -5.971
  240   2HB   PHE  32          2HB       PHE  32  -3.407  -3.440  -6.459
  241    HD1  PHE  32           HD1      PHE  32  -5.084  -6.408  -7.379
  242    HD2  PHE  32           HD2      PHE  32  -1.408  -4.345  -7.871
  243    HE1  PHE  32           HE1      PHE  32  -4.619  -7.732  -9.459
  244    HE2  PHE  32           HE2      PHE  32  -0.943  -5.670  -9.951
  245    HZ   PHE  32           HZ       PHE  32  -2.554  -7.347 -10.721
  246    H    CYS  33           H        CYS  33  -1.225  -2.785  -4.576
  247    HA   CYS  33           HA       CYS  33  -1.864  -2.685  -1.831
  248   1HB   CYS  33          1HB       CYS  33  -0.329  -0.795  -3.622
  249   2HB   CYS  33          2HB       CYS  33  -0.497  -0.572  -1.891
  250    H    ASP  34           H        ASP  34  -3.238  -1.202  -0.715
  251    HA   ASP  34           HA       ASP  34  -4.407   0.869  -2.392
  252   1HB   ASP  34          1HB       ASP  34  -6.096  -0.910  -1.856
  253   2HB   ASP  34          2HB       ASP  34  -5.798  -0.668  -0.146
  254    HD2  ASP  34           HD2      ASP  34  -7.583   2.397  -0.130
  255    H    CYS  35           H        CYS  35  -4.094   2.930  -1.480
  256    HA   CYS  35           HA       CYS  35  -2.838   2.924   1.153
  257   1HB   CYS  35          1HB       CYS  35  -2.763   5.022  -1.025
  258   2HB   CYS  35          2HB       CYS  35  -1.926   5.112   0.513
  259    H    PHE  36           H        PHE  36  -3.673   4.268   2.826
  260    HA   PHE  36           HA       PHE  36  -5.722   6.170   2.211
  261   1HB   PHE  36          1HB       PHE  36  -7.365   5.009   3.765
  262   2HB   PHE  36          2HB       PHE  36  -7.028   4.056   2.334
  263    HD1  PHE  36           HD1      PHE  36  -5.689   2.016   2.484
  264    HD2  PHE  36           HD2      PHE  36  -6.605   4.289   5.948
  265    HE1  PHE  36           HE1      PHE  36  -5.023   0.077   3.932
  266    HE2  PHE  36           HE2      PHE  36  -5.939   2.351   7.397
  267    HZ   PHE  36           HZ       PHE  36  -5.155   0.268   6.372
  Start of MODEL   13
    1   1H    ARG   1          1H        ARG   1  -6.286   5.010  -1.656
    2   2H    ARG   1          2H        ARG   1  -7.903   5.264  -1.402
    3   3H    ARG   1          3H        ARG   1  -7.236   3.783  -1.077
    4    HA   ARG   1           HA       ARG   1  -8.507   3.776  -3.022
    5   1HB   ARG   1          1HB       ARG   1  -6.534   5.956  -3.781
    6   2HB   ARG   1          2HB       ARG   1  -7.244   4.966  -5.042
    7   1HG   ARG   1          1HG       ARG   1  -9.540   5.560  -4.169
    8   2HG   ARG   1          2HG       ARG   1  -8.791   6.610  -2.982
    9   1HD   ARG   1          1HD       ARG   1  -7.749   7.951  -4.825
   10   2HD   ARG   1          2HD       ARG   1  -8.493   6.900  -6.013
   11    HE   ARG   1           HE       ARG   1 -10.546   7.866  -4.273
   12   1HH1  ARG   1          1HH1      ARG   1  -8.351   9.054  -6.754
   13   2HH1  ARG   1          2HH1      ARG   1  -9.403  10.337  -7.251
   14   1HH2  ARG   1          1HH2      ARG   1 -11.933   9.559  -4.927
   15   2HH2  ARG   1          2HH2      ARG   1 -11.453  10.627  -6.203
   16    HA   PRO   2           HA       PRO   2  -5.599   0.726  -4.218
   17   1HB   PRO   2          1HB       PRO   2  -6.707  -0.216  -6.531
   18   2HB   PRO   2          2HB       PRO   2  -7.251  -0.706  -4.940
   19   1HG   PRO   2          1HG       PRO   2  -8.543   1.141  -6.851
   20   2HG   PRO   2          2HG       PRO   2  -9.248   0.318  -5.474
   21   1HD   PRO   2          1HD       PRO   2  -8.483   3.079  -5.616
   22   2HD   PRO   2          2HD       PRO   2  -9.080   2.227  -4.205
   23    H    THR   3           H        THR   3  -3.911   0.052  -5.710
   24    HA   THR   3           HA       THR   3  -3.395   2.138  -7.708
   25    HB   THR   3           HB       THR   3  -1.118   2.386  -6.893
   26    HG1  THR   3           HG1      THR   3  -1.967   0.275  -5.037
   27   1HG2  THR   3          1HG2      THR   3  -2.876   3.547  -5.445
   28   2HG2  THR   3          2HG2      THR   3  -2.851   2.118  -4.384
   29   3HG2  THR   3          3HG2      THR   3  -1.388   3.113  -4.570
   30    H    ASP   4           H        ASP   4  -0.882   1.093  -8.542
   31    HA   ASP   4           HA       ASP   4  -1.999  -1.187  -9.940
   32   1HB   ASP   4          1HB       ASP   4  -0.311  -0.700 -11.668
   33   2HB   ASP   4          2HB       ASP   4  -1.238   0.742 -11.304
   34    HD2  ASP   4           HD2      ASP   4   1.595   2.211  -9.654
   35    H    ILE   5           H        ILE   5  -0.028  -0.493  -7.313
   36    HA   ILE   5           HA       ILE   5   2.244  -2.106  -8.015
   37    HB   ILE   5           HB       ILE   5   1.445  -0.671  -5.481
   38   1HG1  ILE   5          1HG1      ILE   5   3.573   0.053  -7.512
   39   2HG1  ILE   5          2HG1      ILE   5   1.948   0.709  -7.539
   40   1HG2  ILE   5          1HG2      ILE   5   3.720  -1.062  -4.701
   41   2HG2  ILE   5          2HG2      ILE   5   2.868  -2.602  -4.973
   42   3HG2  ILE   5          3HG2      ILE   5   4.070  -2.029  -6.154
   43   1HD1  ILE   5          1HD1      ILE   5   3.264   2.302  -6.327
   44   2HD1  ILE   5          2HD1      ILE   5   2.333   1.424  -5.089
   45   3HD1  ILE   5          3HD1      ILE   5   4.047   1.029  -5.359
   46    H    LYS   6           H        LYS   6   2.319  -4.276  -7.860
   47    HA   LYS   6           HA       LYS   6   0.163  -5.630  -6.532
   48   1HB   LYS   6          1HB       LYS   6   2.540  -6.537  -8.166
   49   2HB   LYS   6          2HB       LYS   6   1.466  -7.669  -7.371
   50   1HG   LYS   6          1HG       LYS   6  -0.488  -6.631  -8.569
   51   2HG   LYS   6          2HG       LYS   6   0.610  -5.540  -9.389
   52   1HD   LYS   6          1HD       LYS   6   0.371  -7.266 -10.970
   53   2HD   LYS   6          2HD       LYS   6   1.861  -7.716 -10.165
   54   1HE   LYS   6          1HE       LYS   6   0.564  -9.729 -10.254
   55   2HE   LYS   6          2HE       LYS   6   0.443  -9.180  -8.594
   56   1HZ   LYS   6          1HZ       LYS   6  -1.552  -8.440 -10.607
   57   2HZ   LYS   6          2HZ       LYS   6  -1.675  -9.812  -9.730
   58   3HZ   LYS   6          3HZ       LYS   6  -1.687  -8.361  -8.982
   59    H    CYS   7           H        CYS   7   0.459  -7.251  -4.836
   60    HA   CYS   7           HA       CYS   7   2.933  -7.196  -3.398
   61   1HB   CYS   7          1HB       CYS   7   1.773  -6.478  -1.254
   62   2HB   CYS   7          2HB       CYS   7   2.208  -5.230  -2.403
   63    H    SER   8           H        SER   8   2.943  -8.929  -1.747
   64    HA   SER   8           HA       SER   8   0.762 -10.793  -2.102
   65   1HB   SER   8          1HB       SER   8   2.213 -12.389  -0.900
   66   2HB   SER   8          2HB       SER   8   3.065 -11.666  -2.249
   67    HG   SER   8           HG       SER   8   3.718 -11.628   0.404
   68    H    GLU   9           H        GLU   9   1.967  -8.347   0.110
   69    HA   GLU   9           HA       GLU   9   0.231  -9.272   2.201
   70   1HB   GLU   9          1HB       GLU   9   3.139  -9.769   2.187
   71   2HB   GLU   9          2HB       GLU   9   2.614  -8.906   3.619
   72   1HG   GLU   9          1HG       GLU   9   2.251 -11.095   4.323
   73   2HG   GLU   9          2HG       GLU   9   0.673 -10.734   3.652
   74    HE2  GLU   9           HE2      GLU   9   0.056 -11.914   1.961
   75    H    SER  10           H        SER  10   0.454  -7.672   4.197
   76    HA   SER  10           HA       SER  10  -0.208  -5.282   2.805
   77   1HB   SER  10          1HB       SER  10  -0.485  -6.109   5.726
   78   2HB   SER  10          2HB       SER  10  -1.068  -4.580   5.098
   79    HG   SER  10           HG       SER  10  -1.890  -7.202   4.174
   80    H    TYR  11           H        TYR  11   2.309  -6.450   5.038
   81    HA   TYR  11           HA       TYR  11   3.172  -3.894   5.895
   82   1HB   TYR  11          1HB       TYR  11   4.926  -5.263   6.914
   83   2HB   TYR  11          2HB       TYR  11   3.495  -6.275   6.913
   84    HD1  TYR  11           HD1      TYR  11   6.693  -5.618   5.132
   85    HD2  TYR  11           HD2      TYR  11   3.443  -8.338   5.721
   86    HE1  TYR  11           HE1      TYR  11   7.959  -7.418   3.859
   87    HE2  TYR  11           HE2      TYR  11   4.720 -10.129   4.445
   88    HH   TYR  11           HH       TYR  11   7.958  -9.448   3.140
   89    H    GLN  12           H        GLN  12   3.483  -5.584   2.901
   90    HA   GLN  12           HA       GLN  12   5.951  -4.419   2.163
   91   1HB   GLN  12          1HB       GLN  12   3.696  -5.603   0.485
   92   2HB   GLN  12          2HB       GLN  12   5.259  -5.137  -0.155
   93   1HG   GLN  12          1HG       GLN  12   6.413  -6.805   1.149
   94   2HG   GLN  12          2HG       GLN  12   5.019  -7.083   2.173
   95   1HE2  GLN  12          1HE2      GLN  12   6.015  -9.263   1.227
   96   2HE2  GLN  12          2HE2      GLN  12   5.068  -9.953  -0.048
   97    H    CYS  13           H        CYS  13   2.526  -3.451   2.114
   98    HA   CYS  13           HA       CYS  13   3.005  -1.490   0.063
   99   1HB   CYS  13          1HB       CYS  13   0.495  -2.148   1.619
  100   2HB   CYS  13          2HB       CYS  13   0.593  -1.034   0.270
  101    H    PHE  14           H        PHE  14   2.745  -1.759   3.609
  102    HA   PHE  14           HA       PHE  14   1.400   0.621   4.056
  103   1HB   PHE  14          1HB       PHE  14   1.416  -0.750   5.950
  104   2HB   PHE  14          2HB       PHE  14   2.952  -1.473   5.512
  105    HD1  PHE  14           HD1      PHE  14   4.628  -1.177   7.050
  106    HD2  PHE  14           HD2      PHE  14   1.750   1.906   6.585
  107    HE1  PHE  14           HE1      PHE  14   5.769   0.159   8.843
  108    HE2  PHE  14           HE2      PHE  14   2.890   3.242   8.377
  109    HZ   PHE  14           HZ       PHE  14   4.886   2.353   9.485
  110    HA   PRO  15           HA       PRO  15   5.720   2.487   4.695
  111   1HB   PRO  15          1HB       PRO  15   7.902   1.176   3.700
  112   2HB   PRO  15          2HB       PRO  15   7.398   1.063   5.374
  113   1HG   PRO  15          1HG       PRO  15   7.099  -0.929   3.210
  114   2HG   PRO  15          2HG       PRO  15   7.000  -1.167   4.944
  115   1HD   PRO  15          1HD       PRO  15   4.806  -1.038   3.100
  116   2HD   PRO  15          2HD       PRO  15   4.703  -1.161   4.846
  117    H    VAL  16           H        VAL  16   5.277   0.693   1.733
  118    HA   VAL  16           HA       VAL  16   6.438   2.554   0.027
  119    HB   VAL  16           HB       VAL  16   4.620   0.270  -0.111
  120   1HG1  VAL  16          1HG1      VAL  16   3.082   1.794  -1.158
  121   2HG1  VAL  16          2HG1      VAL  16   4.373   2.485  -2.170
  122   3HG1  VAL  16          3HG1      VAL  16   3.836   0.809  -2.434
  123   1HG2  VAL  16          1HG2      VAL  16   7.021   0.192  -0.673
  124   2HG2  VAL  16          2HG2      VAL  16   6.001  -0.290  -2.049
  125   3HG2  VAL  16          3HG2      VAL  16   6.739   1.329  -2.012
  126    H    CYS  17           H        CYS  17   3.227   2.426   1.621
  127    HA   CYS  17           HA       CYS  17   2.157   4.482  -0.017
  128   1HB   CYS  17          1HB       CYS  17   1.201   3.190   2.540
  129   2HB   CYS  17          2HB       CYS  17   0.311   4.452   1.713
  130    H    LYS  18           H        LYS  18   3.583   4.188   3.291
  131    HA   LYS  18           HA       LYS  18   2.945   6.799   4.093
  132   1HB   LYS  18          1HB       LYS  18   3.476   4.883   5.599
  133   2HB   LYS  18          2HB       LYS  18   5.153   4.983   5.103
  134   1HG   LYS  18          1HG       LYS  18   5.328   7.283   5.968
  135   2HG   LYS  18          2HG       LYS  18   3.614   7.317   6.333
  136   1HD   LYS  18          1HD       LYS  18   3.892   5.510   8.000
  137   2HD   LYS  18          2HD       LYS  18   5.585   5.345   7.583
  138   1HE   LYS  18          1HE       LYS  18   5.492   6.695   9.587
  139   2HE   LYS  18          2HE       LYS  18   5.926   7.773   8.275
  140   1HZ   LYS  18          1HZ       LYS  18   3.156   7.400   9.169
  141   2HZ   LYS  18          2HZ       LYS  18   4.132   8.571   9.755
  142   3HZ   LYS  18          3HZ       LYS  18   3.727   8.560   8.173
  143    H    SER  19           H        SER  19   5.672   5.366   2.282
  144    HA   SER  19           HA       SER  19   7.255   7.701   2.580
  145   1HB   SER  19          1HB       SER  19   8.319   5.508   2.338
  146   2HB   SER  19          2HB       SER  19   7.526   5.242   0.799
  147    HG   SER  19           HG       SER  19   9.519   7.256   1.399
  148    H    ARG  20           H        ARG  20   5.537   6.095  -0.227
  149    HA   ARG  20           HA       ARG  20   6.613   8.170  -1.865
  150   1HB   ARG  20          1HB       ARG  20   6.549   5.683  -2.489
  151   2HB   ARG  20          2HB       ARG  20   4.814   5.834  -2.679
  152   1HG   ARG  20          1HG       ARG  20   6.387   7.914  -4.121
  153   2HG   ARG  20          2HG       ARG  20   6.665   6.278  -4.688
  154   1HD   ARG  20          1HD       ARG  20   4.222   5.946  -5.012
  155   2HD   ARG  20          2HD       ARG  20   3.899   7.544  -4.368
  156    HE   ARG  20           HE       ARG  20   5.768   7.782  -6.531
  157   1HH1  ARG  20          1HH1      ARG  20   2.378   7.048  -5.942
  158   2HH1  ARG  20          2HH1      ARG  20   1.856   7.599  -7.499
  159   1HH2  ARG  20          1HH2      ARG  20   5.079   8.519  -8.582
  160   2HH2  ARG  20          2HH2      ARG  20   3.402   8.447  -9.008
  161    H    PHE  21           H        PHE  21   3.396   6.921  -0.795
  162    HA   PHE  21           HA       PHE  21   2.060   8.848  -2.497
  163   1HB   PHE  21          1HB       PHE  21   1.263   6.540  -0.636
  164   2HB   PHE  21          2HB       PHE  21   0.047   7.557  -1.383
  165    HD1  PHE  21           HD1      PHE  21  -0.545   7.290  -3.678
  166    HD2  PHE  21           HD2      PHE  21   2.718   5.109  -2.063
  167    HE1  PHE  21           HE1      PHE  21  -0.496   5.844  -5.729
  168    HE2  PHE  21           HE2      PHE  21   2.767   3.664  -4.115
  169    HZ   PHE  21           HZ       PHE  21   1.160   4.048  -5.923
  170    H    GLY  22           H        GLY  22   3.055   8.415   0.845
  171   1HA   GLY  22          1HA       GLY  22   3.116   9.990   2.468
  172   2HA   GLY  22          2HA       GLY  22   2.297  11.118   1.406
  173    H    LYS  23           H        LYS  23   1.238   7.827   2.494
  174    HA   LYS  23           HA       LYS  23  -1.179   9.132   3.531
  175   1HB   LYS  23          1HB       LYS  23  -0.764   6.899   1.729
  176   2HB   LYS  23          2HB       LYS  23  -1.682   6.391   3.133
  177   1HG   LYS  23          1HG       LYS  23  -3.210   7.229   1.391
  178   2HG   LYS  23          2HG       LYS  23  -3.275   8.275   2.795
  179   1HD   LYS  23          1HD       LYS  23  -2.187  10.038   1.718
  180   2HD   LYS  23          2HD       LYS  23  -1.266   8.979   0.669
  181   1HE   LYS  23          1HE       LYS  23  -4.284   9.184   0.374
  182   2HE   LYS  23          2HE       LYS  23  -3.239  10.385  -0.359
  183   1HZ   LYS  23          1HZ       LYS  23  -2.114   8.635  -1.530
  184   2HZ   LYS  23          2HZ       LYS  23  -3.031   7.490  -0.814
  185   3HZ   LYS  23          3HZ       LYS  23  -3.714   8.557  -1.843
  186    H    THR  24           H        THR  24  -2.276   7.612   5.289
  187    HA   THR  24           HA       THR  24  -0.314   7.648   7.395
  188    HB   THR  24           HB       THR  24  -2.478   7.097   8.728
  189    HG1  THR  24           HG1      THR  24  -4.367   7.152   7.385
  190   1HG2  THR  24          1HG2      THR  24  -1.702   9.485   8.343
  191   2HG2  THR  24          2HG2      THR  24  -2.637   9.496   6.829
  192   3HG2  THR  24          3HG2      THR  24  -3.474   9.326   8.390
  193    H    ASN  25           H        ASN  25  -2.083   5.215   5.484
  194    HA   ASN  25           HA       ASN  25  -0.365   3.218   6.579
  195   1HB   ASN  25          1HB       ASN  25  -2.353   3.374   8.196
  196   2HB   ASN  25          2HB       ASN  25  -3.397   2.902   6.871
  197   1HD2  ASN  25          1HD2      ASN  25  -3.985   1.082   8.125
  198   2HD2  ASN  25          2HD2      ASN  25  -2.999  -0.341   8.167
  199    H    GLY  26           H        GLY  26  -0.728   1.082   5.345
  200   1HA   GLY  26          1HA       GLY  26  -2.422   1.379   2.951
  201   2HA   GLY  26          2HA       GLY  26  -0.739   0.919   2.784
  202    H    ARG  27           H        ARG  27  -2.861  -0.760   1.909
  203    HA   ARG  27           HA       ARG  27  -2.314  -3.034   3.548
  204   1HB   ARG  27          1HB       ARG  27  -4.437  -1.919   4.492
  205   2HB   ARG  27          2HB       ARG  27  -5.222  -2.291   2.970
  206   1HG   ARG  27          1HG       ARG  27  -4.835  -4.704   3.302
  207   2HG   ARG  27          2HG       ARG  27  -3.895  -4.390   4.748
  208   1HD   ARG  27          1HD       ARG  27  -6.855  -3.703   4.394
  209   2HD   ARG  27          2HD       ARG  27  -6.238  -5.078   5.289
  210    HE   ARG  27           HE       ARG  27  -6.342  -2.332   6.215
  211   1HH1  ARG  27          1HH1      ARG  27  -4.677  -5.406   6.588
  212   2HH1  ARG  27          2HH1      ARG  27  -3.919  -4.964   8.080
  213   1HH2  ARG  27          1HH2      ARG  27  -5.319  -1.732   8.174
  214   2HH2  ARG  27          2HH2      ARG  27  -4.328  -2.877   9.014
  215    H    CYS  28           H        CYS  28  -2.593  -5.035   2.361
  216    HA   CYS  28           HA       CYS  28  -2.540  -4.556  -0.477
  217   1HB   CYS  28          1HB       CYS  28  -0.880  -5.991   0.803
  218   2HB   CYS  28          2HB       CYS  28  -2.153  -7.185   0.958
  219    H    VAL  29           H        VAL  29  -4.643  -4.265  -1.262
  220    HA   VAL  29           HA       VAL  29  -6.675  -6.158  -0.356
  221    HB   VAL  29           HB       VAL  29  -6.834  -3.564  -1.902
  222   1HG1  VAL  29          1HG1      VAL  29  -9.308  -3.782  -1.499
  223   2HG1  VAL  29          2HG1      VAL  29  -8.637  -4.960  -2.652
  224   3HG1  VAL  29          3HG1      VAL  29  -9.018  -5.461  -0.987
  225   1HG2  VAL  29          1HG2      VAL  29  -7.574  -4.268   0.958
  226   2HG2  VAL  29          2HG2      VAL  29  -6.251  -3.203   0.425
  227   3HG2  VAL  29          3HG2      VAL  29  -7.943  -2.721   0.156
  228    H    ASN  30           H        ASN  30  -6.779  -8.020  -1.511
  229    HA   ASN  30           HA       ASN  30  -7.077  -9.345  -3.200
  230   1HB   ASN  30          1HB       ASN  30  -7.668  -6.826  -4.843
  231   2HB   ASN  30          2HB       ASN  30  -8.123  -8.458  -5.289
  232   1HD2  ASN  30          1HD2      ASN  30  -9.953  -6.411  -5.071
  233   2HD2  ASN  30          2HD2      ASN  30 -11.025  -6.684  -3.739
  234    H    GLY  31           H        GLY  31  -4.384  -8.184  -2.700
  235   1HA   GLY  31          1HA       GLY  31  -2.419  -8.920  -3.603
  236   2HA   GLY  31          2HA       GLY  31  -3.226  -9.273  -5.118
  237    H    PHE  32           H        PHE  32  -4.071  -6.138  -3.963
  238    HA   PHE  32           HA       PHE  32  -1.787  -4.911  -5.316
  239   1HB   PHE  32          1HB       PHE  32  -4.797  -4.615  -5.738
  240   2HB   PHE  32          2HB       PHE  32  -3.767  -3.232  -6.049
  241    HD1  PHE  32           HD1      PHE  32  -4.828  -6.498  -7.227
  242    HD2  PHE  32           HD2      PHE  32  -2.100  -3.312  -7.869
