*HEADER    PLANT PROTEIN                           30-AUG-99   1CXR              
*TITLE     AUTOMATED 2D NOESY ASSIGNMENT AND STRUCTURE CALCULATION OF            
*TITLE    2 CRAMBIN(S22/I25) WITH SELF-CORRECTING DISTANCE GEOMETRY              
*TITLE    3 BASED NOAH/DIAMOD PROGRAMS                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SEEDS OF CRAMBE ABYSSINICA;                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: ISOFORM OF CRAMBIN (46 RESIDUES);                          
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: S22P, I25L                                                 
*SOURCE    MOL_ID: 1                                                             
*KEYWDS    CRAMBIN, CRAMBE ABYSSINICA, PLANT SEED PROTEIN FEB. 20, 1997          
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    Y.XU, J.WU, D.GORENSTEIN, W.BRAUN                                     
*REVDAT   1   07-SEP-99 1CXR    0 

# upl constraints created by NOAH                                                
 10 ARG+ 
         HN     10 ARG+ HE      4.35  0.50E+01
         QH1    10 ARG+ HE      4.23  0.50E+01
 23 GLU  
         HA     23 GLU  HN      3.08  0.90E+01
         QG     23 GLU  HN      4.73  0.90E+01
         HB2    23 GLU  HN      2.95  0.90E+01
         HB3    23 GLU  HN      3.54  0.90E+01
 26 CYSS 
         HN     27 ALA  HN      3.19  0.90E+01
 28 THR  
         HN     27 ALA  HN      3.41  0.90E+01
 13 PHE  
         HE1    27 ALA  HN      3.24  0.50E+01
         HD1    27 ALA  HN      4.49  0.50E+01
 27 ALA  
         HA     27 ALA  HN      3.42  0.90E+01
 26 CYSS 
         HB2    27 ALA  HN      3.83  0.90E+01
         HB3    27 ALA  HN      3.58  0.90E+01
 27 ALA  
         QB     27 ALA  HN      3.81  0.90E+01
 10 ARG+ 
         HA     13 PHE  HN      3.79  0.90E+01
 14 ASN  
         HN     13 PHE  HN      3.32  0.90E+01
 12 ASN  
         HN     13 PHE  HN      3.04  0.90E+01
 13 PHE  
         HD1    13 PHE  HN      3.83  0.50E+01
         HA     13 PHE  HN      3.59  0.90E+01
 16 CYSS 
         HA     16 CYSS HN      2.96  0.90E+01
 13 PHE  
         HB3    13 PHE  HN      2.91  0.90E+01
 12 ASN  
         HB2    13 PHE  HN      3.48  0.90E+01
         HB3    13 PHE  HN      3.61  0.90E+01
 30 THR  
         QG2    13 PHE  HN      4.85  0.50E+01
 15 VAL  
         HB     16 CYSS HN      3.29  0.90E+01
  7 ILE  
         HA      7 ILE  HN      3.63  0.90E+01
  8 VAL  
         HN      7 ILE  HN      3.41  0.90E+01
  6 SER  
         HA      7 ILE  HN      3.10  0.90E+01
  7 ILE  
         HB      7 ILE  HN      3.15  0.90E+01
         HG12    7 ILE  HN      3.61  0.50E+01
         QG2     7 ILE  HN      4.95  0.50E+01
 34 ILE  
         HA     33 ILE  HN      3.94  0.50E+01
  3 CYSS 
         HB3     3 CYSS HN      4.15  0.90E+01
 34 ILE  
         HA      3 CYSS HN      3.60  0.50E+01
 30 THR  
         HA     31 GLY  HN      3.38  0.90E+01
  2 THR  
         HA      3 CYSS HN      2.39  0.90E+01
  3 CYSS 
         HA      4 CYSS HN      2.65  0.90E+01
         HB3     3 CYSS HN      3.73  0.90E+01
  2 THR  
         HB      3 CYSS HN      3.78  0.90E+01
  3 CYSS 
         HB2     3 CYSS HN      2.91  0.50E+01
 32 CYSS 
         HB3    33 ILE  HN      2.99  0.50E+01
  2 THR  
         QG2    33 ILE  HN      4.30  0.50E+01
 33 ILE  
         HG13   33 ILE  HN      3.20  0.50E+01
 46 ASN  
         HN      4 CYSS HN      3.63  0.90E+01
 10 ARG+ 
         QH1     4 CYSS HN      4.72  0.50E+01
         QH1     3 CYSS HN      5.14  0.50E+01
  4 CYSS 
         HA      4 CYSS HN      3.23  0.90E+01
 33 ILE  
         HG12   33 ILE  HN      3.19  0.50E+01
 44 TYR  
         HD1     4 CYSS HN      4.00  0.50E+01
  2 THR  
         QG2     3 CYSS HN      4.01  0.50E+01
 33 ILE  
         QD1    33 ILE  HN      4.56  0.50E+01
         HA     33 ILE  HN      3.59  0.90E+01
 28 THR  
         HA     29 TYR  HN      3.38  0.90E+01
 33 ILE  
         HB     33 ILE  HN      3.97  0.90E+01
         QG2    33 ILE  HN      4.40  0.50E+01
 43 ASP  
         HN     42 GLY  HN      3.93  0.90E+01
 41 PRO  
         HA     42 GLY  HN      2.87  0.90E+01
 42 GLY  
         HA1    42 GLY  HN      2.68  0.50E+01
 41 PRO  
         HB2    42 GLY  HN      3.66  0.90E+01
 40 CYSS 
         HB3    40 CYSS HN      3.22  0.90E+01
         HA     40 CYSS HN      3.54  0.90E+01
 39 THR  
         HA     40 CYSS HN      2.86  0.90E+01
 13 PHE  
         HA     14 ASN  HN      3.53  0.50E+01
 40 CYSS 
         HB2    40 CYSS HN      2.88  0.90E+01
 39 THR  
         QG2    40 CYSS HN      4.93  0.50E+01
 15 VAL  
         HN     14 ASN  HN      3.25  0.90E+01
 13 PHE  
         HB3    14 ASN  HN      3.08  0.90E+01
 14 ASN  
         HB3    14 ASN  HN      3.01  0.50E+01
         HB2    14 ASN  HN      3.26  0.90E+01
  2 THR  
         HA      2 THR  HN      3.79  0.90E+01
         HB      2 THR  HN      3.76  0.90E+01
  1 THR  
         QG2     2 THR  HN      4.72  0.50E+01
  2 THR  
         QG2     2 THR  HN      5.06  0.50E+01
 24 ALA  
         HA     24 ALA  HN      2.96  0.90E+01
 25 ILE  
         HA     27 ALA  HN      3.79  0.90E+01
         HN     24 ALA  HN      3.33  0.90E+01
 24 ALA  
         QB     24 ALA  HN      3.94  0.90E+01
 21 THR  
         QG2    24 ALA  HN      4.69  0.50E+01
 11 SER  
         HN     12 ASN  HN      3.02  0.90E+01
 12 ASN  
         HD22   12 ASN  HN      4.22  0.50E+01
 11 SER  
         HA     12 ASN  HN      3.10  0.90E+01
         HB2    12 ASN  HN      3.31  0.90E+01
 12 ASN  
         HB2    12 ASN  HN      2.94  0.90E+01
         HB3    12 ASN  HN      3.36  0.90E+01
         HA     12 ASN  HN      3.39  0.90E+01
  2 THR  
         HA     35 ILE  HN      3.74  0.90E+01
 35 ILE  
         HA     35 ILE  HN      3.57  0.90E+01
 34 ILE  
         HA     35 ILE  HN      2.57  0.90E+01
 35 ILE  
         HG13   35 ILE  HN      3.33  0.50E+01
 38 ALA  
         QB     38 ALA  HN      3.83  0.50E+01
 39 THR  
         HN     38 ALA  HN      3.14  0.90E+01
 37 GLY  
         HA1    38 ALA  HN      2.97  0.50E+01
 11 SER  
         HB2    11 SER  HN      2.97  0.90E+01
 10 ARG+ 
         HN     11 SER  HN      3.19  0.90E+01
 11 SER  
         HA     11 SER  HN      2.99  0.90E+01
 10 ARG+ 
         HB2    11 SER  HN      3.72  0.50E+01
  8 VAL  
         HA     11 SER  HN      3.79  0.90E+01
 44 TYR  
         HN     43 ASP  HN      3.02  0.90E+01
 42 GLY  
         HA1    43 ASP  HN      3.22  0.50E+01
 43 ASP  
         HA     43 ASP  HN      3.78  0.90E+01
         HB2    43 ASP  HN      3.71  0.90E+01
         HB3    43 ASP  HN      3.74  0.90E+01
 25 ILE  
         HN     26 CYSS HN      3.03  0.90E+01
         HA     26 CYSS HN      3.91  0.90E+01
 26 CYSS 
         HB2    26 CYSS HN      3.37  0.90E+01
         HB3    26 CYSS HN      2.99  0.50E+01
         HA     26 CYSS HN      3.35  0.90E+01
 14 ASN  
         HB2    15 VAL  HN      3.73  0.50E+01
 18 LEU  
         HB3    18 LEU  HN      3.54  0.50E+01
 15 VAL  
         HA     15 VAL  HN      3.24  0.90E+01
         HA     22 SER  HN      3.40  0.90E+01
 14 ASN  
         HB3    15 VAL  HN      3.54  0.90E+01
 15 VAL  
         HB     15 VAL  HN      2.82  0.50E+01
         HB     22 SER  HN      2.96  0.90E+01
         QG1    15 VAL  HN      4.00  0.50E+01
 22 SER  
         HA     22 SER  HN      3.31  0.90E+01
 20 GLY  
         HA1    20 GLY  HN      2.96  0.90E+01
 21 THR  
         HN     22 SER  HN      3.26  0.90E+01
 33 ILE  
         HA     34 ILE  HN      2.54  0.90E+01
 34 ILE  
         HB     34 ILE  HN      2.55  0.90E+01
 33 ILE  
         QG2    34 ILE  HN      4.66  0.50E+01
 34 ILE  
         HG13   34 ILE  HN      3.93  0.50E+01
         HG12   34 ILE  HN      3.91  0.50E+01
 44 TYR  
         HB3    44 TYR  HN      3.62  0.90E+01
         HB2    44 TYR  HN      3.23  0.90E+01
         HD1    44 TYR  HN      3.65  0.50E+01
 45 ALA  
         HN     44 TYR  HN      3.34  0.90E+01
  6 SER  
         HN      9 ALA  HN      3.58  0.50E+01
  8 VAL  
         HN      9 ALA  HN      2.69  0.90E+01
  9 ALA  
         HA      9 ALA  HN      3.19  0.90E+01
  8 VAL  
         HB      9 ALA  HN      3.28  0.50E+01
 12 ASN  
         HA     15 VAL  HN      3.38  0.90E+01
 10 ARG+ 
         HN      9 ALA  HN      3.10  0.90E+01
 46 ASN  
         HB2    46 ASN  HN      3.82  0.90E+01
  9 ALA  
         QB      9 ALA  HN      3.98  0.90E+01
 46 ASN  
         HB3    46 ASN  HN      3.19  0.90E+01
 32 CYSS 
         HN     31 GLY  HN      3.05  0.90E+01
 30 THR  
         HN     31 GLY  HN      2.79  0.90E+01
 31 GLY  
         HA1    31 GLY  HN      3.09  0.90E+01
 46 ASN  
         HA     46 ASN  HN      3.87  0.90E+01
 37 GLY  
         HA1    37 GLY  HN      3.16  0.50E+01
 36 PRO  
         HA     37 GLY  HN      3.91  0.90E+01
 28 THR  
         HN     29 TYR  HN      3.35  0.90E+01
 30 THR  
         HN     29 TYR  HN      3.16  0.90E+01
 29 TYR  
         HD1    29 TYR  HN      4.31  0.50E+01
         HB2    29 TYR  HN      3.45  0.90E+01
         HB3    29 TYR  HN      2.84  0.90E+01
  7 ILE  
         HA     10 ARG+ HN      4.26  0.90E+01
 14 ASN  
         HD21   14 ASN  HD22    2.32  0.50E+01
         HB3    14 ASN  HD22    3.28  0.50E+01
         HB2    14 ASN  HD22    3.30  0.50E+01
 10 ARG+ 
         HA     10 ARG+ HN      3.52  0.90E+01
         HB2    10 ARG+ HN      3.01  0.50E+01
 27 ALA  
         HA     32 CYSS HN      3.68  0.50E+01
 30 THR  
         HB     32 CYSS HN      5.00  0.90E+01
 43 ASP  
         HA     44 TYR  HN      3.38  0.90E+01
 32 CYSS 
         HB2    32 CYSS HN      2.91  0.50E+01
         HA     32 CYSS HN      3.63  0.90E+01
         HB3    32 CYSS HN      3.68  0.90E+01
 30 THR  
         HN     32 CYSS HN      3.10  0.50E+01
 45 ALA  
         HA     45 ALA  HN      5.00  0.90E+01
 10 ARG+ 
         HA     11 SER  HN      3.38  0.90E+01
 17 ARG+ 
         HA     17 ARG+ HN      3.14  0.90E+01
 31 GLY  
         HA1    32 CYSS HN      3.28  0.50E+01
 39 THR  
         HB     39 THR  HN      3.20  0.90E+01
 17 ARG+ 
         HB2    17 ARG+ HN      3.03  0.90E+01
         HG2    17 ARG+ HN      3.03  0.90E+01
 39 THR  
         HA     39 THR  HN      4.62  0.90E+01
 17 ARG+ 
         HB3    17 ARG+ HN      3.35  0.50E+01
 38 ALA  
         QB     39 THR  HN      5.06  0.50E+01
 45 ALA  
         QB     45 ALA  HN      4.32  0.90E+01
  8 VAL  
         QG1     8 VAL  HN      4.42  0.90E+01
         HA      8 VAL  HN      3.42  0.90E+01
 25 ILE  
         HB     28 THR  HN      2.94  0.50E+01
  8 VAL  
         HB      8 VAL  HN      2.75  0.90E+01
 39 THR  
         HB     39 THR  HN      3.57  0.90E+01
 27 ALA  
         QB     28 THR  HN      4.21  0.90E+01
 45 ALA  
         QB     45 ALA  HN      3.98  0.90E+01
 17 ARG+ 
         HN     18 LEU  HN      3.51  0.90E+01
         HA     18 LEU  HN      3.30  0.90E+01
 27 ALA  
         HA     28 THR  HN      3.37  0.90E+01
 15 VAL  
         HA     18 LEU  HN      3.17  0.90E+01
 17 ARG+ 
         HB2    18 LEU  HN      3.71  0.90E+01
 28 THR  
         HA     28 THR  HN      3.58  0.90E+01
 30 THR  
         HB     30 THR  HN      3.08  0.50E+01
         HA     30 THR  HN      3.20  0.90E+01
 29 TYR  
         HB3    30 THR  HN      3.75  0.50E+01
 30 THR  
         QG2    30 THR  HN      4.36  0.90E+01
 29 TYR  
         HB2    30 THR  HN      5.00  0.50E+01
 12 ASN  
         HB2    12 ASN  HD22    3.68  0.50E+01
 18 LEU  
         HA     18 LEU  HN      3.84  0.90E+01
 12 ASN  
         HD21   12 ASN  HD22    2.25  0.50E+01
         HB3    12 ASN  HD22    3.36  0.50E+01
 24 ALA  
         HA     25 ILE  HN      4.07  0.90E+01
 13 PHE  
         HZ     13 PHE  HE1     2.42  0.50E+01
         HD1    13 PHE  HE1     2.49  0.50E+01
 26 CYSS 
         HB2    13 PHE  HE1     3.75  0.50E+01
 27 ALA  
         QB     13 PHE  HE1     4.22  0.50E+01
  2 THR  
         QG2    13 PHE  HE1     4.54  0.50E+01
 25 ILE  
         HA     25 ILE  HN      3.22  0.90E+01
         HB     25 ILE  HN      3.09  0.90E+01
 24 ALA  
         QB     25 ILE  HN      4.59  0.90E+01
 17 ARG+ 
         HD3    17 ARG+ HE      3.22  0.50E+01
         HG2    17 ARG+ HE      3.20  0.50E+01
         HG3    17 ARG+ HE      3.16  0.50E+01
         HB2    17 ARG+ HE      3.91  0.50E+01
  2 THR  
         QG2    13 PHE  HZ      4.32  0.50E+01
 29 TYR  
         HB3    29 TYR  HD1     4.10  0.50E+01
         HE1    29 TYR  HD1     2.59  0.50E+01
 30 THR  
         QG2    13 PHE  HD1     5.05  0.50E+01
         HB     13 PHE  HD1     3.67  0.50E+01
 27 ALA  
         HA     13 PHE  HD1     3.54  0.50E+01
 13 PHE  
         HA     13 PHE  HD1     3.42  0.50E+01
         HB2    13 PHE  HD1     3.13  0.50E+01
         HB3    13 PHE  HD1     2.96  0.50E+01
 32 CYSS 
         HB2    13 PHE  HD1     3.98  0.50E+01
 26 CYSS 
         HB2    13 PHE  HD1     3.27  0.50E+01
         HB3    13 PHE  HD1     3.51  0.90E+01
 27 ALA  
         QB     13 PHE  HD1     5.26  0.50E+01
 10 ARG+ 
         HD2    10 ARG+ QH2     4.25  0.50E+01
 14 ASN  
         HB3    14 ASN  HD21    3.76  0.50E+01
         HB2    14 ASN  HD21    3.75  0.50E+01
  6 SER  
         HA      6 SER  HN      3.34  0.90E+01
  5 PRO  
         HG2     6 SER  HN      3.13  0.50E+01
  9 ALA  
         QB      6 SER  HN      3.91  0.90E+01
 46 ASN  
         HB2    46 ASN  HD22    3.62  0.50E+01
         HB3    46 ASN  HD22    3.11  0.50E+01
         HD21   46 ASN  HD22    2.30  0.50E+01
 32 CYSS 
         HA     33 ILE  HN      3.38  0.90E+01
 21 THR  
         HA     21 THR  HN      3.05  0.90E+01
         HB     21 THR  HN      3.86  0.90E+01
 33 ILE  
         QG2    44 TYR  HE1     4.36  0.50E+01
 44 TYR  
         HD1    44 TYR  HE1     2.20  0.50E+01
  4 CYSS 
         HA     44 TYR  HE1     4.36  0.50E+01
 32 CYSS 
         HA     44 TYR  HE1     4.27  0.50E+01
 33 ILE  
         QD1    44 TYR  HE1     5.11  0.50E+01
         QG2    44 TYR  HD1     5.16  0.50E+01
  4 CYSS 
         HA     44 TYR  HD1     3.67  0.50E+01
 44 TYR  
         HB3    44 TYR  HD1     2.84  0.50E+01
         HB2    44 TYR  HD1     2.96  0.50E+01
 33 ILE  
         QD1    44 TYR  HD1     4.76  0.50E+01
 32 CYSS 
         HA     44 TYR  HD1     3.75  0.50E+01
 12 ASN  
         HB2    12 ASN  HD21    3.65  0.50E+01
         HB3    12 ASN  HD21    4.14  0.50E+01
 10 ARG+ 
         HD2    10 ARG+ QH1     3.79  0.50E+01
  3 CYSS 
         HA     10 ARG+ QH1     4.57  0.50E+01
  2 THR  
         HB     10 ARG+ QH1     5.22  0.50E+01
 32 CYSS 
         HA      4 CYSS HA      2.69  0.90E+01
  5 PRO  
         HD2     4 CYSS HA      3.00  0.90E+01
         HD3     4 CYSS HA      3.15  0.90E+01
  4 CYSS 
         HB2     4 CYSS HA      2.84  0.50E+01
 32 CYSS 
         HB3     4 CYSS HA      3.68  0.90E+01
 34 ILE  
         HA      2 THR  HA      3.03  0.90E+01
  5 PRO  
         HD3    32 CYSS HA      3.43  0.50E+01
  2 THR  
         HB      2 THR  HA      3.18  0.50E+01
         QG2     2 THR  HA      4.01  0.50E+01
 32 CYSS 
         HB2    32 CYSS HA      3.12  0.50E+01
         HB3    32 CYSS HA      3.04  0.50E+01
  5 PRO  
         HD2    32 CYSS HA      3.46  0.90E+01
  3 CYSS 
         HB2     3 CYSS HA      3.81  0.90E+01
         HB3     3 CYSS HA      3.23  0.90E+01
 36 PRO  
         HD2    35 ILE  HA      2.46  0.50E+01
 35 ILE  
         HB     35 ILE  HA      3.02  0.50E+01
         QG2    35 ILE  HA      4.09  0.50E+01
         QG2     3 CYSS HA      4.41  0.50E+01
 41 PRO  
         HD2    40 CYSS HA      2.72  0.90E+01
         HD3    40 CYSS HA      2.81  0.90E+01
 40 CYSS 
         HB3    40 CYSS HA      3.01  0.90E+01
         HB2    40 CYSS HA      3.38  0.50E+01
 35 ILE  
         QD1    40 CYSS HA      4.22  0.50E+01
  6 SER  
         HB2     6 SER  HA      4.40  0.50E+01
 33 ILE  
         HB     33 ILE  HA      2.63  0.50E+01
         QG2    33 ILE  HA      3.83  0.50E+01
 34 ILE  
         QG2    34 ILE  HA      4.36  0.50E+01
 27 ALA  
         HA     30 THR  HB      3.56  0.50E+01
 30 THR  
         QG2    30 THR  HB      4.43  0.50E+01
 34 ILE  
         HG13   34 ILE  HA      3.76  0.50E+01
  2 THR  
         QG2    34 ILE  HA      5.87  0.50E+01
 43 ASP  
         HB2    43 ASP  HA      3.07  0.50E+01
         HB3    43 ASP  HA      3.07  0.50E+01
 46 ASN  
         HB2    46 ASN  HA      2.89  0.50E+01
 26 CYSS 
         HB3    26 CYSS HA      3.83  0.50E+01
         HB2    26 CYSS HA      3.21  0.50E+01
 46 ASN  
         HB3    46 ASN  HA      3.24  0.50E+01
  9 ALA  
         QB     10 ARG+ HA      5.29  0.90E+01
 30 THR  
         QG2    30 THR  HA      3.51  0.50E+01
 41 PRO  
         HD3    41 PRO  HA      4.14  0.50E+01
         HB2    41 PRO  HA      2.71  0.50E+01
         HB3    41 PRO  HA      2.63  0.50E+01
 10 ARG+ 
         HB2    10 ARG+ HA      2.87  0.50E+01
 13 PHE  
         HB2    10 ARG+ HA      3.31  0.50E+01
  3 CYSS 
         HB2     3 CYSS HB3     2.61  0.50E+01
 44 TYR  
         HB3     3 CYSS HB3     3.14  0.50E+01
 13 PHE  
         HB3    10 ARG+ HA      3.23  0.50E+01
 39 THR  
         HB     39 THR  HA      3.49  0.50E+01
         QG2    39 THR  HA      4.27  0.50E+01
 12 ASN  
         HB2    12 ASN  HA      3.75  0.50E+01
         HB3    12 ASN  HA      3.30  0.50E+01
  9 ALA  
         QB      9 ALA  HA      3.90  0.90E+01
 38 ALA  
         QB     39 THR  HA      5.90  0.50E+01
  1 THR  
         QG2     1 THR  HA      4.84  0.50E+01
 18 LEU  
         QD2    18 LEU  HA      5.41  0.50E+01
 24 ALA  
         QB     24 ALA  HA      3.77  0.50E+01
 32 CYSS 
         HB3    27 ALA  HA      3.82  0.50E+01
  7 ILE  
         HB      7 ILE  HA      3.29  0.50E+01
  1 THR  
         QG2     1 THR  HB      5.59  0.50E+01
  7 ILE  
         QG2     7 ILE  HA      5.75  0.50E+01
 27 ALA  
         QB     27 ALA  HA      3.74  0.50E+01
 32 CYSS 
         HB2    27 ALA  HA      3.45  0.90E+01
 17 ARG+ 
         HG2    17 ARG+ HA      3.17  0.50E+01
         HD2    17 ARG+ HA      3.68  0.50E+01
         HD3    17 ARG+ HA      4.32  0.50E+01
         HB2    17 ARG+ HA      3.33  0.50E+01
         HB3    17 ARG+ HA      3.17  0.50E+01
  9 ALA  
         QB      5 PRO  HD2     4.25  0.50E+01
 21 THR  
         QG2    21 THR  HA      4.64  0.50E+01
         HB     21 THR  HA      3.08  0.50E+01
  5 PRO  
         HD3     5 PRO  HD2     2.65  0.50E+01
 28 THR  
         QG2    28 THR  HA      4.33  0.50E+01
 30 THR  
         QG2    13 PHE  HA      4.33  0.50E+01
 39 THR  
         QG2    39 THR  HB      4.01  0.50E+01
 12 ASN  
         HB2    13 PHE  HA      4.16  0.50E+01
 26 CYSS 
         HB2    13 PHE  HA      3.66  0.50E+01
 21 THR  
         QG2    21 THR  HB      4.79  0.50E+01
 13 PHE  
         HB3    13 PHE  HB2     2.47  0.50E+01
 40 CYSS 
         HB3    41 PRO  HD2     3.46  0.50E+01
 41 PRO  
         HD3    41 PRO  HD2     2.24  0.50E+01
 16 CYSS 
         HB2    16 CYSS HA      3.21  0.50E+01
  5 PRO  
         HG2     5 PRO  HD3     3.39  0.50E+01
 25 ILE  
         HG12   25 ILE  HA      4.13  0.50E+01
  8 VAL  
         QG2     8 VAL  HA      4.49  0.50E+01
  2 THR  
         QG2     2 THR  HB      3.96  0.50E+01
 18 LEU  
         HB3    15 VAL  HA      3.51  0.50E+01
 15 VAL  
         QG1    15 VAL  HA      4.15  0.50E+01
         QG2    15 VAL  HA      4.13  0.50E+01
 18 LEU  
         HB2    15 VAL  HA      2.71  0.50E+01
 40 CYSS 
         HB3    41 PRO  HD3     3.17  0.50E+01
         HB2    41 PRO  HD3     4.12  0.50E+01
 41 PRO  
         HB2    41 PRO  HD3     3.61  0.50E+01
 20 GLY  
         HA2    20 GLY  HA1     2.37  0.50E+01
 40 CYSS 
         HB3    40 CYSS HB2     2.26  0.50E+01
 23 GLU  
         HB2    23 GLU  HA      2.82  0.50E+01
         HB3    23 GLU  HA      2.68  0.50E+01
 14 ASN  
         HB2    14 ASN  HB3     2.29  0.50E+01
 17 ARG+ 
         HD3    17 ARG+ HD2     2.47  0.50E+01
 29 TYR  
         HB3    29 TYR  HB2     2.31  0.50E+01
 12 ASN  
         HB3    12 ASN  HB2     2.25  0.50E+01
 30 THR  
         QG2    12 ASN  HB2     4.52  0.50E+01
 43 ASP  
         HB3    43 ASP  HB2     2.28  0.50E+01
 44 TYR  
         HB2    44 TYR  HB3     2.37  0.50E+01
  3 CYSS 
         HB2    44 TYR  HB3     2.94  0.90E+01
  5 PRO  
         HB3     5 PRO  HG2     3.76  0.50E+01
  9 ALA  
         QB      5 PRO  HG2     4.06  0.50E+01
 27 ALA  
         QB     32 CYSS HB2     5.17  0.50E+01
 32 CYSS 
         HB3    32 CYSS HB2     2.30  0.50E+01
 26 CYSS 
         HB3    26 CYSS HB2     2.36  0.90E+01
 30 THR  
         QG2    12 ASN  HB3     4.73  0.50E+01
 16 CYSS 
         HB3    16 CYSS HB2     2.27  0.90E+01
 46 ASN  
         HB3    46 ASN  HB2     2.25  0.50E+01
 33 ILE  
         HG12    3 CYSS HB2     3.79  0.50E+01
         QD1     3 CYSS HB2     5.18  0.50E+01
         HG13    3 CYSS HB2     4.17  0.50E+01
 27 ALA  
         QB     32 CYSS HB3     5.36  0.50E+01
  2 THR  
         QG2    32 CYSS HB3     4.98  0.50E+01
 35 ILE  
         QG2     3 CYSS HB2     5.41  0.50E+01
 41 PRO  
         HB3    41 PRO  HB2     2.45  0.50E+01
 15 VAL  
         QG1    15 VAL  HB      4.13  0.50E+01
         QG2    15 VAL  HB      4.28  0.50E+01
  7 ILE  
         QG2     7 ILE  HB      4.32  0.50E+01
 17 ARG+ 
         HB3    17 ARG+ HB2     2.28  0.50E+01
  7 ILE  
         HG13    7 ILE  HG12    2.74  0.50E+01
         QD1     7 ILE  HG12    3.98  0.50E+01
 34 ILE  
         HG12   34 ILE  HB      3.76  0.50E+01
         QG2    34 ILE  HB      3.74  0.90E+01
 18 LEU  
         QD2    18 LEU  HB3     6.00  0.90E+01
 33 ILE  
         QG2    33 ILE  HB      3.81  0.90E+01
         QD1    33 ILE  HB      4.13  0.90E+01
 25 ILE  
         QG2    27 ALA  QB      5.66  0.90E+01
 34 ILE  
         HG12   27 ALA  QB      4.56  0.90E+01
 35 ILE  
         HG13   35 ILE  HG12    2.65  0.90E+01
         QG2    35 ILE  HG12    4.15  0.50E+01
         QD1    35 ILE  HG12    3.97  0.50E+01
 25 ILE  
         QG2    34 ILE  HG12    4.69  0.50E+01
 34 ILE  
         HG13   34 ILE  HG12    2.50  0.50E+01
  7 ILE  
         QD1     7 ILE  HG13    4.89  0.50E+01
 15 VAL  
         QG2    15 VAL  QG1     4.39  0.50E+01
 33 ILE  
         QG2    33 ILE  HG12    5.61  0.50E+01
         QD1    33 ILE  HG12    4.07  0.50E+01
 35 ILE  
         QG2    35 ILE  HG13    3.33  0.50E+01
 33 ILE  
         QD1    33 ILE  HG13    3.76  0.50E+01
         QG2    33 ILE  HG13    3.93  0.50E+01