  243    HE1  PHE  32           HE1      PHE  32  -4.344  -7.377  -9.527
  244    HE2  PHE  32           HE2      PHE  32  -1.615  -4.191 -10.169
  245    HZ   PHE  32           HZ       PHE  32  -2.742  -6.213 -10.971
  246    H    CYS  33           H        CYS  33  -1.265  -2.757  -4.572
  247    HA   CYS  33           HA       CYS  33  -1.741  -2.600  -1.779
  248   1HB   CYS  33          1HB       CYS  33  -0.190  -0.848  -3.690
  249   2HB   CYS  33          2HB       CYS  33  -0.288  -0.544  -1.967
  250    H    ASP  34           H        ASP  34  -3.149  -1.204  -0.682
  251    HA   ASP  34           HA       ASP  34  -4.401   0.845  -2.333
  252   1HB   ASP  34          1HB       ASP  34  -5.987  -0.975  -1.636
  253   2HB   ASP  34          2HB       ASP  34  -5.601  -0.654   0.043
  254    HD2  ASP  34           HD2      ASP  34  -8.000  -0.618  -1.063
  255    H    CYS  35           H        CYS  35  -4.100   2.946  -1.508
  256    HA   CYS  35           HA       CYS  35  -2.711   3.041   1.067
  257   1HB   CYS  35          1HB       CYS  35  -2.500   4.925  -1.291
  258   2HB   CYS  35          2HB       CYS  35  -1.653   5.099   0.233
  259    H    PHE  36           H        PHE  36  -3.566   4.376   2.681
  260    HA   PHE  36           HA       PHE  36  -5.535   6.352   2.014
  261   1HB   PHE  36          1HB       PHE  36  -7.242   5.160   3.520
  262   2HB   PHE  36          2HB       PHE  36  -6.930   4.322   2.014
  263    HD1  PHE  36           HD1      PHE  36  -6.489   4.240   5.636
  264    HD2  PHE  36           HD2      PHE  36  -5.686   2.225   1.989
  265    HE1  PHE  36           HE1      PHE  36  -5.893   2.164   6.915
  266    HE2  PHE  36           HE2      PHE  36  -5.090   0.148   3.268
  267    HZ   PHE  36           HZ       PHE  36  -5.201   0.142   5.716
  Start of MODEL   14
    1   1H    ARG   1          1H        ARG   1  -6.532   3.841  -1.028
    2   2H    ARG   1          2H        ARG   1  -8.051   4.378  -0.643
    3   3H    ARG   1          3H        ARG   1  -7.695   2.763  -0.552
    4    HA   ARG   1           HA       ARG   1  -8.839   2.849  -2.397
    5   1HB   ARG   1          1HB       ARG   1  -7.731   5.599  -2.546
    6   2HB   ARG   1          2HB       ARG   1  -7.824   4.818  -4.113
    7   1HG   ARG   1          1HG       ARG   1  -9.928   5.986  -3.708
    8   2HG   ARG   1          2HG       ARG   1 -10.237   4.261  -3.673
    9   1HD   ARG   1          1HD       ARG   1 -11.382   5.394  -1.787
   10   2HD   ARG   1          2HD       ARG   1 -10.180   4.268  -1.191
   11    HE   ARG   1           HE       ARG   1  -9.148   6.991  -1.554
   12   1HH1  ARG   1          1HH1      ARG   1 -11.092   5.057   0.634
   13   2HH1  ARG   1          2HH1      ARG   1 -10.405   5.742   2.069
   14   1HH2  ARG   1          1HH2      ARG   1  -8.222   7.901   0.343
   15   2HH2  ARG   1          2HH2      ARG   1  -8.828   7.438   1.897
   16    HA   PRO   2           HA       PRO   2  -5.942   0.470  -4.201
   17   1HB   PRO   2          1HB       PRO   2  -6.958  -0.173  -6.656
   18   2HB   PRO   2          2HB       PRO   2  -7.582  -0.833  -5.158
   19   1HG   PRO   2          1HG       PRO   2  -8.754   1.251  -6.896
   20   2HG   PRO   2          2HG       PRO   2  -9.535   0.288  -5.657
   21   1HD   PRO   2          1HD       PRO   2  -8.721   3.031  -5.441
   22   2HD   PRO   2          2HD       PRO   2  -9.394   2.034  -4.167
   23    H    THR   3           H        THR   3  -4.116   0.010  -5.537
   24    HA   THR   3           HA       THR   3  -3.626   2.133  -7.506
   25    HB   THR   3           HB       THR   3  -1.381   2.445  -6.652
   26    HG1  THR   3           HG1      THR   3  -2.164   0.221  -4.900
   27   1HG2  THR   3          1HG2      THR   3  -1.686   3.092  -4.314
   28   2HG2  THR   3          2HG2      THR   3  -3.199   3.477  -5.169
   29   3HG2  THR   3          3HG2      THR   3  -3.097   2.018  -4.154
   30    H    ASP   4           H        ASP   4  -1.076   1.155  -8.316
   31    HA   ASP   4           HA       ASP   4  -2.101  -1.170  -9.720
   32   1HB   ASP   4          1HB       ASP   4  -0.445  -0.610 -11.457
   33   2HB   ASP   4          2HB       ASP   4  -1.441   0.786 -11.097
   34    HD2  ASP   4           HD2      ASP   4   1.333   2.381  -9.442
   35    H    ILE   5           H        ILE   5  -0.190  -0.397  -7.084
   36    HA   ILE   5           HA       ILE   5   2.222  -1.762  -7.803
   37    HB   ILE   5           HB       ILE   5   1.238  -0.552  -5.219
   38   1HG1  ILE   5          1HG1      ILE   5   3.355   0.502  -7.103
   39   2HG1  ILE   5          2HG1      ILE   5   1.666   0.943  -7.247
   40   1HG2  ILE   5          1HG2      ILE   5   2.837  -2.344  -4.760
   41   2HG2  ILE   5          2HG2      ILE   5   3.992  -1.617  -5.904
   42   3HG2  ILE   5          3HG2      ILE   5   3.540  -0.744  -4.420
   43   1HD1  ILE   5          1HD1      ILE   5   2.727   2.642  -5.896
   44   2HD1  ILE   5          2HD1      ILE   5   1.730   1.660  -4.796
   45   3HD1  ILE   5          3HD1      ILE   5   3.493   1.419  -4.855
   46    H    LYS   6           H        LYS   6   2.579  -3.910  -7.693
   47    HA   LYS   6           HA       LYS   6   0.497  -5.566  -6.640
   48   1HB   LYS   6          1HB       LYS   6   3.140  -6.136  -8.001
   49   2HB   LYS   6          2HB       LYS   6   2.074  -7.402  -7.424
   50   1HG   LYS   6          1HG       LYS   6   0.544  -5.433  -8.945
   51   2HG   LYS   6          2HG       LYS   6   1.907  -5.990  -9.895
   52   1HD   LYS   6          1HD       LYS   6   0.048  -7.487 -10.336
   53   2HD   LYS   6          2HD       LYS   6   1.230  -8.375  -9.396
   54   1HE   LYS   6          1HE       LYS   6  -0.059  -8.121  -7.356
   55   2HE   LYS   6          2HE       LYS   6  -1.115  -6.931  -8.089
   56   1HZ   LYS   6          1HZ       LYS   6  -2.134  -9.090  -8.031
   57   2HZ   LYS   6          2HZ       LYS   6  -1.906  -8.637  -9.584
   58   3HZ   LYS   6          3HZ       LYS   6  -0.919  -9.747  -8.904
   59    H    CYS   7           H        CYS   7   0.636  -7.035  -4.879
   60    HA   CYS   7           HA       CYS   7   3.035  -7.044  -3.311
   61   1HB   CYS   7          1HB       CYS   7   1.810  -6.370  -1.214
   62   2HB   CYS   7          2HB       CYS   7   2.227  -5.084  -2.330
   63    H    SER   8           H        SER   8   2.885  -8.779  -1.621
   64    HA   SER   8           HA       SER   8   0.686 -10.594  -2.168
   65   1HB   SER   8          1HB       SER   8   2.057 -12.308  -1.058
   66   2HB   SER   8          2HB       SER   8   2.976 -11.526  -2.329
   67    HG   SER   8           HG       SER   8   4.109 -10.293  -0.773
   68    H    GLU   9           H        GLU   9   1.853  -8.234   0.107
   69    HA   GLU   9           HA       GLU   9   0.085  -9.186   2.156
   70   1HB   GLU   9          1HB       GLU   9   2.906  -9.858   2.164
   71   2HB   GLU   9          2HB       GLU   9   2.572  -8.786   3.509
   72   1HG   GLU   9          1HG       GLU   9   0.727 -11.130   2.957
   73   2HG   GLU   9          2HG       GLU   9   2.240 -11.393   3.802
   74    HE2  GLU   9           HE2      GLU   9  -0.521  -9.080   5.612
   75    H    SER  10           H        SER  10   0.216  -7.604   4.149
   76    HA   SER  10           HA       SER  10  -0.348  -5.188   2.765
   77   1HB   SER  10          1HB       SER  10  -0.765  -6.086   5.645
   78   2HB   SER  10          2HB       SER  10  -1.247  -4.502   5.071
   79    HG   SER  10           HG       SER  10  -2.170  -7.044   4.027
   80    H    TYR  11           H        TYR  11   2.082  -6.425   5.048
   81    HA   TYR  11           HA       TYR  11   2.941  -3.874   5.961
   82   1HB   TYR  11          1HB       TYR  11   4.610  -5.277   7.079
   83   2HB   TYR  11          2HB       TYR  11   3.151  -6.247   7.021
   84    HD1  TYR  11           HD1      TYR  11   3.099  -8.328   5.865
   85    HD2  TYR  11           HD2      TYR  11   6.443  -5.704   5.377
   86    HE1  TYR  11           HE1      TYR  11   4.382 -10.172   4.674
   87    HE2  TYR  11           HE2      TYR  11   7.715  -7.557   4.188
   88    HH   TYR  11           HH       TYR  11   6.205 -10.736   3.674
   89    H    GLN  12           H        GLN  12   3.367  -5.595   2.997
   90    HA   GLN  12           HA       GLN  12   5.862  -4.435   2.351
   91   1HB   GLN  12          1HB       GLN  12   3.653  -5.547   0.563
   92   2HB   GLN  12          2HB       GLN  12   5.265  -5.130   0.015
   93   1HG   GLN  12          1HG       GLN  12   6.212  -6.777   1.690
   94   2HG   GLN  12          2HG       GLN  12   4.577  -7.241   2.113
   95   1HE2  GLN  12          1HE2      GLN  12   7.116  -7.394  -0.223
   96   2HE2  GLN  12          2HE2      GLN  12   6.423  -8.575  -1.284
   97    H    CYS  13           H        CYS  13   2.457  -3.416   2.257
   98    HA   CYS  13           HA       CYS  13   2.978  -1.486   0.190
   99   1HB   CYS  13          1HB       CYS  13   0.454  -2.121   1.732
  100   2HB   CYS  13          2HB       CYS  13   0.562  -0.988   0.400
  101    H    PHE  14           H        PHE  14   2.542  -1.690   3.746
  102    HA   PHE  14           HA       PHE  14   1.299   0.757   4.072
  103   1HB   PHE  14          1HB       PHE  14   1.163  -0.548   6.005
  104   2HB   PHE  14          2HB       PHE  14   2.669  -1.370   5.647
  105    HD1  PHE  14           HD1      PHE  14   1.642   2.108   6.575
  106    HD2  PHE  14           HD2      PHE  14   4.283  -1.141   7.260
  107    HE1  PHE  14           HE1      PHE  14   2.788   3.422   8.381
  108    HE2  PHE  14           HE2      PHE  14   5.430   0.172   9.067
  109    HZ   PHE  14           HZ       PHE  14   4.669   2.438   9.606
  110    HA   PRO  15           HA       PRO  15   5.654   2.455   4.899
  111   1HB   PRO  15          1HB       PRO  15   7.829   1.030   4.059
  112   2HB   PRO  15          2HB       PRO  15   7.227   0.980   5.704
  113   1HG   PRO  15          1HG       PRO  15   6.965  -1.051   3.571
  114   2HG   PRO  15          2HG       PRO  15   6.758  -1.243   5.301
  115   1HD   PRO  15          1HD       PRO  15   4.679  -1.067   3.333
  116   2HD   PRO  15          2HD       PRO  15   4.473  -1.142   5.072
  117    H    VAL  16           H        VAL  16   5.097   0.693   1.971
  118    HA   VAL  16           HA       VAL  16   6.719   2.358   0.367
  119    HB   VAL  16           HB       VAL  16   5.067   0.033   0.114
  120   1HG1  VAL  16          1HG1      VAL  16   4.197   0.422  -2.181
  121   2HG1  VAL  16          2HG1      VAL  16   3.400   1.438  -0.956
  122   3HG1  VAL  16          3HG1      VAL  16   4.633   2.141  -2.029
  123   1HG2  VAL  16          1HG2      VAL  16   6.502  -0.389  -1.833
  124   2HG2  VAL  16          2HG2      VAL  16   7.091   1.289  -1.771
  125   3HG2  VAL  16          3HG2      VAL  16   7.456   0.168  -0.437
  126    H    CYS  17           H        CYS  17   3.325   2.442   1.489
  127    HA   CYS  17           HA       CYS  17   2.564   4.430  -0.388
  128   1HB   CYS  17          1HB       CYS  17   1.245   3.391   2.125
  129   2HB   CYS  17          2HB       CYS  17   0.524   4.599   1.079
  130    H    LYS  18           H        LYS  18   3.672   4.291   3.038
  131    HA   LYS  18           HA       LYS  18   3.086   7.012   3.565
  132   1HB   LYS  18          1HB       LYS  18   3.234   5.114   5.239
  133   2HB   LYS  18          2HB       LYS  18   4.976   5.193   5.076
  134   1HG   LYS  18          1HG       LYS  18   5.024   7.507   5.857
  135   2HG   LYS  18          2HG       LYS  18   3.277   7.622   5.794
  136   1HD   LYS  18          1HD       LYS  18   3.165   5.756   7.532
  137   2HD   LYS  18          2HD       LYS  18   4.909   5.850   7.669
  138   1HE   LYS  18          1HE       LYS  18   4.166   7.261   9.417
  139   2HE   LYS  18          2HE       LYS  18   4.558   8.395   8.138
  140   1HZ   LYS  18          1HZ       LYS  18   1.861   7.334   8.626
  141   2HZ   LYS  18          2HZ       LYS  18   2.392   8.788   9.145
  142   3HZ   LYS  18          3HZ       LYS  18   2.263   8.489   7.545
  143    H    SER  19           H        SER  19   5.816   5.228   2.173
  144    HA   SER  19           HA       SER  19   7.604   7.407   2.427
  145   1HB   SER  19          1HB       SER  19   8.447   5.113   2.256
  146   2HB   SER  19          2HB       SER  19   7.660   4.891   0.706
  147    HG   SER  19           HG       SER  19   9.930   5.376   0.463
  148    H    ARG  20           H        ARG  20   5.554   6.004  -0.221
  149    HA   ARG  20           HA       ARG  20   6.748   7.744  -2.104
  150   1HB   ARG  20          1HB       ARG  20   6.009   5.464  -2.738
  151   2HB   ARG  20          2HB       ARG  20   4.354   5.848  -2.308
  152   1HG   ARG  20          1HG       ARG  20   4.600   6.029  -4.735
  153   2HG   ARG  20          2HG       ARG  20   4.318   7.629  -4.077
  154   1HD   ARG  20          1HD       ARG  20   7.191   6.788  -4.289
  155   2HD   ARG  20          2HD       ARG  20   6.357   7.057  -5.807
  156    HE   ARG  20           HE       ARG  20   7.166   9.091  -3.912
  157   1HH1  ARG  20          1HH1      ARG  20   4.740   8.310  -6.336
  158   2HH1  ARG  20          2HH1      ARG  20   4.291   9.961  -6.605
  159   1HH2  ARG  20          1HH2      ARG  20   6.536  11.267  -4.226
  160   2HH2  ARG  20          2HH2      ARG  20   5.332  11.656  -5.408
  161    H    PHE  21           H        PHE  21   3.360   7.294  -0.814
  162    HA   PHE  21           HA       PHE  21   2.607   9.707  -2.250
  163   1HB   PHE  21          1HB       PHE  21   1.031   7.579  -0.681
  164   2HB   PHE  21          2HB       PHE  21   0.299   8.816  -1.682
  165    HD1  PHE  21           HD1      PHE  21   1.602   8.825  -4.163
  166    HD2  PHE  21           HD2      PHE  21   0.908   5.493  -1.630
  167    HE1  PHE  21           HE1      PHE  21   1.722   7.292  -6.147
  168    HE2  PHE  21           HE2      PHE  21   1.029   3.959  -3.613
  169    HZ   PHE  21           HZ       PHE  21   1.433   4.876  -5.848
  170    H    GLY  22           H        GLY  22   3.175   8.479   1.011
  171   1HA   GLY  22          1HA       GLY  22   3.477   9.749   2.887
  172   2HA   GLY  22          2HA       GLY  22   2.832  11.154   2.063
  173    H    LYS  23           H        LYS  23   1.040   8.105   1.902
  174    HA   LYS  23           HA       LYS  23  -1.110   9.307   3.403
  175   1HB   LYS  23          1HB       LYS  23  -0.850   6.679   1.915
  176   2HB   LYS  23          2HB       LYS  23  -2.301   7.191   2.752
  177   1HG   LYS  23          1HG       LYS  23  -2.001   9.416   1.319
  178   2HG   LYS  23          2HG       LYS  23  -1.011   8.397   0.293
  179   1HD   LYS  23          1HD       LYS  23  -2.981   6.734   0.249
  180   2HD   LYS  23          2HD       LYS  23  -3.942   7.978   1.023
  181   1HE   LYS  23          1HE       LYS  23  -4.413   8.472  -1.200
  182   2HE   LYS  23          2HE       LYS  23  -3.010   9.499  -0.976
  183   1HZ   LYS  23          1HZ       LYS  23  -1.678   7.585  -1.793
  184   2HZ   LYS  23          2HZ       LYS  23  -3.070   6.834  -2.199
  185   3HZ   LYS  23          3HZ       LYS  23  -2.667   8.248  -2.910
  186    H    THR  24           H        THR  24  -2.277   7.752   5.056
  187    HA   THR  24           HA       THR  24  -0.310   7.709   7.137
  188    HB   THR  24           HB       THR  24  -2.540   7.040   8.412
  189    HG1  THR  24           HG1      THR  24  -3.640   6.420   6.422
  190   1HG2  THR  24          1HG2      THR  24  -1.623   9.391   8.388
  191   2HG2  THR  24          2HG2      THR  24  -2.423   9.657   6.821
  192   3HG2  THR  24          3HG2      THR  24  -3.399   9.364   8.280
  193    H    ASN  25           H        ASN  25  -2.066   5.296   5.194
  194    HA   ASN  25           HA       ASN  25  -0.323   3.296   6.213
  195   1HB   ASN  25          1HB       ASN  25  -2.324   3.481   7.881
  196   2HB   ASN  25          2HB       ASN  25  -3.322   2.849   6.587
  197   1HD2  ASN  25          1HD2      ASN  25  -0.464   2.235   8.564
  198   2HD2  ASN  25          2HD2      ASN  25  -0.506   0.504   8.505
  199    H    GLY  26           H        GLY  26  -0.870   1.114   5.033
  200   1HA   GLY  26          1HA       GLY  26  -2.698   1.299   2.795
  201   2HA   GLY  26          2HA       GLY  26  -1.002   1.275   2.352
  202    H    ARG  27           H        ARG  27  -3.194  -0.779   1.938
  203    HA   ARG  27           HA       ARG  27  -1.883  -2.982   3.258
  204   1HB   ARG  27          1HB       ARG  27  -4.897  -2.472   3.444
  205   2HB   ARG  27          2HB       ARG  27  -4.088  -3.912   4.028
  206   1HG   ARG  27          1HG       ARG  27  -2.684  -2.440   5.550
  207   2HG   ARG  27          2HG       ARG  27  -3.634  -1.062   5.030
  208   1HD   ARG  27          1HD       ARG  27  -5.725  -2.280   5.828
  209   2HD   ARG  27          2HD       ARG  27  -4.692  -3.541   6.470
  210    HE   ARG  27           HE       ARG  27  -3.736  -1.045   7.468
  211   1HH1  ARG  27          1HH1      ARG  27  -6.524  -3.168   7.788
  212   2HH1  ARG  27          2HH1      ARG  27  -6.909  -2.634   9.390
  213   1HH2  ARG  27          1HH2      ARG  27  -4.249  -0.332   9.577
  214   2HH2  ARG  27          2HH2      ARG  27  -5.602  -1.014  10.417
  215    H    CYS  28           H        CYS  28  -2.710  -5.160   2.317
  216    HA   CYS  28           HA       CYS  28  -2.626  -4.630  -0.525
  217   1HB   CYS  28          1HB       CYS  28  -0.978  -6.107   0.799
  218   2HB   CYS  28          2HB       CYS  28  -2.252  -7.311   0.794
  219    H    VAL  29           H        VAL  29  -4.664  -4.464  -1.438
  220    HA   VAL  29           HA       VAL  29  -6.683  -6.384  -0.528
  221    HB   VAL  29           HB       VAL  29  -6.907  -3.768  -2.030
  222   1HG1  VAL  29          1HG1      VAL  29  -8.655  -5.206  -2.824
  223   2HG1  VAL  29          2HG1      VAL  29  -9.037  -5.753  -1.173
  224   3HG1  VAL  29          3HG1      VAL  29  -9.379  -4.074  -1.658
  225   1HG2  VAL  29          1HG2      VAL  29  -6.353  -3.469   0.330
  226   2HG2  VAL  29          2HG2      VAL  29  -8.033  -2.970   0.018
  227   3HG2  VAL  29          3HG2      VAL  29  -7.699  -4.533   0.802
  228    H    ASN  30           H        ASN  30  -6.693  -8.227  -1.720
  229    HA   ASN  30           HA       ASN  30  -6.905  -9.532  -3.437
  230   1HB   ASN  30          1HB       ASN  30  -7.575  -7.014  -5.050
  231   2HB   ASN  30          2HB       ASN  30  -7.962  -8.657  -5.522
  232   1HD2  ASN  30          1HD2      ASN  30  -9.861  -6.664  -5.290
  233   2HD2  ASN  30          2HD2      ASN  30 -10.942  -7.001  -3.981
  234    H    GLY  31           H        GLY  31  -4.279  -8.182  -2.878
  235   1HA   GLY  31          1HA       GLY  31  -2.308  -9.005  -3.773
  236   2HA   GLY  31          2HA       GLY  31  -3.060  -9.158  -5.349
  237    H    PHE  32           H        PHE  32  -4.108  -6.187  -4.269
  238    HA   PHE  32           HA       PHE  32  -1.745  -4.834  -5.367
  239   1HB   PHE  32          1HB       PHE  32  -4.760  -4.530  -5.815
  240   2HB   PHE  32          2HB       PHE  32  -3.685  -3.189  -6.157
  241    HD1  PHE  32           HD1      PHE  32  -1.968  -3.412  -7.945
  242    HD2  PHE  32           HD2      PHE  32  -4.917  -6.394  -7.295
  243    HE1  PHE  32           HE1      PHE  32  -1.517  -4.356 -10.227
  244    HE2  PHE  32           HE2      PHE  32  -4.465  -7.337  -9.576
  245    HZ   PHE  32           HZ       PHE  32  -2.772  -6.307 -11.016
  246    H    CYS  33           H        CYS  33  -1.232  -2.765  -4.478
  247    HA   CYS  33           HA       CYS  33  -1.835  -2.662  -1.726
  248   1HB   CYS  33          1HB       CYS  33  -0.335  -0.767  -3.542
  249   2HB   CYS  33          2HB       CYS  33  -0.482  -0.541  -1.810
  250    H    ASP  34           H        ASP  34  -3.195  -1.199  -0.594
  251    HA   ASP  34           HA       ASP  34  -4.702   0.623  -2.294
  252   1HB   ASP  34          1HB       ASP  34  -6.028  -1.437  -1.610
  253   2HB   ASP  34          2HB       ASP  34  -5.811  -0.971   0.066
  254    HD2  ASP  34           HD2      ASP  34  -6.724   0.876   0.706
  255    H    CYS  35           H        CYS  35  -4.287   2.727  -1.521
  256    HA   CYS  35           HA       CYS  35  -3.008   2.783   1.108
  257   1HB   CYS  35          1HB       CYS  35  -2.582   4.628  -1.251
  258   2HB   CYS  35          2HB       CYS  35  -1.733   4.693   0.281
  259    H    PHE  36           H        PHE  36  -3.701   4.333   2.635
  260    HA   PHE  36           HA       PHE  36  -5.576   6.358   1.835
  261   1HB   PHE  36          1HB       PHE  36  -7.312   5.420   3.451
  262   2HB   PHE  36          2HB       PHE  36  -7.038   4.368   2.077
  263    HD1  PHE  36           HD1      PHE  36  -5.812   2.259   2.349
  264    HD2  PHE  36           HD2      PHE  36  -6.655   4.756   5.675
  265    HE1  PHE  36           HE1      PHE  36  -5.295   0.359   3.907
  266    HE2  PHE  36           HE2      PHE  36  -6.137   2.856   7.232
  267    HZ   PHE  36           HZ       PHE  36  -5.463   0.681   6.329
  Start of MODEL   15
    1   1H    ARG   1          1H        ARG   1  -6.435   4.723  -1.517
    2   2H    ARG   1          2H        ARG   1  -8.041   5.060  -1.293
    3   3H    ARG   1          3H        ARG   1  -7.466   3.537  -0.993
    4    HA   ARG   1           HA       ARG   1  -8.645   3.544  -2.947
    5   1HB   ARG   1          1HB       ARG   1  -6.847   5.897  -3.549
    6   2HB   ARG   1          2HB       ARG   1  -7.358   4.899  -4.897
    7   1HG   ARG   1          1HG       ARG   1  -9.754   5.213  -4.206
    8   2HG   ARG   1          2HG       ARG   1  -9.229   6.237  -2.885
    9   1HD   ARG   1          1HD       ARG   1  -8.201   7.830  -4.513
   10   2HD   ARG   1          2HD       ARG   1  -8.691   6.798  -5.843
   11    HE   ARG   1           HE       ARG   1 -10.930   7.509  -5.573
   12   1HH1  ARG   1          1HH1      ARG   1  -9.064   8.462  -2.751
   13   2HH1  ARG   1          2HH1      ARG   1 -10.189   9.683  -2.257
   14   1HH2  ARG   1          1HH2      ARG   1 -12.438   9.097  -4.904
   15   2HH2  ARG   1          2HH2      ARG   1 -12.160   9.989  -3.445
   16    HA   PRO   2           HA       PRO   2  -5.673   0.641  -4.221
   17   1HB   PRO   2          1HB       PRO   2  -6.700  -0.240  -6.596
   18   2HB   PRO   2          2HB       PRO   2  -7.292  -0.779  -5.037
   19   1HG   PRO   2          1HG       PRO   2  -8.532   1.116  -6.937
   20   2HG   PRO   2          2HG       PRO   2  -9.276   0.249  -5.608
   21   1HD   PRO   2          1HD       PRO   2  -8.525   3.018  -5.646
   22   2HD   PRO   2          2HD       PRO   2  -9.161   2.123  -4.280
   23    H    THR   3           H        THR   3  -3.819   0.149  -5.475
   24    HA   THR   3           HA       THR   3  -3.415   2.092  -7.649
   25    HB   THR   3           HB       THR   3  -1.099   2.347  -6.921
   26    HG1  THR   3           HG1      THR   3  -0.378   0.952  -5.168
   27   1HG2  THR   3          1HG2      THR   3  -1.309   3.289  -4.699
   28   2HG2  THR   3          2HG2      THR   3  -2.875   3.576  -5.494
   29   3HG2  THR   3          3HG2      THR   3  -2.702   2.248  -4.322
   30    H    ASP   4           H        ASP   4  -0.917   0.996  -8.494
   31    HA   ASP   4           HA       ASP   4  -2.036  -1.422  -9.663
   32   1HB   ASP   4          1HB       ASP   4  -0.553  -0.974 -11.581
   33   2HB   ASP   4          2HB       ASP   4  -1.555   0.424 -11.246
   34    HD2  ASP   4           HD2      ASP   4   0.519   0.594 -12.674
   35    H    ILE   5           H        ILE   5  -0.119  -0.601  -7.162
   36    HA   ILE   5           HA       ILE   5   2.274  -2.052  -7.843
   37    HB   ILE   5           HB       ILE   5   1.348  -0.751  -5.279
   38   1HG1  ILE   5          1HG1      ILE   5   3.341   0.224  -7.346
   39   2HG1  ILE   5          2HG1      ILE   5   1.685   0.784  -7.221
   40   1HG2  ILE   5          1HG2      ILE   5   3.629  -0.985  -4.496
   41   2HG2  ILE   5          2HG2      ILE   5   2.950  -2.584  -4.884
   42   3HG2  ILE   5          3HG2      ILE   5   4.095  -1.807  -6.005
   43   1HD1  ILE   5          1HD1      ILE   5   2.945   2.384  -5.990
   44   2HD1  ILE   5          2HD1      ILE   5   2.231   1.336  -4.740
   45   3HD1  ILE   5          3HD1      ILE   5   3.935   1.127  -5.209
   46    H    LYS   6           H        LYS   6   2.267  -4.231  -7.905
   47    HA   LYS   6           HA       LYS   6   0.239  -5.728  -6.611
   48   1HB   LYS   6          1HB       LYS   6   1.248  -7.617  -7.612
   49   2HB   LYS   6          2HB       LYS   6   1.407  -6.311  -8.768
   50   1HG   LYS   6          1HG       LYS   6   3.751  -5.885  -7.734
   51   2HG   LYS   6          2HG       LYS   6   3.560  -7.427  -6.925
   52   1HD   LYS   6          1HD       LYS   6   3.305  -7.070  -9.946
   53   2HD   LYS   6          2HD       LYS   6   4.795  -7.534  -9.152
   54   1HE   LYS   6          1HE       LYS   6   3.543  -9.512  -8.128
   55   2HE   LYS   6          2HE       LYS   6   2.162  -9.082  -9.118
   56   1HZ   LYS   6          1HZ       LYS   6   3.514 -10.717 -10.199
   57   2HZ   LYS   6          2HZ       LYS   6   3.569  -9.332 -11.062
   58   3HZ   LYS   6          3HZ       LYS   6   4.838  -9.763 -10.127
   59    H    CYS   7           H        CYS   7   0.550  -7.356  -4.917
   60    HA   CYS   7           HA       CYS   7   2.910  -7.190  -3.330
   61   1HB   CYS   7          1HB       CYS   7   1.702  -6.434  -1.267
   62   2HB   CYS   7          2HB       CYS   7   2.039  -5.194  -2.459
   63    H    SER   8           H        SER   8   2.886  -8.917  -1.685
   64    HA   SER   8           HA       SER   8   0.729 -10.800  -2.078
   65   1HB   SER   8          1HB       SER   8   2.162 -12.332  -0.710
   66   2HB   SER   8          2HB       SER   8   2.977 -11.732  -2.141
   67    HG   SER   8           HG       SER   8   3.406 -11.051   0.609
   68    H    GLU   9           H        GLU   9   1.905  -8.348   0.159
   69    HA   GLU   9           HA       GLU   9  -0.001  -9.165   2.146
   70   1HB   GLU   9          1HB       GLU   9   2.992  -9.428   2.495
   71   2HB   GLU   9          2HB       GLU   9   2.000  -9.027   3.883
   72   1HG   GLU   9          1HG       GLU   9   1.540 -11.441   2.066
   73   2HG   GLU   9          2HG       GLU   9   2.367 -11.504   3.609
   74    HE2  GLU   9           HE2      GLU   9  -0.514 -11.456   2.077
   75    H    SER  10           H        SER  10   0.168  -7.529   4.129
   76    HA   SER  10           HA       SER  10  -0.325  -5.146   2.654
   77   1HB   SER  10          1HB       SER  10  -0.879  -6.051   5.498
   78   2HB   SER  10          2HB       SER  10  -1.170  -4.392   5.015
   79    HG   SER  10           HG       SER  10  -3.064  -5.799   4.802
   80    H    TYR  11           H        TYR  11   2.027  -6.367   5.028
   81    HA   TYR  11           HA       TYR  11   2.942  -3.836   5.903
   82   1HB   TYR  11          1HB       TYR  11   4.607  -5.256   6.999
   83   2HB   TYR  11          2HB       TYR  11   3.143  -6.217   6.948
   84    HD1  TYR  11           HD1      TYR  11   3.064  -8.289   5.775
   85    HD2  TYR  11           HD2      TYR  11   6.427  -5.690   5.286
   86    HE1  TYR  11           HE1      TYR  11   4.325 -10.135   4.563
   87    HE2  TYR  11           HE2      TYR  11   7.676  -7.545   4.077
   88    HH   TYR  11           HH       TYR  11   7.643  -9.592   3.406
   89    H    GLN  12           H        GLN  12   3.335  -5.574   2.939
   90    HA   GLN  12           HA       GLN  12   5.868  -4.485   2.305
   91   1HB   GLN  12          1HB       GLN  12   3.672  -5.644   0.533
   92   2HB   GLN  12          2HB       GLN  12   5.280  -5.235  -0.028
   93   1HG   GLN  12          1HG       GLN  12   6.306  -6.891   1.427
   94   2HG   GLN  12          2HG       GLN  12   4.807  -7.152   2.296
   95   1HE2  GLN  12          1HE2      GLN  12   6.095  -9.276   1.299
   96   2HE2  GLN  12          2HE2      GLN  12   5.237  -9.977  -0.032
   97    H    CYS  13           H        CYS  13   2.491  -3.412   2.138
   98    HA   CYS  13           HA       CYS  13   3.071  -1.497   0.070
   99   1HB   CYS  13          1HB       CYS  13   0.516  -2.007   1.608
  100   2HB   CYS  13          2HB       CYS  13   0.684  -0.951   0.219
  101    H    PHE  14           H        PHE  14   2.861  -1.724   3.604
  102    HA   PHE  14           HA       PHE  14   1.561   0.661   4.099
  103   1HB   PHE  14          1HB       PHE  14   1.675  -0.668   6.015
  104   2HB   PHE  14          2HB       PHE  14   3.164  -1.428   5.489
  105    HD1  PHE  14           HD1      PHE  14   4.921  -1.170   6.941
  106    HD2  PHE  14           HD2      PHE  14   2.125   2.001   6.571
  107    HE1  PHE  14           HE1      PHE  14   6.201   0.158   8.644
  108    HE2  PHE  14           HE2      PHE  14   3.405   3.329   8.273
  109    HZ   PHE  14           HZ       PHE  14   5.428   2.391   9.289
  110    HA   PRO  15           HA       PRO  15   5.899   2.529   4.569
  111   1HB   PRO  15          1HB       PRO  15   8.049   1.223   3.503
  112   2HB   PRO  15          2HB       PRO  15   7.594   1.101   5.191
  113   1HG   PRO  15          1HG       PRO  15   7.233  -0.880   3.027
  114   2HG   PRO  15          2HG       PRO  15   7.183  -1.127   4.761
  115   1HD   PRO  15          1HD       PRO  15   4.937  -0.988   2.982
  116   2HD   PRO  15          2HD       PRO  15   4.885  -1.119   4.729
  117    H    VAL  16           H        VAL  16   5.442   0.730   1.601
  118    HA   VAL  16           HA       VAL  16   6.498   2.604  -0.135
  119    HB   VAL  16           HB       VAL  16   4.612   0.354  -0.211
  120   1HG1  VAL  16          1HG1      VAL  16   3.853   0.911  -2.547
  121   2HG1  VAL  16          2HG1      VAL  16   3.122   1.907  -1.265
  122   3HG1  VAL  16          3HG1      VAL  16   4.431   2.572  -2.272
  123   1HG2  VAL  16          1HG2      VAL  16   5.959  -0.280  -2.148
  124   2HG2  VAL  16          2HG2      VAL  16   6.757   1.312  -2.138
  125   3HG2  VAL  16          3HG2      VAL  16   7.008   0.182  -0.786
  126    H    CYS  17           H        CYS  17   3.305   2.447   1.517
  127    HA   CYS  17           HA       CYS  17   2.229   4.534  -0.078
  128   1HB   CYS  17          1HB       CYS  17   1.270   3.165   2.437
  129   2HB   CYS  17          2HB       CYS  17   0.377   4.451   1.650
  130    H    LYS  18           H        LYS  18   3.605   4.173   3.249
  131    HA   LYS  18           HA       LYS  18   2.931   6.760   4.093
  132   1HB   LYS  18          1HB       LYS  18   3.414   4.860   5.598
  133   2HB   LYS  18          2HB       LYS  18   5.094   4.887   5.101
  134   1HG   LYS  18          1HG       LYS  18   4.024   7.523   5.995
  135   2HG   LYS  18          2HG       LYS  18   4.075   6.296   7.245
  136   1HD   LYS  18          1HD       LYS  18   6.462   5.936   6.912
  137   2HD   LYS  18          2HD       LYS  18   6.468   6.913   5.458
  138   1HE   LYS  18          1HE       LYS  18   7.368   8.265   7.275
  139   2HE   LYS  18          2HE       LYS  18   5.801   8.920   6.841
  140   1HZ   LYS  18          1HZ       LYS  18   6.168   6.987   9.018
  141   2HZ   LYS  18          2HZ       LYS  18   6.180   8.604   9.246
  142   3HZ   LYS  18          3HZ       LYS  18   4.832   7.868   8.691
  143    H    SER  19           H        SER  19   5.665   5.404   2.253
  144    HA   SER  19           HA       SER  19   7.258   7.716   2.655
  145   1HB   SER  19          1HB       SER  19   8.311   5.531   2.310
  146   2HB   SER  19          2HB       SER  19   7.515   5.342   0.760
  147    HG   SER  19           HG       SER  19   9.720   6.057   0.514
  148    H    ARG  20           H        ARG  20   5.581   6.240  -0.256
  149    HA   ARG  20           HA       ARG  20   6.711   8.393  -1.751
  150   1HB   ARG  20          1HB       ARG  20   6.660   5.916  -2.471
  151   2HB   ARG  20          2HB       ARG  20   4.945   6.117  -2.771
  152   1HG   ARG  20          1HG       ARG  20   6.624   8.237  -4.002
  153   2HG   ARG  20          2HG       ARG  20   6.965   6.629  -4.611
  154   1HD   ARG  20          1HD       ARG  20   4.089   7.577  -4.371
  155   2HD   ARG  20          2HD       ARG  20   5.059   8.066  -5.746
  156    HE   ARG  20           HE       ARG  20   5.208   5.193  -5.266
  157   1HH1  ARG  20          1HH1      ARG  20   2.979   7.613  -6.483
  158   2HH1  ARG  20          2HH1      ARG  20   2.407   6.626  -7.786
  159   1HH2  ARG  20          1HH2      ARG  20   4.506   3.899  -7.035
  160   2HH2  ARG  20          2HH2      ARG  20   3.211   4.462  -8.039
  161    H    PHE  21           H        PHE  21   3.487   7.146  -0.762
  162    HA   PHE  21           HA       PHE  21   2.168   9.183  -2.353
  163   1HB   PHE  21          1HB       PHE  21   1.322   6.835  -0.560
  164   2HB   PHE  21          2HB       PHE  21   0.140   7.909  -1.281
  165    HD1  PHE  21           HD1      PHE  21  -0.492   7.684  -3.561
  166    HD2  PHE  21           HD2      PHE  21   2.762   5.424  -2.041
  167    HE1  PHE  21           HE1      PHE  21  -0.489   6.287  -5.646
  168    HE2  PHE  21           HE2      PHE  21   2.766   4.027  -4.127
  169    HZ   PHE  21           HZ       PHE  21   1.141   4.475  -5.904
  170    H    GLY  22           H        GLY  22   3.215   8.543   0.945
  171   1HA   GLY  22          1HA       GLY  22   3.397  10.069   2.617
  172   2HA   GLY  22          2HA       GLY  22   2.517  11.241   1.655
  173    H    LYS  23           H        LYS  23   1.215   7.969   2.177
  174    HA   LYS  23           HA       LYS  23  -1.095   9.182   3.416
  175   1HB   LYS  23          1HB       LYS  23  -0.516   6.377   2.425
  176   2HB   LYS  23          2HB       LYS  23  -2.029   6.858   3.168
  177   1HG   LYS  23          1HG       LYS  23  -1.303   8.788   1.110
  178   2HG   LYS  23          2HG       LYS  23  -1.255   7.172   0.436
  179   1HD   LYS  23          1HD       LYS  23  -3.570   6.773   1.462
  180   2HD   LYS  23          2HD       LYS  23  -3.606   8.474   1.883
  181   1HE   LYS  23          1HE       LYS  23  -3.504   9.151  -0.446
  182   2HE   LYS  23          2HE       LYS  23  -3.106   7.528  -0.972
  183   1HZ   LYS  23          1HZ       LYS  23  -5.639   8.293   0.308
  184   2HZ   LYS  23          2HZ       LYS  23  -5.429   8.056  -1.295
  185   3HZ   LYS  23          3HZ       LYS  23  -5.265   6.806  -0.256
  186    H    THR  24           H        THR  24  -2.120   7.710   5.274
  187    HA   THR  24           HA       THR  24  -0.186   7.739   7.403
  188    HB   THR  24           HB       THR  24  -2.337   6.976   8.667
  189    HG1  THR  24           HG1      THR  24  -4.199   7.006   7.299
  190   1HG2  THR  24          1HG2      THR  24  -1.680   9.420   8.464
  191   2HG2  THR  24          2HG2      THR  24  -2.582   9.489   6.931
  192   3HG2  THR  24          3HG2      THR  24  -3.442   9.172   8.456
  193    H    ASN  25           H        ASN  25  -1.980   5.267   5.505
  194    HA   ASN  25           HA       ASN  25  -0.044   3.341   6.249
  195   1HB   ASN  25          1HB       ASN  25  -1.698   3.411   8.236
  196   2HB   ASN  25          2HB       ASN  25  -2.927   2.828   7.134
  197   1HD2  ASN  25          1HD2      ASN  25  -2.985   1.074   8.721
  198   2HD2  ASN  25          2HD2      ASN  25  -1.945  -0.294   8.502
  199    H    GLY  26           H        GLY  26  -0.566   1.194   5.086
  200   1HA   GLY  26          1HA       GLY  26  -2.671   1.456   3.043
  201   2HA   GLY  26          2HA       GLY  26  -1.025   1.096   2.562
  202    H    ARG  27           H        ARG  27  -2.932  -0.746   1.875
  203    HA   ARG  27           HA       ARG  27  -2.085  -2.982   3.418
  204   1HB   ARG  27          1HB       ARG  27  -4.430  -3.802   3.856
  205   2HB   ARG  27          2HB       ARG  27  -4.044  -2.343   4.748
  206   1HG   ARG  27          1HG       ARG  27  -5.177  -0.974   2.971
  207   2HG   ARG  27          2HG       ARG  27  -5.588  -2.445   2.113
  208   1HD   ARG  27          1HD       ARG  27  -6.453  -1.860   4.986
  209   2HD   ARG  27          2HD       ARG  27  -7.453  -1.541   3.583
  210    HE   ARG  27           HE       ARG  27  -7.413  -3.988   3.097
  211   1HH1  ARG  27          1HH1      ARG  27  -5.633  -3.393   6.013
  212   2HH1  ARG  27          2HH1      ARG  27  -6.463  -4.580   6.962
  213   1HH2  ARG  27          1HH2      ARG  27  -8.534  -5.650   4.316
  214   2HH2  ARG  27          2HH2      ARG  27  -7.954  -6.029   5.903
  215    H    CYS  28           H        CYS  28  -2.824  -5.088   2.338
  216    HA   CYS  28           HA       CYS  28  -2.663  -4.582  -0.507
  217   1HB   CYS  28          1HB       CYS  28  -1.118  -6.137   0.854
  218   2HB   CYS  28          2HB       CYS  28  -2.455  -7.272   0.829
  219    H    VAL  29           H        VAL  29  -4.646  -4.371  -1.510
  220    HA   VAL  29           HA       VAL  29  -6.794  -6.147  -0.609
  221    HB   VAL  29           HB       VAL  29  -6.813  -3.633  -2.290
  222   1HG1  VAL  29          1HG1      VAL  29  -9.077  -5.447  -1.406
  223   2HG1  VAL  29          2HG1      VAL  29  -9.310  -3.796  -2.029
  224   3HG1  VAL  29          3HG1      VAL  29  -8.589  -5.047  -3.069
  225   1HG2  VAL  29          1HG2      VAL  29  -7.763  -4.162   0.546
  226   2HG2  VAL  29          2HG2      VAL  29  -6.358  -3.181   0.063
  227   3HG2  VAL  29          3HG2      VAL  29  -8.003  -2.648  -0.358
  228    H    ASN  30           H        ASN  30  -6.775  -8.074  -1.670
  229    HA   ASN  30           HA       ASN  30  -6.986  -9.476  -3.309
  230   1HB   ASN  30          1HB       ASN  30  -7.562  -7.042  -5.080
  231   2HB   ASN  30          2HB       ASN  30  -7.981  -8.699  -5.464
  232   1HD2  ASN  30          1HD2      ASN  30  -9.840  -6.665  -5.392
  233   2HD2  ASN  30          2HD2      ASN  30 -10.952  -6.896  -4.084
  234    H    GLY  31           H        GLY  31  -4.329  -8.262  -2.772
  235   1HA   GLY  31          1HA       GLY  31  -2.339  -9.046  -3.586
  236   2HA   GLY  31          2HA       GLY  31  -3.090  -9.415  -5.126
  237    H    PHE  32           H        PHE  32  -3.973  -6.265  -4.062
  238    HA   PHE  32           HA       PHE  32  -1.618  -5.042  -5.270
  239   1HB   PHE  32          1HB       PHE  32  -4.573  -4.813  -6.032
  240   2HB   PHE  32          2HB       PHE  32  -3.493  -3.470  -6.351
  241    HD1  PHE  32           HD1      PHE  32  -4.623  -6.696  -7.456
  242    HD2  PHE  32           HD2      PHE  32  -1.515  -3.839  -7.874
  243    HE1  PHE  32           HE1      PHE  32  -3.923  -7.774  -9.612
  244    HE2  PHE  32           HE2      PHE  32  -0.815  -4.916 -10.031
  245    HZ   PHE  32           HZ       PHE  32  -2.027  -6.871 -10.874
  246    H    CYS  33           H        CYS  33  -1.266  -2.811  -4.595
  247    HA   CYS  33           HA       CYS  33  -1.852  -2.745  -1.833
  248   1HB   CYS  33          1HB       CYS  33  -0.346  -0.843  -3.634
  249   2HB   CYS  33          2HB       CYS  33  -0.493  -0.625  -1.902