 10 ARG+ 
         QH1    46 ASN  HN      6.00  0.50E+01
  6 SER  
         HN      7 ILE  HN      5.00  0.50E+01
 44 TYR  
         HE1    33 ILE  HN      5.00  0.50E+01
 32 CYSS 
         HN     33 ILE  HN      5.00  0.50E+01
 13 PHE  
         HZ     27 ALA  HN      5.00  0.50E+01
 11 SER  
         HN     13 PHE  HN      5.00  0.50E+01
 10 ARG+ 
         HE      4 CYSS HN      5.00  0.50E+01
 14 ASN  
         HD22   14 ASN  HN      5.00  0.50E+01
 12 ASN  
         HN     12 ASN  HD21    5.00  0.50E+01
 14 ASN  
         HN     14 ASN  HD21    5.00  0.50E+01
 33 ILE  
         HN     44 TYR  HE1     5.00  0.50E+01
  7 ILE  
         HN      6 SER  HN      5.00  0.50E+01
 14 ASN  
         HN     12 ASN  HN      5.00  0.50E+01
 31 GLY  
         HN     30 THR  HB      5.00  0.50E+01
  6 SER  
         HN      4 CYSS HA      5.00  0.50E+01
 20 GLY  
         HN     19 PRO  HD3     5.00  0.50E+01
  9 ALA  
         HN      8 VAL  HA      5.00  0.50E+01
 17 ARG+ 
         HE     17 ARG+ HD2     5.00  0.50E+01
 29 TYR  
         HD1    29 TYR  HB2     5.00  0.50E+01
 44 TYR  
         HD1     3 CYSS HB2     5.00  0.50E+01
 18 LEU  
         HB2    18 LEU  HB3     5.00  0.50E+01
 46 ASN  
         HD21   46 ASN  HB2     5.00  0.50E+01
 44 TYR  
         HD1    43 ASP  HB2     5.00  0.50E+01
 13 PHE  
         HD1    16 CYSS HB2     5.00  0.50E+01
 46 ASN  
         HD21   46 ASN  HB3     5.00  0.50E+01
 16 CYSS 
         HN     16 CYSS HB3     5.00  0.50E+01
 42 GLY  
         HN     41 PRO  HB3     5.00  0.50E+01
 43 ASP  
         HN     44 TYR  HB2     5.00  0.50E+01
 13 PHE  
         HZ     27 ALA  QB      6.00  0.50E+01
         HN     11 SER  HN      5.00  0.50E+01
 40 CYSS 
         HA     35 ILE  HA      5.00  0.50E+01
 34 ILE  
         HA     35 ILE  HA      5.00  0.50E+01
 13 PHE  
         HA     15 VAL  HB      5.00  0.50E+01
 41 PRO  
         HD3     3 CYSS HB2     5.00  0.50E+01
 30 THR  
         HB     32 CYSS HB2     5.00  0.50E+01
  3 CYSS
         SG     40 CYSS SG      2.10  9.00E+00
         SG     40 CYSS CB      3.10  9.00E+00
  4 CYSS
         SG     32 CYSS SG      2.10  9.00E+00
         SG     32 CYSS CB      3.10  9.00E+00
 16 CYSS
         SG     26 CYSS SG      2.10  9.00E+00
         SG     26 CYSS CB      3.10  9.00E+00
                                               

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    THR   1           H        THR   1  -5.033   7.529  -4.265
    2    HA   THR   1           HA       THR   1  -2.814   6.942  -5.249
    3    HB   THR   1           HB       THR   1  -2.920   7.271  -2.206
    4    HG1  THR   1          1HG       THR   1  -3.284   9.490  -2.809
    5   1HG2  THR   1          1HG2      THR   1  -0.995   8.348  -4.333
    6   2HG2  THR   1          2HG2      THR   1  -0.920   8.692  -2.588
    7   3HG2  THR   1          3HG2      THR   1  -0.610   7.044  -3.185
    8    H    THR   2           H        THR   2  -4.350   4.662  -3.061
    9    HA   THR   2           HA       THR   2  -2.309   2.716  -3.827
   10    HB   THR   2           HB       THR   2  -3.259   3.166  -0.949
   11    HG1  THR   2          1HG       THR   2  -0.836   3.771  -2.492
   12   1HG2  THR   2          1HG2      THR   2  -1.272   1.715  -0.435
   13   2HG2  THR   2          2HG2      THR   2  -2.493   0.838  -1.388
   14   3HG2  THR   2          3HG2      THR   2  -1.027   1.463  -2.180
   15    H    CYS   3           H        CYS   3  -3.375   1.210  -4.938
   16    HA   CYS   3           HA       CYS   3  -6.128   0.683  -4.143
   17   1HB   CYS   3          1HB       CYS   3  -4.672  -0.224  -6.634
   18   2HB   CYS   3          2HB       CYS   3  -6.384  -0.390  -6.298
   19    H    CYS   4           H        CYS   4  -6.586  -1.175  -2.999
   20    HA   CYS   4           HA       CYS   4  -4.729  -3.401  -3.261
   21   1HB   CYS   4          1HB       CYS   4  -4.868  -1.712  -0.966
   22   2HB   CYS   4          2HB       CYS   4  -5.554  -3.265  -0.532
   23    HA   PRO   5           HA       PRO   5  -8.473  -5.625  -3.159
   24   1HB   PRO   5          1HB       PRO   5  -7.776  -8.022  -2.046
   25   2HB   PRO   5          2HB       PRO   5  -7.443  -7.608  -3.716
   26   1HG   PRO   5          1HG       PRO   5  -5.577  -7.719  -1.426
   27   2HG   PRO   5          2HG       PRO   5  -5.213  -7.729  -3.140
   28   1HD   PRO   5          1HD       PRO   5  -4.939  -5.513  -1.340
   29   2HD   PRO   5          2HD       PRO   5  -4.686  -5.492  -3.074
   30    H    SER   6           H        SER   6  -6.835  -5.325  -0.121
   31    HA   SER   6           HA       SER   6  -9.409  -4.918   1.076
   32   1HB   SER   6          1HB       SER   6  -9.084  -6.537   2.880
   33   2HB   SER   6          2HB       SER   6  -9.030  -7.368   1.338
   34    HG   SER   6           HG       SER   6  -6.775  -7.543   1.474
   35    H    ILE   7           H        ILE   7  -9.067  -4.182   3.484
   36    HA   ILE   7           HA       ILE   7  -6.962  -2.235   3.434
   37    HB   ILE   7           HB       ILE   7  -9.313  -1.850   4.223
   38   1HG1  ILE   7          1HG1      ILE   7  -7.055  -0.578   4.852
   39   2HG1  ILE   7          2HG1      ILE   7  -8.618  -0.099   5.482
   40   1HG2  ILE   7          1HG2      ILE   7  -9.807  -2.454   6.585
   41   2HG2  ILE   7          2HG2      ILE   7  -9.710  -3.854   5.490
   42   3HG2  ILE   7          3HG2      ILE   7  -8.356  -3.486   6.586
   43   1HD1  ILE   7          1HD1      ILE   7  -8.240  -1.269   7.572
   44   2HD1  ILE   7          2HD1      ILE   7  -6.785  -2.063   6.925
   45   3HD1  ILE   7          3HD1      ILE   7  -6.780  -0.309   7.231
   46    H    VAL   8           H        VAL   8  -7.541  -5.445   4.774
   47    HA   VAL   8           HA       VAL   8  -5.676  -5.308   6.870
   48    HB   VAL   8           HB       VAL   8  -6.819  -7.586   5.249
   49   1HG1  VAL   8          1HG1      VAL   8  -6.035  -9.028   7.172
   50   2HG1  VAL   8          2HG1      VAL   8  -4.748  -8.413   6.108
   51   3HG1  VAL   8          3HG1      VAL   8  -5.028  -7.657   7.695
   52   1HG2  VAL   8          1HG2      VAL   8  -7.458  -6.522   8.021
   53   2HG2  VAL   8          2HG2      VAL   8  -8.467  -6.362   6.564
   54   3HG2  VAL   8          3HG2      VAL   8  -8.183  -7.967   7.278
   55    H    ALA   9           H        ALA   9  -5.409  -5.708   3.363
   56    HA   ALA   9           HA       ALA   9  -2.817  -6.843   3.383
   57   1HB   ALA   9          1HB       ALA   9  -4.369  -7.036   1.486
   58   2HB   ALA   9          2HB       ALA   9  -4.333  -5.271   1.260
   59   3HB   ALA   9          3HB       ALA   9  -2.862  -6.235   0.980
   60    H    ARG  10           H        ARG  10  -4.099  -3.656   3.990
   61    HA   ARG  10           HA       ARG  10  -1.612  -2.404   3.298
   62   1HB   ARG  10          1HB       ARG  10  -4.063  -1.178   4.655
   63   2HB   ARG  10          2HB       ARG  10  -2.757  -0.300   3.885
   64   1HG   ARG  10          1HG       ARG  10  -3.391  -1.634   1.724
   65   2HG   ARG  10          2HG       ARG  10  -4.875  -2.036   2.564
   66   1HD   ARG  10          1HD       ARG  10  -5.091   0.545   2.996
   67   2HD   ARG  10          2HD       ARG  10  -3.872   0.717   1.749
   68    HE   ARG  10           HE       ARG  10  -6.244  -0.949   1.091
   69   1HH1  ARG  10          2HH2      ARG  10  -5.012   2.330   1.051
   70   2HH1  ARG  10          1HH2      ARG  10  -5.503   2.645  -0.580
   71   1HH2  ARG  10          2HH1      ARG  10  -7.198  -0.429  -0.937
   72   2HH2  ARG  10          1HH1      ARG  10  -6.845   1.091  -1.688
   73    H    SER  11           H        SER  11  -2.334  -4.407   5.698
   74    HA   SER  11           HA       SER  11  -1.925  -2.900   8.014
   75   1HB   SER  11          1HB       SER  11  -2.976  -5.139   8.017
   76   2HB   SER  11          2HB       SER  11  -1.481  -5.868   7.465
   77    HG   SER  11           HG       SER  11  -0.471  -5.344   9.443
   78    H    ASN  12           H        ASN  12   0.195  -4.176   5.519
   79    HA   ASN  12           HA       ASN  12   2.506  -4.254   7.143
   80   1HB   ASN  12          1HB       ASN  12   2.320  -4.031   4.094
   81   2HB   ASN  12          2HB       ASN  12   3.702  -4.607   5.006
   82   1HD2  ASN  12          2HD2      ASN  12   0.594  -5.323   3.715
   83   2HD2  ASN  12          1HD2      ASN  12   0.501  -7.001   4.134
   84    H    PHE  13           H        PHE  13   0.630  -1.813   5.495
   85    HA   PHE  13           HA       PHE  13   2.803  -0.005   5.042
   86   1HB   PHE  13          1HB       PHE  13   0.433  -0.309   3.872
   87   2HB   PHE  13          2HB       PHE  13  -0.197   0.591   5.237
   88    HD1  PHE  13          1HD       PHE  13   1.966   0.781   2.269
   89    HD2  PHE  13          2HD       PHE  13   0.151   2.957   5.429
   90    HE1  PHE  13          1HE       PHE  13   2.522   2.935   1.106
   91    HE2  PHE  13          2HE       PHE  13   0.707   5.110   4.265
   92    HZ   PHE  13           HZ       PHE  13   1.886   5.073   2.118
   93    H    ASN  14           H        ASN  14   1.259  -1.080   7.833
   94    HA   ASN  14           HA       ASN  14   0.818   1.359   9.127
   95   1HB   ASN  14          1HB       ASN  14   1.335  -1.470  10.176
   96   2HB   ASN  14          2HB       ASN  14   0.912  -0.134  11.229
   97   1HD2  ASN  14          2HD2      ASN  14  -0.599  -2.452  10.986
   98   2HD2  ASN  14          1HD2      ASN  14  -2.154  -2.060  10.332
   99    H    VAL  15           H        VAL  15   3.653  -0.373   8.184
  100    HA   VAL  15           HA       VAL  15   5.271   0.604  10.386
  101    HB   VAL  15           HB       VAL  15   5.995  -1.009   7.931
  102   1HG1  VAL  15          1HG1      VAL  15   7.970   0.029   8.768
  103   2HG1  VAL  15          2HG1      VAL  15   7.523  -0.318  10.456
  104   3HG1  VAL  15          3HG1      VAL  15   7.986  -1.647   9.366
  105   1HG2  VAL  15          1HG2      VAL  15   5.285  -1.887  10.749
  106   2HG2  VAL  15          2HG2      VAL  15   4.405  -2.257   9.246
  107   3HG2  VAL  15          3HG2      VAL  15   6.025  -2.941   9.521
  108    H    CYS  16           H        CYS  16   4.099   1.644   7.321
  109    HA   CYS  16           HA       CYS  16   6.422   3.278   6.786
  110   1HB   CYS  16          1HB       CYS  16   4.085   2.350   5.288
  111   2HB   CYS  16          2HB       CYS  16   4.442   4.044   5.014
  112    H    ARG  17           H        ARG  17   2.942   3.529   7.744
  113    HA   ARG  17           HA       ARG  17   2.911   6.303   7.822
  114   1HB   ARG  17          1HB       ARG  17   0.760   6.066   8.870
  115   2HB   ARG  17          2HB       ARG  17   0.913   4.676   7.814
  116   1HG   ARG  17          1HG       ARG  17   1.818   3.376   9.845
  117   2HG   ARG  17          2HG       ARG  17   1.345   4.744  10.832
  118   1HD   ARG  17          1HD       ARG  17  -0.560   3.180   9.021
  119   2HD   ARG  17          2HD       ARG  17  -0.408   2.933  10.749
  120    HE   ARG  17           HE       ARG  17  -1.807   5.118   9.431
  121   1HH1  ARG  17          2HH2      ARG  17  -0.225   4.098  12.401
  122   2HH1  ARG  17          1HH2      ARG  17  -0.896   5.381  13.352
  123   1HH2  ARG  17          2HH1      ARG  17  -2.696   6.814  10.685
  124   2HH2  ARG  17          1HH1      ARG  17  -2.357   6.902  12.381
  125    H    LEU  18           H        LEU  18   4.274   3.885   9.937
  126    HA   LEU  18           HA       LEU  18   4.253   5.649  12.242
  127   1HB   LEU  18          1HB       LEU  18   4.513   2.804  11.744
  128   2HB   LEU  18          2HB       LEU  18   5.795   3.386  12.788
  129    HG   LEU  18           HG       LEU  18   4.077   4.378  14.298
  130   1HD1  LEU  18          1HD1      LEU  18   2.162   3.049  12.371
  131   2HD1  LEU  18          2HD1      LEU  18   1.717   3.533  14.025
  132   3HD1  LEU  18          3HD1      LEU  18   2.237   4.763  12.848
  133   1HD2  LEU  18          1HD2      LEU  18   5.058   2.198  14.781
  134   2HD2  LEU  18          2HD2      LEU  18   3.351   2.255  15.285
  135   3HD2  LEU  18          3HD2      LEU  18   3.810   1.401  13.792
  136    HA   PRO  19           HA       PRO  19   8.277   7.090  11.648
  137   1HB   PRO  19          1HB       PRO  19   9.290   7.272  14.180
  138   2HB   PRO  19          2HB       PRO  19   8.182   8.449  13.504
  139   1HG   PRO  19          1HG       PRO  19   7.647   6.332  15.496
  140   2HG   PRO  19          2HG       PRO  19   6.698   7.759  15.129
  141   1HD   PRO  19          1HD       PRO  19   6.133   5.066  14.317
  142   2HD   PRO  19          2HD       PRO  19   5.250   6.508  13.855
  143    H    GLY  20           H        GLY  20   8.563   4.902  10.513
  144   1HA   GLY  20          1HA       GLY  20  10.963   3.726  11.756
  145   2HA   GLY  20          2HA       GLY  20   9.650   2.696  11.221
  146    H    THR  21           H        THR  21   8.814   3.390   8.833
  147    HA   THR  21           HA       THR  21   9.307   3.240   6.665
  148    HB   THR  21           HB       THR  21  11.570   5.200   7.269
  149    HG1  THR  21          1HG       THR  21   8.647   5.438   7.150
  150   1HG2  THR  21          1HG2      THR  21   9.475   5.017   5.039
  151   2HG2  THR  21          2HG2      THR  21  10.725   6.276   5.187
  152   3HG2  THR  21          3HG2      THR  21  11.194   4.590   4.862
  153    H    SER  22           H        SER  22  10.131   1.010   7.824
  154    HA   SER  22           HA       SER  22  12.906   0.602   7.515
  155   1HB   SER  22          1HB       SER  22  11.624  -0.714   9.129
  156   2HB   SER  22          2HB       SER  22  10.570  -1.324   7.869
  157    HG   SER  22           HG       SER  22  12.185  -2.632   7.072
  158    H    GLU  23           H        GLU  23   9.941  -0.424   5.680
  159    HA   GLU  23           HA       GLU  23  11.593  -1.476   3.594
  160   1HB   GLU  23          1HB       GLU  23   8.563  -1.143   3.657
  161   2HB   GLU  23          2HB       GLU  23   9.475  -2.162   2.561
  162   1HG   GLU  23          1HG       GLU  23   9.172  -2.500   5.576
  163   2HG   GLU  23          2HG       GLU  23   8.600  -3.584   4.324
  164    HE2  GLU  23           HE       GLU  23  10.211  -4.350   2.965
  165    H    ALA  24           H        ALA  24   9.787   1.474   4.361
  166    HA   ALA  24           HA       ALA  24   9.815   3.471   3.386
  167   1HB   ALA  24          1HB       ALA  24  12.215   2.634   2.699
  168   2HB   ALA  24          2HB       ALA  24  11.489   2.482   1.081
  169   3HB   ALA  24          3HB       ALA  24  11.514   4.062   1.900
  170    H    ILE  25           H        ILE  25   9.988   1.130   0.603
  171    HA   ILE  25           HA       ILE  25   7.622   2.404  -0.493
  172    HB   ILE  25           HB       ILE  25   9.278   0.189  -1.689
  173   1HG1  ILE  25          1HG1      ILE  25   9.965   2.683  -2.851
  174   2HG1  ILE  25          2HG1      ILE  25  10.086   2.894  -1.116
  175   1HG2  ILE  25          1HG2      ILE  25   7.536   2.304  -2.982
  176   2HG2  ILE  25          2HG2      ILE  25   8.391   0.972  -3.796
  177   3HG2  ILE  25          3HG2      ILE  25   7.051   0.619  -2.679
  178   1HD1  ILE  25          1HD1      ILE  25  11.490   0.822  -0.970
  179   2HD1  ILE  25          2HD1      ILE  25  11.404   0.670  -2.741
  180   3HD1  ILE  25          3HD1      ILE  25  12.224   2.068  -2.007
  181    H    CYS  26           H        CYS  26   6.605   1.468   1.676
  182    HA   CYS  26           HA       CYS  26   6.105  -1.270   1.810
  183   1HB   CYS  26          1HB       CYS  26   4.324   0.922   2.880
  184   2HB   CYS  26          2HB       CYS  26   4.439  -0.733   3.445
  185    H    ALA  27           H        ALA  27   4.559   1.479   0.109
  186    HA   ALA  27           HA       ALA  27   2.123   0.510  -0.536
  187   1HB   ALA  27          1HB       ALA  27   2.367   1.848  -2.629
  188   2HB   ALA  27          2HB       ALA  27   2.943   2.717  -1.187
  189   3HB   ALA  27          3HB       ALA  27   4.112   1.982  -2.310
  190    H    THR  28           H        THR  28   5.307  -0.478  -1.867
  191    HA   THR  28           HA       THR  28   3.992  -2.317  -3.704
  192    HB   THR  28           HB       THR  28   6.944  -1.669  -3.196
  193    HG1  THR  28          1HG       THR  28   6.507  -0.290  -5.081
  194   1HG2  THR  28          1HG2      THR  28   6.540  -3.819  -4.459
  195   2HG2  THR  28          2HG2      THR  28   5.517  -2.918  -5.603
  196   3HG2  THR  28          3HG2      THR  28   7.256  -2.556  -5.488
  197    H    TYR  29           H        TYR  29   5.835  -2.292  -0.646
  198    HA   TYR  29           HA       TYR  29   5.894  -5.194  -0.632
  199   1HB   TYR  29          1HB       TYR  29   7.607  -3.254   0.216
  200   2HB   TYR  29          2HB       TYR  29   6.604  -3.300   1.652
  201    HD1  TYR  29          1HD       TYR  29   6.858  -5.018   3.277
  202    HD2  TYR  29          2HD       TYR  29   8.803  -5.375  -0.517
  203    HE1  TYR  29          1HE       TYR  29   8.199  -6.997   4.142
  204    HE2  TYR  29          2HE       TYR  29  10.137  -7.353   0.361
  205    HH   TYR  29           HH       TYR  29  10.554  -8.636   2.040
  206    H    THR  30           H        THR  30   3.256  -3.845  -0.631
  207    HA   THR  30           HA       THR  30   2.281  -5.019   1.861
  208    HB   THR  30           HB       THR  30   2.665  -2.468   2.086
  209    HG1  THR  30          1HG       THR  30   0.022  -3.742   2.151
  210   1HG2  THR  30          1HG2      THR  30   0.048  -2.185   0.612
  211   2HG2  THR  30          2HG2      THR  30   1.309  -0.965   0.911
  212   3HG2  THR  30          3HG2      THR  30   1.539  -2.191  -0.359
  213    H    GLY  31           H        GLY  31   2.404  -5.532  -1.208
  214   1HA   GLY  31          1HA       GLY  31   0.987  -6.844  -2.442
  215   2HA   GLY  31          2HA       GLY  31  -0.336  -6.476  -1.353
  216    H    CYS  32           H        CYS  32  -0.109  -3.571  -1.380
  217    HA   CYS  32           HA       CYS  32  -1.646  -3.052  -3.654
  218   1HB   CYS  32          1HB       CYS  32  -0.233  -0.950  -2.022
  219   2HB   CYS  32          2HB       CYS  32  -1.733  -0.808  -2.915
  220    H    ILE  33           H        ILE  33  -0.838  -0.829  -4.957
  221    HA   ILE  33           HA       ILE  33   1.943  -1.247  -5.746
  222    HB   ILE  33           HB       ILE  33   1.354  -1.208  -8.098
  223   1HG1  ILE  33          1HG1      ILE  33  -0.935  -0.007  -7.493
  224   2HG1  ILE  33          2HG1      ILE  33  -0.730  -0.935  -8.966
  225   1HG2  ILE  33          1HG2      ILE  33   0.356  -3.466  -8.254
  226   2HG2  ILE  33          2HG2      ILE  33   1.662  -3.364  -7.049
  227   3HG2  ILE  33          3HG2      ILE  33  -0.037  -3.389  -6.520
  228   1HD1  ILE  33          1HD1      ILE  33  -1.793  -2.893  -7.978
  229   2HD1  ILE  33          2HD1      ILE  33  -1.819  -2.121  -6.374
  230   3HD1  ILE  33          3HD1      ILE  33  -2.842  -1.485  -7.684
  231    H    ILE  34           H        ILE  34   2.453   0.637  -7.484
  232    HA   ILE  34           HA       ILE  34   1.532   3.065  -6.140
  233    HB   ILE  34           HB       ILE  34   3.951   2.510  -7.860
  234   1HG1  ILE  34          1HG1      ILE  34   3.770   3.106  -4.893
  235   2HG1  ILE  34          2HG1      ILE  34   3.939   1.498  -5.568
  236   1HG2  ILE  34          1HG2      ILE  34   3.117   4.803  -8.176
  237   2HG2  ILE  34          2HG2      ILE  34   3.182   5.061  -6.416
  238   3HG2  ILE  34          3HG2      ILE  34   4.681   4.765  -7.328
  239   1HD1  ILE  34          1HD1      ILE  34   5.908   3.810  -5.742
  240   2HD1  ILE  34          2HD1      ILE  34   6.166   2.193  -5.046
  241   3HD1  ILE  34          3HD1      ILE  34   6.027   2.391  -6.809
  242    H    ILE  35           H        ILE  35  -0.075   4.182  -7.091
  243    HA   ILE  35           HA       ILE  35  -0.442   3.799  -9.966
  244    HB   ILE  35           HB       ILE  35  -2.684   4.394  -9.663
  245   1HG1  ILE  35          1HG1      ILE  35  -1.855   5.480  -6.965
  246   2HG1  ILE  35          2HG1      ILE  35  -2.532   6.358  -8.322
  247   1HG2  ILE  35          1HG2      ILE  35  -2.120   2.856  -7.131
  248   2HG2  ILE  35          2HG2      ILE  35  -3.492   2.707  -8.255
  249   3HG2  ILE  35          3HG2      ILE  35  -1.876   2.144  -8.744
  250   1HD1  ILE  35          1HD1      ILE  35  -4.375   6.064  -6.855
  251   2HD1  ILE  35          2HD1      ILE  35  -4.601   4.789  -8.077
  252   3HD1  ILE  35          3HD1      ILE  35  -3.922   4.384  -6.482
  253    HA   PRO  36           HA       PRO  36   0.780   7.857 -10.777
  254   1HB   PRO  36          1HB       PRO  36  -0.682   8.487 -12.998
  255   2HB   PRO  36          2HB       PRO  36   0.765   7.500 -13.052
  256   1HG   PRO  36          1HG       PRO  36  -2.060   6.660 -13.283
  257   2HG   PRO  36          2HG       PRO  36  -0.613   5.788 -13.749
  258   1HD   PRO  36          1HD       PRO  36  -2.219   5.326 -11.418
  259   2HD   PRO  36          2HD       PRO  36  -0.710   4.533 -11.825
  260    H    GLY  37           H        GLY  37  -2.724   7.723 -11.257
  261   1HA   GLY  37          1HA       GLY  37  -3.084   9.695  -9.174
  262   2HA   GLY  37          2HA       GLY  37  -3.391  10.295 -10.791
  263    H    ALA  38           H        ALA  38  -4.474   8.121  -8.218
  264    HA   ALA  38           HA       ALA  38  -6.280   6.832  -7.991
  265   1HB   ALA  38          1HB       ALA  38  -7.168   9.124  -7.719
  266   2HB   ALA  38          2HB       ALA  38  -7.526   9.191  -9.461
  267   3HB   ALA  38          3HB       ALA  38  -8.389   8.035  -8.419
  268    H    THR  39           H        THR  39  -4.767   5.806 -10.031
  269    HA   THR  39           HA       THR  39  -6.851   4.914 -11.895
  270    HB   THR  39           HB       THR  39  -4.033   5.913 -12.552
  271    HG1  THR  39          1HG       THR  39  -5.685   7.538 -12.479
  272   1HG2  THR  39          1HG2      THR  39  -6.132   4.548 -14.320
  273   2HG2  THR  39          2HG2      THR  39  -4.693   5.399 -14.930
  274   3HG2  THR  39          3HG2      THR  39  -4.506   3.921 -13.957