  250    H    ASP  34           H        ASP  34  -3.104  -1.156  -0.672
  251    HA   ASP  34           HA       ASP  34  -4.450   0.795  -2.348
  252   1HB   ASP  34          1HB       ASP  34  -5.996  -1.142  -1.781
  253   2HB   ASP  34          2HB       ASP  34  -5.780  -0.764  -0.083
  254    HD2  ASP  34           HD2      ASP  34  -8.673   0.985  -1.903
  255    H    CYS  35           H        CYS  35  -4.147   2.857  -1.446
  256    HA   CYS  35           HA       CYS  35  -2.915   2.845   1.205
  257   1HB   CYS  35          1HB       CYS  35  -2.654   4.917  -0.982
  258   2HB   CYS  35          2HB       CYS  35  -1.793   4.893   0.544
  259    H    PHE  36           H        PHE  36  -3.815   4.134   2.843
  260    HA   PHE  36           HA       PHE  36  -5.943   5.966   2.112
  261   1HB   PHE  36          1HB       PHE  36  -7.492   4.807   3.687
  262   2HB   PHE  36          2HB       PHE  36  -6.955   3.668   2.468
  263    HD1  PHE  36           HD1      PHE  36  -5.392   1.876   3.041
  264    HD2  PHE  36           HD2      PHE  36  -6.800   4.578   5.994
  265    HE1  PHE  36           HE1      PHE  36  -4.595   0.322   4.843
  266    HE2  PHE  36           HE2      PHE  36  -6.003   3.023   7.796
  267    HZ   PHE  36           HZ       PHE  36  -4.910   0.914   7.199
  Start of MODEL   16
    1   1H    ARG   1          1H        ARG   1  -5.794   5.700  -2.356
    2   2H    ARG   1          2H        ARG   1  -7.376   5.886  -1.904
    3   3H    ARG   1          3H        ARG   1  -6.541   4.529  -1.455
    4    HA   ARG   1           HA       ARG   1  -8.157   4.350  -3.259
    5   1HB   ARG   1          1HB       ARG   1  -5.875   5.847  -4.625
    6   2HB   ARG   1          2HB       ARG   1  -7.003   4.865  -5.539
    7   1HG   ARG   1          1HG       ARG   1  -8.906   6.213  -4.539
    8   2HG   ARG   1          2HG       ARG   1  -7.720   7.246  -3.766
    9   1HD   ARG   1          1HD       ARG   1  -8.408   8.317  -5.846
   10   2HD   ARG   1          2HD       ARG   1  -6.751   7.780  -6.039
   11    HE   ARG   1           HE       ARG   1  -9.131   6.321  -7.143
   12   1HH1  ARG   1          1HH1      ARG   1  -5.667   6.315  -6.905
   13   2HH1  ARG   1          2HH1      ARG   1  -5.387   6.065  -8.595
   14   1HH2  ARG   1          1HH2      ARG   1  -8.809   5.934  -9.430
   15   2HH2  ARG   1          2HH2      ARG   1  -7.201   5.615  -9.989
   16    HA   PRO   2           HA       PRO   2  -5.582   0.811  -4.222
   17   1HB   PRO   2          1HB       PRO   2  -6.987  -0.274  -6.299
   18   2HB   PRO   2          2HB       PRO   2  -7.355  -0.604  -4.618
   19   1HG   PRO   2          1HG       PRO   2  -8.802   1.130  -6.525
   20   2HG   PRO   2          2HG       PRO   2  -9.365   0.457  -5.008
   21   1HD   PRO   2          1HD       PRO   2  -8.533   3.161  -5.482
   22   2HD   PRO   2          2HD       PRO   2  -8.984   2.458  -3.942
   23    H    THR   3           H        THR   3  -3.879   0.194  -5.558
   24    HA   THR   3           HA       THR   3  -3.582   2.019  -7.851
   25    HB   THR   3           HB       THR   3  -1.249   2.332  -7.202
   26    HG1  THR   3           HG1      THR   3  -0.473   1.032  -5.390
   27   1HG2  THR   3          1HG2      THR   3  -1.410   3.376  -5.026
   28   2HG2  THR   3          2HG2      THR   3  -3.011   3.594  -5.775
   29   3HG2  THR   3          3HG2      THR   3  -2.766   2.326  -4.550
   30    H    ASP   4           H        ASP   4  -1.092   0.915  -8.719
   31    HA   ASP   4           HA       ASP   4  -2.257  -1.499  -9.834
   32   1HB   ASP   4          1HB       ASP   4  -0.730  -1.131 -11.732
   33   2HB   ASP   4          2HB       ASP   4  -1.673   0.313 -11.426
   34    HD2  ASP   4           HD2      ASP   4   2.114   0.774 -11.691
   35    H    ILE   5           H        ILE   5  -0.209  -0.595  -7.386
   36    HA   ILE   5           HA       ILE   5   2.138  -2.074  -8.090
   37    HB   ILE   5           HB       ILE   5   1.265  -0.703  -5.547
   38   1HG1  ILE   5          1HG1      ILE   5   3.289   0.178  -7.623
   39   2HG1  ILE   5          2HG1      ILE   5   1.624   0.726  -7.588
   40   1HG2  ILE   5          1HG2      ILE   5   3.984  -1.841  -6.257
   41   2HG2  ILE   5          2HG2      ILE   5   3.565  -0.928  -4.787
   42   3HG2  ILE   5          3HG2      ILE   5   2.843  -2.529  -5.077
   43   1HD1  ILE   5          1HD1      ILE   5   2.865   2.395  -6.403
   44   2HD1  ILE   5          2HD1      ILE   5   2.050   1.439  -5.142
   45   3HD1  ILE   5          3HD1      ILE   5   3.775   1.172  -5.484
   46    H    LYS   6           H        LYS   6   2.428  -4.225  -7.875
   47    HA   LYS   6           HA       LYS   6   0.295  -5.731  -6.685
   48   1HB   LYS   6          1HB       LYS   6   2.842  -6.538  -8.116
   49   2HB   LYS   6          2HB       LYS   6   1.653  -7.677  -7.518
   50   1HG   LYS   6          1HG       LYS   6  -0.098  -6.661  -8.938
   51   2HG   LYS   6          2HG       LYS   6   1.015  -5.415  -9.469
   52   1HD   LYS   6          1HD       LYS   6   2.459  -7.107 -10.550
   53   2HD   LYS   6          2HD       LYS   6   1.455  -8.403  -9.932
   54   1HE   LYS   6          1HE       LYS   6   0.784  -8.032 -12.227
   55   2HE   LYS   6          2HE       LYS   6  -0.507  -7.414 -11.216
   56   1HZ   LYS   6          1HZ       LYS   6   0.217  -5.919 -13.021
   57   2HZ   LYS   6          2HZ       LYS   6   0.268  -5.227 -11.543
   58   3HZ   LYS   6          3HZ       LYS   6   1.648  -5.719 -12.263
   59    H    CYS   7           H        CYS   7   0.530  -7.276  -4.953
   60    HA   CYS   7           HA       CYS   7   2.961  -7.246  -3.449
   61   1HB   CYS   7          1HB       CYS   7   1.778  -6.512  -1.332
   62   2HB   CYS   7          2HB       CYS   7   2.224  -5.263  -2.479
   63    H    SER   8           H        SER   8   2.913  -8.986  -1.811
   64    HA   SER   8           HA       SER   8   0.675 -10.786  -2.199
   65   1HB   SER   8          1HB       SER   8   2.117 -12.471  -1.079
   66   2HB   SER   8          2HB       SER   8   2.908 -11.766  -2.474
   67    HG   SER   8           HG       SER   8   4.207 -11.962  -0.422
   68    H    GLU   9           H        GLU   9   2.050  -8.469   0.039
   69    HA   GLU   9           HA       GLU   9   0.295  -9.353   2.136
   70   1HB   GLU   9          1HB       GLU   9   3.330  -9.445   2.389
   71   2HB   GLU   9          2HB       GLU   9   2.262  -9.433   3.777
   72   1HG   GLU   9          1HG       GLU   9   1.098 -11.485   2.822
   73   2HG   GLU   9          2HG       GLU   9   2.309 -11.528   1.556
   74    HE2  GLU   9           HE2      GLU   9   3.206 -12.954   5.132
   75    H    SER  10           H        SER  10   0.653  -7.770   4.170
   76    HA   SER  10           HA       SER  10  -0.113  -5.429   2.745
   77   1HB   SER  10          1HB       SER  10  -0.328  -6.267   5.664
   78   2HB   SER  10          2HB       SER  10  -0.895  -4.710   5.090
   79    HG   SER  10           HG       SER  10  -1.786  -7.292   4.117
   80    H    TYR  11           H        TYR  11   2.477  -6.477   4.960
   81    HA   TYR  11           HA       TYR  11   3.268  -3.855   5.718
   82   1HB   TYR  11          1HB       TYR  11   5.164  -5.176   6.692
   83   2HB   TYR  11          2HB       TYR  11   3.658  -6.022   6.986
   84    HD1  TYR  11           HD1      TYR  11   3.348  -8.240   6.231
   85    HD2  TYR  11           HD2      TYR  11   6.607  -5.929   4.702
   86    HE1  TYR  11           HE1      TYR  11   4.301 -10.313   5.111
   87    HE2  TYR  11           HE2      TYR  11   7.549  -8.010   3.587
   88    HH   TYR  11           HH       TYR  11   5.776 -11.071   3.691
   89    H    GLN  12           H        GLN  12   3.595  -5.634   2.793
   90    HA   GLN  12           HA       GLN  12   5.997  -4.396   1.968
   91   1HB   GLN  12          1HB       GLN  12   3.697  -5.597   0.363
   92   2HB   GLN  12          2HB       GLN  12   5.229  -5.098  -0.327
   93   1HG   GLN  12          1HG       GLN  12   6.450  -6.786   0.845
   94   2HG   GLN  12          2HG       GLN  12   5.159  -7.049   2.000
   95   1HE2  GLN  12          1HE2      GLN  12   5.805  -9.287   1.206
   96   2HE2  GLN  12          2HE2      GLN  12   4.817  -9.965  -0.045
   97    H    CYS  13           H        CYS  13   2.529  -3.530   2.002
   98    HA   CYS  13           HA       CYS  13   2.931  -1.523  -0.020
   99   1HB   CYS  13          1HB       CYS  13   0.461  -2.332   1.530
  100   2HB   CYS  13          2HB       CYS  13   0.493  -1.147   0.240
  101    H    PHE  14           H        PHE  14   2.543  -1.843   3.532
  102    HA   PHE  14           HA       PHE  14   1.198   0.536   3.940
  103   1HB   PHE  14          1HB       PHE  14   1.147  -0.825   5.839
  104   2HB   PHE  14          2HB       PHE  14   2.683  -1.567   5.441
  105    HD1  PHE  14           HD1      PHE  14   1.498   1.825   6.490
  106    HD2  PHE  14           HD2      PHE  14   4.322  -1.297   7.025
  107    HE1  PHE  14           HE1      PHE  14   2.608   3.141   8.317
  108    HE2  PHE  14           HE2      PHE  14   5.431   0.018   8.852
  109    HZ   PHE  14           HZ       PHE  14   4.560   2.223   9.476
  110    HA   PRO  15           HA       PRO  15   5.477   2.390   4.816
  111   1HB   PRO  15          1HB       PRO  15   7.712   1.105   3.908
  112   2HB   PRO  15          2HB       PRO  15   7.115   0.945   5.547
  113   1HG   PRO  15          1HG       PRO  15   6.940  -0.984   3.315
  114   2HG   PRO  15          2HG       PRO  15   6.743  -1.272   5.033
  115   1HD   PRO  15          1HD       PRO  15   4.656  -1.089   3.073
  116   2HD   PRO  15          2HD       PRO  15   4.455  -1.260   4.805
  117    H    VAL  16           H        VAL  16   5.011   0.747   1.802
  118    HA   VAL  16           HA       VAL  16   6.426   2.642   0.257
  119    HB   VAL  16           HB       VAL  16   4.930   0.225  -0.097
  120   1HG1  VAL  16          1HG1      VAL  16   4.250   2.441  -2.060
  121   2HG1  VAL  16          2HG1      VAL  16   3.922   0.710  -2.313
  122   3HG1  VAL  16          3HG1      VAL  16   3.120   1.582  -0.984
  123   1HG2  VAL  16          1HG2      VAL  16   7.274   0.574  -0.738
  124   2HG2  VAL  16          2HG2      VAL  16   6.297   0.050  -2.130
  125   3HG2  VAL  16          3HG2      VAL  16   6.769   1.758  -1.967
  126    H    CYS  17           H        CYS  17   3.091   2.388   1.525
  127    HA   CYS  17           HA       CYS  17   2.102   4.508  -0.067
  128   1HB   CYS  17          1HB       CYS  17   1.078   3.120   2.407
  129   2HB   CYS  17          2HB       CYS  17   0.232   4.469   1.674
  130    H    LYS  18           H        LYS  18   3.420   4.125   3.279
  131    HA   LYS  18           HA       LYS  18   2.786   6.741   4.093
  132   1HB   LYS  18          1HB       LYS  18   3.154   4.833   5.622
  133   2HB   LYS  18          2HB       LYS  18   4.850   4.807   5.186
  134   1HG   LYS  18          1HG       LYS  18   3.827   7.479   6.028
  135   2HG   LYS  18          2HG       LYS  18   3.801   6.259   7.286
  136   1HD   LYS  18          1HD       LYS  18   6.205   5.789   6.934
  137   2HD   LYS  18          2HD       LYS  18   6.256   6.908   5.588
  138   1HE   LYS  18          1HE       LYS  18   5.633   8.786   7.128
  139   2HE   LYS  18          2HE       LYS  18   5.589   7.665   8.474
  140   1HZ   LYS  18          1HZ       LYS  18   7.951   8.231   6.817
  141   2HZ   LYS  18          2HZ       LYS  18   7.695   8.782   8.333
  142   3HZ   LYS  18          3HZ       LYS  18   7.910   7.186   8.071
  143    H    SER  19           H        SER  19   5.539   5.273   2.367
  144    HA   SER  19           HA       SER  19   7.178   7.554   2.791
  145   1HB   SER  19          1HB       SER  19   8.189   5.334   2.554
  146   2HB   SER  19          2HB       SER  19   7.462   5.122   0.973
  147    HG   SER  19           HG       SER  19   9.692   5.777   0.809
  148    H    ARG  20           H        ARG  20   5.505   6.054  -0.097
  149    HA   ARG  20           HA       ARG  20   6.733   8.076  -1.684
  150   1HB   ARG  20          1HB       ARG  20   6.496   5.597  -2.326
  151   2HB   ARG  20          2HB       ARG  20   4.787   5.893  -2.574
  152   1HG   ARG  20          1HG       ARG  20   6.594   7.837  -3.936
  153   2HG   ARG  20          2HG       ARG  20   6.721   6.190  -4.521
  154   1HD   ARG  20          1HD       ARG  20   4.264   6.113  -4.909
  155   2HD   ARG  20          2HD       ARG  20   4.092   7.731  -4.260
  156    HE   ARG  20           HE       ARG  20   6.036   7.775  -6.374
  157   1HH1  ARG  20          1HH1      ARG  20   2.570   7.438  -5.866
  158   2HH1  ARG  20          2HH1      ARG  20   2.151   8.063  -7.426
  159   1HH2  ARG  20          1HH2      ARG  20   5.483   8.607  -8.429
  160   2HH2  ARG  20          2HH2      ARG  20   3.820   8.737  -8.892
  161    H    PHE  21           H        PHE  21   3.403   7.010  -0.756
  162    HA   PHE  21           HA       PHE  21   2.258   9.146  -2.344
  163   1HB   PHE  21          1HB       PHE  21   1.232   6.818  -0.624
  164   2HB   PHE  21          2HB       PHE  21   0.127   7.973  -1.344
  165    HD1  PHE  21           HD1      PHE  21   2.563   5.311  -2.073
  166    HD2  PHE  21           HD2      PHE  21  -0.399   7.893  -3.677
  167    HE1  PHE  21           HE1      PHE  21   2.538   3.966  -4.193
  168    HE2  PHE  21           HE2      PHE  21  -0.423   6.548  -5.796
  169    HZ   PHE  21           HZ       PHE  21   1.046   4.601  -6.028
  170    H    GLY  22           H        GLY  22   3.120   8.391   0.992
  171   1HA   GLY  22          1HA       GLY  22   3.410   9.932   2.641
  172   2HA   GLY  22          2HA       GLY  22   2.618  11.150   1.660
  173    H    LYS  23           H        LYS  23   1.077   7.988   2.170
  174    HA   LYS  23           HA       LYS  23  -1.128   9.379   3.428
  175   1HB   LYS  23          1HB       LYS  23  -0.833   6.555   2.365
  176   2HB   LYS  23          2HB       LYS  23  -2.300   7.197   3.075
  177   1HG   LYS  23          1HG       LYS  23  -1.411   9.117   1.133
  178   2HG   LYS  23          2HG       LYS  23  -1.293   7.541   0.376
  179   1HD   LYS  23          1HD       LYS  23  -3.524   8.182  -0.080
  180   2HD   LYS  23          2HD       LYS  23  -3.696   7.114   1.299
  181   1HE   LYS  23          1HE       LYS  23  -3.838   9.031   2.837
  182   2HE   LYS  23          2HE       LYS  23  -3.480  10.152   1.540
  183   1HZ   LYS  23          1HZ       LYS  23  -5.844   8.410   1.658
  184   2HZ   LYS  23          2HZ       LYS  23  -5.829  10.013   1.973
  185   3HZ   LYS  23          3HZ       LYS  23  -5.513   9.473   0.464
  186    H    THR  24           H        THR  24  -2.297   7.880   5.209
  187    HA   THR  24           HA       THR  24  -0.430   7.917   7.382
  188    HB   THR  24           HB       THR  24  -2.672   7.087   8.536
  189    HG1  THR  24           HG1      THR  24  -3.671   6.443   6.520
  190   1HG2  THR  24          1HG2      THR  24  -3.665   9.357   8.406
  191   2HG2  THR  24          2HG2      THR  24  -1.901   9.488   8.600
  192   3HG2  THR  24          3HG2      THR  24  -2.642   9.740   7.001
  193    H    ASN  25           H        ASN  25  -1.990   5.429   5.351
  194    HA   ASN  25           HA       ASN  25  -0.230   3.478   6.404
  195   1HB   ASN  25          1HB       ASN  25  -2.214   3.690   8.106
  196   2HB   ASN  25          2HB       ASN  25  -3.206   2.967   6.855
  197   1HD2  ASN  25          1HD2      ASN  25  -0.291   2.540   8.800
  198   2HD2  ASN  25          2HD2      ASN  25  -0.277   0.807   8.822
  199    H    GLY  26           H        GLY  26  -0.801   1.247   5.306
  200   1HA   GLY  26          1HA       GLY  26  -2.605   1.493   3.012
  201   2HA   GLY  26          2HA       GLY  26  -0.915   1.159   2.688
  202    H    ARG  27           H        ARG  27  -2.896  -0.685   1.933
  203    HA   ARG  27           HA       ARG  27  -2.101  -2.912   3.534
  204   1HB   ARG  27          1HB       ARG  27  -4.231  -1.989   4.618
  205   2HB   ARG  27          2HB       ARG  27  -5.080  -2.351   3.128
  206   1HG   ARG  27          1HG       ARG  27  -4.525  -4.749   3.343
  207   2HG   ARG  27          2HG       ARG  27  -3.547  -4.428   4.761
  208   1HD   ARG  27          1HD       ARG  27  -5.567  -3.599   5.979
  209   2HD   ARG  27          2HD       ARG  27  -6.551  -3.889   4.558
  210    HE   ARG  27           HE       ARG  27  -5.169  -6.311   5.197
  211   1HH1  ARG  27          1HH1      ARG  27  -7.710  -4.251   6.494
  212   2HH1  ARG  27          2HH1      ARG  27  -8.534  -5.550   7.289
  213   1HH2  ARG  27          1HH2      ARG  27  -6.256  -8.026   6.249
  214   2HH2  ARG  27          2HH2      ARG  27  -7.697  -7.711   7.154
  215    H    CYS  28           H        CYS  28  -2.354  -4.946   2.369
  216    HA   CYS  28           HA       CYS  28  -2.445  -4.499  -0.464
  217   1HB   CYS  28          1HB       CYS  28  -0.724  -5.910   0.729
  218   2HB   CYS  28          2HB       CYS  28  -1.982  -7.099   1.003
  219    H    VAL  29           H        VAL  29  -4.544  -4.273  -1.244
  220    HA   VAL  29           HA       VAL  29  -6.561  -6.121  -0.220
  221    HB   VAL  29           HB       VAL  29  -6.740  -3.604  -1.888
  222   1HG1  VAL  29          1HG1      VAL  29  -9.212  -3.807  -1.455
  223   2HG1  VAL  29          2HG1      VAL  29  -8.545  -5.031  -2.562
  224   3HG1  VAL  29          3HG1      VAL  29  -8.912  -5.463  -0.874
  225   1HG2  VAL  29          1HG2      VAL  29  -7.499  -4.165   0.999
  226   2HG2  VAL  29          2HG2      VAL  29  -6.133  -3.172   0.437
  227   3HG2  VAL  29          3HG2      VAL  29  -7.804  -2.645   0.123
  228    H    ASN  30           H        ASN  30  -6.565  -8.058  -1.272
  229    HA   ASN  30           HA       ASN  30  -6.919  -9.466  -2.880
  230   1HB   ASN  30          1HB       ASN  30  -7.696  -7.045  -4.591
  231   2HB   ASN  30          2HB       ASN  30  -8.123  -8.710  -4.934
  232   1HD2  ASN  30          1HD2      ASN  30  -9.995  -6.695  -4.685
  233   2HD2  ASN  30          2HD2      ASN  30 -10.976  -6.944  -3.280
  234    H    GLY  31           H        GLY  31  -4.241  -8.218  -2.597
  235   1HA   GLY  31          1HA       GLY  31  -2.339  -9.023  -3.601
  236   2HA   GLY  31          2HA       GLY  31  -3.228  -9.347  -5.076
  237    H    PHE  32           H        PHE  32  -4.034  -6.230  -3.917
  238    HA   PHE  32           HA       PHE  32  -1.788  -4.986  -5.315
  239   1HB   PHE  32          1HB       PHE  32  -4.809  -4.722  -5.726
  240   2HB   PHE  32          2HB       PHE  32  -3.764  -3.375  -6.132
  241    HD1  PHE  32           HD1      PHE  32  -4.903  -6.677  -7.109
  242    HD2  PHE  32           HD2      PHE  32  -2.107  -3.599  -7.957
  243    HE1  PHE  32           HE1      PHE  32  -4.462  -7.698  -9.359
  244    HE2  PHE  32           HE2      PHE  32  -1.666  -4.619 -10.207
  245    HZ   PHE  32           HZ       PHE  32  -2.848  -6.657 -10.882
  246    H    CYS  33           H        CYS  33  -1.286  -2.830  -4.598
  247    HA   CYS  33           HA       CYS  33  -1.760  -2.633  -1.816
  248   1HB   CYS  33          1HB       CYS  33  -0.289  -0.839  -3.753
  249   2HB   CYS  33          2HB       CYS  33  -0.361  -0.553  -2.026
  250    H    ASP  34           H        ASP  34  -3.120  -1.176  -0.702
  251    HA   ASP  34           HA       ASP  34  -4.394   0.846  -2.362
  252   1HB   ASP  34          1HB       ASP  34  -5.974  -1.046  -1.770
  253   2HB   ASP  34          2HB       ASP  34  -5.711  -0.692  -0.074
  254    HD2  ASP  34           HD2      ASP  34  -7.636   2.291  -0.272
  255    H    CYS  35           H        CYS  35  -4.173   2.919  -1.446
  256    HA   CYS  35           HA       CYS  35  -2.897   2.958   1.181
  257   1HB   CYS  35          1HB       CYS  35  -2.871   5.104  -0.949
  258   2HB   CYS  35          2HB       CYS  35  -1.954   5.093   0.544
  259    H    PHE  36           H        PHE  36  -3.724   4.380   2.816
  260    HA   PHE  36           HA       PHE  36  -5.862   6.167   2.179
  261   1HB   PHE  36          1HB       PHE  36  -7.384   4.951   3.881
  262   2HB   PHE  36          2HB       PHE  36  -7.163   4.101   2.364
  263    HD1  PHE  36           HD1      PHE  36  -6.367   4.120   5.935
  264    HD2  PHE  36           HD2      PHE  36  -5.867   2.049   2.263
  265    HE1  PHE  36           HE1      PHE  36  -5.563   2.097   7.184
  266    HE2  PHE  36           HE2      PHE  36  -5.063   0.027   3.514
  267    HZ   PHE  36           HZ       PHE  36  -4.921   0.075   5.959
  Start of MODEL   17
    1   1H    ARG   1          1H        ARG   1  -7.930   3.673  -1.081
    2   2H    ARG   1          2H        ARG   1  -6.513   4.445  -1.451
    3   3H    ARG   1          3H        ARG   1  -7.940   5.284  -1.462
    4    HA   ARG   1           HA       ARG   1  -8.720   3.716  -3.132
    5   1HB   ARG   1          1HB       ARG   1  -7.810   5.068  -4.963
    6   2HB   ARG   1          2HB       ARG   1  -8.077   6.115  -3.582
    7   1HG   ARG   1          1HG       ARG   1  -5.620   5.766  -2.954
    8   2HG   ARG   1          2HG       ARG   1  -5.413   4.921  -4.476
    9   1HD   ARG   1          1HD       ARG   1  -6.244   6.981  -5.690
   10   2HD   ARG   1          2HD       ARG   1  -6.338   7.818  -4.153
   11    HE   ARG   1           HE       ARG   1  -3.714   6.694  -4.424
   12   1HH1  ARG   1          1HH1      ARG   1  -5.713   9.213  -5.850
   13   2HH1  ARG   1          2HH1      ARG   1  -4.371  10.239  -6.234
   14   1HH2  ARG   1          1HH2      ARG   1  -1.943   8.049  -4.925
   15   2HH2  ARG   1          2HH2      ARG   1  -2.210   9.565  -5.718
   16    HA   PRO   2           HA       PRO   2  -5.781   0.662  -4.334
   17   1HB   PRO   2          1HB       PRO   2  -6.792  -0.111  -6.752
   18   2HB   PRO   2          2HB       PRO   2  -7.403  -0.711  -5.223
   19   1HG   PRO   2          1HG       PRO   2  -8.612   1.271  -7.052
   20   2HG   PRO   2          2HG       PRO   2  -9.375   0.355  -5.767
   21   1HD   PRO   2          1HD       PRO   2  -8.604   3.116  -5.683
   22   2HD   PRO   2          2HD       PRO   2  -9.259   2.171  -4.361
   23    H    THR   3           H        THR   3  -3.999   0.119  -5.745
   24    HA   THR   3           HA       THR   3  -3.308   2.420  -7.431
   25    HB   THR   3           HB       THR   3  -1.148   2.603  -6.305
   26    HG1  THR   3           HG1      THR   3  -2.212   0.350  -4.752
   27   1HG2  THR   3          1HG2      THR   3  -1.753   3.142  -3.997
   28   2HG2  THR   3          2HG2      THR   3  -3.120   3.625  -5.030
   29   3HG2  THR   3          3HG2      THR   3  -3.205   2.116  -4.091
   30    H    ASP   4           H        ASP   4  -0.672   1.533  -8.032
   31    HA   ASP   4           HA       ASP   4  -1.521  -0.556  -9.842
   32   1HB   ASP   4          1HB       ASP   4   0.444   0.099 -11.177
   33   2HB   ASP   4          2HB       ASP   4  -0.518   1.511 -10.786
   34    HD2  ASP   4           HD2      ASP   4   3.256   1.406  -9.705
   35    H    ILE   5           H        ILE   5   0.000  -0.247  -6.847
   36    HA   ILE   5           HA       ILE   5   2.405  -1.710  -7.440
   37    HB   ILE   5           HB       ILE   5   1.292  -0.620  -4.852
   38   1HG1  ILE   5          1HG1      ILE   5   3.428   0.515  -6.682
   39   2HG1  ILE   5          2HG1      ILE   5   1.774   1.089  -6.599
   40   1HG2  ILE   5          1HG2      ILE   5   3.516  -0.948  -3.936
   41   2HG2  ILE   5          2HG2      ILE   5   2.847  -2.497  -4.502
   42   3HG2  ILE   5          3HG2      ILE   5   4.075  -1.649  -5.473
   43   1HD1  ILE   5          1HD1      ILE   5   2.227   1.323  -4.014
   44   2HD1  ILE   5          2HD1      ILE   5   3.942   1.257  -4.491
   45   3HD1  ILE   5          3HD1      ILE   5   2.890   2.547  -5.124
   46    H    LYS   6           H        LYS   6   2.463  -3.884  -7.577
   47    HA   LYS   6           HA       LYS   6   0.350  -5.438  -6.407
   48   1HB   LYS   6          1HB       LYS   6   1.506  -5.856  -8.650
   49   2HB   LYS   6          2HB       LYS   6   2.873  -6.453  -7.731
   50   1HG   LYS   6          1HG       LYS   6   1.395  -8.124  -6.605
   51   2HG   LYS   6          2HG       LYS   6   0.018  -7.519  -7.503
   52   1HD   LYS   6          1HD       LYS   6   1.318  -8.067  -9.654
   53   2HD   LYS   6          2HD       LYS   6   2.494  -8.885  -8.646
   54   1HE   LYS   6          1HE       LYS   6  -0.486  -9.558  -8.752
   55   2HE   LYS   6          2HE       LYS   6   0.775 -10.458  -9.570
   56   1HZ   LYS   6          1HZ       LYS   6   0.375 -11.532  -7.555
   57   2HZ   LYS   6          2HZ       LYS   6   1.784 -10.741  -7.321
   58   3HZ   LYS   6          3HZ       LYS   6   0.402 -10.154  -6.679
   59    H    CYS   7           H        CYS   7   0.555  -6.960  -4.697
   60    HA   CYS   7           HA       CYS   7   3.023  -6.947  -3.212
   61   1HB   CYS   7          1HB       CYS   7   1.855  -6.280  -1.095
   62   2HB   CYS   7          2HB       CYS   7   2.162  -4.992  -2.242
   63    H    SER   8           H        SER   8   2.960  -8.670  -1.510
   64    HA   SER   8           HA       SER   8   0.831 -10.574  -2.038
   65   1HB   SER   8          1HB       SER   8   2.300 -12.242  -0.985
   66   2HB   SER   8          2HB       SER   8   3.154 -11.404  -2.264
   67    HG   SER   8           HG       SER   8   3.596 -11.378   0.521
   68    H    GLU   9           H        GLU   9   1.927  -8.185   0.222
   69    HA   GLU   9           HA       GLU   9   0.140  -9.142   2.241
   70   1HB   GLU   9          1HB       GLU   9   3.098  -9.475   2.428
   71   2HB   GLU   9          2HB       GLU   9   2.336  -8.792   3.851
   72   1HG   GLU   9          1HG       GLU   9   1.519 -10.820   4.450
   73   2HG   GLU   9          2HG       GLU   9   0.700 -10.988   2.910
   74    HE2  GLU   9           HE2      GLU   9   1.636 -12.131   1.404
   75    H    SER  10           H        SER  10   0.225  -7.523   4.225
   76    HA   SER  10           HA       SER  10  -0.350  -5.135   2.792
   77   1HB   SER  10          1HB       SER  10  -0.782  -5.904   5.712
   78   2HB   SER  10          2HB       SER  10  -1.386  -4.429   4.986
   79    HG   SER  10           HG       SER  10  -2.941  -6.252   5.063
   80    H    TYR  11           H        TYR  11   2.032  -6.307   5.163
   81    HA   TYR  11           HA       TYR  11   2.866  -3.745   6.045
   82   1HB   TYR  11          1HB       TYR  11   4.543  -5.118   7.182
   83   2HB   TYR  11          2HB       TYR  11   3.104  -6.116   7.112
   84    HD1  TYR  11           HD1      TYR  11   3.102  -8.198   5.956
   85    HD2  TYR  11           HD2      TYR  11   6.401  -5.512   5.500
   86    HE1  TYR  11           HE1      TYR  11   4.432 -10.019   4.780
   87    HE2  TYR  11           HE2      TYR  11   7.720  -7.341   4.327
   88    HH   TYR  11           HH       TYR  11   7.745  -9.387   3.651
   89    H    GLN  12           H        GLN  12   3.330  -5.486   3.097
   90    HA   GLN  12           HA       GLN  12   5.834  -4.319   2.478
   91   1HB   GLN  12          1HB       GLN  12   3.685  -5.538   0.688
   92   2HB   GLN  12          2HB       GLN  12   5.289  -5.086   0.144
   93   1HG   GLN  12          1HG       GLN  12   6.347  -6.728   1.570
   94   2HG   GLN  12          2HG       GLN  12   4.872  -7.001   2.476
   95   1HE2  GLN  12          1HE2      GLN  12   6.012  -9.169   1.596
   96   2HE2  GLN  12          2HE2      GLN  12   5.187  -9.877   0.247
   97    H    CYS  13           H        CYS  13   2.458  -3.303   2.406
   98    HA   CYS  13           HA       CYS  13   2.907  -1.417   0.281
   99   1HB   CYS  13          1HB       CYS  13   0.453  -1.965   1.964
  100   2HB   CYS  13          2HB       CYS  13   0.518  -0.873   0.596
  101    H    PHE  14           H        PHE  14   2.651  -1.554   3.858
  102    HA   PHE  14           HA       PHE  14   1.465   0.906   4.226
  103   1HB   PHE  14          1HB       PHE  14   1.476  -0.324   6.207
  104   2HB   PHE  14          2HB       PHE  14   2.915  -1.205   5.735
  105    HD1  PHE  14           HD1      PHE  14   2.114   2.339   6.639
  106    HD2  PHE  14           HD2      PHE  14   4.651  -1.013   7.222
  107    HE1  PHE  14           HE1      PHE  14   3.461   3.648   8.304
  108    HE2  PHE  14           HE2      PHE  14   5.998   0.297   8.887
  109    HZ   PHE  14           HZ       PHE  14   5.386   2.611   9.408
  110    HA   PRO  15           HA       PRO  15   5.860   2.605   4.766
  111   1HB   PRO  15          1HB       PRO  15   7.990   1.168   3.837
  112   2HB   PRO  15          2HB       PRO  15   7.467   1.134   5.509
  113   1HG   PRO  15          1HG       PRO  15   7.102  -0.916   3.410
  114   2HG   PRO  15          2HG       PRO  15   6.976  -1.091   5.149
  115   1HD   PRO  15          1HD       PRO  15   4.807  -0.929   3.281
  116   2HD   PRO  15          2HD       PRO  15   4.683  -0.988   5.028
  117    H    VAL  16           H        VAL  16   5.159   0.819   1.886
  118    HA   VAL  16           HA       VAL  16   6.649   2.521   0.184
  119    HB   VAL  16           HB       VAL  16   5.054   0.147   0.030
  120   1HG1  VAL  16          1HG1      VAL  16   3.286   1.519  -0.931
  121   2HG1  VAL  16          2HG1      VAL  16   4.433   2.230  -2.092
  122   3HG1  VAL  16          3HG1      VAL  16   4.021   0.501  -2.194
  123   1HG2  VAL  16          1HG2      VAL  16   6.921   1.463  -1.973
  124   2HG2  VAL  16          2HG2      VAL  16   7.398   0.351  -0.668
  125   3HG2  VAL  16          3HG2      VAL  16   6.377  -0.232  -2.004
  126    H    CYS  17           H        CYS  17   3.342   2.519   1.532
  127    HA   CYS  17           HA       CYS  17   2.381   4.468  -0.284
  128   1HB   CYS  17          1HB       CYS  17   1.312   3.493   2.372
  129   2HB   CYS  17          2HB       CYS  17   0.471   4.618   1.323
  130    H    LYS  18           H        LYS  18   3.895   4.408   2.971
  131    HA   LYS  18           HA       LYS  18   3.409   7.144   3.524
  132   1HB   LYS  18          1HB       LYS  18   3.779   5.419   5.257
  133   2HB   LYS  18          2HB       LYS  18   5.434   5.225   4.715
  134   1HG   LYS  18          1HG       LYS  18   6.034   7.460   5.376
  135   2HG   LYS  18          2HG       LYS  18   4.358   7.953   5.531
  136   1HD   LYS  18          1HD       LYS  18   5.248   7.594   7.769
  137   2HD   LYS  18          2HD       LYS  18   4.084   6.326   7.439
  138   1HE   LYS  18          1HE       LYS  18   5.864   4.724   6.930
  139   2HE   LYS  18          2HE       LYS  18   7.084   5.981   6.990
  140   1HZ   LYS  18          1HZ       LYS  18   6.605   6.283   9.309
  141   2HZ   LYS  18          2HZ       LYS  18   5.414   5.166   9.267
  142   3HZ   LYS  18          3HZ       LYS  18   6.965   4.714   9.031
  143    H    SER  19           H        SER  19   5.913   5.301   1.791
  144    HA   SER  19           HA       SER  19   7.747   7.434   1.739
  145   1HB   SER  19          1HB       SER  19   8.445   5.089   1.437
  146   2HB   SER  19          2HB       SER  19   7.480   4.957  -0.020
  147    HG   SER  19           HG       SER  19   8.875   6.322  -1.125
  148    H    ARG  20           H        ARG  20   5.250   6.136  -0.555
  149    HA   ARG  20           HA       ARG  20   6.256   7.867  -2.582
  150   1HB   ARG  20          1HB       ARG  20   5.519   5.550  -3.118
  151   2HB   ARG  20          2HB       ARG  20   3.898   5.916  -2.562
  152   1HG   ARG  20          1HG       ARG  20   3.566   7.539  -4.355
  153   2HG   ARG  20          2HG       ARG  20   5.253   7.452  -4.824
  154   1HD   ARG  20          1HD       ARG  20   5.009   5.170  -5.622
  155   2HD   ARG  20          2HD       ARG  20   3.426   5.009  -4.888
  156    HE   ARG  20           HE       ARG  20   3.458   7.228  -6.747
  157   1HH1  ARG  20          1HH1      ARG  20   3.712   3.730  -6.851
  158   2HH1  ARG  20          2HH1      ARG  20   2.605   3.553  -8.172
  159   1HH2  ARG  20          1HH2      ARG  20   2.066   7.013  -8.562
  160   2HH2  ARG  20          2HH2      ARG  20   1.789   5.447  -9.247
  161    H    PHE  21           H        PHE  21   3.047   7.314  -0.936
  162    HA   PHE  21           HA       PHE  21   2.065   9.711  -2.253
  163   1HB   PHE  21          1HB       PHE  21   0.748   7.537  -0.515
  164   2HB   PHE  21          2HB       PHE  21  -0.134   8.761  -1.406
  165    HD1  PHE  21           HD1      PHE  21   0.692   5.447  -1.461
  166    HD2  PHE  21           HD2      PHE  21   0.714   8.824  -4.030
  167    HE1  PHE  21           HE1      PHE  21   0.600   3.928  -3.457
  168    HE2  PHE  21           HE2      PHE  21   0.622   7.305  -6.027
  169    HZ   PHE  21           HZ       PHE  21   0.567   4.876  -5.716
  170    H    GLY  22           H        GLY  22   3.234   8.596   0.842
  171   1HA   GLY  22          1HA       GLY  22   3.588   9.818   2.731
  172   2HA   GLY  22          2HA       GLY  22   2.705  11.166   2.043
  173    H    LYS  23           H        LYS  23   1.281   7.913   2.013
  174    HA   LYS  23           HA       LYS  23  -0.842   8.945   3.706
  175   1HB   LYS  23          1HB       LYS  23  -0.599   6.619   1.798
  176   2HB   LYS  23          2HB       LYS  23  -1.929   6.730   2.933
  177   1HG   LYS  23          1HG       LYS  23  -2.547   8.961   2.029
  178   2HG   LYS  23          2HG       LYS  23  -1.177   8.920   0.938
  179   1HD   LYS  23          1HD       LYS  23  -2.101   6.985  -0.255
  180   2HD   LYS  23          2HD       LYS  23  -3.391   6.819   0.920
  181   1HE   LYS  23          1HE       LYS  23  -4.248   9.097   0.276
  182   2HE   LYS  23          2HE       LYS  23  -2.980   9.220  -0.928
  183   1HZ   LYS  23          1HZ       LYS  23  -3.875   7.273  -1.998
  184   2HZ   LYS  23          2HZ       LYS  23  -5.044   7.129  -0.867
  185   3HZ   LYS  23          3HZ       LYS  23  -5.031   8.419  -1.868
  186    H    THR  24           H        THR  24  -1.815   7.335   5.351
  187    HA   THR  24           HA       THR  24   0.379   7.072   7.175
  188    HB   THR  24           HB       THR  24  -1.642   6.484   8.714
  189    HG1  THR  24           HG1      THR  24  -3.666   6.739   7.619
  190   1HG2  THR  24          1HG2      THR  24  -2.548   8.778   8.691
  191   2HG2  THR  24          2HG2      THR  24  -0.785   8.860   8.453
  192   3HG2  THR  24          3HG2      THR  24  -1.881   9.054   7.064
  193    H    ASN  25           H        ASN  25  -1.855   4.846   5.462
  194    HA   ASN  25           HA       ASN  25  -0.047   2.717   6.001
  195   1HB   ASN  25          1HB       ASN  25  -1.695   2.966   8.052
  196   2HB   ASN  25          2HB       ASN  25  -2.911   2.321   6.967
  197   1HD2  ASN  25          1HD2      ASN  25   0.210   1.732   8.478
  198   2HD2  ASN  25          2HD2      ASN  25   0.179   0.001   8.418
  199    H    GLY  26           H        GLY  26  -0.939   0.630   4.875
  200   1HA   GLY  26          1HA       GLY  26  -3.113   1.150   2.978
  201   2HA   GLY  26          2HA       GLY  26  -1.534   0.747   2.333
  202    H    ARG  27           H        ARG  27  -3.857  -0.878   1.927
  203    HA   ARG  27           HA       ARG  27  -3.059  -3.203   3.479
  204   1HB   ARG  27          1HB       ARG  27  -5.260  -2.296   4.297
  205   2HB   ARG  27          2HB       ARG  27  -5.918  -2.456   2.681
  206   1HG   ARG  27          1HG       ARG  27  -5.612  -4.897   2.736
  207   2HG   ARG  27          2HG       ARG  27  -4.774  -4.798   4.271
  208   1HD   ARG  27          1HD       ARG  27  -6.855  -3.855   5.329
  209   2HD   ARG  27          2HD       ARG  27  -7.689  -4.007   3.796
  210    HE   ARG  27           HE       ARG  27  -7.820  -6.341   4.097
  211   1HH1  ARG  27          1HH1      ARG  27  -5.495  -5.000   6.372
  212   2HH1  ARG  27          2HH1      ARG  27  -5.472  -6.409   7.378
  213   1HH2  ARG  27          1HH2      ARG  27  -7.772  -8.212   5.411
  214   2HH2  ARG  27          2HH2      ARG  27  -6.734  -8.269   6.796
  215    H    CYS  28           H        CYS  28  -2.986  -5.185   2.291
  216    HA   CYS  28           HA       CYS  28  -2.735  -4.744  -0.527
  217   1HB   CYS  28          1HB       CYS  28  -1.170  -6.103   0.987
  218   2HB   CYS  28          2HB       CYS  28  -2.379  -7.369   0.909
  219    H    VAL  29           H        VAL  29  -4.867  -4.453  -1.346
  220    HA   VAL  29           HA       VAL  29  -6.825  -6.503  -0.670
  221    HB   VAL  29           HB       VAL  29  -7.013  -3.842  -2.093
  222   1HG1  VAL  29          1HG1      VAL  29  -8.671  -5.258  -3.082
  223   2HG1  VAL  29          2HG1      VAL  29  -9.154  -5.906  -1.496
  224   3HG1  VAL  29          3HG1      VAL  29  -9.501  -4.209  -1.907
  225   1HG2  VAL  29          1HG2      VAL  29  -8.316  -3.175  -0.095
  226   2HG2  VAL  29          2HG2      VAL  29  -7.971  -4.759   0.640
  227   3HG2  VAL  29          3HG2      VAL  29  -6.641  -3.625   0.303
  228    H    ASN  30           H        ASN  30  -6.992  -8.270  -1.941
  229    HA   ASN  30           HA       ASN  30  -7.008  -9.555  -3.686
  230   1HB   ASN  30          1HB       ASN  30  -7.322  -6.998  -5.346
  231   2HB   ASN  30          2HB       ASN  30  -7.724  -8.617  -5.883
  232   1HD2  ASN  30          1HD2      ASN  30  -9.528  -6.518  -5.888
  233   2HD2  ASN  30          2HD2      ASN  30 -10.797  -6.806  -4.746
  234    H    GLY  31           H        GLY  31  -4.430  -8.344  -2.745
  235   1HA   GLY  31          1HA       GLY  31  -2.327  -9.018  -3.316
  236   2HA   GLY  31          2HA       GLY  31  -2.880  -9.432  -4.928
  237    H    PHE  32           H        PHE  32  -3.939  -6.289  -3.928
  238    HA   PHE  32           HA       PHE  32  -1.534  -5.019  -4.984
  239   1HB   PHE  32          1HB       PHE  32  -4.412  -4.949  -5.983
  240   2HB   PHE  32          2HB       PHE  32  -3.458  -3.486  -6.135
  241    HD1  PHE  32           HD1      PHE  32  -1.622  -3.355  -7.704
  242    HD2  PHE  32           HD2      PHE  32  -3.835  -6.950  -7.270
  243    HE1  PHE  32           HE1      PHE  32  -0.621  -4.229  -9.833
  244    HE2  PHE  32           HE2      PHE  32  -2.834  -7.823  -9.399
  245    HZ   PHE  32           HZ       PHE  32  -1.238  -6.453 -10.656
  246    H    CYS  33           H        CYS  33  -1.323  -2.739  -4.345
  247    HA   CYS  33           HA       CYS  33  -2.059  -2.682  -1.608
  248   1HB   CYS  33          1HB       CYS  33  -0.497  -0.731  -3.311
  249   2HB   CYS  33          2HB       CYS  33  -0.716  -0.574  -1.580
  250    H    ASP  34           H        ASP  34  -3.643  -1.398  -0.609
  251    HA   ASP  34           HA       ASP  34  -4.818   0.659  -2.311
  252   1HB   ASP  34          1HB       ASP  34  -6.429  -1.175  -1.816
  253   2HB   ASP  34          2HB       ASP  34  -6.140  -0.981  -0.097
  254    HD2  ASP  34           HD2      ASP  34  -8.473  -0.921  -1.150
  255    H    CYS  35           H        CYS  35  -4.274   2.703  -1.478
  256    HA   CYS  35           HA       CYS  35  -3.071   2.620   1.179