  275    H    CYS  40           H        CYS  40  -7.136   3.028 -10.653
  276    HA   CYS  40           HA       CYS  40  -4.930   1.449  -9.894
  277   1HB   CYS  40          1HB       CYS  40  -7.809   0.588 -10.227
  278   2HB   CYS  40          2HB       CYS  40  -6.566  -0.229  -9.300
  279    HA   PRO  41           HA       PRO  41  -4.308  -0.718 -13.621
  280   1HB   PRO  41          1HB       PRO  41  -3.315  -3.110 -12.749
  281   2HB   PRO  41          2HB       PRO  41  -2.348  -1.653 -12.857
  282   1HG   PRO  41          1HG       PRO  41  -3.465  -2.962 -10.453
  283   2HG   PRO  41          2HG       PRO  41  -2.173  -1.783 -10.561
  284   1HD   PRO  41          1HD       PRO  41  -4.874  -1.297  -9.727
  285   2HD   PRO  41          2HD       PRO  41  -3.613  -0.100  -9.946
  286    H    GLY  42           H        GLY  42  -6.554  -1.831 -11.360
  287   1HA   GLY  42          1HA       GLY  42  -8.666  -2.563 -12.121
  288   2HA   GLY  42          2HA       GLY  42  -7.912  -3.294 -13.525
  289    H    ASP  43           H        ASP  43  -5.640  -4.195 -11.490
  290    HA   ASP  43           HA       ASP  43  -6.476  -6.790 -11.285
  291   1HB   ASP  43          1HB       ASP  43  -4.457  -5.249  -9.588
  292   2HB   ASP  43          2HB       ASP  43  -4.596  -6.996  -9.583
  293    HD2  ASP  43           HD       ASP  43  -2.133  -5.524 -12.090
  294    H    TYR  44           H        TYR  44  -6.537  -4.048  -8.917
  295    HA   TYR  44           HA       TYR  44  -8.087  -5.737  -7.081
  296   1HB   TYR  44          1HB       TYR  44  -6.596  -3.052  -6.801
  297   2HB   TYR  44          2HB       TYR  44  -7.378  -3.882  -5.471
  298    HD1  TYR  44          1HD       TYR  44  -4.311  -3.066  -6.323
  299    HD2  TYR  44          2HD       TYR  44  -6.550  -6.685  -5.878
  300    HE1  TYR  44          1HE       TYR  44  -2.165  -4.345  -5.852
  301    HE2  TYR  44          2HE       TYR  44  -4.396  -7.951  -5.410
  302    HH   TYR  44           HH       TYR  44  -1.316  -6.233  -5.146
  303    H    ALA  45           H        ALA  45  -8.017  -2.634  -8.890
  304    HA   ALA  45           HA       ALA  45  -9.569  -1.090  -9.248
  305   1HB   ALA  45          1HB       ALA  45 -10.499  -3.017 -10.504
  306   2HB   ALA  45          2HB       ALA  45 -11.433  -3.492  -9.065
  307   3HB   ALA  45          3HB       ALA  45 -11.782  -1.950  -9.883
  308    H    ASN  46           H        ASN  46  -8.813  -0.583  -6.837
  309    HA   ASN  46           HA       ASN  46 -11.302  -0.255  -5.387
  310   1HB   ASN  46          1HB       ASN  46 -10.092  -2.171  -4.331
  311   2HB   ASN  46          2HB       ASN  46  -8.649  -1.189  -4.169
  312   1HD2  ASN  46          2HD2      ASN  46  -9.206  -2.101  -1.917
  313   2HD2  ASN  46          1HD2      ASN  46 -10.093  -1.053  -0.861
  Start of MODEL    2
    1    H    THR   1           H        THR   1   0.072  -3.496   6.111
    2    HA   THR   1           HA       THR   1   2.291  -3.714   6.883
    3    HB   THR   1           HB       THR   1   2.156  -6.514   5.646
    4    HG1  THR   1          1HG       THR   1   1.010  -6.706   7.553
    5   1HG2  THR   1          1HG2      THR   1   4.157  -5.174   7.542
    6   2HG2  THR   1          2HG2      THR   1   4.184  -6.888   7.066
    7   3HG2  THR   1          3HG2      THR   1   4.482  -5.622   5.851
    8    H    THR   2           H        THR   2   1.667  -2.023   5.124
    9    HA   THR   2           HA       THR   2   3.498  -2.536   2.904
   10    HB   THR   2           HB       THR   2   1.465  -1.193   1.629
   11    HG1  THR   2          1HG       THR   2   0.345  -3.145   3.511
   12   1HG2  THR   2          1HG2      THR   2   0.716  -3.372   0.729
   13   2HG2  THR   2          2HG2      THR   2   2.491  -3.377   0.868
   14   3HG2  THR   2          3HG2      THR   2   1.501  -4.224   2.081
   15    H    CYS   3           H        CYS   3   4.279  -0.571   1.863
   16    HA   CYS   3           HA       CYS   3   3.867   1.785   3.544
   17   1HB   CYS   3          1HB       CYS   3   6.416   0.393   2.908
   18   2HB   CYS   3          2HB       CYS   3   6.435   2.144   2.849
   19    H    CYS   4           H        CYS   4   4.063   3.808   2.352
   20    HA   CYS   4           HA       CYS   4   4.419   3.513  -0.521
   21   1HB   CYS   4          1HB       CYS   4   2.208   5.305   0.262
   22   2HB   CYS   4          2HB       CYS   4   2.392   4.278  -1.146
   23    HA   PRO   5           HA       PRO   5   6.458   7.319   0.053
   24   1HB   PRO   5          1HB       PRO   5   6.135   8.587  -2.346
   25   2HB   PRO   5          2HB       PRO   5   7.309   7.311  -2.086
   26   1HG   PRO   5          1HG       PRO   5   4.726   7.190  -3.519
   27   2HG   PRO   5          2HG       PRO   5   6.082   6.085  -3.607
   28   1HD   PRO   5          1HD       PRO   5   3.620   5.672  -2.194
   29   2HD   PRO   5          2HD       PRO   5   5.021   4.620  -2.188
   30    H    SER   6           H        SER   6   3.152   7.507  -0.949
   31    HA   SER   6           HA       SER   6   3.056  10.055   0.468
   32   1HB   SER   6          1HB       SER   6   1.249  10.766  -1.029
   33   2HB   SER   6          2HB       SER   6   2.666  10.340  -1.970
   34    HG   SER   6           HG       SER   6   1.707   8.403  -2.613
   35    H    ILE   7           H        ILE   7   1.163  10.407   1.820
   36    HA   ILE   7           HA       ILE   7   0.185   8.004   2.974
   37    HB   ILE   7           HB       ILE   7  -0.983   9.466   4.492
   38   1HG1  ILE   7          1HG1      ILE   7  -0.136  11.778   2.724
   39   2HG1  ILE   7          2HG1      ILE   7  -1.755  11.112   2.785
   40   1HG2  ILE   7          1HG2      ILE   7   0.882  10.498   5.512
   41   2HG2  ILE   7          2HG2      ILE   7   1.516   9.076   4.651
   42   3HG2  ILE   7          3HG2      ILE   7   1.722  10.701   3.956
   43   1HD1  ILE   7          1HD1      ILE   7  -1.754  12.994   4.280
   44   2HD1  ILE   7          2HD1      ILE   7  -1.720  11.549   5.319
   45   3HD1  ILE   7          3HD1      ILE   7  -0.228  12.478   5.038
   46    H    VAL   8           H        VAL   8  -0.832  10.137   0.383
   47    HA   VAL   8           HA       VAL   8  -3.587   9.600   0.494
   48    HB   VAL   8           HB       VAL   8  -1.717  10.452  -1.719
   49   1HG1  VAL   8          1HG1      VAL   8  -4.739  10.196  -1.738
   50   2HG1  VAL   8          2HG1      VAL   8  -3.824  11.182  -2.904
   51   3HG1  VAL   8          3HG1      VAL   8  -3.567   9.422  -2.832
   52   1HG2  VAL   8          1HG2      VAL   8  -2.782  12.666  -1.351
   53   2HG2  VAL   8          2HG2      VAL   8  -3.690  11.976   0.016
   54   3HG2  VAL   8          3HG2      VAL   8  -1.914  12.068   0.083
   55    H    ALA   9           H        ALA   9  -0.778   7.925  -0.982
   56    HA   ALA   9           HA       ALA   9  -2.325   6.104  -2.483
   57   1HB   ALA   9          1HB       ALA   9  -0.017   6.561  -3.052
   58   2HB   ALA   9          2HB       ALA   9   0.532   6.051  -1.437
   59   3HB   ALA   9          3HB       ALA   9  -0.139   4.852  -2.569
   60    H    ARG  10           H        ARG  10  -1.132   6.233   0.883
   61    HA   ARG  10           HA       ARG  10  -1.676   3.529   1.393
   62   1HB   ARG  10          1HB       ARG  10  -0.248   5.435   2.697
   63   2HB   ARG  10          2HB       ARG  10  -1.732   5.561   3.620
   64   1HG   ARG  10          1HG       ARG  10  -1.652   3.197   4.224
   65   2HG   ARG  10          2HG       ARG  10  -0.333   2.898   3.109
   66   1HD   ARG  10          1HD       ARG  10  -0.145   4.778   5.513
   67   2HD   ARG  10          2HD       ARG  10   0.403   3.113   5.523
   68    HE   ARG  10           HE       ARG  10   1.566   4.527   3.288
   69   1HH1  ARG  10          2HH2      ARG  10   1.879   3.984   6.749
   70   2HH1  ARG  10          1HH2      ARG  10   3.544   4.457   6.801
   71   1HH2  ARG  10          2HH1      ARG  10   3.654   5.515   3.451
   72   2HH2  ARG  10          1HH1      ARG  10   4.616   5.136   4.841
   73    H    SER  11           H        SER  11  -3.504   6.594   1.590
   74    HA   SER  11           HA       SER  11  -5.585   5.561   3.160
   75   1HB   SER  11          1HB       SER  11  -6.695   7.637   2.734
   76   2HB   SER  11          2HB       SER  11  -4.985   8.016   2.800
   77    HG   SER  11           HG       SER  11  -6.153   9.001   0.970
   78    H    ASN  12           H        ASN  12  -4.848   5.668  -0.330
   79    HA   ASN  12           HA       ASN  12  -7.464   4.973  -1.122
   80   1HB   ASN  12          1HB       ASN  12  -4.763   4.806  -2.557
   81   2HB   ASN  12          2HB       ASN  12  -6.291   4.472  -3.348
   82   1HD2  ASN  12          2HD2      ASN  12  -4.318   6.531  -3.890
   83   2HD2  ASN  12          1HD2      ASN  12  -5.121   8.062  -3.784
   84    H    PHE  13           H        PHE  13  -4.473   3.298  -0.154
   85    HA   PHE  13           HA       PHE  13  -5.046   0.792  -1.275
   86   1HB   PHE  13          1HB       PHE  13  -2.861   1.818  -0.260
   87   2HB   PHE  13          2HB       PHE  13  -3.543   1.475   1.318
   88    HD1  PHE  13          1HD       PHE  13  -1.785   0.128  -1.511
   89    HD2  PHE  13          2HD       PHE  13  -4.026  -0.924   1.936
   90    HE1  PHE  13          1HE       PHE  13  -0.847  -2.198  -1.611
   91    HE2  PHE  13          2HE       PHE  13  -3.088  -3.250   1.836
   92    HZ   PHE  13           HZ       PHE  13  -1.510  -3.859   0.064
   93    H    ASN  14           H        ASN  14  -6.387   2.519   1.447
   94    HA   ASN  14           HA       ASN  14  -6.980   0.434   3.125
   95   1HB   ASN  14          1HB       ASN  14  -8.489   3.025   2.514
   96   2HB   ASN  14          2HB       ASN  14  -8.955   1.955   3.821
   97   1HD2  ASN  14          2HD2      ASN  14  -8.242   4.558   4.273
   98   2HD2  ASN  14          1HD2      ASN  14  -6.755   4.639   5.158
   99    H    VAL  15           H        VAL  15  -8.318   1.439   0.009
  100    HA   VAL  15           HA       VAL  15 -10.859   0.270   0.234
  101    HB   VAL  15           HB       VAL  15  -9.108   0.863  -2.159
  102   1HG1  VAL  15          1HG1      VAL  15 -12.067   0.201  -2.009
  103   2HG1  VAL  15          2HG1      VAL  15 -11.240   0.844  -3.448
  104   3HG1  VAL  15          3HG1      VAL  15 -10.792  -0.753  -2.802
  105   1HG2  VAL  15          1HG2      VAL  15 -10.682   2.853  -2.345
  106   2HG2  VAL  15          2HG2      VAL  15 -11.223   2.462  -0.694
  107   3HG2  VAL  15          3HG2      VAL  15  -9.522   2.893  -0.996
  108    H    CYS  16           H        CYS  16  -7.612  -0.996  -0.480
  109    HA   CYS  16           HA       CYS  16  -8.606  -3.474  -1.478
  110   1HB   CYS  16          1HB       CYS  16  -5.909  -2.357  -0.816
  111   2HB   CYS  16          2HB       CYS  16  -6.090  -4.091  -0.989
  112    H    ARG  17           H        ARG  17  -7.610  -2.035   1.633
  113    HA   ARG  17           HA       ARG  17  -7.348  -4.459   2.991
  114   1HB   ARG  17          1HB       ARG  17  -7.907  -1.613   3.956
  115   2HB   ARG  17          2HB       ARG  17  -7.620  -2.945   5.058
  116   1HG   ARG  17          1HG       ARG  17  -5.402  -3.361   3.893
  117   2HG   ARG  17          2HG       ARG  17  -5.687  -1.930   2.921
  118   1HD   ARG  17          1HD       ARG  17  -6.053  -0.761   5.300
  119   2HD   ARG  17          2HD       ARG  17  -5.123  -2.125   5.888
  120    HE   ARG  17           HE       ARG  17  -4.099   0.122   4.376
  121   1HH1  ARG  17          2HH2      ARG  17  -3.567  -3.267   5.142
  122   2HH1  ARG  17          1HH2      ARG  17  -1.960  -3.296   4.496
  123   1HH2  ARG  17          2HH1      ARG  17  -1.940   0.116   3.618
  124   2HH2  ARG  17          1HH1      ARG  17  -1.018  -1.350   3.647
  125    H    LEU  18           H        LEU  18 -10.064  -2.218   2.322
  126    HA   LEU  18           HA       LEU  18 -11.845  -3.472   4.157
  127   1HB   LEU  18          1HB       LEU  18 -11.897  -1.275   2.197
  128   2HB   LEU  18          2HB       LEU  18 -13.422  -2.116   2.394
  129    HG   LEU  18           HG       LEU  18 -13.204  -1.726   4.890
  130   1HD1  LEU  18          1HD1      LEU  18 -11.704   0.007   5.676
  131   2HD1  LEU  18          2HD1      LEU  18 -10.772  -1.305   4.914
  132   3HD1  LEU  18          3HD1      LEU  18 -11.043   0.220   4.038
  133   1HD2  LEU  18          1HD2      LEU  18 -13.456   0.637   3.013
  134   2HD2  LEU  18          2HD2      LEU  18 -14.755  -0.431   3.598
  135   3HD2  LEU  18          3HD2      LEU  18 -13.919   0.657   4.732
  136    HA   PRO  19           HA       PRO  19 -13.352  -6.660   1.669
  137   1HB   PRO  19          1HB       PRO  19 -16.001  -6.803   2.326
  138   2HB   PRO  19          2HB       PRO  19 -14.726  -7.457   3.336
  139   1HG   PRO  19          1HG       PRO  19 -16.317  -4.996   3.722
  140   2HG   PRO  19          2HG       PRO  19 -15.363  -5.882   4.895
  141   1HD   PRO  19          1HD       PRO  19 -14.641  -3.429   3.596
  142   2HD   PRO  19          2HD       PRO  19 -13.640  -4.375   4.680
  143    H    GLY  20           H        GLY  20 -14.292  -3.534   1.086
  144   1HA   GLY  20          1HA       GLY  20 -16.264  -3.697  -0.811
  145   2HA   GLY  20          2HA       GLY  20 -14.964  -2.522  -0.808
  146    H    THR  21           H        THR  21 -12.746  -3.399  -1.666
  147    HA   THR  21           HA       THR  21 -13.344  -4.931  -4.101
  148    HB   THR  21           HB       THR  21 -11.169  -2.910  -3.352
  149    HG1  THR  21          1HG       THR  21 -13.325  -3.069  -5.340
  150   1HG2  THR  21          1HG2      THR  21 -10.733  -3.040  -5.896
  151   2HG2  THR  21          2HG2      THR  21 -10.116  -4.410  -4.941
  152   3HG2  THR  21          3HG2      THR  21 -11.624  -4.581  -5.871
  153    H    SER  22           H        SER  22 -10.183  -4.453  -2.482
  154    HA   SER  22           HA       SER  22  -8.814  -5.871  -1.541
  155   1HB   SER  22          1HB       SER  22 -11.063  -6.924  -0.615
  156   2HB   SER  22          2HB       SER  22 -10.726  -8.205  -1.763
  157    HG   SER  22           HG       SER  22  -9.155  -7.363   0.499
  158    H    GLU  23           H        GLU  23 -10.846  -7.651  -3.985
  159    HA   GLU  23           HA       GLU  23  -9.087  -9.368  -4.961
  160   1HB   GLU  23          1HB       GLU  23 -11.134  -7.649  -6.395
  161   2HB   GLU  23          2HB       GLU  23 -10.195  -8.836  -7.277
  162   1HG   GLU  23          1HG       GLU  23 -10.974 -10.619  -5.691
  163   2HG   GLU  23          2HG       GLU  23 -11.930  -9.427  -4.832
  164    HE2  GLU  23           HE       GLU  23 -13.195 -11.383  -5.768
  165    H    ALA  24           H        ALA  24  -9.449  -6.010  -6.333
  166    HA   ALA  24           HA       ALA  24  -7.177  -6.171  -7.939
  167   1HB   ALA  24          1HB       ALA  24  -8.483  -3.720  -6.691
  168   2HB   ALA  24          2HB       ALA  24  -7.452  -3.751  -8.141
  169   3HB   ALA  24          3HB       ALA  24  -9.048  -4.537  -8.168
  170    H    ILE  25           H        ILE  25  -5.008  -5.673  -7.617
  171    HA   ILE  25           HA       ILE  25  -4.216  -5.543  -4.828
  172    HB   ILE  25           HB       ILE  25  -2.557  -5.894  -7.326
  173   1HG1  ILE  25          1HG1      ILE  25  -3.463  -8.057  -5.414
  174   2HG1  ILE  25          2HG1      ILE  25  -4.332  -7.667  -6.885
  175   1HG2  ILE  25          1HG2      ILE  25  -1.940  -5.892  -4.397
  176   2HG2  ILE  25          2HG2      ILE  25  -1.041  -6.989  -5.473
  177   3HG2  ILE  25          3HG2      ILE  25  -1.012  -5.233  -5.766
  178   1HD1  ILE  25          1HD1      ILE  25  -2.881  -9.405  -7.564
  179   2HD1  ILE  25          2HD1      ILE  25  -2.013  -7.939  -8.080
  180   3HD1  ILE  25          3HD1      ILE  25  -1.528  -8.782  -6.590
  181    H    CYS  26           H        CYS  26  -3.800  -3.649  -3.837
  182    HA   CYS  26           HA       CYS  26  -3.536  -1.303  -5.504
  183   1HB   CYS  26          1HB       CYS  26  -3.751  -1.588  -2.500
  184   2HB   CYS  26          2HB       CYS  26  -3.699  -0.068  -3.370
  185    H    ALA  27           H        ALA  27  -1.516  -3.718  -4.499
  186    HA   ALA  27           HA       ALA  27   0.652  -2.016  -3.586
  187   1HB   ALA  27          1HB       ALA  27   1.724  -4.032  -2.979
  188   2HB   ALA  27          2HB       ALA  27   0.003  -4.344  -2.651
  189   3HB   ALA  27          3HB       ALA  27   0.760  -4.995  -4.124
  190    H    THR  28           H        THR  28  -0.709  -2.218  -6.452
  191    HA   THR  28           HA       THR  28   1.641  -2.956  -8.007
  192    HB   THR  28           HB       THR  28   0.022  -2.644  -9.908
  193    HG1  THR  28          1HG       THR  28  -2.210  -2.118  -9.111
  194   1HG2  THR  28          1HG2      THR  28  -0.012  -4.838  -8.596
  195   2HG2  THR  28          2HG2      THR  28  -1.310  -4.145  -7.596
  196   3HG2  THR  28          3HG2      THR  28  -1.574  -4.412  -9.336
  197    H    TYR  29           H        TYR  29   0.079  -0.680  -9.806
  198    HA   TYR  29           HA       TYR  29   2.169   1.250  -9.225
  199   1HB   TYR  29          1HB       TYR  29   1.008   2.255 -11.355
  200   2HB   TYR  29          2HB       TYR  29   1.783   0.697 -11.564
  201    HD1  TYR  29          1HD       TYR  29  -1.499   2.371 -11.096
  202    HD2  TYR  29          2HD       TYR  29   0.524  -1.247 -12.156
  203    HE1  TYR  29          1HE       TYR  29  -3.685   1.389 -11.945
  204    HE2  TYR  29          2HE       TYR  29  -1.669  -2.217 -13.001
  205    HH   TYR  29           HH       TYR  29  -3.747  -1.780 -13.517
  206    H    THR  30           H        THR  30   0.235   1.015  -7.127
  207    HA   THR  30           HA       THR  30  -1.324   3.486  -7.497
  208    HB   THR  30           HB       THR  30  -1.771   1.296  -5.417
  209    HG1  THR  30          1HG       THR  30  -3.274   0.501  -7.113
  210   1HG2  THR  30          1HG2      THR  30  -3.698   3.205  -6.839
  211   2HG2  THR  30          2HG2      THR  30  -4.085   2.108  -5.491
  212   3HG2  THR  30          3HG2      THR  30  -3.025   3.512  -5.220
  213    H    GLY  31           H        GLY  31   1.585   3.323  -6.900
  214   1HA   GLY  31          1HA       GLY  31   2.843   4.786  -5.653
  215   2HA   GLY  31          2HA       GLY  31   1.503   5.035  -4.551
  216    H    CYS  32           H        CYS  32   0.800   2.612  -3.561
  217    HA   CYS  32           HA       CYS  32   2.962   2.028  -1.851
  218   1HB   CYS  32          1HB       CYS  32   0.388   0.482  -2.217
  219   2HB   CYS  32          2HB       CYS  32   1.483   0.385  -0.852
  220    H    ILE  33           H        ILE  33   3.966  -0.171  -1.608
  221    HA   ILE  33           HA       ILE  33   3.898  -1.727  -4.086
  222    HB   ILE  33           HB       ILE  33   6.314  -1.936  -4.061
  223   1HG1  ILE  33          1HG1      ILE  33   6.520   0.248  -2.000
  224   2HG1  ILE  33          2HG1      ILE  33   6.394  -1.427  -1.500
  225   1HG2  ILE  33          1HG2      ILE  33   6.861   0.233  -4.935
  226   2HG2  ILE  33          2HG2      ILE  33   5.182  -0.153  -5.383
  227   3HG2  ILE  33          3HG2      ILE  33   5.509   0.984  -4.053
  228   1HD1  ILE  33          1HD1      ILE  33   8.376  -2.023  -2.844
  229   2HD1  ILE  33          2HD1      ILE  33   8.478  -0.356  -3.460
  230   3HD1  ILE  33          3HD1      ILE  33   8.769  -0.688  -1.735
  231    H    ILE  34           H        ILE  34   5.636  -3.752  -3.415
  232    HA   ILE  34           HA       ILE  34   4.245  -4.895  -1.111
  233    HB   ILE  34           HB       ILE  34   5.765  -6.195  -3.374
  234   1HG1  ILE  34          1HG1      ILE  34   2.784  -6.137  -2.820
  235   2HG1  ILE  34          2HG1      ILE  34   3.595  -5.121  -3.995
  236   1HG2  ILE  34          1HG2      ILE  34   5.015  -8.312  -2.501
  237   2HG2  ILE  34          2HG2      ILE  34   5.916  -7.443  -1.235
  238   3HG2  ILE  34          3HG2      ILE  34   4.138  -7.505  -1.180
  239   1HD1  ILE  34          1HD1      ILE  34   2.789  -6.999  -5.237
  240   2HD1  ILE  34          2HD1      ILE  34   4.532  -7.298  -5.028
  241   3HD1  ILE  34          3HD1      ILE  34   3.353  -8.153  -4.005
  242    H    ILE  35           H        ILE  35   5.306  -5.423   0.754
  243    HA   ILE  35           HA       ILE  35   8.231  -5.173   0.677
  244    HB   ILE  35           HB       ILE  35   8.190  -4.101   2.822
  245   1HG1  ILE  35          1HG1      ILE  35   5.163  -4.221   2.691
  246   2HG1  ILE  35          2HG1      ILE  35   6.166  -5.237   3.708
  247   1HG2  ILE  35          1HG2      ILE  35   7.968  -2.759   0.710
  248   2HG2  ILE  35          2HG2      ILE  35   6.221  -2.658   1.034
  249   3HG2  ILE  35          3HG2      ILE  35   7.382  -1.953   2.185
  250   1HD1  ILE  35          1HD1      ILE  35   5.457  -3.413   5.098
  251   2HD1  ILE  35          2HD1      ILE  35   7.156  -3.072   4.690
  252   3HD1  ILE  35          3HD1      ILE  35   5.848  -2.212   3.844
  253    HA   PRO  36           HA       PRO  36   8.204  -9.043   2.586
  254   1HB   PRO  36          1HB       PRO  36  10.620  -9.056   3.863
  255   2HB   PRO  36          2HB       PRO  36  10.442  -9.362   2.147
  256   1HG   PRO  36          1HG       PRO  36  11.441  -6.932   3.502
  257   2HG   PRO  36          2HG       PRO  36  11.648  -7.422   1.832
  258   1HD   PRO  36          1HD       PRO  36   9.841  -5.427   2.825
  259   2HD   PRO  36          2HD       PRO  36   9.966  -5.999   1.173
  260    H    GLY  37           H        GLY  37   8.148 -10.327   4.580
  261   1HA   GLY  37          1HA       GLY  37   6.708  -8.851   6.556
  262   2HA   GLY  37          2HA       GLY  37   7.157 -10.545   6.600
  263    H    ALA  38           H        ALA  38   8.572  -7.220   6.921
  264    HA   ALA  38           HA       ALA  38   9.947  -8.052   9.299
  265   1HB   ALA  38          1HB       ALA  38  11.645  -8.844   7.880
  266   2HB   ALA  38          2HB       ALA  38  11.392  -7.543   6.691
  267   3HB   ALA  38          3HB       ALA  38  12.173  -7.185   8.250