  257   1HB   CYS  35          1HB       CYS  35  -2.601   4.510  -1.136
  258   2HB   CYS  35          2HB       CYS  35  -1.830   4.633   0.432
  259    H    PHE  36           H        PHE  36  -3.617   4.258   2.736
  260    HA   PHE  36           HA       PHE  36  -5.500   6.295   2.030
  261   1HB   PHE  36          1HB       PHE  36  -7.117   5.324   3.845
  262   2HB   PHE  36          2HB       PHE  36  -7.100   4.493   2.301
  263    HD1  PHE  36           HD1      PHE  36  -5.886   4.332   5.783
  264    HD2  PHE  36           HD2      PHE  36  -6.389   2.233   2.130
  265    HE1  PHE  36           HE1      PHE  36  -5.338   2.177   6.947
  266    HE2  PHE  36           HE2      PHE  36  -5.842   0.077   3.295
  267    HZ   PHE  36           HZ       PHE  36  -5.322   0.075   5.689
  Start of MODEL   18
    1   1H    ARG   1          1H        ARG   1  -4.482   5.515  -2.084
    2   2H    ARG   1          2H        ARG   1  -5.510   6.812  -2.124
    3   3H    ARG   1          3H        ARG   1  -5.966   5.418  -1.355
    4    HA   ARG   1           HA       ARG   1  -7.106   5.401  -3.247
    5   1HB   ARG   1          1HB       ARG   1  -5.955   5.710  -5.499
    6   2HB   ARG   1          2HB       ARG   1  -5.973   7.149  -4.499
    7   1HG   ARG   1          1HG       ARG   1  -3.659   6.787  -3.802
    8   2HG   ARG   1          2HG       ARG   1  -3.623   5.203  -4.548
    9   1HD   ARG   1          1HD       ARG   1  -2.499   6.688  -6.079
   10   2HD   ARG   1          2HD       ARG   1  -4.060   6.342  -6.797
   11    HE   ARG   1           HE       ARG   1  -4.295   8.678  -5.143
   12   1HH1  ARG   1          1HH1      ARG   1  -2.804   7.654  -8.161
   13   2HH1  ARG   1          2HH1      ARG   1  -2.923   9.217  -8.898
   14   1HH2  ARG   1          1HH2      ARG   1  -4.451  10.741  -6.114
   15   2HH2  ARG   1          2HH2      ARG   1  -3.849  10.989  -7.719
   16    HA   PRO   2           HA       PRO   2  -5.598   1.307  -4.261
   17   1HB   PRO   2          1HB       PRO   2  -7.293   0.669  -6.308
   18   2HB   PRO   2          2HB       PRO   2  -7.695   0.426  -4.620
   19   1HG   PRO   2          1HG       PRO   2  -8.668   2.512  -6.474
   20   2HG   PRO   2          2HG       PRO   2  -9.354   1.993  -4.948
   21   1HD   PRO   2          1HD       PRO   2  -7.838   4.381  -5.424
   22   2HD   PRO   2          2HD       PRO   2  -8.425   3.804  -3.877
   23    H    THR   3           H        THR   3  -4.112   0.311  -5.606
   24    HA   THR   3           HA       THR   3  -3.449   1.960  -7.951
   25    HB   THR   3           HB       THR   3  -1.037   1.580  -7.319
   26    HG1  THR   3           HG1      THR   3  -1.938  -0.368  -5.964
   27   1HG2  THR   3          1HG2      THR   3  -0.925   3.101  -5.425
   28   2HG2  THR   3          2HG2      THR   3  -2.311   3.627  -6.409
   29   3HG2  THR   3          3HG2      THR   3  -2.582   2.686  -4.923
   30    H    ASP   4           H        ASP   4  -1.271   0.337  -8.813
   31    HA   ASP   4           HA       ASP   4  -2.536  -2.281  -9.012
   32   1HB   ASP   4          1HB       ASP   4  -1.598  -2.504 -11.280
   33   2HB   ASP   4          2HB       ASP   4  -2.631  -1.092 -11.189
   34    HD2  ASP   4           HD2      ASP   4   0.717  -0.451 -12.785
   35    H    ILE   5           H        ILE   5  -0.382  -0.872  -7.240
   36    HA   ILE   5           HA       ILE   5   2.072  -2.138  -7.953
   37    HB   ILE   5           HB       ILE   5   1.126  -0.747  -5.448
   38   1HG1  ILE   5          1HG1      ILE   5   3.103   0.268  -7.491
   39   2HG1  ILE   5          2HG1      ILE   5   1.379   0.523  -7.679
   40   1HG2  ILE   5          1HG2      ILE   5   2.863  -2.339  -4.860
   41   2HG2  ILE   5          2HG2      ILE   5   3.903  -1.727  -6.169
   42   3HG2  ILE   5          3HG2      ILE   5   3.497  -0.678  -4.789
   43   1HD1  ILE   5          1HD1      ILE   5   1.340   1.541  -5.349
   44   2HD1  ILE   5          2HD1      ILE   5   3.116   1.431  -5.342
   45   3HD1  ILE   5          3HD1      ILE   5   2.292   2.461  -6.538
   46    H    LYS   6           H        LYS   6   2.505  -4.273  -7.758
   47    HA   LYS   6           HA       LYS   6   0.470  -5.887  -6.575
   48   1HB   LYS   6          1HB       LYS   6   1.650  -6.373  -8.740
   49   2HB   LYS   6          2HB       LYS   6   3.099  -6.733  -7.822
   50   1HG   LYS   6          1HG       LYS   6   1.932  -8.534  -6.598
   51   2HG   LYS   6          2HG       LYS   6   0.417  -8.126  -7.378
   52   1HD   LYS   6          1HD       LYS   6   1.419  -8.682  -9.607
   53   2HD   LYS   6          2HD       LYS   6   2.929  -9.097  -8.822
   54   1HE   LYS   6          1HE       LYS   6   1.757 -10.884  -7.514
   55   2HE   LYS   6          2HE       LYS   6   0.246 -10.467  -8.296
   56   1HZ   LYS   6          1HZ       LYS   6   1.255 -11.021 -10.407
   57   2HZ   LYS   6          2HZ       LYS   6   2.663 -11.409  -9.678
   58   3HZ   LYS   6          3HZ       LYS   6   1.323 -12.296  -9.390
   59    H    CYS   7           H        CYS   7   0.653  -7.316  -4.792
   60    HA   CYS   7           HA       CYS   7   3.064  -7.227  -3.238
   61   1HB   CYS   7          1HB       CYS   7   1.819  -6.463  -1.178
   62   2HB   CYS   7          2HB       CYS   7   2.240  -5.233  -2.355
   63    H    SER   8           H        SER   8   2.987  -8.911  -1.527
   64    HA   SER   8           HA       SER   8   0.824 -10.789  -1.954
   65   1HB   SER   8          1HB       SER   8   2.234 -12.393  -0.730
   66   2HB   SER   8          2HB       SER   8   3.138 -11.663  -2.041
   67    HG   SER   8           HG       SER   8   4.035 -11.818   0.345
   68    H    GLU   9           H        GLU   9   1.964  -8.315   0.242
   69    HA   GLU   9           HA       GLU   9   0.153  -9.187   2.292
   70   1HB   GLU   9          1HB       GLU   9   3.073  -9.651   2.414
   71   2HB   GLU   9          2HB       GLU   9   2.454  -8.789   3.810
   72   1HG   GLU   9          1HG       GLU   9   1.201 -11.361   2.747
   73   2HG   GLU   9          2HG       GLU   9   2.424 -11.339   4.001
   74    HE2  GLU   9           HE2      GLU   9   0.279 -12.356   4.584
   75    H    SER  10           H        SER  10   0.288  -7.528   4.244
   76    HA   SER  10           HA       SER  10  -0.306  -5.179   2.755
   77   1HB   SER  10          1HB       SER  10  -0.764  -6.032   5.637
   78   2HB   SER  10          2HB       SER  10  -1.179  -4.422   5.082
   79    HG   SER  10           HG       SER  10  -2.988  -5.910   4.955
   80    H    TYR  11           H        TYR  11   2.109  -6.285   5.126
   81    HA   TYR  11           HA       TYR  11   2.936  -3.704   5.948
   82   1HB   TYR  11          1HB       TYR  11   4.644  -5.044   7.082
   83   2HB   TYR  11          2HB       TYR  11   3.207  -6.047   7.056
   84    HD1  TYR  11           HD1      TYR  11   3.189  -8.152   5.939
   85    HD2  TYR  11           HD2      TYR  11   6.477  -5.469   5.381
   86    HE1  TYR  11           HE1      TYR  11   4.504  -9.992   4.779
   87    HE2  TYR  11           HE2      TYR  11   7.780  -7.320   4.223
   88    HH   TYR  11           HH       TYR  11   7.795  -9.376   3.578
   89    H    GLN  12           H        GLN  12   3.371  -5.476   3.019
   90    HA   GLN  12           HA       GLN  12   5.876  -4.344   2.360
   91   1HB   GLN  12          1HB       GLN  12   3.687  -5.554   0.615
   92   2HB   GLN  12          2HB       GLN  12   5.281  -5.115   0.033
   93   1HG   GLN  12          1HG       GLN  12   6.362  -6.757   1.432
   94   2HG   GLN  12          2HG       GLN  12   4.918  -7.002   2.395
   95   1HE2  GLN  12          1HE2      GLN  12   5.946  -9.208   1.546
   96   2HE2  GLN  12          2HE2      GLN  12   5.058  -9.924   0.242
   97    H    CYS  13           H        CYS  13   2.481  -3.325   2.208
   98    HA   CYS  13           HA       CYS  13   3.014  -1.438   0.102
   99   1HB   CYS  13          1HB       CYS  13   0.486  -2.010   1.662
  100   2HB   CYS  13          2HB       CYS  13   0.608  -0.920   0.295
  101    H    PHE  14           H        PHE  14   2.736  -1.596   3.651
  102    HA   PHE  14           HA       PHE  14   1.457   0.825   4.043
  103   1HB   PHE  14          1HB       PHE  14   1.474  -0.467   5.988
  104   2HB   PHE  14          2HB       PHE  14   2.969  -1.261   5.538
  105    HD1  PHE  14           HD1      PHE  14   4.665  -0.999   7.062
  106    HD2  PHE  14           HD2      PHE  14   1.950   2.212   6.493
  107    HE1  PHE  14           HE1      PHE  14   5.897   0.349   8.784
  108    HE2  PHE  14           HE2      PHE  14   3.182   3.560   8.215
  109    HZ   PHE  14           HZ       PHE  14   5.141   2.612   9.339
  110    HA   PRO  15           HA       PRO  15   5.815   2.628   4.575
  111   1HB   PRO  15          1HB       PRO  15   7.965   1.241   3.616
  112   2HB   PRO  15          2HB       PRO  15   7.470   1.198   5.296
  113   1HG   PRO  15          1HG       PRO  15   7.121  -0.865   3.209
  114   2HG   PRO  15          2HG       PRO  15   7.028  -1.039   4.950
  115   1HD   PRO  15          1HD       PRO  15   4.825  -0.935   3.115
  116   2HD   PRO  15          2HD       PRO  15   4.731  -0.992   4.864
  117    H    VAL  16           H        VAL  16   5.312   0.739   1.685
  118    HA   VAL  16           HA       VAL  16   6.526   2.502  -0.090
  119    HB   VAL  16           HB       VAL  16   4.653   0.257  -0.146
  120   1HG1  VAL  16          1HG1      VAL  16   4.472   2.394  -2.292
  121   2HG1  VAL  16          2HG1      VAL  16   3.897   0.721  -2.494
  122   3HG1  VAL  16          3HG1      VAL  16   3.159   1.773  -1.263
  123   1HG2  VAL  16          1HG2      VAL  16   6.030  -0.416  -2.050
  124   2HG2  VAL  16          2HG2      VAL  16   6.808   1.186  -2.074
  125   3HG2  VAL  16          3HG2      VAL  16   7.054   0.097  -0.687
  126    H    CYS  17           H        CYS  17   3.311   2.514   1.499
  127    HA   CYS  17           HA       CYS  17   2.283   4.502  -0.250
  128   1HB   CYS  17          1HB       CYS  17   1.286   3.345   2.356
  129   2HB   CYS  17          2HB       CYS  17   0.422   4.581   1.465
  130    H    LYS  18           H        LYS  18   3.756   4.345   3.035
  131    HA   LYS  18           HA       LYS  18   3.205   7.026   3.702
  132   1HB   LYS  18          1HB       LYS  18   3.648   5.242   5.348
  133   2HB   LYS  18          2HB       LYS  18   5.304   5.125   4.787
  134   1HG   LYS  18          1HG       LYS  18   5.850   7.326   5.569
  135   2HG   LYS  18          2HG       LYS  18   4.165   7.784   5.726
  136   1HD   LYS  18          1HD       LYS  18   5.095   7.335   7.953
  137   2HD   LYS  18          2HD       LYS  18   3.883   6.126   7.577
  138   1HE   LYS  18          1HE       LYS  18   5.890   5.062   8.558
  139   2HE   LYS  18          2HE       LYS  18   5.654   4.516   6.909
  140   1HZ   LYS  18          1HZ       LYS  18   7.370   5.857   6.170
  141   2HZ   LYS  18          2HZ       LYS  18   7.383   6.799   7.504
  142   3HZ   LYS  18          3HZ       LYS  18   7.947   5.268   7.579
  143    H    SER  19           H        SER  19   5.762   5.389   1.853
  144    HA   SER  19           HA       SER  19   7.481   7.634   1.911
  145   1HB   SER  19          1HB       SER  19   8.374   5.372   1.587
  146   2HB   SER  19          2HB       SER  19   7.407   5.151   0.141
  147    HG   SER  19           HG       SER  19   9.568   7.046   0.508
  148    H    ARG  20           H        ARG  20   5.100   6.217  -0.429
  149    HA   ARG  20           HA       ARG  20   6.011   7.975  -2.455
  150   1HB   ARG  20          1HB       ARG  20   5.286   5.742  -3.102
  151   2HB   ARG  20          2HB       ARG  20   3.741   5.938  -2.297
  152   1HG   ARG  20          1HG       ARG  20   3.441   6.224  -4.718
  153   2HG   ARG  20          2HG       ARG  20   3.125   7.747  -3.909
  154   1HD   ARG  20          1HD       ARG  20   5.435   8.528  -4.452
  155   2HD   ARG  20          2HD       ARG  20   5.778   6.997  -5.234
  156    HE   ARG  20           HE       ARG  20   4.554   7.700  -7.102
  157   1HH1  ARG  20          1HH1      ARG  20   3.838   9.810  -4.379
  158   2HH1  ARG  20          2HH1      ARG  20   2.837  10.878  -5.304
  159   1HH2  ARG  20          1HH2      ARG  20   3.234   9.111  -8.325
  160   2HH2  ARG  20          2HH2      ARG  20   2.517  10.495  -7.571
  161    H    PHE  21           H        PHE  21   2.874   7.474  -0.660
  162    HA   PHE  21           HA       PHE  21   1.876   9.884  -1.971
  163   1HB   PHE  21          1HB       PHE  21   0.591   7.571  -0.397
  164   2HB   PHE  21          2HB       PHE  21  -0.331   8.883  -1.103
  165    HD1  PHE  21           HD1      PHE  21   0.776   5.618  -1.605
  166    HD2  PHE  21           HD2      PHE  21   0.145   9.249  -3.706
  167    HE1  PHE  21           HE1      PHE  21   0.613   4.341  -3.760
  168    HE2  PHE  21           HE2      PHE  21  -0.018   7.975  -5.862
  169    HZ   PHE  21           HZ       PHE  21   0.217   5.535  -5.863
  170    H    GLY  22           H        GLY  22   3.023   8.667   1.087
  171   1HA   GLY  22          1HA       GLY  22   3.310   9.773   3.048
  172   2HA   GLY  22          2HA       GLY  22   2.503  11.179   2.384
  173    H    LYS  23           H        LYS  23   1.011   7.946   2.236
  174    HA   LYS  23           HA       LYS  23  -1.225   8.963   3.734
  175   1HB   LYS  23          1HB       LYS  23  -0.706   6.345   2.302
  176   2HB   LYS  23          2HB       LYS  23  -2.191   6.702   3.160
  177   1HG   LYS  23          1HG       LYS  23  -1.340   8.851   1.288
  178   2HG   LYS  23          2HG       LYS  23  -1.696   7.327   0.500
  179   1HD   LYS  23          1HD       LYS  23  -3.936   7.258   1.478
  180   2HD   LYS  23          2HD       LYS  23  -3.588   8.632   2.507
  181   1HE   LYS  23          1HE       LYS  23  -3.288  10.070   0.467
  182   2HE   LYS  23          2HE       LYS  23  -3.674   8.695  -0.548
  183   1HZ   LYS  23          1HZ       LYS  23  -5.820   8.577   0.535
  184   2HZ   LYS  23          2HZ       LYS  23  -5.461   9.868   1.469
  185   3HZ   LYS  23          3HZ       LYS  23  -5.599  10.044  -0.148
  186    H    THR  24           H        THR  24  -2.238   7.195   5.359
  187    HA   THR  24           HA       THR  24  -0.220   7.273   7.447
  188    HB   THR  24           HB       THR  24  -2.111   7.348   8.910
  189    HG1  THR  24           HG1      THR  24  -3.459   6.236   6.550
  190   1HG2  THR  24          1HG2      THR  24  -2.072   9.229   6.998
  191   2HG2  THR  24          2HG2      THR  24  -3.538   8.383   6.449
  192   3HG2  THR  24          3HG2      THR  24  -3.474   9.082   8.085
  193    H    ASN  25           H        ASN  25  -2.041   4.933   5.503
  194    HA   ASN  25           HA       ASN  25  -0.315   2.896   6.431
  195   1HB   ASN  25          1HB       ASN  25  -2.136   3.007   8.243
  196   2HB   ASN  25          2HB       ASN  25  -3.303   2.563   7.013
  197   1HD2  ASN  25          1HD2      ASN  25  -3.703   0.742   8.408
  198   2HD2  ASN  25          2HD2      ASN  25  -2.728  -0.685   8.286
  199    H    GLY  26           H        GLY  26  -0.715   0.847   5.128
  200   1HA   GLY  26          1HA       GLY  26  -2.660   1.144   2.945
  201   2HA   GLY  26          2HA       GLY  26  -0.970   0.904   2.551
  202    H    ARG  27           H        ARG  27  -3.353  -0.869   2.064
  203    HA   ARG  27           HA       ARG  27  -2.296  -3.190   3.447
  204   1HB   ARG  27          1HB       ARG  27  -5.219  -2.347   3.218
  205   2HB   ARG  27          2HB       ARG  27  -4.772  -4.012   3.531
  206   1HG   ARG  27          1HG       ARG  27  -3.528  -3.324   5.569
  207   2HG   ARG  27          2HG       ARG  27  -3.889  -1.641   5.244
  208   1HD   ARG  27          1HD       ARG  27  -6.350  -2.154   5.423
  209   2HD   ARG  27          2HD       ARG  27  -5.962  -3.821   5.801
  210    HE   ARG  27           HE       ARG  27  -4.490  -2.230   7.620
  211   1HH1  ARG  27          1HH1      ARG  27  -7.846  -2.994   6.893
  212   2HH1  ARG  27          2HH1      ARG  27  -8.413  -2.605   8.482
  213   1HH2  ARG  27          1HH2      ARG  27  -5.238  -1.712   9.718
  214   2HH2  ARG  27          2HH2      ARG  27  -6.915  -1.899  10.109
  215    H    CYS  28           H        CYS  28  -2.820  -5.276   2.281
  216    HA   CYS  28           HA       CYS  28  -2.552  -4.703  -0.540
  217   1HB   CYS  28          1HB       CYS  28  -0.958  -6.168   0.792
  218   2HB   CYS  28          2HB       CYS  28  -2.231  -7.370   0.835
  219    H    VAL  29           H        VAL  29  -4.634  -4.371  -1.386
  220    HA   VAL  29           HA       VAL  29  -6.716  -6.251  -0.596
  221    HB   VAL  29           HB       VAL  29  -6.768  -3.662  -2.159
  222   1HG1  VAL  29          1HG1      VAL  29  -9.258  -3.833  -1.855
  223   2HG1  VAL  29          2HG1      VAL  29  -8.563  -5.035  -2.968
  224   3HG1  VAL  29          3HG1      VAL  29  -9.020  -5.512  -1.316
  225   1HG2  VAL  29          1HG2      VAL  29  -6.268  -3.300   0.189
  226   2HG2  VAL  29          2HG2      VAL  29  -7.938  -2.787  -0.150
  227   3HG2  VAL  29          3HG2      VAL  29  -7.633  -4.335   0.674
  228    H    ASN  30           H        ASN  30  -6.819  -8.111  -1.749
  229    HA   ASN  30           HA       ASN  30  -7.011  -9.453  -3.440
  230   1HB   ASN  30          1HB       ASN  30  -7.461  -6.957  -5.159
  231   2HB   ASN  30          2HB       ASN  30  -7.918  -8.591  -5.595
  232   1HD2  ASN  30          1HD2      ASN  30  -9.704  -6.478  -5.518
  233   2HD2  ASN  30          2HD2      ASN  30 -10.865  -6.710  -4.254
  234    H    GLY  31           H        GLY  31  -4.351  -8.296  -2.771
  235   1HA   GLY  31          1HA       GLY  31  -2.329  -9.044  -3.536
  236   2HA   GLY  31          2HA       GLY  31  -3.030  -9.394  -5.104
  237    H    PHE  32           H        PHE  32  -3.962  -6.265  -4.023
  238    HA   PHE  32           HA       PHE  32  -1.611  -5.017  -5.223
  239   1HB   PHE  32          1HB       PHE  32  -4.587  -4.586  -5.879
  240   2HB   PHE  32          2HB       PHE  32  -3.324  -3.503  -6.434
  241    HD1  PHE  32           HD1      PHE  32  -5.246  -6.326  -7.253
  242    HD2  PHE  32           HD2      PHE  32  -1.380  -4.661  -7.786
  243    HE1  PHE  32           HE1      PHE  32  -4.907  -7.762  -9.283
  244    HE2  PHE  32           HE2      PHE  32  -1.040  -6.098  -9.816
  245    HZ   PHE  32           HZ       PHE  32  -2.808  -7.631 -10.541
  246    H    CYS  33           H        CYS  33  -1.236  -2.822  -4.514
  247    HA   CYS  33           HA       CYS  33  -1.897  -2.673  -1.775
  248   1HB   CYS  33          1HB       CYS  33  -0.396  -0.765  -3.579
  249   2HB   CYS  33          2HB       CYS  33  -0.549  -0.568  -1.845
  250    H    ASP  34           H        ASP  34  -3.350  -1.244  -0.714
  251    HA   ASP  34           HA       ASP  34  -4.435   0.869  -2.385
  252   1HB   ASP  34          1HB       ASP  34  -6.129  -0.987  -2.053
  253   2HB   ASP  34          2HB       ASP  34  -6.020  -0.734  -0.322
  254    HD2  ASP  34           HD2      ASP  34  -8.235  -0.642  -1.292
  255    H    CYS  35           H        CYS  35  -4.346   2.896  -1.302
  256    HA   CYS  35           HA       CYS  35  -3.089   2.696   1.334
  257   1HB   CYS  35          1HB       CYS  35  -2.750   4.905  -0.701
  258   2HB   CYS  35          2HB       CYS  35  -1.873   4.707   0.803
  259    H    PHE  36           H        PHE  36  -3.762   4.218   2.972
  260    HA   PHE  36           HA       PHE  36  -5.790   6.138   2.336