  268    H    THR  39           H        THR  39  11.150  -5.484   7.159
  269    HA   THR  39           HA       THR  39   9.509  -3.508   8.555
  270    HB   THR  39           HB       THR  39  12.573  -3.495   8.463
  271    HG1  THR  39          1HG       THR  39  11.874  -4.905  10.108
  272   1HG2  THR  39          1HG2      THR  39  10.520  -1.638   9.776
  273   2HG2  THR  39          2HG2      THR  39  12.267  -1.606  10.115
  274   3HG2  THR  39          3HG2      THR  39  11.667  -1.191   8.491
  275    H    CYS  40           H        CYS  40   9.469  -1.408   7.500
  276    HA   CYS  40           HA       CYS  40   9.301  -1.716   4.721
  277   1HB   CYS  40          1HB       CYS  40   9.137   0.665   6.558
  278   2HB   CYS  40          2HB       CYS  40   9.042   0.842   4.817
  279    HA   PRO  41           HA       PRO  41  13.348  -0.592   3.570
  280   1HB   PRO  41          1HB       PRO  41  12.972   0.505   1.096
  281   2HB   PRO  41          2HB       PRO  41  13.001  -1.224   1.384
  282   1HG   PRO  41          1HG       PRO  41  10.680   0.528   0.850
  283   2HG   PRO  41          2HG       PRO  41  10.792  -1.216   0.718
  284   1HD   PRO  41          1HD       PRO  41   9.538   0.269   2.827
  285   2HD   PRO  41          2HD       PRO  41   9.752  -1.469   2.753
  286    H    GLY  42           H        GLY  42  14.811   1.237   2.645
  287   1HA   GLY  42          1HA       GLY  42  14.266   3.489   4.365
  288   2HA   GLY  42          2HA       GLY  42  15.682   3.212   3.370
  289    H    ASP  43           H        ASP  43  13.087   2.601   1.344
  290    HA   ASP  43           HA       ASP  43  13.474   5.091   0.038
  291   1HB   ASP  43          1HB       ASP  43  11.746   2.644  -0.509
  292   2HB   ASP  43          2HB       ASP  43  11.657   4.068  -1.526
  293    HD2  ASP  43           HD       ASP  43  14.638   2.745  -0.225
  294    H    TYR  44           H        TYR  44  10.711   3.257   1.545
  295    HA   TYR  44           HA       TYR  44   9.287   5.822   1.798
  296   1HB   TYR  44          1HB       TYR  44   8.238   2.932   1.586
  297   2HB   TYR  44          2HB       TYR  44   7.243   4.374   1.572
  298    HD1  TYR  44          1HD       TYR  44   7.625   1.997  -0.510
  299    HD2  TYR  44          2HD       TYR  44   8.983   6.049  -0.309
  300    HE1  TYR  44          1HE       TYR  44   7.774   2.081  -3.047
  301    HE2  TYR  44          2HE       TYR  44   9.128   6.119  -2.846
  302    HH   TYR  44           HH       TYR  44   8.902   3.281  -4.742
  303    H    ALA  45           H        ALA  45  10.928   5.588   3.823
  304    HA   ALA  45           HA       ALA  45   9.780   3.901   5.880
  305   1HB   ALA  45          1HB       ALA  45  12.151   5.812   5.842
  306   2HB   ALA  45          2HB       ALA  45  11.706   4.759   7.207
  307   3HB   ALA  45          3HB       ALA  45  12.214   4.042   5.658
  308    H    ASN  46           H        ASN  46   7.645   5.113   5.640
  309    HA   ASN  46           HA       ASN  46   7.745   7.340   7.493
  310   1HB   ASN  46          1HB       ASN  46   5.826   8.372   6.034
  311   2HB   ASN  46          2HB       ASN  46   7.472   8.557   5.461
  312   1HD2  ASN  46          2HD2      ASN  46   6.059   8.910   3.487
  313   2HD2  ASN  46          1HD2      ASN  46   5.744   7.543   2.471
  Start of MODEL    3
    1    H    THR   1           H        THR   1  -8.095  -5.592  -1.111
    2    HA   THR   1           HA       THR   1  -5.876  -6.902  -0.159
    3    HB   THR   1           HB       THR   1  -6.152  -8.408  -2.143
    4    HG1  THR   1          1HG       THR   1  -3.923  -8.120  -2.656
    5   1HG2  THR   1          1HG2      THR   1  -5.597  -5.851  -3.737
    6   2HG2  THR   1          2HG2      THR   1  -5.700  -7.499  -4.402
    7   3HG2  THR   1          3HG2      THR   1  -7.152  -6.717  -3.732
    8    H    THR   2           H        THR   2  -3.866  -5.745  -1.892
    9    HA   THR   2           HA       THR   2  -4.579  -2.904  -1.835
   10    HB   THR   2           HB       THR   2  -2.095  -4.125  -0.521
   11    HG1  THR   2          1HG       THR   2  -4.695  -3.092   0.336
   12   1HG2  THR   2          1HG2      THR   2  -3.287  -1.322  -0.258
   13   2HG2  THR   2          2HG2      THR   2  -1.722  -1.896   0.366
   14   3HG2  THR   2          3HG2      THR   2  -1.961  -1.694  -1.386
   15    H    CYS   3           H        CYS   3  -4.081  -1.936  -3.694
   16    HA   CYS   3           HA       CYS   3  -2.235  -3.364  -5.438
   17   1HB   CYS   3          1HB       CYS   3  -4.458  -1.405  -5.910
   18   2HB   CYS   3          2HB       CYS   3  -3.194  -1.595  -7.109
   19    H    CYS   4           H        CYS   4  -0.420  -2.235  -6.386
   20    HA   CYS   4           HA       CYS   4   0.104   0.396  -5.226
   21   1HB   CYS   4          1HB       CYS   4   1.349  -1.822  -4.276
   22   2HB   CYS   4          2HB       CYS   4   2.447  -1.377  -5.567
   23    HA   PRO   5           HA       PRO   5   1.041   1.161  -9.421
   24   1HB   PRO   5          1HB       PRO   5   2.200   3.626  -9.198
   25   2HB   PRO   5          2HB       PRO   5   0.465   3.381  -9.217
   26   1HG   PRO   5          1HG       PRO   5   2.222   4.018  -6.926
   27   2HG   PRO   5          2HG       PRO   5   0.482   4.187  -7.056
   28   1HD   PRO   5          1HD       PRO   5   1.908   2.125  -5.661
   29   2HD   PRO   5          2HD       PRO   5   0.173   2.230  -5.889
   30    H    SER   6           H        SER   6   3.451   1.021  -7.004
   31    HA   SER   6           HA       SER   6   5.251   0.070  -9.039
   32   1HB   SER   6          1HB       SER   6   7.061   1.534  -8.503
   33   2HB   SER   6          2HB       SER   6   5.666   2.573  -8.717
   34    HG   SER   6           HG       SER   6   6.751   3.210  -6.815
   35    H    ILE   7           H        ILE   7   7.140  -1.120  -8.043
   36    HA   ILE   7           HA       ILE   7   6.232  -2.572  -5.757
   37    HB   ILE   7           HB       ILE   7   7.427  -3.482  -7.794
   38   1HG1  ILE   7          1HG1      ILE   7   8.586  -4.205  -5.086
   39   2HG1  ILE   7          2HG1      ILE   7   7.015  -4.723  -5.666
   40   1HG2  ILE   7          1HG2      ILE   7   9.217  -1.696  -7.745
   41   2HG2  ILE   7          2HG2      ILE   7   9.933  -2.571  -6.370
   42   3HG2  ILE   7          3HG2      ILE   7   9.786  -3.369  -7.954
   43   1HD1  ILE   7          1HD1      ILE   7   9.735  -5.385  -6.869
   44   2HD1  ILE   7          2HD1      ILE   7   8.556  -6.512  -6.156
   45   3HD1  ILE   7          3HD1      ILE   7   8.201  -5.716  -7.708
   46    H    VAL   8           H        VAL   8   8.285   0.207  -6.389
   47    HA   VAL   8           HA       VAL   8   9.875   0.019  -4.073
   48    HB   VAL   8           HB       VAL   8   9.061   2.312  -5.862
   49   1HG1  VAL   8          1HG1      VAL   8  11.016   3.518  -4.828
   50   2HG1  VAL   8          2HG1      VAL   8   9.613   3.308  -3.753
   51   3HG1  VAL   8          3HG1      VAL   8  11.042   2.263  -3.565
   52   1HG2  VAL   8          1HG2      VAL   8  11.613   0.677  -5.659
   53   2HG2  VAL   8          2HG2      VAL   8  10.405   0.603  -6.965
   54   3HG2  VAL   8          3HG2      VAL   8  11.368   2.081  -6.726
   55    H    ALA   9           H        ALA   9   6.678   1.498  -4.812
   56    HA   ALA   9           HA       ALA   9   6.430   2.778  -2.307
   57   1HB   ALA   9          1HB       ALA   9   3.955   2.783  -3.037
   58   2HB   ALA   9          2HB       ALA   9   5.120   3.602  -4.105
   59   3HB   ALA   9          3HB       ALA   9   4.519   1.979  -4.522
   60    H    ARG  10           H        ARG  10   5.980  -0.523  -3.472
   61    HA   ARG  10           HA       ARG  10   4.257  -1.278  -1.380
   62   1HB   ARG  10          1HB       ARG  10   4.421  -2.496  -3.570
   63   2HB   ARG  10          2HB       ARG  10   6.057  -2.985  -3.175
   64   1HG   ARG  10          1HG       ARG  10   4.757  -4.864  -2.545
   65   2HG   ARG  10          2HG       ARG  10   5.046  -4.045  -1.024
   66   1HD   ARG  10          1HD       ARG  10   2.706  -4.547  -1.012
   67   2HD   ARG  10          2HD       ARG  10   2.792  -2.837  -1.386
   68    HE   ARG  10           HE       ARG  10   2.842  -4.048  -3.885
   69   1HH1  ARG  10          2HH2      ARG  10   0.645  -4.065  -1.135
   70   2HH1  ARG  10          1HH2      ARG  10  -0.712  -4.613  -2.062
   71   1HH2  ARG  10          2HH1      ARG  10   0.998  -4.539  -5.143
   72   2HH2  ARG  10          1HH1      ARG  10  -0.540  -4.756  -4.377
   73    H    SER  11           H        SER  11   7.761  -1.007  -1.844
   74    HA   SER  11           HA       SER  11   8.471  -2.746   0.244
   75   1HB   SER  11          1HB       SER  11   9.974  -2.045  -1.653
   76   2HB   SER  11          2HB       SER  11  10.058  -0.436  -0.964
   77    HG   SER  11           HG       SER  11  10.981  -1.401   0.988
   78    H    ASN  12           H        ASN  12   7.072   0.403   0.141
   79    HA   ASN  12           HA       ASN  12   8.271   1.239   2.611
   80   1HB   ASN  12          1HB       ASN  12   6.272   2.444   0.657
   81   2HB   ASN  12          2HB       ASN  12   6.460   3.150   2.250
   82   1HD2  ASN  12          2HD2      ASN  12   8.239   2.124  -0.633
   83   2HD2  ASN  12          1HD2      ASN  12   9.491   3.319  -0.565
   84    H    PHE  13           H        PHE  13   5.883  -0.925   1.683
   85    HA   PHE  13           HA       PHE  13   3.832  -0.169   3.532
   86   1HB   PHE  13          1HB       PHE  13   3.717  -1.494   1.264
   87   2HB   PHE  13          2HB       PHE  13   4.379  -2.856   2.146
   88    HD1  PHE  13          1HD       PHE  13   1.670  -0.350   2.778
   89    HD2  PHE  13          2HD       PHE  13   2.803  -4.438   2.670
   90    HE1  PHE  13          1HE       PHE  13  -0.643  -1.010   3.494
   91    HE2  PHE  13          2HE       PHE  13   0.489  -5.098   3.386
   92    HZ   PHE  13           HZ       PHE  13  -1.206  -3.376   3.790
   93    H    ASN  14           H        ASN  14   6.915  -1.417   3.957
   94    HA   ASN  14           HA       ASN  14   6.475  -3.566   5.634
   95   1HB   ASN  14          1HB       ASN  14   8.738  -1.500   5.610
   96   2HB   ASN  14          2HB       ASN  14   8.804  -3.003   6.508
   97   1HD2  ASN  14          2HD2      ASN  14  10.744  -2.611   4.777
   98   2HD2  ASN  14          1HD2      ASN  14  10.587  -3.564   3.340
   99    H    VAL  15           H        VAL  15   6.054  -0.102   6.018
  100    HA   VAL  15           HA       VAL  15   6.430   0.067   8.808
  101    HB   VAL  15           HB       VAL  15   4.859   1.762   6.857
  102   1HG1  VAL  15          1HG1      VAL  15   4.008   2.245   9.038
  103   2HG1  VAL  15          2HG1      VAL  15   5.642   2.263   9.744
  104   3HG1  VAL  15          3HG1      VAL  15   5.143   3.551   8.620
  105   1HG2  VAL  15          1HG2      VAL  15   7.670   2.052   7.972
  106   2HG2  VAL  15          2HG2      VAL  15   7.228   1.638   6.298
  107   3HG2  VAL  15          3HG2      VAL  15   6.837   3.248   6.950
  108    H    CYS  16           H        CYS  16   3.834  -1.100   6.724
  109    HA   CYS  16           HA       CYS  16   1.846  -0.890   8.767
  110   1HB   CYS  16          1HB       CYS  16   1.861  -1.263   5.986
  111   2HB   CYS  16          2HB       CYS  16   1.213  -2.754   6.640
  112    H    ARG  17           H        ARG  17   4.415  -3.067   7.809
  113    HA   ARG  17           HA       ARG  17   3.187  -5.324   9.068
  114   1HB   ARG  17          1HB       ARG  17   6.006  -4.962   7.931
  115   2HB   ARG  17          2HB       ARG  17   5.319  -6.491   8.442
  116   1HG   ARG  17          1HG       ARG  17   4.126  -4.727   6.252
  117   2HG   ARG  17          2HG       ARG  17   5.184  -6.090   5.946
  118   1HD   ARG  17          1HD       ARG  17   3.085  -7.110   5.731
  119   2HD   ARG  17          2HD       ARG  17   3.436  -7.443   7.415
  120    HE   ARG  17           HE       ARG  17   1.960  -4.933   6.836
  121   1HH1  ARG  17          2HH2      ARG  17   1.334  -8.324   7.150
  122   2HH1  ARG  17          1HH2      ARG  17   0.063  -8.147   8.314
  123   1HH2  ARG  17          2HH1      ARG  17   0.464  -4.671   8.672
  124   2HH2  ARG  17          1HH1      ARG  17  -0.582  -6.013   8.992
  125    H    LEU  18           H        LEU  18   5.590  -2.781   9.733
  126    HA   LEU  18           HA       LEU  18   6.816  -4.027  11.938
  127   1HB   LEU  18          1HB       LEU  18   6.882  -1.480  10.553
  128   2HB   LEU  18          2HB       LEU  18   6.977  -1.261  12.289
  129    HG   LEU  18           HG       LEU  18   8.864  -2.981  12.276
  130   1HD1  LEU  18          1HD1      LEU  18  10.058  -3.327  10.180
  131   2HD1  LEU  18          2HD1      LEU  18   8.394  -3.952  10.072
  132   3HD1  LEU  18          3HD1      LEU  18   8.815  -2.404   9.301
  133   1HD2  LEU  18          1HD2      LEU  18   9.253  -0.331  10.859
  134   2HD2  LEU  18          2HD2      LEU  18   9.272  -0.616  12.616
  135   3HD2  LEU  18          3HD2      LEU  18  10.546  -1.315  11.587
  136    HA   PRO  19           HA       PRO  19   4.063  -3.199  15.164
  137   1HB   PRO  19          1HB       PRO  19   5.579  -2.225  17.219
  138   2HB   PRO  19          2HB       PRO  19   5.515  -3.925  16.797
  139   1HG   PRO  19          1HG       PRO  19   7.669  -1.967  16.283
  140   2HG   PRO  19          2HG       PRO  19   7.749  -3.717  16.261
  141   1HD   PRO  19          1HD       PRO  19   7.657  -1.975  13.984
  142   2HD   PRO  19          2HD       PRO  19   7.620  -3.727  13.966
  143    H    GLY  20           H        GLY  20   3.202  -1.511  13.550
  144   1HA   GLY  20          1HA       GLY  20   2.394   0.701  15.114
  145   2HA   GLY  20          2HA       GLY  20   3.665   1.194  14.014
  146    H    THR  21           H        THR  21   1.826   2.572  13.126
  147    HA   THR  21           HA       THR  21   0.783   1.287  10.791
  148    HB   THR  21           HB       THR  21  -0.893   0.562  12.492
  149    HG1  THR  21          1HG       THR  21  -1.692   1.132  10.392
  150   1HG2  THR  21          1HG2      THR  21  -0.598   2.550  14.065
  151   2HG2  THR  21          2HG2      THR  21  -1.414   3.559  12.847
  152   3HG2  THR  21          3HG2      THR  21  -2.293   2.225  13.631
  153    H    SER  22           H        SER  22   2.662   3.411  11.420
  154    HA   SER  22           HA       SER  22   3.027   5.559  11.098
  155   1HB   SER  22          1HB       SER  22   2.792   6.188   8.814
  156   2HB   SER  22          2HB       SER  22   2.885   4.438   8.792
  157    HG   SER  22           HG       SER  22   0.435   4.515   8.834
  158    H    GLU  23           H        GLU  23   0.782   6.917   9.136
  159    HA   GLU  23           HA       GLU  23  -0.544   8.128  11.385
  160   1HB   GLU  23          1HB       GLU  23  -0.212   8.822   8.461
  161   2HB   GLU  23          2HB       GLU  23  -1.493   9.585   9.382
  162   1HG   GLU  23          1HG       GLU  23   0.581  10.955   9.416
  163   2HG   GLU  23          2HG       GLU  23   0.134  10.438  11.030
  164    HE2  GLU  23           HE       GLU  23   3.340   8.688   9.325
  165    H    ALA  24           H        ALA  24  -1.481   5.646  11.417
  166    HA   ALA  24           HA       ALA  24  -3.392   4.518  11.469
  167   1HB   ALA  24          1HB       ALA  24  -4.348   6.951  11.613
  168   2HB   ALA  24          2HB       ALA  24  -4.830   6.679   9.921
  169   3HB   ALA  24          3HB       ALA  24  -5.448   5.613  11.206
  170    H    ILE  25           H        ILE  25  -3.665   6.343   8.335
  171    HA   ILE  25           HA       ILE  25  -3.986   3.790   6.992
  172    HB   ILE  25           HB       ILE  25  -4.154   6.570   5.836
  173   1HG1  ILE  25          1HG1      ILE  25  -5.703   6.519   7.670
  174   2HG1  ILE  25          2HG1      ILE  25  -6.604   6.385   6.173
  175   1HG2  ILE  25          1HG2      ILE  25  -5.639   5.410   4.186
  176   2HG2  ILE  25          2HG2      ILE  25  -3.932   4.909   4.133
  177   3HG2  ILE  25          3HG2      ILE  25  -5.143   3.862   4.911
  178   1HD1  ILE  25          1HD1      ILE  25  -5.887   4.118   8.084
  179   2HD1  ILE  25          2HD1      ILE  25  -7.510   4.757   7.728
  180   3HD1  ILE  25          3HD1      ILE  25  -6.613   3.860   6.479
  181    H    CYS  26           H        CYS  26  -2.040   2.756   6.757
  182    HA   CYS  26           HA       CYS  26   0.336   4.220   6.260
  183   1HB   CYS  26          1HB       CYS  26   1.433   2.109   6.176
  184   2HB   CYS  26          2HB       CYS  26   0.277   2.083   7.493
  185    H    ALA  27           H        ALA  27  -2.366   3.229   4.378
  186    HA   ALA  27           HA       ALA  27  -1.155   2.508   1.972
  187   1HB   ALA  27          1HB       ALA  27  -3.317   2.676   1.086
  188   2HB   ALA  27          2HB       ALA  27  -3.633   2.399   2.815
  189   3HB   ALA  27          3HB       ALA  27  -3.751   4.042   2.141
  190    H    THR  28           H        THR  28  -1.967   5.691   3.434
  191    HA   THR  28           HA       THR  28  -1.152   7.107   1.058
  192    HB   THR  28           HB       THR  28  -1.900   9.033   2.299
  193    HG1  THR  28          1HG       THR  28  -1.573   7.177   4.552
  194   1HG2  THR  28          1HG2      THR  28  -3.570   7.053   3.821
  195   2HG2  THR  28          2HG2      THR  28  -4.085   8.454   2.851
  196   3HG2  THR  28          3HG2      THR  28  -3.631   6.932   2.046
  197    H    TYR  29           H        TYR  29   0.354   5.831   3.953
  198    HA   TYR  29           HA       TYR  29   2.615   7.619   3.729
  199   1HB   TYR  29          1HB       TYR  29   1.432   6.451   5.822
  200   2HB   TYR  29          2HB       TYR  29   2.309   5.018   5.326
  201    HD1  TYR  29          1HD       TYR  29   2.943   8.641   6.080
  202    HD2  TYR  29          2HD       TYR  29   4.404   4.624   6.254
  203    HE1  TYR  29          1HE       TYR  29   4.982   9.431   7.377
  204    HE2  TYR  29          2HE       TYR  29   6.438   5.427   7.551
  205    HH   TYR  29           HH       TYR  29   6.866   8.882   8.272
  206    H    THR  30           H        THR  30   1.553   4.549   2.439
  207    HA   THR  30           HA       THR  30   4.324   3.878   1.717
  208    HB   THR  30           HB       THR  30   2.820   2.233   3.024
  209    HG1  THR  30          1HG       THR  30   3.814   1.737   0.307
  210   1HG2  THR  30          1HG2      THR  30   0.860   1.483   2.109
  211   2HG2  THR  30          2HG2      THR  30   0.973   2.839   0.962
  212   3HG2  THR  30          3HG2      THR  30   1.632   1.245   0.523
  213    H    GLY  31           H        GLY  31   1.262   5.057   0.513
  214   1HA   GLY  31          1HA       GLY  31   1.158   6.141  -1.564
  215   2HA   GLY  31          2HA       GLY  31   2.433   5.109  -2.181
  216    H    CYS  32           H        CYS  32   1.412   2.556  -1.218
  217    HA   CYS  32           HA       CYS  32  -0.174   1.848  -3.345
  218   1HB   CYS  32          1HB       CYS  32  -0.104   0.430  -0.678
  219   2HB   CYS  32          2HB       CYS  32  -0.497  -0.260  -2.240
  220    H    ILE  33           H        ILE  33  -2.499   1.007  -3.232
  221    HA   ILE  33           HA       ILE  33  -4.061   2.653  -1.366
  222    HB   ILE  33           HB       ILE  33  -5.737   2.894  -3.100
  223   1HG1  ILE  33          1HG1      ILE  33  -3.802   1.464  -4.946
  224   2HG1  ILE  33          2HG1      ILE  33  -5.266   0.760  -4.288
  225   1HG2  ILE  33          1HG2      ILE  33  -3.047   3.732  -4.202
  226   2HG2  ILE  33          2HG2      ILE  33  -4.625   4.526  -4.426
  227   3HG2  ILE  33          3HG2      ILE  33  -3.845   4.530  -2.825
  228   1HD1  ILE  33          1HD1      ILE  33  -6.551   2.728  -5.322
  229   2HD1  ILE  33          2HD1      ILE  33  -5.043   3.141  -6.173
  230   3HD1  ILE  33          3HD1      ILE  33  -5.836   1.577  -6.477
  231    H    ILE  34           H        ILE  34  -5.939   1.695  -0.453
  232    HA   ILE  34           HA       ILE  34  -5.856  -1.225  -0.591
  233    HB   ILE  34           HB       ILE  34  -7.025   0.657   1.461
  234   1HG1  ILE  34          1HG1      ILE  34  -4.638  -1.194   1.693
  235   2HG1  ILE  34          2HG1      ILE  34  -4.513   0.512   1.315
  236   1HG2  ILE  34          1HG2      ILE  34  -7.483  -1.313   2.806
  237   2HG2  ILE  34          2HG2      ILE  34  -8.346  -1.409   1.252
  238   3HG2  ILE  34          3HG2      ILE  34  -6.870  -2.369   1.511
  239   1HD1  ILE  34          1HD1      ILE  34  -4.217   0.302   3.701
  240   2HD1  ILE  34          2HD1      ILE  34  -5.839   0.992   3.450
  241   3HD1  ILE  34          3HD1      ILE  34  -5.658  -0.733   3.850
  242    H    ILE  35           H        ILE  35  -7.491  -2.386  -1.498
  243    HA   ILE  35           HA       ILE  35 -10.022  -0.997  -1.946
  244    HB   ILE  35           HB       ILE  35 -10.036  -1.214  -4.182
  245   1HG1  ILE  35          1HG1      ILE  35  -9.827  -3.707  -4.059
  246   2HG1  ILE  35          2HG1      ILE  35  -9.111  -2.977  -5.482
  247   1HG2  ILE  35          1HG2      ILE  35  -7.068  -1.152  -3.585
  248   2HG2  ILE  35          2HG2      ILE  35  -7.793  -0.778  -5.167
  249   3HG2  ILE  35          3HG2      ILE  35  -8.169   0.236  -3.754
  250   1HD1  ILE  35          1HD1      ILE  35  -6.861  -3.058  -4.391
  251   2HD1  ILE  35          2HD1      ILE  35  -7.600  -3.836  -2.971
  252   3HD1  ILE  35          3HD1      ILE  35  -7.591  -4.675  -4.541
  253    HA   PRO  36           HA       PRO  36 -11.667  -4.799  -0.741
  254   1HB   PRO  36          1HB       PRO  36 -14.085  -4.853  -2.012
  255   2HB   PRO  36          2HB       PRO  36 -13.790  -3.928  -0.553
  256   1HG   PRO  36          1HG       PRO  36 -14.050  -2.966  -3.336
  257   2HG   PRO  36          2HG       PRO  36 -14.181  -2.057  -1.844
  258   1HD   PRO  36          1HD       PRO  36 -11.946  -2.093  -3.641
  259   2HD   PRO  36          2HD       PRO  36 -12.033  -1.277  -2.093
  260    H    GLY  37           H        GLY  37 -13.083  -4.832  -3.949