  261   1HB   PHE  36          1HB       PHE  36  -7.406   5.027   3.981
  262   2HB   PHE  36          2HB       PHE  36  -7.153   4.085   2.525
  263    HD1  PHE  36           HD1      PHE  36  -6.601   4.249   6.121
  264    HD2  PHE  36           HD2      PHE  36  -5.832   2.020   2.593
  265    HE1  PHE  36           HE1      PHE  36  -5.923   2.275   7.516
  266    HE2  PHE  36           HE2      PHE  36  -5.154   0.046   3.987
  267    HZ   PHE  36           HZ       PHE  36  -5.207   0.197   6.432
  Start of MODEL   19
    1   1H    ARG   1          1H        ARG   1  -7.990   5.612  -1.451
    2   2H    ARG   1          2H        ARG   1  -8.280   4.008  -1.158
    3   3H    ARG   1          3H        ARG   1  -6.724   4.568  -1.230
    4    HA   ARG   1           HA       ARG   1  -8.665   4.201  -3.308
    5   1HB   ARG   1          1HB       ARG   1  -6.949   5.343  -4.859
    6   2HB   ARG   1          2HB       ARG   1  -7.853   6.409  -3.801
    7   1HG   ARG   1          1HG       ARG   1  -5.985   6.537  -2.220
    8   2HG   ARG   1          2HG       ARG   1  -5.099   5.299  -3.091
    9   1HD   ARG   1          1HD       ARG   1  -5.935   7.902  -4.439
   10   2HD   ARG   1          2HD       ARG   1  -4.440   7.779  -3.532
   11    HE   ARG   1           HE       ARG   1  -5.029   6.515  -6.125
   12   1HH1  ARG   1          1HH1      ARG   1  -3.024   6.287  -3.247
   13   2HH1  ARG   1          2HH1      ARG   1  -1.640   5.688  -4.098
   14   1HH2  ARG   1          1HH2      ARG   1  -3.214   5.688  -7.250
   15   2HH2  ARG   1          2HH2      ARG   1  -1.773   5.279  -6.380
   16    HA   PRO   2           HA       PRO   2  -5.885   0.859  -4.166
   17   1HB   PRO   2          1HB       PRO   2  -6.661   0.234  -6.711
   18   2HB   PRO   2          2HB       PRO   2  -7.489  -0.358  -5.284
   19   1HG   PRO   2          1HG       PRO   2  -8.327   1.762  -7.165
   20   2HG   PRO   2          2HG       PRO   2  -9.299   0.872  -6.010
   21   1HD   PRO   2          1HD       PRO   2  -8.343   3.562  -5.737
   22   2HD   PRO   2          2HD       PRO   2  -9.215   2.632  -4.534
   23    H    THR   3           H        THR   3  -4.051   0.169  -5.517
   24    HA   THR   3           HA       THR   3  -3.230   2.317  -7.342
   25    HB   THR   3           HB       THR   3  -1.015   2.330  -6.409
   26    HG1  THR   3           HG1      THR   3  -2.046  -0.010  -4.964
   27   1HG2  THR   3          1HG2      THR   3  -2.768   3.347  -4.820
   28   2HG2  THR   3          2HG2      THR   3  -2.761   1.790  -3.957
   29   3HG2  THR   3          3HG2      THR   3  -1.279   2.774  -4.031
   30    H    ASP   4           H        ASP   4  -0.813   1.056  -8.162
   31    HA   ASP   4           HA       ASP   4  -2.009  -1.238  -9.506
   32   1HB   ASP   4          1HB       ASP   4  -0.487  -0.750 -11.383
   33   2HB   ASP   4          2HB       ASP   4  -1.455   0.662 -11.006
   34    HD2  ASP   4           HD2      ASP   4   1.495   2.205  -9.519
   35    H    ILE   5           H        ILE   5  -0.102  -0.556  -6.950
   36    HA   ILE   5           HA       ILE   5   2.336  -1.872  -7.707
   37    HB   ILE   5           HB       ILE   5   1.328  -0.727  -5.101
   38   1HG1  ILE   5          1HG1      ILE   5   3.461   0.333  -6.971
   39   2HG1  ILE   5          2HG1      ILE   5   1.784   0.840  -7.037
   40   1HG2  ILE   5          1HG2      ILE   5   2.896  -2.555  -4.666
   41   2HG2  ILE   5          2HG2      ILE   5   4.082  -1.808  -5.762
   42   3HG2  ILE   5          3HG2      ILE   5   3.608  -0.975  -4.262
   43   1HD1  ILE   5          1HD1      ILE   5   2.887   2.452  -5.650
   44   2HD1  ILE   5          2HD1      ILE   5   1.991   1.401  -4.526
   45   3HD1  ILE   5          3HD1      ILE   5   3.746   1.188  -4.736
   46    H    LYS   6           H        LYS   6   2.673  -4.025  -7.677
   47    HA   LYS   6           HA       LYS   6   0.566  -5.692  -6.676
   48   1HB   LYS   6          1HB       LYS   6   1.822  -6.036  -8.844
   49   2HB   LYS   6          2HB       LYS   6   3.214  -6.515  -7.894
   50   1HG   LYS   6          1HG       LYS   6   2.203  -8.592  -8.273
   51   2HG   LYS   6          2HG       LYS   6   1.521  -8.174  -6.714
   52   1HD   LYS   6          1HD       LYS   6  -0.458  -7.131  -7.985
   53   2HD   LYS   6          2HD       LYS   6   0.197  -7.851  -9.442
   54   1HE   LYS   6          1HE       LYS   6  -0.505  -9.437  -6.926
   55   2HE   LYS   6          2HE       LYS   6  -1.581  -9.257  -8.298
   56   1HZ   LYS   6          1HZ       LYS   6   0.246 -10.201  -9.660
   57   2HZ   LYS   6          2HZ       LYS   6   1.053 -10.547  -8.283
   58   3HZ   LYS   6          3HZ       LYS   6  -0.394 -11.243  -8.577
   59    H    CYS   7           H        CYS   7   0.607  -7.070  -4.897
   60    HA   CYS   7           HA       CYS   7   3.029  -7.211  -3.345
   61   1HB   CYS   7          1HB       CYS   7   1.846  -6.466  -1.261
   62   2HB   CYS   7          2HB       CYS   7   2.270  -5.204  -2.400
   63    H    SER   8           H        SER   8   2.845  -8.964  -1.698
   64    HA   SER   8           HA       SER   8   0.576 -10.690  -2.169
   65   1HB   SER   8          1HB       SER   8   1.820 -12.352  -0.856
   66   2HB   SER   8          2HB       SER   8   2.843 -11.690  -2.115
   67    HG   SER   8           HG       SER   8   3.934 -10.403  -0.590
   68    H    GLU   9           H        GLU   9   1.764  -8.260   0.097
   69    HA   GLU   9           HA       GLU   9   0.000  -9.194   2.164
   70   1HB   GLU   9          1HB       GLU   9   3.009  -9.488   2.275
   71   2HB   GLU   9          2HB       GLU   9   2.115  -9.204   3.754
   72   1HG   GLU   9          1HG       GLU   9   0.830 -11.221   3.499
   73   2HG   GLU   9          2HG       GLU   9   1.291 -11.402   1.818
   74    HE2  GLU   9           HE2      GLU   9   3.436 -11.692   1.444
   75    H    SER  10           H        SER  10   0.289  -7.684   4.217
   76    HA   SER  10           HA       SER  10  -0.322  -5.244   2.905
   77   1HB   SER  10          1HB       SER  10  -0.565  -6.150   5.806
   78   2HB   SER  10          2HB       SER  10  -1.105  -4.580   5.247
   79    HG   SER  10           HG       SER  10  -2.042  -7.140   4.260
   80    H    TYR  11           H        TYR  11   2.234  -6.528   5.018
   81    HA   TYR  11           HA       TYR  11   3.136  -4.015   5.971
   82   1HB   TYR  11          1HB       TYR  11   4.860  -5.443   6.937
   83   2HB   TYR  11          2HB       TYR  11   3.434  -6.460   6.870
   84    HD1  TYR  11           HD1      TYR  11   3.383  -8.441   5.531
   85    HD2  TYR  11           HD2      TYR  11   6.662  -5.714   5.195
   86    HE1  TYR  11           HE1      TYR  11   4.679 -10.157   4.176
   87    HE2  TYR  11           HE2      TYR  11   7.948  -7.440   3.841
   88    HH   TYR  11           HH       TYR  11   7.934  -9.404   2.956
   89    H    GLN  12           H        GLN  12   3.460  -5.682   2.935
   90    HA   GLN  12           HA       GLN  12   5.887  -4.466   2.185
   91   1HB   GLN  12          1HB       GLN  12   3.600  -5.573   0.497
   92   2HB   GLN  12          2HB       GLN  12   5.166  -5.111  -0.138
   93   1HG   GLN  12          1HG       GLN  12   6.259  -6.778   1.398
   94   2HG   GLN  12          2HG       GLN  12   4.679  -7.259   1.982
   95   1HE2  GLN  12          1HE2      GLN  12   6.914  -7.273  -0.682
   96   2HE2  GLN  12          2HE2      GLN  12   6.145  -8.488  -1.649
   97    H    CYS  13           H        CYS  13   2.471  -3.471   2.263
   98    HA   CYS  13           HA       CYS  13   2.885  -1.532   0.178
   99   1HB   CYS  13          1HB       CYS  13   0.427  -2.196   1.811
  100   2HB   CYS  13          2HB       CYS  13   0.474  -1.076   0.464
  101    H    PHE  14           H        PHE  14   2.587  -1.745   3.749
  102    HA   PHE  14           HA       PHE  14   1.307   0.682   4.112
  103   1HB   PHE  14          1HB       PHE  14   1.246  -0.626   6.047
  104   2HB   PHE  14          2HB       PHE  14   2.750  -1.428   5.645
  105    HD1  PHE  14           HD1      PHE  14   4.401  -1.186   7.218
  106    HD2  PHE  14           HD2      PHE  14   1.714   2.039   6.601
  107    HE1  PHE  14           HE1      PHE  14   5.582   0.139   8.994
  108    HE2  PHE  14           HE2      PHE  14   2.895   3.363   8.377
  109    HZ   PHE  14           HZ       PHE  14   4.815   2.398   9.552
  110    HA   PRO  15           HA       PRO  15   5.656   2.443   4.832
  111   1HB   PRO  15          1HB       PRO  15   7.832   1.053   3.935
  112   2HB   PRO  15          2HB       PRO  15   7.270   0.988   5.594
  113   1HG   PRO  15          1HG       PRO  15   6.988  -1.038   3.460
  114   2HG   PRO  15          2HG       PRO  15   6.825  -1.239   5.194
  115   1HD   PRO  15          1HD       PRO  15   4.697  -1.088   3.277
  116   2HD   PRO  15          2HD       PRO  15   4.533  -1.173   5.020
  117    H    VAL  16           H        VAL  16   5.070   0.675   1.912
  118    HA   VAL  16           HA       VAL  16   6.559   2.415   0.259
  119    HB   VAL  16           HB       VAL  16   4.948   0.051   0.046
  120   1HG1  VAL  16          1HG1      VAL  16   4.396   2.176  -2.052
  121   2HG1  VAL  16          2HG1      VAL  16   3.983   0.452  -2.207
  122   3HG1  VAL  16          3HG1      VAL  16   3.216   1.440  -0.941
  123   1HG2  VAL  16          1HG2      VAL  16   7.312   0.242  -0.592
  124   2HG2  VAL  16          2HG2      VAL  16   6.318  -0.319  -1.958
  125   3HG2  VAL  16          3HG2      VAL  16   6.875   1.371  -1.896
  126    H    CYS  17           H        CYS  17   3.238   2.400   1.573
  127    HA   CYS  17           HA       CYS  17   2.292   4.342  -0.260
  128   1HB   CYS  17          1HB       CYS  17   1.204   3.222   2.321
  129   2HB   CYS  17          2HB       CYS  17   0.382   4.487   1.428
  130    H    LYS  18           H        LYS  18   3.688   4.287   3.054
  131    HA   LYS  18           HA       LYS  18   3.106   7.006   3.599
  132   1HB   LYS  18          1HB       LYS  18   3.441   5.215   5.310
  133   2HB   LYS  18          2HB       LYS  18   5.144   5.178   4.902
  134   1HG   LYS  18          1HG       LYS  18   5.390   7.557   5.533
  135   2HG   LYS  18          2HG       LYS  18   3.668   7.686   5.831
  136   1HD   LYS  18          1HD       LYS  18   3.913   5.859   7.596
  137   2HD   LYS  18          2HD       LYS  18   5.648   5.941   7.367
  138   1HE   LYS  18          1HE       LYS  18   3.918   8.334   8.153
  139   2HE   LYS  18          2HE       LYS  18   4.794   7.343   9.301
  140   1HZ   LYS  18          1HZ       LYS  18   5.931   8.994   7.161
  141   2HZ   LYS  18          2HZ       LYS  18   6.148   9.156   8.772
  142   3HZ   LYS  18          3HZ       LYS  18   6.813   7.892   7.981
  143    H    SER  19           H        SER  19   5.777   5.231   2.040
  144    HA   SER  19           HA       SER  19   7.535   7.433   2.111
  145   1HB   SER  19          1HB       SER  19   8.352   5.118   1.914
  146   2HB   SER  19          2HB       SER  19   7.508   4.914   0.391
  147    HG   SER  19           HG       SER  19   8.928   6.308  -0.640
  148    H    ARG  20           H        ARG  20   5.252   6.023  -0.325
  149    HA   ARG  20           HA       ARG  20   6.347   7.698  -2.340
  150   1HB   ARG  20          1HB       ARG  20   5.597   5.404  -2.880
  151   2HB   ARG  20          2HB       ARG  20   3.971   5.769  -2.337
  152   1HG   ARG  20          1HG       ARG  20   4.047   5.898  -4.784
  153   2HG   ARG  20          2HG       ARG  20   3.762   7.500  -4.135
  154   1HD   ARG  20          1HD       ARG  20   6.638   6.742  -4.529
  155   2HD   ARG  20          2HD       ARG  20   5.695   6.953  -5.991
  156    HE   ARG  20           HE       ARG  20   6.561   9.052  -4.193
  157   1HH1  ARG  20          1HH1      ARG  20   4.006   8.140  -6.433
  158   2HH1  ARG  20          2HH1      ARG  20   3.497   9.773  -6.716
  159   1HH2  ARG  20          1HH2      ARG  20   5.856  11.201  -4.525
  160   2HH2  ARG  20          2HH2      ARG  20   4.567  11.525  -5.635
  161    H    PHE  21           H        PHE  21   3.041   7.258  -0.842
  162    HA   PHE  21           HA       PHE  21   2.221   9.649  -2.296
  163   1HB   PHE  21          1HB       PHE  21   0.730   7.396  -0.821
  164   2HB   PHE  21          2HB       PHE  21  -0.077   8.681  -1.697
  165    HD1  PHE  21           HD1      PHE  21   0.580   8.914  -4.223
  166    HD2  PHE  21           HD2      PHE  21   1.206   5.409  -1.916
  167    HE1  PHE  21           HE1      PHE  21   0.684   7.549  -6.326
  168    HE2  PHE  21           HE2      PHE  21   1.311   4.043  -4.019
  169    HZ   PHE  21           HZ       PHE  21   1.049   5.130  -6.199
  170    H    GLY  22           H        GLY  22   3.242   8.677   0.815
  171   1HA   GLY  22          1HA       GLY  22   3.406   9.903   2.707
  172   2HA   GLY  22          2HA       GLY  22   2.590  11.233   1.909
  173    H    LYS  23           H        LYS  23   1.125   7.995   1.944
  174    HA   LYS  23           HA       LYS  23  -1.148   9.097   3.317
  175   1HB   LYS  23          1HB       LYS  23  -0.591   6.401   2.053
  176   2HB   LYS  23          2HB       LYS  23  -2.098   6.802   2.851
  177   1HG   LYS  23          1HG       LYS  23  -1.219   8.856   0.896
  178   2HG   LYS  23          2HG       LYS  23  -1.515   7.287   0.171
  179   1HD   LYS  23          1HD       LYS  23  -3.786   7.218   1.122
  180   2HD   LYS  23          2HD       LYS  23  -3.498   8.694   2.020
  181   1HE   LYS  23          1HE       LYS  23  -3.195   9.944  -0.127
  182   2HE   LYS  23          2HE       LYS  23  -3.471   8.467  -1.029
  183   1HZ   LYS  23          1HZ       LYS  23  -5.401   9.721   0.800
  184   2HZ   LYS  23          2HZ       LYS  23  -5.469   9.760  -0.831
  185   3HZ   LYS  23          3HZ       LYS  23  -5.658   8.344  -0.039
  186    H    THR  24           H        THR  24  -2.197   7.743   5.128
  187    HA   THR  24           HA       THR  24  -0.225   7.774   7.205
  188    HB   THR  24           HB       THR  24  -2.396   7.224   8.552
  189    HG1  THR  24           HG1      THR  24  -4.278   7.294   7.207
  190   1HG2  THR  24          1HG2      THR  24  -1.591   9.602   8.187
  191   2HG2  THR  24          2HG2      THR  24  -2.506   9.632   6.660
  192   3HG2  THR  24          3HG2      THR  24  -3.365   9.469   8.210
  193    H    ASN  25           H        ASN  25  -2.028   5.293   5.381
  194    HA   ASN  25           HA       ASN  25  -0.213   3.344   6.354
  195   1HB   ASN  25          1HB       ASN  25  -2.049   3.515   8.168
  196   2HB   ASN  25          2HB       ASN  25  -3.182   2.927   6.967
  197   1HD2  ASN  25          1HD2      ASN  25  -0.240   2.205   8.753
  198   2HD2  ASN  25          2HD2      ASN  25  -0.324   0.476   8.660
  199    H    GLY  26           H        GLY  26  -0.755   1.142   5.249
  200   1HA   GLY  26          1HA       GLY  26  -2.698   1.316   3.074
  201   2HA   GLY  26          2HA       GLY  26  -1.016   1.117   2.625
  202    H    ARG  27           H        ARG  27  -3.037  -0.828   2.042
  203    HA   ARG  27           HA       ARG  27  -1.839  -3.042   3.393
  204   1HB   ARG  27          1HB       ARG  27  -4.082  -4.057   3.986
  205   2HB   ARG  27          2HB       ARG  27  -3.702  -2.624   4.919
  206   1HG   ARG  27          1HG       ARG  27  -5.099  -1.237   3.392
  207   2HG   ARG  27          2HG       ARG  27  -5.448  -2.646   2.411
  208   1HD   ARG  27          1HD       ARG  27  -7.338  -2.318   3.899
  209   2HD   ARG  27          2HD       ARG  27  -6.486  -3.748   4.450
  210    HE   ARG  27           HE       ARG  27  -5.414  -1.453   5.802
  211   1HH1  ARG  27          1HH1      ARG  27  -8.364  -3.367   5.682
  212   2HH1  ARG  27          2HH1      ARG  27  -8.765  -3.088   7.343
  213   1HH2  ARG  27          1HH2      ARG  27  -5.934  -1.097   7.999
  214   2HH2  ARG  27          2HH2      ARG  27  -7.388  -1.766   8.663
  215    H    CYS  28           H        CYS  28  -2.676  -5.194   2.346
  216    HA   CYS  28           HA       CYS  28  -2.560  -4.590  -0.484
  217   1HB   CYS  28          1HB       CYS  28  -0.932  -6.122   0.784
  218   2HB   CYS  28          2HB       CYS  28  -2.227  -7.303   0.784
  219    H    VAL  29           H        VAL  29  -4.546  -4.450  -1.486
  220    HA   VAL  29           HA       VAL  29  -6.641  -6.275  -0.553
  221    HB   VAL  29           HB       VAL  29  -6.756  -3.704  -2.143
  222   1HG1  VAL  29          1HG1      VAL  29  -9.241  -3.921  -1.813
  223   2HG1  VAL  29          2HG1      VAL  29  -8.531  -5.117  -2.923
  224   3HG1  VAL  29          3HG1      VAL  29  -8.962  -5.591  -1.263
  225   1HG2  VAL  29          1HG2      VAL  29  -7.619  -4.352   0.697
  226   2HG2  VAL  29          2HG2      VAL  29  -6.237  -3.339   0.214
  227   3HG2  VAL  29          3HG2      VAL  29  -7.898  -2.808  -0.144
  228    H    ASN  30           H        ASN  30  -6.616  -8.168  -1.676
  229    HA   ASN  30           HA       ASN  30  -6.866  -9.519  -3.351
  230   1HB   ASN  30          1HB       ASN  30  -7.540  -7.042  -5.024
  231   2HB   ASN  30          2HB       ASN  30  -7.944  -8.693  -5.445
  232   1HD2  ASN  30          1HD2      ASN  30  -9.830  -6.689  -5.246
  233   2HD2  ASN  30          2HD2      ASN  30 -10.894  -6.979  -3.910
  234    H    GLY  31           H        GLY  31  -4.214  -8.238  -2.866
  235   1HA   GLY  31          1HA       GLY  31  -2.270  -9.088  -3.782
  236   2HA   GLY  31          2HA       GLY  31  -3.056  -9.276  -5.336
  237    H    PHE  32           H        PHE  32  -4.000  -6.250  -4.232
  238    HA   PHE  32           HA       PHE  32  -1.615  -4.944  -5.320
  239   1HB   PHE  32          1HB       PHE  32  -4.587  -4.690  -6.024
  240   2HB   PHE  32          2HB       PHE  32  -3.496  -3.354  -6.336
  241    HD1  PHE  32           HD1      PHE  32  -4.643  -6.584  -7.455
  242    HD2  PHE  32           HD2      PHE  32  -1.600  -3.667  -7.941
  243    HE1  PHE  32           HE1      PHE  32  -3.999  -7.621  -9.649
  244    HE2  PHE  32           HE2      PHE  32  -0.957  -4.704 -10.135
  245    HZ   PHE  32           HZ       PHE  32  -2.165  -6.668 -10.962
  246    H    CYS  33           H        CYS  33  -1.219  -2.796  -4.507
  247    HA   CYS  33           HA       CYS  33  -1.898  -2.774  -1.766
  248   1HB   CYS  33          1HB       CYS  33  -0.309  -0.860  -3.481
  249   2HB   CYS  33          2HB       CYS  33  -0.514  -0.667  -1.751
  250    H    ASP  34           H        ASP  34  -3.243  -1.282  -0.629
  251    HA   ASP  34           HA       ASP  34  -4.550   0.703  -2.311
  252   1HB   ASP  34          1HB       ASP  34  -6.115  -1.174  -1.760
  253   2HB   ASP  34          2HB       ASP  34  -5.817  -0.918  -0.053
  254    HD2  ASP  34           HD2      ASP  34  -6.506   0.881   0.818
  255    H    CYS  35           H        CYS  35  -4.225   2.776  -1.448
  256    HA   CYS  35           HA       CYS  35  -2.967   2.803   1.189
  257   1HB   CYS  35          1HB       CYS  35  -2.737   4.857  -1.018
  258   2HB   CYS  35          2HB       CYS  35  -1.844   4.831   0.489
  259    H    PHE  36           H        PHE  36  -3.731   4.282   2.783
  260    HA   PHE  36           HA       PHE  36  -5.755   6.188   2.042
  261   1HB   PHE  36          1HB       PHE  36  -7.415   5.190   3.612
  262   2HB   PHE  36          2HB       PHE  36  -6.974   3.995   2.409
  263    HD1  PHE  36           HD1      PHE  36  -5.423   2.145   3.020
  264    HD2  PHE  36           HD2      PHE  36  -6.926   4.852   5.922
  265    HE1  PHE  36           HE1      PHE  36  -4.786   0.543   4.844
  266    HE2  PHE  36           HE2      PHE  36  -6.288   3.251   7.746
  267    HZ   PHE  36           HZ       PHE  36  -5.226   1.116   7.186
  Start of MODEL   20
    1   1H    ARG   1          1H        ARG   1  -8.139   5.136  -1.026
    2   2H    ARG   1          2H        ARG   1  -7.282   3.723  -0.925
    3   3H    ARG   1          3H        ARG   1  -6.514   5.127  -1.347
    4    HA   ARG   1           HA       ARG   1  -8.701   4.028  -2.850
    5   1HB   ARG   1          1HB       ARG   1  -6.506   6.062  -3.403
    6   2HB   ARG   1          2HB       ARG   1  -7.361   5.301  -4.730
    7   1HG   ARG   1          1HG       ARG   1  -8.918   6.575  -2.459
    8   2HG   ARG   1          2HG       ARG   1  -8.263   7.577  -3.739
    9   1HD   ARG   1          1HD       ARG   1 -10.069   5.156  -4.224
   10   2HD   ARG   1          2HD       ARG   1 -10.648   6.808  -4.147
   11    HE   ARG   1           HE       ARG   1  -8.565   6.861  -6.026
   12   1HH1  ARG   1          1HH1      ARG   1 -11.730   5.365  -5.692
   13   2HH1  ARG   1          2HH1      ARG   1 -11.916   5.078  -7.390
   14   1HH2  ARG   1          1HH2      ARG   1  -8.808   6.482  -8.270
   15   2HH2  ARG   1          2HH2      ARG   1 -10.268   5.771  -8.871
   16    HA   PRO   2           HA       PRO   2  -6.089   0.810  -4.160
   17   1HB   PRO   2          1HB       PRO   2  -7.221   0.103  -6.544
   18   2HB   PRO   2          2HB       PRO   2  -7.866  -0.394  -4.992
   19   1HG   PRO   2          1HG       PRO   2  -8.884   1.671  -6.847
   20   2HG   PRO   2          2HG       PRO   2  -9.718   0.871  -5.530
   21   1HD   PRO   2          1HD       PRO   2  -8.648   3.533  -5.520
   22   2HD   PRO   2          2HD       PRO   2  -9.380   2.691  -4.168
   23    H    THR   3           H        THR   3  -4.324   0.116  -5.458
   24    HA   THR   3           HA       THR   3  -3.717   2.028  -7.609
   25    HB   THR   3           HB       THR   3  -1.447   2.192  -6.856
   26    HG1  THR   3           HG1      THR   3  -2.277  -0.012  -5.101
   27   1HG2  THR   3          1HG2      THR   3  -2.987   1.856  -4.233
   28   2HG2  THR   3          2HG2      THR   3  -1.529   2.839  -4.505
   29   3HG2  THR   3          3HG2      THR   3  -3.079   3.329  -5.231
   30    H    ASP   4           H        ASP   4  -1.319   0.682  -8.425
   31    HA   ASP   4           HA       ASP   4  -2.404  -1.939  -9.099
   32   1HB   ASP   4          1HB       ASP   4  -1.340  -1.750 -11.314
   33   2HB   ASP   4          2HB       ASP   4  -2.468  -0.432 -11.068
   34    HD2  ASP   4           HD2      ASP   4  -1.634   1.467 -10.482
   35    H    ILE   5           H        ILE   5  -0.428  -0.705  -7.010
   36    HA   ILE   5           HA       ILE   5   2.099  -1.837  -7.783
   37    HB   ILE   5           HB       ILE   5   1.092  -0.616  -5.212
   38   1HG1  ILE   5          1HG1      ILE   5   3.020   0.537  -7.241
   39   2HG1  ILE   5          2HG1      ILE   5   1.295   0.847  -7.279
   40   1HG2  ILE   5          1HG2      ILE   5   2.867  -2.244  -4.760
   41   2HG2  ILE   5          2HG2      ILE   5   3.913  -1.439  -5.955
   42   3HG2  ILE   5          3HG2      ILE   5   3.417  -0.574  -4.480
   43   1HD1  ILE   5          1HD1      ILE   5   1.485   1.628  -4.842
   44   2HD1  ILE   5          2HD1      ILE   5   3.251   1.553  -5.053
   45   3HD1  ILE   5          3HD1      ILE   5   2.282   2.666  -6.050
   46    H    LYS   6           H        LYS   6   2.514  -3.978  -7.734
   47    HA   LYS   6           HA       LYS   6   0.543  -5.701  -6.626
   48   1HB   LYS   6          1HB       LYS   6   1.815  -6.076  -8.766
   49   2HB   LYS   6          2HB       LYS   6   3.242  -6.413  -7.806
   50   1HG   LYS   6          1HG       LYS   6   2.071  -8.278  -6.662
   51   2HG   LYS   6          2HG       LYS   6   0.594  -7.912  -7.531
   52   1HD   LYS   6          1HD       LYS   6   1.878  -8.310  -9.709
   53   2HD   LYS   6          2HD       LYS   6   3.228  -8.868  -8.741
   54   1HE   LYS   6          1HE       LYS   6   0.420 -10.072  -8.638
   55   2HE   LYS   6          2HE       LYS   6   1.747 -10.739  -9.567
   56   1HZ   LYS   6          1HZ       LYS   6   2.983 -10.816  -7.420
   57   2HZ   LYS   6          2HZ       LYS   6   1.584 -10.468  -6.653
   58   3HZ   LYS   6          3HZ       LYS   6   1.716 -11.842  -7.525
   59    H    CYS   7           H        CYS   7   0.722  -7.157  -4.870
   60    HA   CYS   7           HA       CYS   7   3.091  -7.051  -3.256
   61   1HB   CYS   7          1HB       CYS   7   1.786  -6.360  -1.207
   62   2HB   CYS   7          2HB       CYS   7   2.207  -5.095  -2.344
   63    H    SER   8           H        SER   8   3.039  -8.800  -1.631
   64    HA   SER   8           HA       SER   8   0.916 -10.702  -2.119
   65   1HB   SER   8          1HB       SER   8   2.347 -12.238  -0.729
   66   2HB   SER   8          2HB       SER   8   3.152 -11.634  -2.163
   67    HG   SER   8           HG       SER   8   3.556 -10.881   0.582
   68    H    GLU   9           H        GLU   9   2.004  -8.278   0.187
   69    HA   GLU   9           HA       GLU   9   0.094  -9.181   2.131
   70   1HB   GLU   9          1HB       GLU   9   3.087  -9.379   2.514
   71   2HB   GLU   9          2HB       GLU   9   2.067  -9.034   3.897
   72   1HG   GLU   9          1HG       GLU   9   1.692 -11.418   2.021
   73   2HG   GLU   9          2HG       GLU   9   2.500 -11.494   3.575
   74    HE2  GLU   9           HE2      GLU   9  -0.361 -11.485   2.005
   75    H    SER  10           H        SER  10   0.212  -7.584   4.155
   76    HA   SER  10           HA       SER  10  -0.334  -5.186   2.727
   77   1HB   SER  10          1HB       SER  10  -0.846  -6.107   5.580
   78   2HB   SER  10          2HB       SER  10  -1.254  -4.487   5.047
   79    HG   SER  10           HG       SER  10  -2.249  -6.965   3.921
   80    H    TYR  11           H        TYR  11   2.028  -6.388   5.104
   81    HA   TYR  11           HA       TYR  11   2.883  -3.844   6.007
   82   1HB   TYR  11          1HB       TYR  11   4.569  -5.242   7.109
   83   2HB   TYR  11          2HB       TYR  11   3.115  -6.218   7.051
   84    HD1  TYR  11           HD1      TYR  11   6.405  -5.655   5.412
   85    HD2  TYR  11           HD2      TYR  11   3.062  -8.287   5.867
   86    HE1  TYR  11           HE1      TYR  11   7.680  -7.495   4.207
   87    HE2  TYR  11           HE2      TYR  11   4.350 -10.118   4.662
   88    HH   TYR  11           HH       TYR  11   6.183 -10.677   3.679
   89    H    GLN  12           H        GLN  12   3.333  -5.550   3.037
   90    HA   GLN  12           HA       GLN  12   5.858  -4.410   2.445
   91   1HB   GLN  12          1HB       GLN  12   3.721  -5.620   0.636
   92   2HB   GLN  12          2HB       GLN  12   5.333  -5.180   0.107
   93   1HG   GLN  12          1HG       GLN  12   6.358  -6.804   1.612
   94   2HG   GLN  12          2HG       GLN  12   4.829  -7.117   2.409
   95   1HE2  GLN  12          1HE2      GLN  12   6.269  -9.173   1.422
   96   2HE2  GLN  12          2HE2      GLN  12   5.492  -9.889   0.049
   97    H    CYS  13           H        CYS  13   2.473  -3.398   2.269
   98    HA   CYS  13           HA       CYS  13   3.000  -1.511   0.163
   99   1HB   CYS  13          1HB       CYS  13   0.486  -2.107   1.737
  100   2HB   CYS  13          2HB       CYS  13   0.587  -0.972   0.407
  101    H    PHE  14           H        PHE  14   2.601  -1.643   3.728
  102    HA   PHE  14           HA       PHE  14   1.368   0.817   4.008
  103   1HB   PHE  14          1HB       PHE  14   1.228  -0.448   5.967
  104   2HB   PHE  14          2HB       PHE  14   2.725  -1.288   5.622
  105    HD1  PHE  14           HD1      PHE  14   4.352  -1.037   7.222
  106    HD2  PHE  14           HD2      PHE  14   1.723   2.213   6.491
  107    HE1  PHE  14           HE1      PHE  14   5.512   0.301   9.000
  108    HE2  PHE  14           HE2      PHE  14   2.882   3.550   8.270
  109    HZ   PHE  14           HZ       PHE  14   4.763   2.579   9.503
  110    HA   PRO  15           HA       PRO  15   5.730   2.497   4.832
  111   1HB   PRO  15          1HB       PRO  15   7.903   1.052   4.018
  112   2HB   PRO  15          2HB       PRO  15   7.288   1.017   5.659
  113   1HG   PRO  15          1HG       PRO  15   7.029  -1.026   3.538
  114   2HG   PRO  15          2HG       PRO  15   6.807  -1.205   5.267
  115   1HD   PRO  15          1HD       PRO  15   4.745  -1.029   3.282
  116   2HD   PRO  15          2HD       PRO  15   4.525  -1.091   5.020
  117    H    VAL  16           H        VAL  16   5.194   0.714   1.912
  118    HA   VAL  16           HA       VAL  16   6.748   2.423   0.285
  119    HB   VAL  16           HB       VAL  16   5.128   0.073   0.049
  120   1HG1  VAL  16          1HG1      VAL  16   4.604   2.194  -2.061
  121   2HG1  VAL  16          2HG1      VAL  16   4.191   0.470  -2.217
  122   3HG1  VAL  16          3HG1      VAL  16   3.411   1.462  -0.962
  123   1HG2  VAL  16          1HG2      VAL  16   7.081   1.384  -1.873
  124   2HG2  VAL  16          2HG2      VAL  16   7.499   0.255  -0.562
  125   3HG2  VAL  16          3HG2      VAL  16   6.520  -0.304  -1.940
  126    H    CYS  17           H        CYS  17   3.384   2.440   1.496
  127    HA   CYS  17           HA       CYS  17   2.546   4.448  -0.328
  128   1HB   CYS  17          1HB       CYS  17   1.307   3.352   2.202
  129   2HB   CYS  17          2HB       CYS  17   0.543   4.563   1.192
  130    H    LYS  18           H        LYS  18   3.772   4.261   3.052
  131    HA   LYS  18           HA       LYS  18   3.250   6.960   3.677
  132   1HB   LYS  18          1HB       LYS  18   3.527   5.180   5.357
  133   2HB   LYS  18          2HB       LYS  18   5.208   4.996   4.904
  134   1HG   LYS  18          1HG       LYS  18   5.782   7.195   5.693
  135   2HG   LYS  18          2HG       LYS  18   4.104   7.695   5.769
  136   1HD   LYS  18          1HD       LYS  18   4.916   7.225   8.038
  137   2HD   LYS  18          2HD       LYS  18   3.689   6.051   7.605
  138   1HE   LYS  18          1HE       LYS  18   5.628   4.942   8.685
  139   2HE   LYS  18          2HE       LYS  18   5.432   4.385   7.035
  140   1HZ   LYS  18          1HZ       LYS  18   7.723   5.076   7.780
  141   2HZ   LYS  18          2HZ       LYS  18   7.216   5.657   6.341
  142   3HZ   LYS  18          3HZ       LYS  18   7.210   6.621   7.659
  143    H    SER  19           H        SER  19   5.919   5.224   2.070
  144    HA   SER  19           HA       SER  19   7.683   7.420   2.226
  145   1HB   SER  19          1HB       SER  19   8.500   5.109   1.973
  146   2HB   SER  19          2HB       SER  19   7.671   4.950   0.437
  147    HG   SER  19           HG       SER  19   9.102   6.371  -0.540
  148    H    ARG  20           H        ARG  20   5.451   6.064  -0.288
  149    HA   ARG  20           HA       ARG  20   6.539   7.819  -2.232
  150   1HB   ARG  20          1HB       ARG  20   5.779   5.527  -2.826
  151   2HB   ARG  20          2HB       ARG  20   4.144   5.915  -2.326
  152   1HG   ARG  20          1HG       ARG  20   4.242   6.117  -4.745
  153   2HG   ARG  20          2HG       ARG  20   4.076   7.731  -4.083
  154   1HD   ARG  20          1HD       ARG  20   6.442   8.203  -4.404
  155   2HD   ARG  20          2HD       ARG  20   6.796   6.525  -4.762
  156    HE   ARG  20           HE       ARG  20   4.830   7.436  -6.627
  157   1HH1  ARG  20          1HH1      ARG  20   8.219   7.957  -5.837
  158   2HH1  ARG  20          2HH1      ARG  20   8.666   8.370  -7.458
  159   1HH2  ARG  20          1HH2      ARG  20   5.419   7.980  -8.767
  160   2HH2  ARG  20          2HH2      ARG  20   7.062   8.388  -9.135
  161    H    PHE  21           H        PHE  21   3.247   7.333  -0.727
  162    HA   PHE  21           HA       PHE  21   2.391   9.750  -2.107
  163   1HB   PHE  21          1HB       PHE  21   0.917   7.544  -0.544
  164   2HB   PHE  21          2HB       PHE  21   0.119   8.802  -1.468
  165    HD1  PHE  21           HD1      PHE  21   0.914   5.484  -1.555
  166    HD2  PHE  21           HD2      PHE  21   1.191   8.934  -4.010
  167    HE1  PHE  21           HE1      PHE  21   0.976   4.026  -3.596
  168    HE2  PHE  21           HE2      PHE  21   1.253   7.476  -6.051
  169    HZ   PHE  21           HZ       PHE  21   1.146   5.039  -5.820
  170    H    GLY  22           H        GLY  22   3.254   8.543   1.059
  171   1HA   GLY  22          1HA       GLY  22   3.462   9.705   3.001
  172   2HA   GLY  22          2HA       GLY  22   2.741  11.114   2.248
  173    H    LYS  23           H        LYS  23   1.182   7.906   2.114
  174    HA   LYS  23           HA       LYS  23  -1.128   9.013   3.414
  175   1HB   LYS  23          1HB       LYS  23  -0.550   6.293   2.204
  176   2HB   LYS  23          2HB       LYS  23  -2.091   6.750   2.900
  177   1HG   LYS  23          1HG       LYS  23  -1.059   8.755   0.980
  178   2HG   LYS  23          2HG       LYS  23  -1.308   7.180   0.252
  179   1HD   LYS  23          1HD       LYS  23  -3.646   7.147   1.224
  180   2HD   LYS  23          2HD       LYS  23  -3.384   8.770   1.832
  181   1HE   LYS  23          1HE       LYS  23  -4.485   9.143  -0.232
  182   2HE   LYS  23          2HE       LYS  23  -2.799   9.409  -0.631
  183   1HZ   LYS  23          1HZ       LYS  23  -2.670   7.222  -1.509
  184   2HZ   LYS  23          2HZ       LYS  23  -4.173   6.838  -0.999
  185   3HZ   LYS  23          3HZ       LYS  23  -3.970   7.945  -2.182
  186    H    THR  24           H        THR  24  -2.252   7.648   5.175
  187    HA   THR  24           HA       THR  24  -0.363   7.562   7.332
  188    HB   THR  24           HB       THR  24  -2.594   7.007   8.571
  189    HG1  THR  24           HG1      THR  24  -4.421   7.163   7.159
  190   1HG2  THR  24          1HG2      THR  24  -1.733   9.381   8.326
  191   2HG2  THR  24          2HG2      THR  24  -2.590   9.486   6.769
  192   3HG2  THR  24          3HG2      THR  24  -3.509   9.280   8.280
  193    H    ASN  25           H        ASN  25  -2.213   5.190   5.391
  194    HA   ASN  25           HA       ASN  25  -0.451   3.168   6.362
  195   1HB   ASN  25          1HB       ASN  25  -2.370   3.261   8.061
  196   2HB   ASN  25          2HB       ASN  25  -3.469   2.837   6.764
  197   1HD2  ASN  25          1HD2      ASN  25  -4.005   0.978   7.987
  198   2HD2  ASN  25          2HD2      ASN  25  -3.027  -0.451   7.920
  199    H    GLY  26           H        GLY  26  -0.777   1.107   5.042
  200   1HA   GLY  26          1HA       GLY  26  -2.720   1.296   2.862
  201   2HA   GLY  26          2HA       GLY  26  -1.026   1.171   2.430
  202    H    ARG  27           H        ARG  27  -3.295  -0.767   2.009
  203    HA   ARG  27           HA       ARG  27  -2.053  -3.010   3.347
  204   1HB   ARG  27          1HB       ARG  27  -5.046  -2.380   3.342
  205   2HB   ARG  27          2HB       ARG  27  -4.405  -3.955   3.766
  206   1HG   ARG  27          1HG       ARG  27  -2.997  -2.833   5.561
  207   2HG   ARG  27          2HG       ARG  27  -3.798  -1.320   5.186
  208   1HD   ARG  27          1HD       ARG  27  -5.999  -2.293   5.779
  209   2HD   ARG  27          2HD       ARG  27  -5.263  -3.861   6.051
  210    HE   ARG  27           HE       ARG  27  -5.168  -1.549   7.850
  211   1HH1  ARG  27          1HH1      ARG  27  -3.518  -4.518   6.930
  212   2HH1  ARG  27          2HH1      ARG  27  -2.835  -4.776   8.501
  213   1HH2  ARG  27          1HH2      ARG  27  -4.250  -1.878   9.917
  214   2HH2  ARG  27          2HH2      ARG  27  -3.220  -3.242  10.200
  215    H    CYS  28           H        CYS  28  -2.729  -5.155   2.280
  216    HA   CYS  28           HA       CYS  28  -2.534  -4.596  -0.548
  217   1HB   CYS  28          1HB       CYS  28  -0.931  -6.080   0.762
  218   2HB   CYS  28          2HB       CYS  28  -2.217  -7.269   0.818
  219    H    VAL  29           H        VAL  29  -4.564  -4.341  -1.480
  220    HA   VAL  29           HA       VAL  29  -6.671  -6.180  -0.638
  221    HB   VAL  29           HB       VAL  29  -6.698  -3.643  -2.286
  222   1HG1  VAL  29          1HG1      VAL  29  -9.195  -3.819  -2.037
  223   2HG1  VAL  29          2HG1      VAL  29  -8.465  -5.047  -3.099
  224   3HG1  VAL  29          3HG1      VAL  29  -8.960  -5.481  -1.446
  225   1HG2  VAL  29          1HG2      VAL  29  -7.659  -4.225   0.537
  226   2HG2  VAL  29          2HG2      VAL  29  -6.255  -3.232   0.076
  227   3HG2  VAL  29          3HG2      VAL  29  -7.901  -2.696  -0.343
  228    H    ASN  30           H        ASN  30  -6.599  -8.106  -1.708
  229    HA   ASN  30           HA       ASN  30  -6.808  -9.502  -3.352
  230   1HB   ASN  30          1HB       ASN  30  -7.439  -7.076  -5.115
  231   2HB   ASN  30          2HB       ASN  30  -7.842  -8.740  -5.489
  232   1HD2  ASN  30          1HD2      ASN  30  -9.709  -6.692  -5.382
  233   2HD2  ASN  30          2HD2      ASN  30 -10.808  -6.943  -4.067
  234    H    GLY  31           H        GLY  31  -4.172  -8.229  -2.831
  235   1HA   GLY  31          1HA       GLY  31  -2.185  -9.023  -3.676
  236   2HA   GLY  31          2HA       GLY  31  -2.938  -9.317  -5.230
  237    H    PHE  32           H        PHE  32  -3.900  -6.238  -4.144
  238    HA   PHE  32           HA       PHE  32  -1.537  -4.934  -5.257
  239   1HB   PHE  32          1HB       PHE  32  -4.498  -4.592  -6.013
  240   2HB   PHE  32          2HB       PHE  32  -3.274  -3.430  -6.480
  241    HD1  PHE  32           HD1      PHE  32  -4.927  -6.449  -7.361
  242    HD2  PHE  32           HD2      PHE  32  -1.301  -4.308  -7.892
  243    HE1  PHE  32           HE1      PHE  32  -4.432  -7.797  -9.420
  244    HE2  PHE  32           HE2      PHE  32  -0.807  -5.656  -9.950
  245    HZ   PHE  32           HZ       PHE  32  -2.378  -7.384 -10.690
  246    H    CYS  33           H        CYS  33  -1.205  -2.755  -4.494
  247    HA   CYS  33           HA       CYS  33  -1.942  -2.688  -1.773
  248   1HB   CYS  33          1HB       CYS  33  -0.421  -0.702  -3.473
  249   2HB   CYS  33          2HB       CYS  33  -0.607  -0.582  -1.735
  250    H    ASP  34           H        ASP  34  -3.394  -1.249  -0.697
  251    HA   ASP  34           HA       ASP  34  -4.577   0.784  -2.417
  252   1HB   ASP  34          1HB       ASP  34  -6.207  -1.041  -1.784
  253   2HB   ASP  34          2HB       ASP  34  -5.929  -0.669  -0.094
  254    HD2  ASP  34           HD2      ASP  34  -8.764   1.228  -1.873
  255    H    CYS  35           H        CYS  35  -4.238   2.877  -1.576
  256    HA   CYS  35           HA       CYS  35  -2.909   2.886   1.035
  257   1HB   CYS  35          1HB       CYS  35  -2.440   4.719  -1.327
  258   2HB   CYS  35          2HB       CYS  35  -1.610   4.792   0.214
  259    H    PHE  36           H        PHE  36  -3.808   4.208   2.614
  260    HA   PHE  36           HA       PHE  36  -5.694   6.252   1.809
  261   1HB   PHE  36          1HB       PHE  36  -7.440   5.136   3.302
  262   2HB   PHE  36          2HB       PHE  36  -7.056   4.183   1.884
  263    HD1  PHE  36           HD1      PHE  36  -5.871   2.081   2.077
  264    HD2  PHE  36           HD2      PHE  36  -6.692   4.423   5.520
  265    HE1  PHE  36           HE1      PHE  36  -5.310   0.122   3.543
  266    HE2  PHE  36           HE2      PHE  36  -6.131   2.464   6.986
  267    HZ   PHE  36           HZ       PHE  36  -5.448   0.337   5.981