  261   1HA   GLY  37          1HA       GLY  37 -11.747  -7.425  -4.364
  262   2HA   GLY  37          2HA       GLY  37 -13.221  -6.875  -5.135
  263    H    ALA  38           H        ALA  38 -12.640  -6.960  -7.307
  264    HA   ALA  38           HA       ALA  38 -10.097  -5.935  -8.153
  265   1HB   ALA  38          1HB       ALA  38 -11.137  -7.894  -9.221
  266   2HB   ALA  38          2HB       ALA  38 -12.538  -6.903  -9.696
  267   3HB   ALA  38          3HB       ALA  38 -10.934  -6.571 -10.394
  268    H    THR  39           H        THR  39 -10.688  -3.784  -6.970
  269    HA   THR  39           HA       THR  39 -12.318  -2.103  -8.747
  270    HB   THR  39           HB       THR  39 -11.338  -1.590  -5.891
  271    HG1  THR  39          1HG       THR  39 -12.773  -3.463  -6.095
  272   1HG2  THR  39          1HG2      THR  39 -13.584  -0.393  -7.599
  273   2HG2  THR  39          2HG2      THR  39 -13.330  -0.052  -5.871
  274   3HG2  THR  39          3HG2      THR  39 -12.115   0.459  -7.066
  275    H    CYS  40           H        CYS  40  -9.146  -3.065  -8.319
  276    HA   CYS  40           HA       CYS  40  -7.784  -0.643  -8.336
  277   1HB   CYS  40          1HB       CYS  40  -6.963  -3.280  -9.571
  278   2HB   CYS  40          2HB       CYS  40  -5.898  -1.929  -9.238
  279    HA   PRO  41           HA       PRO  41  -8.437   0.699 -12.428
  280   1HB   PRO  41          1HB       PRO  41  -6.188   2.172 -12.920
  281   2HB   PRO  41          2HB       PRO  41  -7.543   2.774 -11.986
  282   1HG   PRO  41          1HG       PRO  41  -4.900   1.851 -11.034
  283   2HG   PRO  41          2HG       PRO  41  -6.086   2.834 -10.198
  284   1HD   PRO  41          1HD       PRO  41  -5.554   0.048  -9.767
  285   2HD   PRO  41          2HD       PRO  41  -6.817   1.003  -9.015
  286    H    GLY  42           H        GLY  42  -5.622  -1.141 -11.730
  287   1HA   GLY  42          1HA       GLY  42  -5.015  -2.979 -13.029
  288   2HA   GLY  42          2HA       GLY  42  -5.790  -2.267 -14.431
  289    H    ASP  43           H        ASP  43  -4.584   0.461 -13.892
  290    HA   ASP  43           HA       ASP  43  -2.361   0.162 -15.492
  291   1HB   ASP  43          1HB       ASP  43  -3.067   2.429 -13.568
  292   2HB   ASP  43          2HB       ASP  43  -1.886   2.550 -14.857
  293    HD2  ASP  43           HD       ASP  43  -3.433   4.265 -15.017
  294    H    TYR  44           H        TYR  44  -2.871  -0.053 -12.002
  295    HA   TYR  44           HA       TYR  44  -0.198   0.489 -11.211
  296   1HB   TYR  44          1HB       TYR  44  -2.748  -0.784 -10.109
  297   2HB   TYR  44          2HB       TYR  44  -1.274  -0.938  -9.174
  298    HD1  TYR  44          1HD       TYR  44  -1.895   0.356  -7.274
  299    HD2  TYR  44          2HD       TYR  44  -2.213   2.040 -11.195
  300    HE1  TYR  44          1HE       TYR  44  -2.302   2.653  -6.263
  301    HE2  TYR  44          2HE       TYR  44  -2.618   4.331 -10.170
  302    HH   TYR  44           HH       TYR  44  -2.620   4.752  -6.639
  303    H    ALA  45           H        ALA  45  -1.782  -2.231 -12.698
  304    HA   ALA  45           HA       ALA  45  -0.945  -4.175 -13.380
  305   1HB   ALA  45          1HB       ALA  45   1.354  -4.528 -13.486
  306   2HB   ALA  45          2HB       ALA  45   1.281  -2.757 -13.331
  307   3HB   ALA  45          3HB       ALA  45   1.652  -3.760 -11.908
  308    H    ASN  46           H        ASN  46   0.569  -3.618 -10.116
  309    HA   ASN  46           HA       ASN  46  -0.624  -6.136  -9.321
  310   1HB   ASN  46          1HB       ASN  46   0.964  -6.030  -7.408
  311   2HB   ASN  46          2HB       ASN  46   1.823  -5.831  -8.922
  312   1HD2  ASN  46          2HD2      ASN  46   2.629  -3.804  -9.527
  313   2HD2  ASN  46          1HD2      ASN  46   2.549  -2.379  -8.547
  Start of MODEL    4
    1    H    THR   1           H        THR   1  -3.877   8.011   1.349
    2    HA   THR   1           HA       THR   1  -1.658   7.099   0.315
    3    HB   THR   1           HB       THR   1  -1.779   8.374   3.098
    4    HG1  THR   1          1HG       THR   1  -1.887   9.391   0.345
    5   1HG2  THR   1          1HG2      THR   1   0.196   8.619   0.767
    6   2HG2  THR   1          2HG2      THR   1   0.224   9.623   2.236
    7   3HG2  THR   1          3HG2      THR   1   0.541   7.875   2.347
    8    H    THR   2           H        THR   2  -0.983   5.033   0.171
    9    HA   THR   2           HA       THR   2  -0.796   3.515   2.675
   10    HB   THR   2           HB       THR   2  -0.643   2.628  -0.254
   11    HG1  THR   2          1HG       THR   2  -2.874   1.806   0.667
   12   1HG2  THR   2          1HG2      THR   2   0.344   1.045   1.516
   13   2HG2  THR   2          2HG2      THR   2  -1.266   1.021   2.274
   14   3HG2  THR   2          3HG2      THR   2  -1.050   0.390   0.623
   15    H    CYS   3           H        CYS   3   1.114   2.629   3.429
   16    HA   CYS   3           HA       CYS   3   3.487   3.696   2.083
   17   1HB   CYS   3          1HB       CYS   3   2.918   3.197   5.002
   18   2HB   CYS   3          2HB       CYS   3   4.549   3.384   4.389
   19    H    CYS   4           H        CYS   4   5.341   2.240   1.923
   20    HA   CYS   4           HA       CYS   4   4.784  -0.529   2.626
   21   1HB   CYS   4          1HB       CYS   4   4.656   0.479  -0.033
   22   2HB   CYS   4          2HB       CYS   4   6.108  -0.495   0.090
   23    HA   PRO   5           HA       PRO   5   9.028  -0.417   3.606
   24   1HB   PRO   5          1HB       PRO   5   9.900  -2.957   3.104
   25   2HB   PRO   5          2HB       PRO   5   8.993  -2.522   4.538
   26   1HG   PRO   5          1HG       PRO   5   8.074  -3.982   2.138
   27   2HG   PRO   5          2HG       PRO   5   7.338  -3.907   3.726
   28   1HD   PRO   5          1HD       PRO   5   6.487  -2.506   1.372
   29   2HD   PRO   5          2HD       PRO   5   5.823  -2.344   2.986
   30    H    SER   6           H        SER   6   8.168  -1.197   0.404
   31    HA   SER   6           HA       SER   6  10.689  -0.031  -0.404
   32   1HB   SER   6          1HB       SER   6   9.591  -2.616  -1.597
   33   2HB   SER   6          2HB       SER   6  11.009  -1.757  -2.164
   34    HG   SER   6           HG       SER   6  11.904  -2.074   0.060
   35    H    ILE   7           H        ILE   7  10.540   1.147  -2.401
   36    HA   ILE   7           HA       ILE   7   8.007   2.165  -2.985
   37    HB   ILE   7           HB       ILE   7   9.117   3.327  -4.796
   38   1HG1  ILE   7          1HG1      ILE   7  11.509   1.549  -4.232
   39   2HG1  ILE   7          2HG1      ILE   7  10.473   1.444  -5.641
   40   1HG2  ILE   7          1HG2      ILE   7   9.419   3.925  -2.317
   41   2HG2  ILE   7          2HG2      ILE   7  11.065   3.270  -2.496
   42   3HG2  ILE   7          3HG2      ILE   7  10.542   4.647  -3.495
   43   1HD1  ILE   7          1HD1      ILE   7  12.396   2.751  -6.286
   44   2HD1  ILE   7          2HD1      ILE   7  11.038   3.892  -6.128
   45   3HD1  ILE   7          3HD1      ILE   7  12.260   3.778  -4.839
   46    H    VAL   8           H        VAL   8   9.798  -0.644  -4.170
   47    HA   VAL   8           HA       VAL   8   8.385  -0.967  -6.578
   48    HB   VAL   8           HB       VAL   8   9.896  -2.865  -4.780
   49   1HG1  VAL   8          1HG1      VAL   8   8.691  -3.353  -7.521
   50   2HG1  VAL   8          2HG1      VAL   8   9.950  -4.379  -6.792
   51   3HG1  VAL   8          3HG1      VAL   8   8.358  -4.233  -6.010
   52   1HG2  VAL   8          1HG2      VAL   8  10.625  -1.488  -7.387
   53   2HG2  VAL   8          2HG2      VAL   8  11.270  -1.116  -5.771
   54   3HG2  VAL   8          3HG2      VAL   8  11.634  -2.682  -6.535
   55    H    ALA   9           H        ALA   9   7.943  -2.365  -3.260
   56    HA   ALA   9           HA       ALA   9   5.665  -3.852  -3.941
   57   1HB   ALA   9          1HB       ALA   9   7.036  -4.314  -1.968
   58   2HB   ALA   9          2HB       ALA   9   6.632  -2.721  -1.284
   59   3HB   ALA   9          3HB       ALA   9   5.365  -3.957  -1.469
   60    H    ARG  10           H        ARG  10   6.221  -0.441  -3.150
   61    HA   ARG  10           HA       ARG  10   3.569   0.107  -2.457
   62   1HB   ARG  10          1HB       ARG  10   5.779   1.501  -2.083
   63   2HB   ARG  10          2HB       ARG  10   5.469   2.144  -3.684
   64   1HG   ARG  10          1HG       ARG  10   3.185   2.871  -2.938
   65   2HG   ARG  10          2HG       ARG  10   3.517   2.249  -1.334
   66   1HD   ARG  10          1HD       ARG  10   5.664   3.817  -1.471
   67   2HD   ARG  10          2HD       ARG  10   4.762   4.634  -2.732
   68    HE   ARG  10           HE       ARG  10   2.939   4.374  -0.626
   69   1HH1  ARG  10          2HH2      ARG  10   5.979   6.026  -1.242
   70   2HH1  ARG  10          1HH2      ARG  10   5.829   7.088   0.118
   71   1HH2  ARG  10          2HH1      ARG  10   2.661   5.878   1.077
   72   2HH2  ARG  10          1HH1      ARG  10   3.903   7.037   1.417
   73    H    SER  11           H        SER  11   5.469   0.189  -5.514
   74    HA   SER  11           HA       SER  11   3.427   1.434  -6.993
   75   1HB   SER  11          1HB       SER  11   4.862   0.388  -8.955
   76   2HB   SER  11          2HB       SER  11   5.510   1.701  -7.993
   77    HG   SER  11           HG       SER  11   5.999  -1.107  -7.466
   78    H    ASN  12           H        ASN  12   4.122  -1.855  -5.948
   79    HA   ASN  12           HA       ASN  12   2.686  -3.142  -7.988
   80   1HB   ASN  12          1HB       ASN  12   3.846  -3.880  -5.306
   81   2HB   ASN  12          2HB       ASN  12   2.593  -4.938  -5.926
   82   1HD2  ASN  12          2HD2      ASN  12   5.411  -3.137  -7.170
   83   2HD2  ASN  12          1HD2      ASN  12   6.064  -4.405  -8.153
   84    H    PHE  13           H        PHE  13   1.844  -1.276  -5.178
   85    HA   PHE  13           HA       PHE  13  -0.702  -2.599  -4.788
   86   1HB   PHE  13          1HB       PHE  13   0.886  -1.601  -2.978
   87   2HB   PHE  13          2HB       PHE  13   0.475  -0.017  -3.603
   88    HD1  PHE  13          1HD       PHE  13  -0.931  -3.020  -1.965
   89    HD2  PHE  13          2HD       PHE  13  -1.535   1.058  -2.972
   90    HE1  PHE  13          1HE       PHE  13  -2.937  -2.945  -0.458
   91    HE2  PHE  13          2HE       PHE  13  -3.541   1.133  -1.465
   92    HZ   PHE  13           HZ       PHE  13  -4.218  -0.870  -0.226
   93    H    ASN  14           H        ASN  14   0.512  -0.479  -7.051
   94    HA   ASN  14           HA       ASN  14  -1.329   1.584  -7.018
   95   1HB   ASN  14          1HB       ASN  14   0.268   0.280  -9.276
   96   2HB   ASN  14          2HB       ASN  14  -0.728   1.695  -9.548
   97   1HD2  ASN  14          2HD2      ASN  14   1.822   1.965 -10.117
   98   2HD2  ASN  14          1HD2      ASN  14   2.668   2.938  -8.961
   99    H    VAL  15           H        VAL  15  -1.412  -1.785  -8.164
  100    HA   VAL  15           HA       VAL  15  -3.670  -1.469  -9.863
  101    HB   VAL  15           HB       VAL  15  -3.599  -3.843 -10.043
  102   1HG1  VAL  15          1HG1      VAL  15  -1.424  -4.162 -10.901
  103   2HG1  VAL  15          2HG1      VAL  15  -1.717  -2.411 -11.033
  104   3HG1  VAL  15          3HG1      VAL  15  -0.699  -3.047  -9.718
  105   1HG2  VAL  15          1HG2      VAL  15  -3.467  -4.611  -7.808
  106   2HG2  VAL  15          2HG2      VAL  15  -1.967  -5.166  -8.589
  107   3HG2  VAL  15          3HG2      VAL  15  -1.938  -3.748  -7.514
  108    H    CYS  16           H        CYS  16  -3.154  -1.681  -6.422
  109    HA   CYS  16           HA       CYS  16  -5.764  -2.741  -5.886
  110   1HB   CYS  16          1HB       CYS  16  -3.457  -2.799  -4.499
  111   2HB   CYS  16          2HB       CYS  16  -4.199  -1.400  -3.748
  112    H    ARG  17           H        ARG  17  -4.037   0.404  -6.012
  113    HA   ARG  17           HA       ARG  17  -6.152   1.843  -4.854
  114   1HB   ARG  17          1HB       ARG  17  -3.664   2.589  -6.435
  115   2HB   ARG  17          2HB       ARG  17  -4.838   3.822  -6.021
  116   1HG   ARG  17          1HG       ARG  17  -3.834   1.965  -3.851
  117   2HG   ARG  17          2HG       ARG  17  -2.808   3.282  -4.382
  118   1HD   ARG  17          1HD       ARG  17  -4.622   4.920  -3.887
  119   2HD   ARG  17          2HD       ARG  17  -5.687   3.615  -3.406
  120    HE   ARG  17           HE       ARG  17  -3.275   3.396  -1.888
  121   1HH1  ARG  17          2HH2      ARG  17  -5.982   5.615  -2.233
  122   2HH1  ARG  17          1HH2      ARG  17  -5.948   6.117  -0.575
  123   1HH2  ARG  17          2HH1      ARG  17  -3.324   3.952   0.334
  124   2HH2  ARG  17          1HH1      ARG  17  -4.362   5.229   0.872
  125    H    LEU  18           H        LEU  18  -5.004   1.229  -8.232
  126    HA   LEU  18           HA       LEU  18  -7.100   2.811  -9.369
  127   1HB   LEU  18          1HB       LEU  18  -4.816   1.176 -10.350
  128   2HB   LEU  18          2HB       LEU  18  -6.151   1.444 -11.453
  129    HG   LEU  18           HG       LEU  18  -5.888   3.905 -11.118
  130   1HD1  LEU  18          1HD1      LEU  18  -4.862   3.951  -8.935
  131   2HD1  LEU  18          2HD1      LEU  18  -3.434   3.080  -9.544
  132   3HD1  LEU  18          3HD1      LEU  18  -3.779   4.731 -10.112
  133   1HD2  LEU  18          1HD2      LEU  18  -3.869   4.123 -12.499
  134   2HD2  LEU  18          2HD2      LEU  18  -3.442   2.433 -12.137
  135   3HD2  LEU  18          3HD2      LEU  18  -4.920   2.800 -13.059
  136    HA   PRO  19           HA       PRO  19 -10.106  -0.262  -9.734
  137   1HB   PRO  19          1HB       PRO  19 -11.376   0.377 -12.068
  138   2HB   PRO  19          2HB       PRO  19 -11.663   1.220 -10.559
  139   1HG   PRO  19          1HG       PRO  19 -10.120   2.113 -12.917
  140   2HG   PRO  19          2HG       PRO  19 -10.770   3.073 -11.603
  141   1HD   PRO  19          1HD       PRO  19  -8.034   2.293 -11.968
  142   2HD   PRO  19          2HD       PRO  19  -8.705   3.153 -10.596
  143    H    GLY  20           H        GLY  20  -7.467  -0.278 -11.664
  144   1HA   GLY  20          1HA       GLY  20  -7.969  -2.063 -13.679
  145   2HA   GLY  20          2HA       GLY  20  -6.462  -1.945 -12.793
  146    H    THR  21           H        THR  21  -7.370  -2.728 -10.172
  147    HA   THR  21           HA       THR  21  -8.448  -5.417 -10.621
  148    HB   THR  21           HB       THR  21  -5.875  -4.704  -9.116
  149    HG1  THR  21          1HG       THR  21  -6.605  -6.231 -11.517
  150   1HG2  THR  21          1HG2      THR  21  -7.013  -6.633  -8.043
  151   2HG2  THR  21          2HG2      THR  21  -7.276  -7.380  -9.636
  152   3HG2  THR  21          3HG2      THR  21  -5.624  -7.209  -8.996
  153    H    SER  22           H        SER  22  -7.034  -3.690  -7.778
  154    HA   SER  22           HA       SER  22  -7.860  -3.613  -5.730
  155   1HB   SER  22          1HB       SER  22  -8.676  -1.547  -7.092
  156   2HB   SER  22          2HB       SER  22 -10.262  -2.291  -7.040
  157    HG   SER  22           HG       SER  22  -8.695  -1.213  -4.906
  158    H    GLU  23           H        GLU  23  -8.260  -6.148  -6.124
  159    HA   GLU  23           HA       GLU  23 -11.056  -6.781  -6.180
  160   1HB   GLU  23          1HB       GLU  23  -8.505  -8.424  -6.076
  161   2HB   GLU  23          2HB       GLU  23 -10.070  -9.176  -5.841
  162   1HG   GLU  23          1HG       GLU  23 -10.843  -8.390  -8.041
  163   2HG   GLU  23          2HG       GLU  23  -9.377  -7.456  -8.267
  164    HE2  GLU  23           HE       GLU  23  -9.713  -8.904 -10.076
  165    H    ALA  24           H        ALA  24  -8.260  -7.001  -3.888
  166    HA   ALA  24           HA       ALA  24 -10.089  -6.695  -1.684
  167   1HB   ALA  24          1HB       ALA  24  -8.298  -9.141  -1.709
  168   2HB   ALA  24          2HB       ALA  24  -9.645  -8.758  -0.609
  169   3HB   ALA  24          3HB       ALA  24  -9.976  -9.201  -2.301
  170    H    ILE  25           H        ILE  25  -8.204  -7.492   0.339
  171    HA   ILE  25           HA       ILE  25  -6.572  -5.189   0.332
  172    HB   ILE  25           HB       ILE  25  -6.672  -7.614   2.127
  173   1HG1  ILE  25          1HG1      ILE  25  -7.662  -4.868   2.833
  174   2HG1  ILE  25          2HG1      ILE  25  -8.660  -5.914   1.844
  175   1HG2  ILE  25          1HG2      ILE  25  -5.452  -6.163   3.759
  176   2HG2  ILE  25          2HG2      ILE  25  -4.484  -6.675   2.356
  177   3HG2  ILE  25          3HG2      ILE  25  -5.138  -5.022   2.430
  178   1HD1  ILE  25          1HD1      ILE  25  -7.508  -6.634   4.579
  179   2HD1  ILE  25          2HD1      ILE  25  -9.202  -6.209   4.236
  180   3HD1  ILE  25          3HD1      ILE  25  -8.508  -7.708   3.572
  181    H    CYS  26           H        CYS  26  -4.938  -4.978  -1.123
  182    HA   CYS  26           HA       CYS  26  -3.422  -7.336  -1.826
  183   1HB   CYS  26          1HB       CYS  26  -2.784  -4.605  -2.864
  184   2HB   CYS  26          2HB       CYS  26  -2.624  -6.166  -3.645
  185    H    ALA  27           H        ALA  27  -3.488  -5.178   0.710
  186    HA   ALA  27           HA       ALA  27  -0.793  -4.366   0.882
  187   1HB   ALA  27          1HB       ALA  27  -1.400  -3.726   3.150
  188   2HB   ALA  27          2HB       ALA  27  -2.745  -3.320   2.057
  189   3HB   ALA  27          3HB       ALA  27  -2.846  -4.762   3.095
  190    H    THR  28           H        THR  28  -2.526  -7.364   1.558
  191    HA   THR  28           HA       THR  28  -0.338  -8.393   3.175
  192    HB   THR  28           HB       THR  28  -2.910  -9.740   2.202
  193    HG1  THR  28          1HG       THR  28  -3.754  -8.811   4.158
  194   1HG2  THR  28          1HG2      THR  28  -1.132 -10.176   4.661
  195   2HG2  THR  28          2HG2      THR  28  -2.637 -11.054   4.298
  196   3HG2  THR  28          3HG2      THR  28  -1.210 -11.265   3.255
  197    H    TYR  29           H        TYR  29  -1.202  -8.129  -0.150
  198    HA   TYR  29           HA       TYR  29   0.223 -10.550  -0.880
  199   1HB   TYR  29          1HB       TYR  29  -1.313  -8.264  -2.230
  200   2HB   TYR  29          2HB       TYR  29  -0.385  -9.380  -3.211
  201    HD1  TYR  29          1HD       TYR  29  -1.462 -11.251  -4.070
  202    HD2  TYR  29          2HD       TYR  29  -2.989  -9.443  -0.506
  203    HE1  TYR  29          1HE       TYR  29  -3.430 -12.862  -4.087
  204    HE2  TYR  29          2HE       TYR  29  -4.951 -11.059  -0.535
  205    HH   TYR  29           HH       TYR  29  -5.244 -13.493  -3.113
  206    H    THR  30           H        THR  30   0.649  -7.003  -0.786
  207    HA   THR  30           HA       THR  30   3.250  -7.314  -2.107
  208    HB   THR  30           HB       THR  30   1.405  -5.610  -2.834
  209    HG1  THR  30          1HG       THR  30   3.647  -5.454  -3.477
  210   1HG2  THR  30          1HG2      THR  30   0.961  -4.749  -0.473
  211   2HG2  THR  30          2HG2      THR  30   2.624  -4.115  -0.455
  212   3HG2  THR  30          3HG2      THR  30   1.441  -3.475  -1.621
  213    H    GLY  31           H        GLY  31   1.673  -6.536   0.976
  214   1HA   GLY  31          1HA       GLY  31   2.777  -6.880   3.008
  215   2HA   GLY  31          2HA       GLY  31   4.324  -6.606   2.232
  216    H    CYS  32           H        CYS  32   1.405  -4.559   1.769
  217    HA   CYS  32           HA       CYS  32   2.961  -2.302   2.687
  218   1HB   CYS  32          1HB       CYS  32   0.515  -2.689   1.041
  219   2HB   CYS  32          2HB       CYS  32   0.619  -1.205   1.967
  220    H    ILE  33           H        ILE  33   1.497  -0.609   4.016
  221    HA   ILE  33           HA       ILE  33   0.032  -2.137   6.052
  222    HB   ILE  33           HB       ILE  33   0.941  -0.492   7.699
  223   1HG1  ILE  33          1HG1      ILE  33   2.976   0.149   5.548
  224   2HG1  ILE  33          2HG1      ILE  33   1.625   1.193   5.945
  225   1HG2  ILE  33          1HG2      ILE  33   1.771  -2.812   7.466
  226   2HG2  ILE  33          2HG2      ILE  33   3.011  -2.230   6.329
  227   3HG2  ILE  33          3HG2      ILE  33   3.024  -1.674   8.020
  228   1HD1  ILE  33          1HD1      ILE  33   2.444   1.132   8.384
  229   2HD1  ILE  33          2HD1      ILE  33   3.923   0.363   7.761
  230   3HD1  ILE  33          3HD1      ILE  33   3.483   2.004   7.231
  231    H    ILE  34           H        ILE  34  -1.718  -0.979   7.102
  232    HA   ILE  34           HA       ILE  34  -2.788   1.083   5.325
  233    HB   ILE  34           HB       ILE  34  -4.100  -0.754   7.329
  234   1HG1  ILE  34          1HG1      ILE  34  -4.643  -0.669   4.371
  235   2HG1  ILE  34          2HG1      ILE  34  -3.259  -1.553   4.982
  236   1HG2  ILE  34          1HG2      ILE  34  -5.284   1.468   5.648
  237   2HG2  ILE  34          2HG2      ILE  34  -6.240   0.187   6.431
  238   3HG2  ILE  34          3HG2      ILE  34  -5.287   1.318   7.422
  239   1HD1  ILE  34          1HD1      ILE  34  -6.161  -1.964   5.839
  240   2HD1  ILE  34          2HD1      ILE  34  -5.200  -3.055   4.811
  241   3HD1  ILE  34          3HD1      ILE  34  -4.766  -2.833   6.523
  242    H    ILE  35           H        ILE  35  -3.622   3.065   6.172
  243    HA   ILE  35           HA       ILE  35  -2.344   3.771   8.705
  244    HB   ILE  35           HB       ILE  35  -2.334   5.995   7.967
  245   1HG1  ILE  35          1HG1      ILE  35  -4.164   5.189   5.686
  246   2HG1  ILE  35          2HG1      ILE  35  -4.649   6.076   7.118
  247   1HG2  ILE  35          1HG2      ILE  35  -0.969   5.913   6.049
  248   2HG2  ILE  35          2HG2      ILE  35  -0.738   4.347   6.865
  249   3HG2  ILE  35          3HG2      ILE  35  -1.782   4.457   5.427
  250   1HD1  ILE  35          1HD1      ILE  35  -4.265   7.737   5.434
  251   2HD1  ILE  35          2HD1      ILE  35  -2.841   7.811   6.500
  252   3HD1  ILE  35          3HD1      ILE  35  -2.736   6.978   4.930
  253    HA   PRO  36           HA       PRO  36  -6.212   4.028  10.609
  254   1HB   PRO  36          1HB       PRO  36  -5.612   5.610  12.755
  255   2HB   PRO  36          2HB       PRO  36  -5.263   3.893  12.703
  256   1HG   PRO  36          1HG       PRO  36  -3.402   6.173  12.421
  257   2HG   PRO  36          2HG       PRO  36  -3.040   4.499  12.794
  258   1HD   PRO  36          1HD       PRO  36  -2.675   5.812  10.270
  259   2HD   PRO  36          2HD       PRO  36  -2.422   4.112  10.613
  260    H    GLY  37           H        GLY  37  -6.494   5.351   8.400
  261   1HA   GLY  37          1HA       GLY  37  -7.401   7.171   7.421
  262   2HA   GLY  37          2HA       GLY  37  -8.441   7.190   8.831
  263    H    ALA  38           H        ALA  38  -4.883   7.841   8.494
  264    HA   ALA  38           HA       ALA  38  -5.291  10.647   8.940
  265   1HB   ALA  38          1HB       ALA  38  -4.265   8.798  11.106
  266   2HB   ALA  38          2HB       ALA  38  -3.746  10.499  11.028
  267   3HB   ALA  38          3HB       ALA  38  -5.470  10.103  11.225
  268    H    THR  39           H        THR  39  -2.427   8.869  10.077
  269    HA   THR  39           HA       THR  39  -1.111   9.286   7.501
  270    HB   THR  39           HB       THR  39  -0.014  10.333  10.162
  271    HG1  THR  39          1HG       THR  39  -1.328  11.526   7.824
  272   1HG2  THR  39          1HG2      THR  39   0.806  10.673   7.231
  273   2HG2  THR  39          2HG2      THR  39   1.437  11.678   8.559
  274   3HG2  THR  39          3HG2      THR  39   1.776   9.930   8.526
  275    H    CYS  40           H        CYS  40   0.944   8.110   7.310
  276    HA   CYS  40           HA       CYS  40   0.647   5.502   8.179
  277   1HB   CYS  40          1HB       CYS  40   3.053   6.986   7.113
  278   2HB   CYS  40          2HB       CYS  40   3.059   5.265   7.444
  279    HA   PRO  41           HA       PRO  41   2.351   5.729  12.186
  280   1HB   PRO  41          1HB       PRO  41   2.936   3.098  12.637
  281   2HB   PRO  41          2HB       PRO  41   1.325   3.765  12.813
  282   1HG   PRO  41          1HG       PRO  41   2.402   2.069  10.645
  283   2HG   PRO  41          2HG       PRO  41   0.730   2.388  11.062
  284   1HD   PRO  41          1HD       PRO  41   2.202   3.526   8.879
  285   2HD   PRO  41          2HD       PRO  41   0.568   3.931   9.366
  286    H    GLY  42           H        GLY  42   4.316   4.609  13.548
  287   1HA   GLY  42          1HA       GLY  42   6.617   5.716  12.206
  288   2HA   GLY  42          2HA       GLY  42   6.532   5.053  13.826
  289    H    ASP  43           H        ASP  43   5.799   3.684  10.534
  290    HA   ASP  43           HA       ASP  43   7.511   1.455  11.290
  291   1HB   ASP  43          1HB       ASP  43   5.097   1.734   9.482
  292   2HB   ASP  43          2HB       ASP  43   6.232   0.433   9.187
  293    HD2  ASP  43           HD       ASP  43   4.754   1.878  11.859
  294    H    TYR  44           H        TYR  44   6.332   3.277   8.350
  295    HA   TYR  44           HA       TYR  44   9.067   3.082   7.277
  296   1HB   TYR  44          1HB       TYR  44   6.318   3.213   5.887
  297   2HB   TYR  44          2HB       TYR  44   7.849   3.037   5.053
  298    HD1  TYR  44          1HD       TYR  44   5.184   1.234   5.294
  299    HD2  TYR  44          2HD       TYR  44   9.168   0.993   6.835
  300    HE1  TYR  44          1HE       TYR  44   4.980  -1.295   5.444
  301    HE2  TYR  44          2HE       TYR  44   8.951  -1.536   6.980
  302    HH   TYR  44           HH       TYR  44   7.663  -3.247   6.723
  303    H    ALA  45           H        ALA  45   5.972   4.980   7.236
  304    HA   ALA  45           HA       ALA  45   5.581   7.131   6.848
  305   1HB   ALA  45          1HB       ALA  45   6.972   8.694   8.142
  306   2HB   ALA  45          2HB       ALA  45   6.650   7.219   9.084
  307   3HB   ALA  45          3HB       ALA  45   8.235   7.452   8.308
  308    H    ASN  46           H        ASN  46   6.335   6.053   4.530
  309    HA   ASN  46           HA       ASN  46   8.553   7.632   3.548
  310   1HB   ASN  46          1HB       ASN  46   8.444   5.163   3.024
  311   2HB   ASN  46          2HB       ASN  46   6.924   5.419   2.189
  312   1HD2  ASN  46          2HD2      ASN  46  10.364   6.068   2.205
  313   2HD2  ASN  46          1HD2      ASN  46  10.543   6.473   0.530
  Start of MODEL    5
    1    H    THR   1           H        THR   1  -4.824  -3.469  -7.456
    2    HA   THR   1           HA       THR   1  -2.604  -5.201  -6.833
    3    HB   THR   1           HB       THR   1  -2.608  -5.629  -9.197
    4    HG1  THR   1          1HG       THR   1  -0.524  -4.907  -8.582
    5   1HG2  THR   1          1HG2      THR   1  -3.074  -2.617  -9.520
    6   2HG2  THR   1          2HG2      THR   1  -2.674  -3.723 -10.857
    7   3HG2  THR   1          3HG2      THR   1  -4.210  -3.910  -9.976
    8    H    THR   2           H        THR   2  -1.088  -4.149  -5.666
    9    HA   THR   2           HA       THR   2  -1.003  -1.235  -5.869
   10    HB   THR   2           HB       THR   2  -1.298  -2.729  -3.214
   11    HG1  THR   2          1HG       THR   2  -3.314  -2.852  -4.269
   12   1HG2  THR   2          1HG2      THR   2  -1.748   0.209  -3.946
   13   2HG2  THR   2          2HG2      THR   2  -1.791  -0.507  -2.317
   14   3HG2  THR   2          3HG2      THR   2  -0.249  -0.393  -3.199
   15    H    CYS   3           H        CYS   3   0.998  -0.318  -5.439
   16    HA   CYS   3           HA       CYS   3   3.105  -2.309  -5.004
   17   1HB   CYS   3          1HB       CYS   3   2.917   0.027  -6.855
   18   2HB   CYS   3          2HB       CYS   3   4.484  -0.368  -6.176
   19    H    CYS   4           H        CYS   4   4.787  -1.722  -3.507
   20    HA   CYS   4           HA       CYS   4   4.216   0.724  -1.997
   21   1HB   CYS   4          1HB       CYS   4   4.285  -2.022  -1.088
   22   2HB   CYS   4          2HB       CYS   4   5.513  -1.075  -0.271
   23    HA   PRO   5           HA       PRO   5   8.452   1.548  -2.586
   24   1HB   PRO   5          1HB       PRO   5   9.156   2.930  -0.335
   25   2HB   PRO   5          2HB       PRO   5   8.282   3.654  -1.671
   26   1HG   PRO   5          1HG       PRO   5   7.265   2.833   0.980
   27   2HG   PRO   5          2HG       PRO   5   6.539   3.922  -0.185
   28   1HD   PRO   5          1HD       PRO   5   5.775   1.206   0.335
   29   2HD   PRO   5          2HD       PRO   5   5.127   2.257  -0.909
   30    H    SER   6           H        SER   6   7.608  -0.138   0.306
   31    HA   SER   6           HA       SER   6  10.064  -1.614  -0.023
   32   1HB   SER   6          1HB       SER   6  10.759  -1.407   2.269
   33   2HB   SER   6          2HB       SER   6  10.481   0.220   1.682
   34    HG   SER   6           HG       SER   6   9.497   0.018   3.730
   35    H    ILE   7           H        ILE   7   9.999  -3.679   1.394
   36    HA   ILE   7           HA       ILE   7   7.430  -4.861   1.067
   37    HB   ILE   7           HB       ILE   7   9.651  -5.956   0.680
   38   1HG1  ILE   7          1HG1      ILE   7   7.280  -7.039   1.217
   39   2HG1  ILE   7          2HG1      ILE   7   8.714  -8.007   0.942
   40   1HG2  ILE   7          1HG2      ILE   7  10.871  -5.211   2.617
   41   2HG2  ILE   7          2HG2      ILE   7   9.710  -6.003   3.708
   42   3HG2  ILE   7          3HG2      ILE   7  10.752  -6.987   2.653
   43   1HD1  ILE   7          1HD1      ILE   7   7.843  -7.088   3.716
   44   2HD1  ILE   7          2HD1      ILE   7   7.376  -8.652   3.006
   45   3HD1  ILE   7          3HD1      ILE   7   9.091  -8.295   3.321
   46    H    VAL   8           H        VAL   8   9.246  -3.333   3.697
   47    HA   VAL   8           HA       VAL   8   7.793  -4.456   5.821
   48    HB   VAL   8           HB       VAL   8   9.362  -1.897   5.495
   49   1HG1  VAL   8          1HG1      VAL   8   9.399  -1.862   8.016
   50   2HG1  VAL   8          2HG1      VAL   8   7.825  -1.472   7.282
   51   3HG1  VAL   8          3HG1      VAL   8   8.104  -3.083   7.987
   52   1HG2  VAL   8          1HG2      VAL   8  10.688  -3.930   5.279
   53   2HG2  VAL   8          2HG2      VAL   8  11.065  -3.112   6.815
   54   3HG2  VAL   8          3HG2      VAL   8  10.023  -4.555   6.808
   55    H    ALA   9           H        ALA   9   7.260  -1.656   3.646
   56    HA   ALA   9           HA       ALA   9   5.190  -0.480   5.101
   57   1HB   ALA   9          1HB       ALA   9   6.402   0.633   3.280
   58   2HB   ALA   9          2HB       ALA   9   5.752  -0.539   2.108
   59   3HB   ALA   9          3HB       ALA   9   4.658   0.601   2.928
   60    H    ARG  10           H        ARG  10   5.348  -3.338   3.008
   61    HA   ARG  10           HA       ARG  10   2.638  -3.475   2.437
   62   1HB   ARG  10          1HB       ARG  10   4.641  -4.795   1.410
   63   2HB   ARG  10          2HB       ARG  10   4.476  -5.887   2.770
   64   1HG   ARG  10          1HG       ARG  10   3.123  -6.920   1.144
   65   2HG   ARG  10          2HG       ARG  10   1.945  -6.027   2.086
   66   1HD   ARG  10          1HD       ARG  10   1.452  -5.586  -0.242
   67   2HD   ARG  10          2HD       ARG  10   2.151  -4.117   0.410
   68    HE   ARG  10           HE       ARG  10   4.277  -5.716  -0.632
   69   1HH1  ARG  10          2HH2      ARG  10   1.485  -3.910  -1.792
   70   2HH1  ARG  10          1HH2      ARG  10   2.146  -3.668  -3.374
   71   1HH2  ARG  10          2HH1      ARG  10   5.238  -5.184  -2.637
   72   2HH2  ARG  10          1HH1      ARG  10   4.379  -4.198  -3.773
   73    H    SER  11           H        SER  11   4.565  -4.281   5.289
   74    HA   SER  11           HA       SER  11   2.655  -6.049   6.394
   75   1HB   SER  11          1HB       SER  11   5.121  -6.046   6.937
   76   2HB   SER  11          2HB       SER  11   4.905  -4.525   7.779
   77    HG   SER  11           HG       SER  11   3.751  -7.091   8.445
   78    H    ASN  12           H        ASN  12   3.300  -2.547   6.444
   79    HA   ASN  12           HA       ASN  12   1.655  -2.050   8.680
   80   1HB   ASN  12          1HB       ASN  12   2.658  -0.208   6.445
   81   2HB   ASN  12          2HB       ASN  12   1.852   0.363   7.893
   82   1HD2  ASN  12          2HD2      ASN  12   2.799  -0.203   9.978
   83   2HD2  ASN  12          1HD2      ASN  12   4.520  -0.300  10.141
   84    H    PHE  13           H        PHE  13   1.126  -2.855   5.365
   85    HA   PHE  13           HA       PHE  13  -1.344  -1.367   5.130
   86   1HB   PHE  13          1HB       PHE  13   0.223  -1.671   3.200
   87   2HB   PHE  13          2HB       PHE  13   0.186  -3.411   3.413
   88    HD1  PHE  13          1HD       PHE  13  -2.558  -0.878   3.287
   89    HD2  PHE  13          2HD       PHE  13  -0.819  -4.340   1.556
   90    HE1  PHE  13          1HE       PHE  13  -4.475  -1.035   1.675
   91    HE2  PHE  13          2HE       PHE  13  -2.736  -4.497  -0.057
   92    HZ   PHE  13           HZ       PHE  13  -4.541  -2.843   0.022
   93    H    ASN  14           H        ASN  14  -0.519  -4.007   6.887
   94    HA   ASN  14           HA       ASN  14  -2.418  -5.875   5.984
   95   1HB   ASN  14          1HB       ASN  14  -0.947  -5.540   8.648
   96   2HB   ASN  14          2HB       ASN  14  -1.983  -6.910   8.303
   97   1HD2  ASN  14          2HD2      ASN  14   0.465  -7.543   8.915
   98   2HD2  ASN  14          1HD2      ASN  14   1.406  -8.043   7.550
   99    H    VAL  15           H        VAL  15  -2.475  -2.945   7.896
  100    HA   VAL  15           HA       VAL  15  -4.592  -3.517   9.632
  101    HB   VAL  15           HB       VAL  15  -4.721  -1.125   9.914
  102   1HG1  VAL  15          1HG1      VAL  15  -2.540  -0.729  10.733
  103   2HG1  VAL  15          2HG1      VAL  15  -2.748  -2.495  10.801
  104   3HG1  VAL  15          3HG1      VAL  15  -1.793  -1.761   9.491
  105   1HG2  VAL  15          1HG2      VAL  15  -3.083  -1.006   7.367
  106   2HG2  VAL  15          2HG2      VAL  15  -4.679  -0.285   7.687
  107   3HG2  VAL  15          3HG2      VAL  15  -3.232   0.363   8.496
  108    H    CYS  16           H        CYS  16  -4.425  -2.670   6.188
  109    HA   CYS  16           HA       CYS  16  -7.171  -1.958   6.016
  110   1HB   CYS  16          1HB       CYS  16  -4.909  -2.322   4.118
  111   2HB   CYS  16          2HB       CYS  16  -6.528  -2.481   3.467
  112    H    ARG  17           H        ARG  17  -5.135  -4.884   5.587
  113    HA   ARG  17           HA       ARG  17  -7.160  -6.409   4.408
  114   1HB   ARG  17          1HB       ARG  17  -4.427  -6.854   5.513
  115   2HB   ARG  17          2HB       ARG  17  -5.469  -8.260   5.611
  116   1HG   ARG  17          1HG       ARG  17  -4.373  -8.407   3.478
  117   2HG   ARG  17          2HG       ARG  17  -6.020  -7.915   3.135
  118   1HD   ARG  17          1HD       ARG  17  -4.639  -6.472   1.804
  119   2HD   ARG  17          2HD       ARG  17  -5.181  -5.481   3.144
  120    HE   ARG  17           HE       ARG  17  -2.966  -5.303   3.854
  121   1HH1  ARG  17          2HH2      ARG  17  -3.196  -7.900   1.504
  122   2HH1  ARG  17          1HH2      ARG  17  -1.539  -8.377   1.669
  123   1HH2  ARG  17          2HH1      ARG  17  -0.803  -6.027   4.185
  124   2HH2  ARG  17          1HH1      ARG  17  -0.133  -7.193   3.092
  125    H    LEU  18           H        LEU  18  -6.197  -5.640   7.749
  126    HA   LEU  18           HA       LEU  18  -7.726  -7.750   8.920
  127   1HB   LEU  18          1HB       LEU  18  -5.958  -5.575   9.794
  128   2HB   LEU  18          2HB       LEU  18  -7.278  -5.906  10.898
  129    HG   LEU  18           HG       LEU  18  -6.570  -8.344  10.852
  130   1HD1  LEU  18          1HD1      LEU  18  -4.039  -7.231   9.615
  131   2HD1  LEU  18          2HD1      LEU  18  -4.354  -8.913  10.102
  132   3HD1  LEU  18          3HD1      LEU  18  -5.259  -8.194   8.748
  133   1HD2  LEU  18          1HD2      LEU  18  -6.103  -6.918  12.754
  134   2HD2  LEU  18          2HD2      LEU  18  -4.718  -7.994  12.445
  135   3HD2  LEU  18          3HD2      LEU  18  -4.643  -6.283  11.958
  136    HA   PRO  19           HA       PRO  19 -11.555  -5.757   8.959
  137   1HB   PRO  19          1HB       PRO  19 -12.809  -7.072  11.001
  138   2HB   PRO  19          2HB       PRO  19 -12.658  -7.734   9.385
  139   1HG   PRO  19          1HG       PRO  19 -11.178  -8.469  11.836
  140   2HG   PRO  19          2HG       PRO  19 -11.354  -9.375  10.347
  141   1HD   PRO  19          1HD       PRO  19  -9.049  -7.891  11.190
  142   2HD   PRO  19          2HD       PRO  19  -9.269  -8.700   9.651
  143    H    GLY  20           H        GLY  20 -10.730  -3.648   9.407
  144   1HA   GLY  20          1HA       GLY  20 -11.970  -2.473  11.609
  145   2HA   GLY  20          2HA       GLY  20 -10.318  -2.823  12.077
  146    H    THR  21           H        THR  21  -8.603  -2.214  10.249
  147    HA   THR  21           HA       THR  21  -7.599  -0.601   9.095
  148    HB   THR  21           HB       THR  21 -10.384   0.310   8.228
  149    HG1  THR  21          1HG       THR  21  -8.678  -1.988   7.681
  150   1HG2  THR  21          1HG2      THR  21  -9.165   0.554   6.020
  151   2HG2  THR  21          2HG2      THR  21  -8.541   1.650   7.276
  152   3HG2  THR  21          3HG2      THR  21  -7.645   0.168   6.863
  153    H    SER  22           H        SER  22  -6.679   1.343   9.574
  154    HA   SER  22           HA       SER  22  -7.485   2.540  11.943
  155   1HB   SER  22          1HB       SER  22  -5.190   2.728  11.397
  156   2HB   SER  22          2HB       SER  22  -5.517   3.254   9.758
  157    HG   SER  22           HG       SER  22  -4.787   4.992  11.189
  158    H    GLU  23           H        GLU  23  -7.051   4.412   8.877
  159    HA   GLU  23           HA       GLU  23  -9.322   6.001   9.654
  160   1HB   GLU  23          1HB       GLU  23  -7.124   6.306   7.584
  161   2HB   GLU  23          2HB       GLU  23  -8.535   7.344   7.549
  162   1HG   GLU  23          1HG       GLU  23  -6.828   6.976  10.050
  163   2HG   GLU  23          2HG       GLU  23  -6.512   8.230   8.868
  164    HE2  GLU  23           HE       GLU  23  -7.023   8.877  11.223
  165    H    ALA  24           H        ALA  24  -8.196   4.876   6.387
  166    HA   ALA  24           HA       ALA  24 -10.463   3.283   5.912
  167   1HB   ALA  24          1HB       ALA  24 -10.547   6.173   5.026
  168   2HB   ALA  24          2HB       ALA  24 -11.364   4.908   4.076
  169   3HB   ALA  24          3HB       ALA  24 -11.829   5.188   5.771
  170    H    ILE  25           H        ILE  25  -8.617   5.698   3.917
  171    HA   ILE  25           HA       ILE  25  -7.830   3.511   2.179
  172    HB   ILE  25           HB       ILE  25  -7.306   6.465   1.873
  173   1HG1  ILE  25          1HG1      ILE  25  -9.698   4.843   0.959
  174   2HG1  ILE  25          2HG1      ILE  25  -9.702   6.143   2.134
  175   1HG2  ILE  25          1HG2      ILE  25  -5.987   4.734   0.527
  176   2HG2  ILE  25          2HG2      ILE  25  -7.525   4.383  -0.299
  177   3HG2  ILE  25          3HG2      ILE  25  -6.826   6.018  -0.378
  178   1HD1  ILE  25          1HD1      ILE  25 -10.429   7.119   0.062
  179   2HD1  ILE  25          2HD1      ILE  25  -8.749   7.662   0.291
  180   3HD1  ILE  25          3HD1      ILE  25  -9.110   6.341  -0.846
  181    H    CYS  26           H        CYS  26  -6.610   2.722   4.271
  182    HA   CYS  26           HA       CYS  26  -4.337   4.072   5.108
  183   1HB   CYS  26          1HB       CYS  26  -3.861   2.224   6.357
  184   2HB   CYS  26          2HB       CYS  26  -5.581   2.013   6.094
  185    H    ALA  27           H        ALA  27  -5.089   2.092   2.262
  186    HA   ALA  27           HA       ALA  27  -2.659   1.181   1.466
  187   1HB   ALA  27          1HB       ALA  27  -4.805   0.767   0.317
  188   2HB   ALA  27          2HB       ALA  27  -4.834   2.456  -0.244
  189   3HB   ALA  27          3HB       ALA  27  -3.568   1.347  -0.824
  190    H    THR  28           H        THR  28  -3.886   4.532   1.494
  191    HA   THR  28           HA       THR  28  -1.525   5.458   0.060
  192    HB   THR  28           HB       THR  28  -4.045   6.827   1.140
  193    HG1  THR  28          1HG       THR  28  -4.081   5.284  -0.753
  194   1HG2  THR  28          1HG2      THR  28  -1.808   7.876  -0.675
  195   2HG2  THR  28          2HG2      THR  28  -3.344   8.715  -0.348
  196   3HG2  THR  28          3HG2      THR  28  -2.168   8.467   0.965
  197    H    TYR  29           H        TYR  29  -2.951   5.433   3.342
  198    HA   TYR  29           HA       TYR  29  -0.751   7.051   4.323
  199   1HB   TYR  29          1HB       TYR  29  -2.926   5.543   5.871
  200   2HB   TYR  29          2HB       TYR  29  -2.130   7.029   6.348
  201    HD1  TYR  29          1HD       TYR  29  -5.203   6.125   5.860
  202    HD2  TYR  29          2HD       TYR  29  -2.393   8.622   3.818
  203    HE1  TYR  29          1HE       TYR  29  -7.115   7.473   4.864
  204    HE2  TYR  29          2HE       TYR  29  -4.314   9.962   2.829
  205    HH   TYR  29           HH       TYR  29  -7.683   9.123   3.602
  206    H    THR  30           H        THR  30  -0.114   4.424   3.126
  207    HA   THR  30           HA       THR  30   1.195   3.287   5.479
  208    HB   THR  30           HB       THR  30  -1.046   2.088   4.889
  209    HG1  THR  30          1HG       THR  30   0.337   0.799   6.078
  210   1HG2  THR  30          1HG2      THR  30  -1.098   0.650   3.008
  211   2HG2  THR  30          2HG2      THR  30  -0.344   2.109   2.321
  212   3HG2  THR  30          3HG2      THR  30   0.667   0.721   2.789
  213    H    GLY  31           H        GLY  31   1.792   4.992   2.956
  214   1HA   GLY  31          1HA       GLY  31   3.862   5.199   1.955
  215   2HA   GLY  31          2HA       GLY  31   4.222   3.519   2.300
  216    H    CYS  32           H        CYS  32   1.821   2.293   1.263
  217    HA   CYS  32           HA       CYS  32   2.543   1.989  -1.382
  218   1HB   CYS  32          1HB       CYS  32   0.217   1.200   0.293
  219   2HB   CYS  32          2HB       CYS  32  -0.002   1.137  -1.445
  220    H    ILE  33           H        ILE  33   1.100   2.518  -3.334
  221    HA   ILE  33           HA       ILE  33  -0.450   4.958  -2.947
  222    HB   ILE  33           HB       ILE  33   0.671   6.018  -4.860
  223   1HG1  ILE  33          1HG1      ILE  33   2.699   3.775  -4.617
  224   2HG1  ILE  33          2HG1      ILE  33   1.532   3.943  -5.914
  225   1HG2  ILE  33          1HG2      ILE  33   2.531   6.855  -3.644
  226   2HG2  ILE  33          2HG2      ILE  33   1.274   6.454  -2.450
  227   3HG2  ILE  33          3HG2      ILE  33   2.663   5.365  -2.679
  228   1HD1  ILE  33          1HD1      ILE  33   2.510   6.278  -6.348
  229   2HD1  ILE  33          2HD1      ILE  33   3.817   5.835  -5.224
  230   3HD1  ILE  33          3HD1      ILE  33   3.581   4.907  -6.725
  231    H    ILE  34           H        ILE  34  -1.331   5.520  -5.396
  232    HA   ILE  34           HA       ILE  34  -2.592   3.005  -6.194
  233    HB   ILE  34           HB       ILE  34  -3.404   5.881  -6.633
  234   1HG1  ILE  34          1HG1      ILE  34  -4.652   3.772  -4.848
  235   2HG1  ILE  34          2HG1      ILE  34  -3.558   5.018  -4.282
  236   1HG2  ILE  34          1HG2      ILE  34  -4.092   4.433  -8.497
  237   2HG2  ILE  34          2HG2      ILE  34  -4.888   3.335  -7.344
  238   3HG2  ILE  34          3HG2      ILE  34  -5.481   5.002  -7.541
  239   1HD1  ILE  34          1HD1      ILE  34  -5.749   5.897  -3.911
  240   2HD1  ILE  34          2HD1      ILE  34  -5.165   6.728  -5.373
  241   3HD1  ILE  34          3HD1      ILE  34  -6.314   5.376  -5.516
  242    H    ILE  35           H        ILE  35  -2.114   2.057  -8.111
  243    HA   ILE  35           HA       ILE  35  -0.352   3.572  -9.886
  244    HB   ILE  35           HB       ILE  35   0.383   1.475 -10.730
  245   1HG1  ILE  35          1HG1      ILE  35  -1.899   0.275  -9.148
  246   2HG1  ILE  35          2HG1      ILE  35  -1.645   0.222 -10.881
  247   1HG2  ILE  35          1HG2      ILE  35   0.190   1.067  -7.745
  248   2HG2  ILE  35          2HG2      ILE  35   1.510   0.617  -8.852
  249   3HG2  ILE  35          3HG2      ILE  35   1.209   2.331  -8.475
  250   1HD1  ILE  35          1HD1      ILE  35  -0.946  -1.918 -10.048
  251   2HD1  ILE  35          2HD1      ILE  35   0.553  -1.028 -10.406
  252   3HD1  ILE  35          3HD1      ILE  35  -0.013  -1.177  -8.725
  253    HA   PRO  36           HA       PRO  36  -3.601   3.918 -12.722
  254   1HB   PRO  36          1HB       PRO  36  -2.194   4.744 -14.915
  255   2HB   PRO  36          2HB       PRO  36  -2.687   5.828 -13.628
  256   1HG   PRO  36          1HG       PRO  36  -0.003   4.728 -14.198
  257   2HG   PRO  36          2HG       PRO  36  -0.437   6.110 -13.212
  258   1HD   PRO  36          1HD       PRO  36   0.330   3.509 -12.278
  259   2HD   PRO  36          2HD       PRO  36  -0.215   4.855 -11.298
  260    H    GLY  37           H        GLY  37  -3.764   1.489 -12.374
  261   1HA   GLY  37          1HA       GLY  37  -4.227  -0.462 -13.399
  262   2HA   GLY  37          2HA       GLY  37  -4.021   0.332 -14.947
  263    H    ALA  38           H        ALA  38  -2.438  -1.528 -12.371
  264    HA   ALA  38           HA       ALA  38  -0.325  -2.303 -12.191
  265   1HB   ALA  38          1HB       ALA  38  -1.597  -4.006 -13.427
  266   2HB   ALA  38          2HB       ALA  38  -1.160  -3.231 -14.969
  267   3HB   ALA  38          3HB       ALA  38   0.100  -3.985 -13.963
  268    H    THR  39           H        THR  39   0.269   0.202 -12.420
  269    HA   THR  39           HA       THR  39   2.409   0.262 -14.410
  270    HB   THR  39           HB       THR  39   0.221   2.374 -14.047
  271    HG1  THR  39          1HG       THR  39   1.273   0.720 -16.235
  272   1HG2  THR  39          1HG2      THR  39   2.864   2.388 -15.576
  273   2HG2  THR  39          2HG2      THR  39   1.483   3.392 -16.079
  274   3HG2  THR  39          3HG2      THR  39   2.229   3.641 -14.482
  275    H    CYS  40           H        CYS  40   3.320  -0.427 -12.171
  276    HA   CYS  40           HA       CYS  40   3.489   1.609 -10.220
  277   1HB   CYS  40          1HB       CYS  40   5.310  -0.778 -10.565
  278   2HB   CYS  40          2HB       CYS  40   5.072   0.171  -9.112
  279    HA   PRO  41           HA       PRO  41   6.749   3.852 -12.057
  280   1HB   PRO  41          1HB       PRO  41   7.595   5.320  -9.912
  281   2HB   PRO  41          2HB       PRO  41   6.199   5.753 -10.879
  282   1HG   PRO  41          1HG       PRO  41   6.282   4.559  -8.176
  283   2HG   PRO  41          2HG       PRO  41   4.955   5.380  -8.974
  284   1HD   PRO  41          1HD       PRO  41   5.253   2.550  -8.610
  285   2HD   PRO  41          2HD       PRO  41   3.987   3.364  -9.507
  286    H    GLY  42           H        GLY  42   9.140   4.469 -11.825
  287   1HA   GLY  42          1HA       GLY  42  10.503   1.984 -11.346
  288   2HA   GLY  42          2HA       GLY  42  11.190   3.496 -11.905
  289    H    ASP  43           H        ASP  43   9.746   4.894  -9.506
  290    HA   ASP  43           HA       ASP  43  11.974   4.862  -7.842
  291   1HB   ASP  43          1HB       ASP  43   9.133   5.789  -7.210
  292   2HB   ASP  43          2HB       ASP  43  10.576   6.268  -6.340
  293    HD2  ASP  43           HD       ASP  43   9.955   7.885  -9.965
  294    H    TYR  44           H        TYR  44   8.673   3.383  -7.696
  295    HA   TYR  44           HA       TYR  44   9.279   2.124  -5.152
  296   1HB   TYR  44          1HB       TYR  44   6.959   2.523  -7.085
  297   2HB   TYR  44          2HB       TYR  44   6.844   1.178  -5.968
  298    HD1  TYR  44          1HD       TYR  44   5.091   1.864  -4.546
  299    HD2  TYR  44          2HD       TYR  44   8.352   4.527  -5.302
  300    HE1  TYR  44          1HE       TYR  44   4.232   3.438  -2.744
  301    HE2  TYR  44          2HE       TYR  44   7.483   6.093  -3.498
  302    HH   TYR  44           HH       TYR  44   4.693   5.190  -1.520
  303    H    ALA  45           H        ALA  45   8.472   1.185  -8.563
  304    HA   ALA  45           HA       ALA  45   9.102  -0.594  -9.740
  305   1HB   ALA  45          1HB       ALA  45  10.606  -1.796  -7.421
  306   2HB   ALA  45          2HB       ALA  45  10.995  -1.821  -9.158
  307   3HB   ALA  45          3HB       ALA  45  11.238  -0.333  -8.213
  308    H    ASN  46           H        ASN  46   8.775  -1.755  -6.304
  309    HA   ASN  46           HA       ASN  46   6.415  -3.188  -7.187
  310   1HB   ASN  46          1HB       ASN  46   7.187  -5.190  -5.820
  311   2HB   ASN  46          2HB       ASN  46   8.166  -4.893  -7.243
  312   1HD2  ASN  46          2HD2      ASN  46   8.009  -4.930  -3.802
  313   2HD2  ASN  46          1HD2      ASN  46   9.672  -4.602  -3.450
  Start of MODEL    6
    1    H    THR   1           H        THR   1  -2.677   5.592  -5.451
    2    HA   THR   1           HA       THR   1  -0.457   3.862  -6.077
    3    HB   THR   1           HB       THR   1   0.725   6.186  -5.824
    4    HG1  THR   1          1HG       THR   1  -1.068   7.031  -4.491
    5   1HG2  THR   1          1HG2      THR   1  -0.056   5.307  -8.064
    6   2HG2  THR   1          2HG2      THR   1  -1.660   6.006  -7.740
    7   3HG2  THR   1          3HG2      THR   1  -0.246   7.071  -7.922
    8    H    THR   2           H        THR   2   1.135   3.107  -4.762
    9    HA   THR   2           HA       THR   2   1.147   4.040  -1.993
   10    HB   THR   2           HB       THR   2   0.882   1.112  -2.860
   11    HG1  THR   2          1HG       THR   2  -0.806   3.051  -1.438
   12   1HG2  THR   2          1HG2      THR   2   2.180   1.419  -0.724
   13   2HG2  THR   2          2HG2      THR   2   0.856   2.427  -0.092
   14   3HG2  THR   2          3HG2      THR   2   0.578   0.702  -0.427
   15    H    CYS   3           H        CYS   3   3.146   4.015  -1.007
   16    HA   CYS   3           HA       CYS   3   5.319   3.388  -2.850
   17   1HB   CYS   3          1HB       CYS   3   5.773   4.880  -0.308
   18   2HB   CYS   3          2HB       CYS   3   6.591   5.013  -1.853
   19    H    CYS   4           H        CYS   4   6.237   1.392  -2.523
   20    HA   CYS   4           HA       CYS   4   6.418   0.483   0.256
   21   1HB   CYS   4          1HB       CYS   4   5.714  -1.138  -2.194
   22   2HB   CYS   4          2HB       CYS   4   6.230  -1.856  -0.681
   23    HA   PRO   5           HA       PRO   5  10.628   0.019  -0.763
   24   1HB   PRO   5          1HB       PRO   5  11.450  -1.808   1.096
   25   2HB   PRO   5          2HB       PRO   5  11.237  -0.106   1.454
   26   1HG   PRO   5          1HG       PRO   5   9.507  -2.386   2.193
   27   2HG   PRO   5          2HG       PRO   5   9.551  -0.775   2.880
   28   1HD   PRO   5          1HD       PRO   5   7.597  -1.807   1.052
   29   2HD   PRO   5          2HD       PRO   5   7.709  -0.163   1.648
   30    H    SER   6           H        SER   6   8.612  -2.776  -0.745
   31    HA   SER   6           HA       SER   6  10.603  -4.142  -2.351
   32   1HB   SER   6          1HB       SER   6   7.982  -5.180  -1.183
   33   2HB   SER   6          2HB       SER   6   9.181  -6.152  -2.013
   34    HG   SER   6           HG       SER   6  10.708  -5.659  -0.326
   35    H    ILE   7           H        ILE   7   7.184  -2.982  -2.347
   36    HA   ILE   7           HA       ILE   7   5.968  -2.230  -4.064
   37    HB   ILE   7           HB       ILE   7   8.482  -2.227  -5.202
   38   1HG1  ILE   7          1HG1      ILE   7   7.263  -0.910  -7.042
   39   2HG1  ILE   7          2HG1      ILE   7   5.788  -1.251  -6.161
   40   1HG2  ILE   7          1HG2      ILE   7   7.841  -4.462  -6.227
   41   2HG2  ILE   7          2HG2      ILE   7   6.651  -3.564  -7.199
   42   3HG2  ILE   7          3HG2      ILE   7   8.386  -3.194  -7.352
   43   1HD1  ILE   7          1HD1      ILE   7   6.886   0.956  -5.556
   44   2HD1  ILE   7          2HD1      ILE   7   6.613  -0.126  -4.170
   45   3HD1  ILE   7          3HD1      ILE   7   8.241   0.026  -4.873
   46    H    VAL   8           H        VAL   8   7.153  -5.413  -3.538
   47    HA   VAL   8           HA       VAL   8   5.281  -6.646  -5.365
   48    HB   VAL   8           HB       VAL   8   7.197  -7.773  -3.314
   49   1HG1  VAL   8          1HG1      VAL   8   5.456  -9.136  -5.389
   50   2HG1  VAL   8          2HG1      VAL   8   6.842  -9.921  -4.595
   51   3HG1  VAL   8          3HG1      VAL   8   5.452  -9.378  -3.625
   52   1HG2  VAL   8          1HG2      VAL   8   7.403  -7.474  -6.328
   53   2HG2  VAL   8          2HG2      VAL   8   8.395  -6.661  -5.094
   54   3HG2  VAL   8          3HG2      VAL   8   8.528  -8.421  -5.324
   55    H    ALA   9           H        ALA   9   5.448  -5.500  -2.060
   56    HA   ALA   9           HA       ALA   9   3.523  -7.242  -0.958
   57   1HB   ALA   9          1HB       ALA   9   5.192  -5.841   0.299
   58   2HB   ALA   9          2HB       ALA   9   4.242  -4.400  -0.138
   59   3HB   ALA   9          3HB       ALA   9   3.521  -5.665   0.886
   60    H    ARG  10           H        ARG  10   3.343  -4.718  -3.303
   61    HA   ARG  10           HA       ARG  10   0.982  -3.515  -2.691
   62   1HB   ARG  10          1HB       ARG  10   2.608  -2.987  -4.608
   63   2HB   ARG  10          2HB       ARG  10   1.875  -4.300  -5.509
   64   1HG   ARG  10          1HG       ARG  10   0.420  -2.712  -6.269
   65   2HG   ARG  10          2HG       ARG  10  -0.371  -2.902  -4.717
   66   1HD   ARG  10          1HD       ARG  10   0.045  -0.521  -5.084
   67   2HD   ARG  10          2HD       ARG  10   1.079  -1.065  -3.778
   68    HE   ARG  10           HE       ARG  10   2.154  -0.980  -6.569
   69   1HH1  ARG  10          2HH2      ARG  10   3.048  -0.884  -3.262
   70   2HH1  ARG  10          1HH2      ARG  10   3.968   0.580  -3.345
   71   1HH2  ARG  10          2HH1      ARG  10   3.588   0.899  -6.845
   72   2HH2  ARG  10          1HH1      ARG  10   4.441   1.480  -5.454
   73    H    SER  11           H        SER  11   1.651  -6.740  -4.052
   74    HA   SER  11           HA       SER  11  -0.810  -7.269  -5.148
   75   1HB   SER  11          1HB       SER  11  -0.189  -9.665  -4.862
   76   2HB   SER  11          2HB       SER  11   1.132  -8.713  -5.509
   77    HG   SER  11           HG       SER  11   2.233  -8.823  -3.582
   78    H    ASN  12           H        ASN  12   0.352  -7.339  -1.768
   79    HA   ASN  12           HA       ASN  12  -1.974  -8.683  -0.843
   80   1HB   ASN  12          1HB       ASN  12   0.125  -7.102   0.732
   81   2HB   ASN  12          2HB       ASN  12  -1.016  -8.243   1.413
   82   1HD2  ASN  12          2HD2      ASN  12  -0.925 -10.473   0.687
   83   2HD2  ASN  12          1HD2      ASN  12   0.597 -11.185   0.265
   84    H    PHE  13           H        PHE  13  -0.702  -5.343  -1.159
   85    HA   PHE  13           HA       PHE  13  -2.640  -4.114   0.481
   86   1HB   PHE  13          1HB       PHE  13  -0.313  -3.301  -0.411
   87   2HB   PHE  13          2HB       PHE  13  -1.113  -2.994  -1.939
   88    HD1  PHE  13          1HD       PHE  13  -0.634  -1.843   1.473
   89    HD2  PHE  13          2HD       PHE  13  -2.804  -1.208  -2.118
   90    HE1  PHE  13          1HE       PHE  13  -1.311   0.433   2.285
   91    HE2  PHE  13          2HE       PHE  13  -3.482   1.068  -1.305
   92    HZ   PHE  13           HZ       PHE  13  -2.727   1.862   0.886
   93    H    ASN  14           H        ASN  14  -2.649  -5.339  -2.817
   94    HA   ASN  14           HA       ASN  14  -4.552  -3.650  -3.888
   95   1HB   ASN  14          1HB       ASN  14  -3.778  -6.549  -4.445
   96   2HB   ASN  14          2HB       ASN  14  -5.033  -5.759  -5.380
   97   1HD2  ASN  14          2HD2      ASN  14  -2.821  -6.695  -6.614
   98   2HD2  ASN  14          1HD2      ASN  14  -1.796  -5.413  -7.168
   99    H    VAL  15           H        VAL  15  -4.701  -6.313  -1.578
  100    HA   VAL  15           HA       VAL  15  -7.382  -7.072  -1.997
  101    HB   VAL  15           HB       VAL  15  -5.581  -7.289   0.423
  102   1HG1  VAL  15          1HG1      VAL  15  -7.095  -9.175   1.066
  103   2HG1  VAL  15          2HG1      VAL  15  -7.869  -7.573   1.128
  104   3HG1  VAL  15          3HG1      VAL  15  -8.203  -8.670  -0.233
  105   1HG2  VAL  15          1HG2      VAL  15  -6.107  -9.165  -1.902
  106   2HG2  VAL  15          2HG2      VAL  15  -4.565  -8.405  -1.441
  107   3HG2  VAL  15          3HG2      VAL  15  -5.290  -9.651  -0.397
  108    H    CYS  16           H        CYS  16  -5.774  -4.449  -0.211
  109    HA   CYS  16           HA       CYS  16  -8.114  -3.799   1.283
  110   1HB   CYS  16          1HB       CYS  16  -5.374  -2.675   0.963
  111   2HB   CYS  16          2HB       CYS  16  -6.631  -1.588   1.520
  112    H    ARG  17           H        ARG  17  -6.498  -2.820  -1.769
  113    HA   ARG  17           HA       ARG  17  -8.030  -0.541  -2.186
  114   1HB   ARG  17          1HB       ARG  17  -6.476  -2.389  -4.048
  115   2HB   ARG  17          2HB       ARG  17  -7.320  -0.983  -4.665
  116   1HG   ARG  17          1HG       ARG  17  -6.029   0.482  -3.100
  117   2HG   ARG  17          2HG       ARG  17  -5.187  -0.923  -2.477
  118   1HD   ARG  17          1HD       ARG  17  -4.195  -1.372  -4.694
  119   2HD   ARG  17          2HD       ARG  17  -5.133  -0.079  -5.415
  120    HE   ARG  17           HE       ARG  17  -2.676   0.218  -3.911
  121   1HH1  ARG  17          2HH2      ARG  17  -5.603   1.853  -4.950
  122   2HH1  ARG  17          1HH2      ARG  17  -5.038   3.429  -4.505
  123   1HH2  ARG  17          2HH1      ARG  17  -2.022   2.276  -3.101
  124   2HH2  ARG  17          1HH1      ARG  17  -2.934   3.679  -3.550
  125    H    LEU  18           H        LEU  18  -8.462  -4.013  -2.986
  126    HA   LEU  18           HA       LEU  18 -10.768  -3.515  -4.617
  127   1HB   LEU  18          1HB       LEU  18  -9.114  -5.820  -3.804
  128   2HB   LEU  18          2HB       LEU  18 -10.808  -6.176  -4.074
  129    HG   LEU  18           HG       LEU  18 -10.604  -5.113  -6.345
  130   1HD1  LEU  18          1HD1      LEU  18  -8.641  -3.713  -5.891
  131   2HD1  LEU  18          2HD1      LEU  18  -7.634  -5.173  -5.741
  132   3HD1  LEU  18          3HD1      LEU  18  -8.390  -4.770  -7.301
  133   1HD2  LEU  18          1HD2      LEU  18  -9.457  -7.039  -7.365
  134   2HD2  LEU  18          2HD2      LEU  18  -8.837  -7.506  -5.764
  135   3HD2  LEU  18          3HD2      LEU  18 -10.588  -7.527  -6.081
  136    HA   PRO  19           HA       PRO  19 -13.768  -3.723  -1.523
  137   1HB   PRO  19          1HB       PRO  19 -15.870  -4.963  -2.754
  138   2HB   PRO  19          2HB       PRO  19 -15.474  -3.275  -3.003
  139   1HG   PRO  19          1HG       PRO  19 -15.020  -5.571  -4.809
  140   2HG   PRO  19          2HG       PRO  19 -15.031  -3.860  -5.190
  141   1HD   PRO  19          1HD       PRO  19 -12.724  -5.540  -4.903
  142   2HD   PRO  19          2HD       PRO  19 -12.732  -3.808  -5.168
  143    H    GLY  20           H        GLY  20 -12.178  -6.421  -2.470
  144   1HA   GLY  20          1HA       GLY  20 -13.465  -8.589  -1.498
  145   2HA   GLY  20          2HA       GLY  20 -11.744  -8.316  -1.317
  146    H    THR  21           H        THR  21 -11.321  -6.448   0.527
  147    HA   THR  21           HA       THR  21 -13.054  -7.088   2.812
  148    HB   THR  21           HB       THR  21 -11.001  -7.434   4.174
  149    HG1  THR  21          1HG       THR  21  -8.985  -7.173   3.079
  150   1HG2  THR  21          1HG2      THR  21 -11.920  -9.411   2.778
  151   2HG2  THR  21          2HG2      THR  21 -10.656  -9.024   1.587
  152   3HG2  THR  21          3HG2      THR  21 -10.203  -9.520   3.235
  153    H    SER  22           H        SER  22 -10.016  -5.175   2.424
  154    HA   SER  22           HA       SER  22  -9.578  -3.086   2.808
  155   1HB   SER  22          1HB       SER  22 -10.891  -1.452   1.778
  156   2HB   SER  22          2HB       SER  22 -11.438  -2.900   0.957
  157    HG   SER  22           HG       SER  22 -13.302  -2.967   2.278
  158    H    GLU  23           H        GLU  23 -10.818  -4.879   4.942
  159    HA   GLU  23           HA       GLU  23 -12.185  -2.951   6.586
  160   1HB   GLU  23          1HB       GLU  23 -11.552  -5.909   6.921
  161   2HB   GLU  23          2HB       GLU  23 -12.295  -4.960   8.194
  162   1HG   GLU  23          1HG       GLU  23 -14.167  -4.351   6.650
  163   2HG   GLU  23          2HG       GLU  23 -13.422  -5.290   5.372
  164    HE2  GLU  23           HE       GLU  23 -15.620  -6.016   5.787
  165    H    ALA  24           H        ALA  24  -9.267  -5.113   6.809
  166    HA   ALA  24           HA       ALA  24  -8.301  -3.531   9.039
  167   1HB   ALA  24          1HB       ALA  24  -7.155  -5.979   7.634
  168   2HB   ALA  24          2HB       ALA  24  -6.568  -5.274   9.159
  169   3HB   ALA  24          3HB       ALA  24  -8.189  -6.006   9.083
  170    H    ILE  25           H        ILE  25  -5.866  -2.925   8.953
  171    HA   ILE  25           HA       ILE  25  -5.511  -1.412   6.507
  172    HB   ILE  25           HB       ILE  25  -3.925  -1.398   9.078
  173   1HG1  ILE  25          1HG1      ILE  25  -6.190   0.415   8.194
  174   2HG1  ILE  25          2HG1      ILE  25  -6.291  -0.808   9.445
  175   1HG2  ILE  25          1HG2      ILE  25  -2.988   0.673   8.316
  176   2HG2  ILE  25          2HG2      ILE  25  -2.740  -0.554   7.051
  177   3HG2  ILE  25          3HG2      ILE  25  -4.020   0.668   6.866
  178   1HD1  ILE  25          1HD1      ILE  25  -5.883   1.238  10.609
  179   2HD1  ILE  25          2HD1      ILE  25  -4.311   0.403  10.592
  180   3HD1  ILE  25          3HD1      ILE  25  -4.624   1.736   9.454
  181    H    CYS  26           H        CYS  26  -4.246  -2.061   4.852
  182    HA   CYS  26           HA       CYS  26  -2.713  -4.470   5.229
  183   1HB   CYS  26          1HB       CYS  26  -3.236  -2.799   2.763
  184   2HB   CYS  26          2HB       CYS  26  -2.343  -4.306   2.781
  185    H    ALA  27           H        ALA  27  -2.328  -0.954   4.932
  186    HA   ALA  27           HA       ALA  27   0.287  -0.765   4.102
  187   1HB   ALA  27          1HB       ALA  27  -1.392   1.086   4.459
  188   2HB   ALA  27          2HB       ALA  27  -1.080   0.955   6.207
  189   3HB   ALA  27          3HB       ALA  27   0.230   1.435   5.102
  190    H    THR  28           H        THR  28  -1.074  -1.885   7.171
  191    HA   THR  28           HA       THR  28   1.438  -1.656   8.571
  192    HB   THR  28           HB       THR  28  -0.183  -3.192  10.148
  193    HG1  THR  28          1HG       THR  28  -1.949  -3.348   8.743
  194   1HG2  THR  28          1HG2      THR  28  -0.645  -0.212   9.599
  195   2HG2  THR  28          2HG2      THR  28  -1.164  -1.093  11.056
  196   3HG2  THR  28          3HG2      THR  28   0.570  -0.864  10.725
  197    H    TYR  29           H        TYR  29  -0.544  -4.281   7.087
  198    HA   TYR  29           HA       TYR  29   1.184  -6.349   7.874
  199   1HB   TYR  29          1HB       TYR  29  -0.928  -5.783   5.739
  200   2HB   TYR  29          2HB       TYR  29  -0.043  -7.293   5.648
  201    HD1  TYR  29          1HD       TYR  29  -3.051  -6.053   6.612
  202    HD2  TYR  29          2HD       TYR  29   0.155  -8.358   8.260
  203    HE1  TYR  29          1HE       TYR  29  -4.654  -7.099   8.287
  204    HE2  TYR  29          2HE       TYR  29  -1.458  -9.395   9.928
  205    HH   TYR  29           HH       TYR  29  -3.486  -9.487  10.650
  206    H    THR  30           H        THR  30   1.329  -3.941   5.293
  207    HA   THR  30           HA       THR  30   3.470  -5.461   3.983
  208    HB   THR  30           HB       THR  30   3.061  -3.780   2.145
  209    HG1  THR  30          1HG       THR  30   1.381  -2.236   2.587
  210   1HG2  THR  30          1HG2      THR  30   1.614  -5.884   2.270
  211   2HG2  THR  30          2HG2      THR  30   0.422  -4.932   3.187
  212   3HG2  THR  30          3HG2      THR  30   0.807  -4.494   1.505
  213    H    GLY  31           H        GLY  31   2.841  -2.765   6.118
  214   1HA   GLY  31          1HA       GLY  31   4.367  -1.580   7.315
  215   2HA   GLY  31          2HA       GLY  31   5.673  -2.352   6.438
  216    H    CYS  32           H        CYS  32   3.192  -1.086   4.363
  217    HA   CYS  32           HA       CYS  32   5.022   0.986   3.521
  218   1HB   CYS  32          1HB       CYS  32   2.379   0.209   2.281
  219   2HB   CYS  32          2HB       CYS  32   3.647   1.182   1.563
  220    H    ILE  33           H        ILE  33   3.387   2.998   2.589
  221    HA   ILE  33           HA       ILE  33   1.764   3.755   4.913
  222    HB   ILE  33           HB       ILE  33   2.602   6.072   4.599
  223   1HG1  ILE  33          1HG1      ILE  33   3.515   5.347   2.201
  224   2HG1  ILE  33          2HG1      ILE  33   4.202   6.678   3.111
  225   1HG2  ILE  33          1HG2      ILE  33   4.791   5.661   5.714
  226   2HG2  ILE  33          2HG2      ILE  33   3.436   4.753   6.424
  227   3HG2  ILE  33          3HG2      ILE  33   4.601   3.927   5.361
  228   1HD1  ILE  33          1HD1      ILE  33   5.251   3.820   3.299
  229   2HD1  ILE  33          2HD1      ILE  33   5.909   5.040   2.183
  230   3HD1  ILE  33          3HD1      ILE  33   6.016   5.293   3.942
  231    H    ILE  34           H        ILE  34   0.187   5.565   4.347
  232    HA   ILE  34           HA       ILE  34  -0.874   4.975   1.687
  233    HB   ILE  34           HB       ILE  34  -2.187   6.152   4.139
  234   1HG1  ILE  34          1HG1      ILE  34  -2.531   3.408   2.898
  235   2HG1  ILE  34          2HG1      ILE  34  -1.533   3.740   4.300
  236   1HG2  ILE  34          1HG2      ILE  34  -3.412   5.347   1.486
  237   2HG2  ILE  34          2HG2      ILE  34  -4.284   5.935   2.922
  238   3HG2  ILE  34          3HG2      ILE  34  -3.163   7.014   2.058
  239   1HD1  ILE  34          1HD1      ILE  34  -3.642   4.809   5.362
  240   2HD1  ILE  34          2HD1      ILE  34  -4.548   4.036   4.040
  241   3HD1  ILE  34          3HD1      ILE  34  -3.632   3.037   5.193
  242    H    ILE  35           H        ILE  35  -1.124   6.548   0.130
  243    HA   ILE  35           HA       ILE  35  -0.360   9.264   0.940
  244    HB   ILE  35           HB       ILE  35   1.104   9.515  -0.794
  245   1HG1  ILE  35          1HG1      ILE  35  -0.305   7.223  -2.177
  246   2HG1  ILE  35          2HG1      ILE  35  -0.289   8.913  -2.641
  247   1HG2  ILE  35          1HG2      ILE  35   1.493   6.553  -0.387
  248   2HG2  ILE  35          2HG2      ILE  35   2.715   7.828  -0.606
  249   3HG2  ILE  35          3HG2      ILE  35   1.794   7.731   0.914
  250   1HD1  ILE  35          1HD1      ILE  35   1.968   6.892  -2.803
  251   2HD1  ILE  35          2HD1      ILE  35   1.308   7.932  -4.088
  252   3HD1  ILE  35          3HD1      ILE  35   2.310   8.639  -2.798
  253    HA   PRO  36           HA       PRO  36  -3.888  10.500  -1.213
  254   1HB   PRO  36          1HB       PRO  36  -3.210  12.949  -2.218
  255   2HB   PRO  36          2HB       PRO  36  -3.659  12.691  -0.544
  256   1HG   PRO  36          1HG       PRO  36  -0.975  13.157  -1.691
  257   2HG   PRO  36          2HG       PRO  36  -1.501  13.320  -0.028
  258   1HD   PRO  36          1HD       PRO  36   0.031  11.166  -1.140
  259   2HD   PRO  36          2HD       PRO  36  -0.594  11.273   0.494
  260    H    GLY  37           H        GLY  37  -1.111  11.294  -3.254
  261   1HA   GLY  37          1HA       GLY  37  -1.624   9.497  -5.260
  262   2HA   GLY  37          2HA       GLY  37  -2.620  10.885  -5.651
  263    H    ALA  38           H        ALA  38   0.202   9.546  -6.500
  264    HA   ALA  38           HA       ALA  38   2.177  10.241  -7.244
  265   1HB   ALA  38          1HB       ALA  38   0.605  11.271  -8.870
  266   2HB   ALA  38          2HB       ALA  38   0.583  12.755  -7.887
  267   3HB   ALA  38          3HB       ALA  38   2.091  12.232  -8.675
  268    H    THR  39           H        THR  39   1.798  10.562  -4.414
  269    HA   THR  39           HA       THR  39   3.702  12.737  -3.983
  270    HB   THR  39           HB       THR  39   1.067  12.347  -2.466
  271    HG1  THR  39          1HG       THR  39   0.748  13.525  -4.400
  272   1HG2  THR  39          1HG2      THR  39   3.321  14.399  -2.144
  273   2HG2  THR  39          2HG2      THR  39   1.737  14.487  -1.338
  274   3HG2  THR  39          3HG2      THR  39   2.863  13.166  -0.944
  275    H    CYS  40           H        CYS  40   5.134  10.821  -4.009
  276    HA   CYS  40           HA       CYS  40   4.796   9.097  -1.705
  277   1HB   CYS  40          1HB       CYS  40   6.385   9.010  -4.216
  278   2HB   CYS  40          2HB       CYS  40   7.082   8.230  -2.810
  279    HA   PRO  41           HA       PRO  41   7.544  11.801   0.420
  280   1HB   PRO  41          1HB       PRO  41   7.410  10.591   2.867
  281   2HB   PRO  41          2HB       PRO  41   6.247  11.784   2.323
  282   1HG   PRO  41          1HG       PRO  41   5.933   8.852   2.538
  283   2HG   PRO  41          2HG       PRO  41   4.692  10.083   2.413
  284   1HD   PRO  41          1HD       PRO  41   5.594   8.337   0.324
  285   2HD   PRO  41          2HD       PRO  41   4.437   9.644   0.170
  286    H    GLY  42           H        GLY  42   9.504  11.552   2.023
  287   1HA   GLY  42          1HA       GLY  42  11.327   9.850   0.575
  288   2HA   GLY  42          2HA       GLY  42  11.695  10.949   1.889
  289    H    ASP  43           H        ASP  43   9.548   8.031   1.501
  290    HA   ASP  43           HA       ASP  43  10.711   7.079   3.994
  291   1HB   ASP  43          1HB       ASP  43   8.027   6.706   2.644
  292   2HB   ASP  43          2HB       ASP  43   8.594   5.468   3.748
  293    HD2  ASP  43           HD       ASP  43   8.585   8.845   3.655
  294    H    TYR  44           H        TYR  44   9.313   5.940   0.819
  295    HA   TYR  44           HA       TYR  44  11.489   3.991   0.652
  296   1HB   TYR  44          1HB       TYR  44   8.463   3.570   0.236
  297   2HB   TYR  44          2HB       TYR  44   9.671   2.350  -0.112
  298    HD1  TYR  44          1HD       TYR  44   7.214   2.981   2.095
  299    HD2  TYR  44          2HD       TYR  44  11.434   2.276   2.143
  300    HE1  TYR  44          1HE       TYR  44   7.052   2.130   4.486
  301    HE2  TYR  44          2HE       TYR  44  11.258   1.428   4.534
  302    HH   TYR  44           HH       TYR  44   9.962   1.021   6.205
  303    H    ALA  45           H        ALA  45   8.587   5.417  -1.006
  304    HA   ALA  45           HA       ALA  45   8.400   6.334  -3.024
  305   1HB   ALA  45          1HB       ALA  45  11.293   5.829  -3.701
  306   2HB   ALA  45          2HB       ALA  45  10.254   7.209  -4.128
  307   3HB   ALA  45          3HB       ALA  45  10.880   7.047  -2.470
  308    H    ASN  46           H        ASN  46  10.950   3.762  -3.390
  309    HA   ASN  46           HA       ASN  46   8.986   2.259  -4.903
  310   1HB   ASN  46          1HB       ASN  46  11.860   2.818  -5.809
  311   2HB   ASN  46          2HB       ASN  46  10.773   1.696  -6.604
  312   1HD2  ASN  46          2HD2      ASN  46   8.810   2.491  -7.532
  313   2HD2  ASN  46          1HD2      ASN  46   8.704   4.111  -8.136
  Start of MODEL    7
    1    H    THR   1           H        THR   1  -2.485   6.296   4.179
    2    HA   THR   1           HA       THR   1  -0.265   6.418   4.292
    3    HB   THR   1           HB       THR   1   0.951   4.477   5.386
    4    HG1  THR   1          1HG       THR   1  -1.791   3.468   5.102
    5   1HG2  THR   1          1HG2      THR   1  -1.747   5.095   6.702
    6   2HG2  THR   1          2HG2      THR   1  -0.293   4.476   7.521
    7   3HG2  THR   1          3HG2      THR   1  -0.302   6.123   6.847
    8    H    THR   2           H        THR   2  -1.755   3.725   2.557
    9    HA   THR   2           HA       THR   2   0.232   4.134   0.453
   10    HB   THR   2           HB       THR   2  -0.531   1.431   1.680
   11    HG1  THR   2          1HG       THR   2   1.098   2.455   2.910
   12   1HG2  THR   2          1HG2      THR   2   1.400   2.164  -0.585
   13   2HG2  THR   2          2HG2      THR   2   1.236   0.549   0.145
   14   3HG2  THR   2          3HG2      THR   2  -0.114   1.248  -0.781
   15    H    CYS   3           H        CYS   3  -0.553   3.934  -1.626
   16    HA   CYS   3           HA       CYS   3  -3.399   3.255  -1.777
   17   1HB   CYS   3          1HB       CYS   3  -1.965   5.676  -2.739
   18   2HB   CYS   3          2HB       CYS   3  -3.178   4.999  -3.806
   19    H    CYS   4           H        CYS   4  -3.523   1.365  -2.939
   20    HA   CYS   4           HA       CYS   4  -1.441   0.875  -4.916
   21   1HB   CYS   4          1HB       CYS   4  -3.435  -0.974  -3.596
   22   2HB   CYS   4          2HB       CYS   4  -2.362  -1.461  -4.893
   23    HA   PRO   5           HA       PRO   5  -4.344   1.490  -8.105
   24   1HB   PRO   5          1HB       PRO   5  -3.295  -0.026 -10.122
   25   2HB   PRO   5          2HB       PRO   5  -2.694   1.567  -9.709
   26   1HG   PRO   5          1HG       PRO   5  -1.491  -1.073  -9.140
   27   2HG   PRO   5          2HG       PRO   5  -0.731   0.506  -9.124
   28   1HD   PRO   5          1HD       PRO   5  -1.541  -1.032  -6.842
   29   2HD   PRO   5          2HD       PRO   5  -0.888   0.594  -6.832
   30    H    SER   6           H        SER   6  -3.499  -1.903  -7.686
   31    HA   SER   6           HA       SER   6  -6.221  -2.520  -8.474
   32   1HB   SER   6          1HB       SER   6  -5.473  -4.766  -8.853
   33   2HB   SER   6          2HB       SER   6  -4.231  -3.722  -9.518
   34    HG   SER   6           HG       SER   6  -2.838  -4.234  -7.883
   35    H    ILE   7           H        ILE   7  -7.396  -4.227  -7.134
   36    HA   ILE   7           HA       ILE   7  -7.051  -3.564  -4.336
   37    HB   ILE   7           HB       ILE   7  -9.204  -4.718  -4.072
   38   1HG1  ILE   7          1HG1      ILE   7  -9.467  -4.946  -7.054
   39   2HG1  ILE   7          2HG1      ILE   7  -8.660  -6.224  -6.168
   40   1HG2  ILE   7          1HG2      ILE   7  -9.176  -2.639  -6.278
   41   2HG2  ILE   7          2HG2      ILE   7 -10.559  -3.060  -5.240
   42   3HG2  ILE   7          3HG2      ILE   7  -9.109  -2.312  -4.530
   43   1HD1  ILE   7          1HD1      ILE   7 -11.462  -5.166  -5.575
   44   2HD1  ILE   7          2HD1      ILE   7 -11.078  -6.701  -6.390
   45   3HD1  ILE   7          3HD1      ILE   7 -10.642  -6.467  -4.680
   46    H    VAL   8           H        VAL   8  -5.821  -5.836  -6.514
   47    HA   VAL   8           HA       VAL   8  -5.920  -8.104  -4.764
   48    HB   VAL   8           HB       VAL   8  -4.410  -7.517  -7.316
   49   1HG1  VAL   8          1HG1      VAL   8  -4.087 -10.003  -7.411
   50   2HG1  VAL   8          2HG1      VAL   8  -3.175  -9.194  -6.114
   51   3HG1  VAL   8          3HG1      VAL   8  -4.664 -10.090  -5.729
   52   1HG2  VAL   8          1HG2      VAL   8  -6.815  -7.567  -7.652
   53   2HG2  VAL   8          2HG2      VAL   8  -6.086  -9.041  -8.334
   54   3HG2  VAL   8          3HG2      VAL   8  -6.938  -9.110  -6.772
   55    H    ALA   9           H        ALA   9  -3.598  -5.507  -5.653
   56    HA   ALA   9           HA       ALA   9  -1.406  -6.598  -4.284
   57   1HB   ALA   9          1HB       ALA   9  -0.535  -4.260  -4.452
   58   2HB   ALA   9          2HB       ALA   9  -1.177  -4.875  -5.994
   59   3HB   ALA   9          3HB       ALA   9  -2.138  -3.736  -5.021
   60    H    ARG  10           H        ARG  10  -4.310  -4.860  -3.258
   61    HA   ARG  10           HA       ARG  10  -3.332  -3.875  -0.872
   62   1HB   ARG  10          1HB       ARG  10  -6.138  -4.750  -1.710
   63   2HB   ARG  10          2HB       ARG  10  -5.818  -3.945  -0.186
   64   1HG   ARG  10          1HG       ARG  10  -4.904  -2.743  -2.829
   65   2HG   ARG  10          2HG       ARG  10  -6.524  -2.472  -2.219
   66   1HD   ARG  10          1HD       ARG  10  -5.342  -1.734   0.007
   67   2HD   ARG  10          2HD       ARG  10  -3.885  -1.634  -0.961
   68    HE   ARG  10           HE       ARG  10  -5.915  -0.241  -2.377
   69   1HH1  ARG  10          2HH2      ARG  10  -4.036   0.062   0.584
   70   2HH1  ARG  10          1HH2      ARG  10  -4.125   1.791   0.610
   71   1HH2  ARG  10          2HH1      ARG  10  -6.216   2.021  -2.215
   72   2HH2  ARG  10          1HH1      ARG  10  -5.515   2.894  -0.894
   73    H    SER  11           H        SER  11  -4.399  -7.103  -1.892
   74    HA   SER  11           HA       SER  11  -4.888  -8.113   0.665
   75   1HB   SER  11          1HB       SER  11  -5.684  -9.135  -1.488
   76   2HB   SER  11          2HB       SER  11  -4.036  -9.599  -1.859
   77    HG   SER  11           HG       SER  11  -5.684 -10.529   0.326
   78    H    ASN  12           H        ASN  12  -1.986  -7.939  -1.461
   79    HA   ASN  12           HA       ASN  12  -0.399  -9.589   0.121
   80   1HB   ASN  12          1HB       ASN  12   0.365  -7.308  -1.778
   81   2HB   ASN  12          2HB       ASN  12   1.509  -8.467  -1.132
   82   1HD2  ASN  12          2HD2      ASN  12   1.235 -10.715  -1.616
   83   2HD2  ASN  12          1HD2      ASN  12   0.499 -11.218  -3.101
   84    H    PHE  13           H        PHE  13  -1.281  -6.128   0.160
   85    HA   PHE  13           HA       PHE  13   0.747  -5.514   2.134
   86   1HB   PHE  13          1HB       PHE  13  -0.199  -4.084   0.096
   87   2HB   PHE  13          2HB       PHE  13  -1.580  -3.790   1.134
   88    HD1  PHE  13          1HD       PHE  13   2.087  -3.337   0.885
   89    HD2  PHE  13          2HD       PHE  13  -1.495  -2.149   2.825
   90    HE1  PHE  13          1HE       PHE  13   3.306  -1.428   1.967
   91    HE2  PHE  13          2HE       PHE  13  -0.276  -0.240   3.907
   92    HZ   PHE  13           HZ       PHE  13   2.110   0.097   3.465
   93    H    ASN  14           H        ASN  14  -1.093  -7.517   3.008
   94    HA   ASN  14           HA       ASN  14  -3.038  -6.125   4.594
   95   1HB   ASN  14          1HB       ASN  14  -2.356  -9.028   4.034
   96   2HB   ASN  14          2HB       ASN  14  -3.316  -8.654   5.451
   97   1HD2  ASN  14          2HD2      ASN  14  -4.526 -10.172   3.730
   98   2HD2  ASN  14          1HD2      ASN  14  -5.736  -9.344   2.809
   99    H    VAL  15           H        VAL  15  -0.035  -8.121   4.924
  100    HA   VAL  15           HA       VAL  15  -0.022  -8.048   7.760
  101    HB   VAL  15           HB       VAL  15   2.109  -8.675   5.709
  102   1HG1  VAL  15          1HG1      VAL  15   2.096  -9.052   8.719
  103   2HG1  VAL  15          2HG1      VAL  15   3.239  -9.858   7.618
  104   3HG1  VAL  15          3HG1      VAL  15   3.230  -8.083   7.748
  105   1HG2  VAL  15          1HG2      VAL  15   0.236 -10.201   5.560
  106   2HG2  VAL  15          2HG2      VAL  15   1.608 -11.035   6.330
  107   3HG2  VAL  15          3HG2      VAL  15   0.250 -10.451   7.323
  108    H    CYS  16           H        CYS  16   1.047  -5.903   5.162
  109    HA   CYS  16           HA       CYS  16   2.698  -4.387   6.986
  110   1HB   CYS  16          1HB       CYS  16   2.035  -3.892   4.076
  111   2HB   CYS  16          2HB       CYS  16   3.197  -2.994   5.031
  112    H    ARG  17           H        ARG  17  -0.502  -4.815   6.769
  113    HA   ARG  17           HA       ARG  17  -1.258  -2.057   6.528
  114   1HB   ARG  17          1HB       ARG  17  -2.584  -4.195   5.703
  115   2HB   ARG  17          2HB       ARG  17  -3.112  -4.317   7.370
  116   1HG   ARG  17          1HG       ARG  17  -4.811  -2.968   6.541
  117   2HG   ARG  17          2HG       ARG  17  -3.687  -1.722   7.047
  118   1HD   ARG  17          1HD       ARG  17  -4.454  -1.224   4.771
  119   2HD   ARG  17          2HD       ARG  17  -2.751  -1.633   4.717
  120    HE   ARG  17           HE       ARG  17  -3.266  -3.582   3.512
  121   1HH1  ARG  17          2HH2      ARG  17  -6.208  -2.251   4.912
  122   2HH1  ARG  17          1HH2      ARG  17  -7.259  -3.298   4.018
  123   1HH2  ARG  17          2HH1      ARG  17  -4.647  -5.064   2.448
  124   2HH2  ARG  17          1HH1      ARG  17  -6.365  -4.879   2.571
  125    H    LEU  18           H        LEU  18  -1.542  -4.747   8.970
  126    HA   LEU  18           HA       LEU  18  -2.546  -3.205  11.034
  127   1HB   LEU  18          1HB       LEU  18  -2.313  -5.059  12.304
  128   2HB   LEU  18          2HB       LEU  18  -2.217  -5.777  10.708
  129    HG   LEU  18           HG       LEU  18  -0.477  -6.845  11.717
  130   1HD1  LEU  18          1HD1      LEU  18   1.341  -6.242  10.547
  131   2HD1  LEU  18          2HD1      LEU  18   0.272  -4.991   9.868
  132   3HD1  LEU  18          3HD1      LEU  18   1.360  -4.594  11.220
  133   1HD2  LEU  18          1HD2      LEU  18   0.903  -6.012  13.502
  134   2HD2  LEU  18          2HD2      LEU  18   0.259  -4.366  13.294
  135   3HD2  LEU  18          3HD2      LEU  18  -0.802  -5.668  13.883
  136    HA   PRO  19           HA       PRO  19   0.817  -0.928  12.489
  137   1HB   PRO  19          1HB       PRO  19   0.398  -0.826  15.188
  138   2HB   PRO  19          2HB       PRO  19  -0.472   0.177  14.044
  139   1HG   PRO  19          1HG       PRO  19  -1.419  -2.208  15.512
  140   2HG   PRO  19          2HG       PRO  19  -2.361  -0.964  14.715
  141   1HD   PRO  19          1HD       PRO  19  -1.838  -3.610  13.740
  142   2HD   PRO  19          2HD       PRO  19  -2.681  -2.329  12.892
  143    H    GLY  20           H        GLY  20   2.433  -2.400  11.717
  144   1HA   GLY  20          1HA       GLY  20   4.154  -3.176  13.862
  145   2HA   GLY  20          2HA       GLY  20   3.371  -4.561  13.128
  146    H    THR  21           H        THR  21   3.201  -3.971  10.440
  147    HA   THR  21           HA       THR  21   4.377  -4.019   8.554
  148    HB   THR  21           HB       THR  21   6.339  -2.106   9.904
  149    HG1  THR  21          1HG       THR  21   4.335  -1.174  10.347
  150   1HG2  THR  21          1HG2      THR  21   6.382  -1.046   7.700
  151   2HG2  THR  21          2HG2      THR  21   6.686  -2.783   7.460
  152   3HG2  THR  21          3HG2      THR  21   5.077  -2.106   7.116
  153    H    SER  22           H        SER  22   5.037  -6.107   8.354
  154    HA   SER  22           HA       SER  22   6.875  -7.337   9.941
  155   1HB   SER  22          1HB       SER  22   5.522  -8.668   8.487
  156   2HB   SER  22          2HB       SER  22   6.030  -7.786   7.061
  157    HG   SER  22           HG       SER  22   7.658  -9.564   8.666
  158    H    GLU  23           H        GLU  23   7.462  -6.068   6.572
  159    HA   GLU  23           HA       GLU  23  10.282  -6.078   7.151
  160   1HB   GLU  23          1HB       GLU  23   8.619  -5.691   4.647
  161   2HB   GLU  23          2HB       GLU  23  10.315  -5.250   4.654
  162   1HG   GLU  23          1HG       GLU  23   9.327  -7.998   5.537
  163   2HG   GLU  23          2HG       GLU  23   9.772  -7.642   3.880
  164    HE2  GLU  23           HE       GLU  23  11.781  -6.788   3.598
  165    H    ALA  24           H        ALA  24   8.602  -3.663   5.091
  166    HA   ALA  24           HA       ALA  24   8.629  -1.567   6.946
  167   1HB   ALA  24          1HB       ALA  24  10.565  -0.309   5.729
  168   2HB   ALA  24          2HB       ALA  24  10.977  -1.518   6.968
  169   3HB   ALA  24          3HB       ALA  24  11.100  -1.935   5.242
  170    H    ILE  25           H        ILE  25   9.946  -1.048   3.688
  171    HA   ILE  25           HA       ILE  25   7.416   0.173   2.959
  172    HB   ILE  25           HB       ILE  25  10.065   0.171   1.510
  173   1HG1  ILE  25          1HG1      ILE  25  10.411   1.141   3.685
  174   2HG1  ILE  25          2HG1      ILE  25  10.383   2.421   2.488
  175   1HG2  ILE  25          1HG2      ILE  25   7.487   1.694   1.141
  176   2HG2  ILE  25          2HG2      ILE  25   9.044   2.300   0.528
  177   3HG2  ILE  25          3HG2      ILE  25   8.406   0.741  -0.048
  178   1HD1  ILE  25          1HD1      ILE  25   8.158   1.644   4.418
  179   2HD1  ILE  25          2HD1      ILE  25   9.037   3.189   4.329
  180   3HD1  ILE  25          3HD1      ILE  25   7.896   2.739   3.040
  181    H    CYS  26           H        CYS  26   6.100  -1.708   2.690
  182    HA   CYS  26           HA       CYS  26   6.992  -3.678   0.792
  183   1HB   CYS  26          1HB       CYS  26   4.200  -3.633   1.835
  184   2HB   CYS  26          2HB       CYS  26   5.255  -4.992   1.499
  185    H    ALA  27           H        ALA  27   5.464  -0.597   0.805
  186    HA   ALA  27           HA       ALA  27   3.487  -0.794  -1.085
  187   1HB   ALA  27          1HB       ALA  27   3.970   1.223   0.223
  188   2HB   ALA  27          2HB       ALA  27   5.524   1.423  -0.622
  189   3HB   ALA  27          3HB       ALA  27   3.996   1.603  -1.516
  190    H    THR  28           H        THR  28   7.061  -0.477  -1.526
  191    HA   THR  28           HA       THR  28   6.865  -0.407  -4.371
  192    HB   THR  28           HB       THR  28   9.424  -0.832  -4.036
  193    HG1  THR  28          1HG       THR  28  10.006  -0.791  -1.795
  194   1HG2  THR  28          1HG2      THR  28   9.822   1.410  -3.053
  195   2HG2  THR  28          2HG2      THR  28   8.474   1.500  -4.212
  196   3HG2  THR  28          3HG2      THR  28   8.143   1.466  -2.464
  197    H    TYR  29           H        TYR  29   7.294  -2.961  -1.904
  198    HA   TYR  29           HA       TYR  29   8.038  -4.981  -3.705
  199   1HB   TYR  29          1HB       TYR  29   8.173  -4.880  -1.130
  200   2HB   TYR  29          2HB       TYR  29   6.428  -5.036  -1.076
  201    HD1  TYR  29          1HD       TYR  29   9.550  -6.796  -2.078
  202    HD2  TYR  29          2HD       TYR  29   5.379  -7.166  -1.201
  203    HE1  TYR  29          1HE       TYR  29   9.769  -9.329  -2.068
  204    HE2  TYR  29          2HE       TYR  29   5.612  -9.698  -1.194
  205    HH   TYR  29           HH       TYR  29   6.929 -11.382  -1.461
  206    H    THR  30           H        THR  30   4.960  -3.428  -2.997
  207    HA   THR  30           HA       THR  30   3.523  -5.622  -4.313
  208    HB   THR  30           HB       THR  30   1.532  -4.191  -3.408
  209    HG1  THR  30          1HG       THR  30   3.006  -2.310  -3.090
  210   1HG2  THR  30          1HG2      THR  30   3.521  -5.164  -1.296
  211   2HG2  THR  30          2HG2      THR  30   1.753  -5.041  -1.132
  212   3HG2  THR  30          3HG2      THR  30   2.463  -6.264  -2.212
  213    H    GLY  31           H        GLY  31   5.309  -3.118  -5.324
  214   1HA   GLY  31          1HA       GLY  31   5.362  -1.956  -7.248
  215   2HA   GLY  31          2HA       GLY  31   4.051  -2.959  -7.837
  216    H    CYS  32           H        CYS  32   3.508  -1.272  -4.801
  217    HA   CYS  32           HA       CYS  32   1.512   0.339  -6.132
  218   1HB   CYS  32          1HB       CYS  32   2.105   0.011  -3.184
  219   2HB   CYS  32          2HB       CYS  32   0.740   0.869  -3.871
  220    H    ILE  33           H        ILE  33   1.333   2.713  -5.114
  221    HA   ILE  33           HA       ILE  33   4.012   3.859  -5.363
  222    HB   ILE  33           HB       ILE  33   2.848   5.934  -5.899
  223   1HG1  ILE  33          1HG1      ILE  33   0.217   4.506  -6.055
  224   2HG1  ILE  33          2HG1      ILE  33   0.753   5.114  -4.502
  225   1HG2  ILE  33          1HG2      ILE  33   3.490   4.373  -7.682
  226   2HG2  ILE  33          2HG2      ILE  33   1.897   3.586  -7.564
  227   3HG2  ILE  33          3HG2      ILE  33   2.015   5.282  -8.092
  228   1HD1  ILE  33          1HD1      ILE  33   1.049   7.385  -5.466
  229   2HD1  ILE  33          2HD1      ILE  33   0.534   6.773  -7.057
  230   3HD1  ILE  33          3HD1      ILE  33  -0.616   6.801  -5.698
  231    H    ILE  34           H        ILE  34   4.457   5.832  -3.970
  232    HA   ILE  34           HA       ILE  34   3.521   5.217  -1.268
  233    HB   ILE  34           HB       ILE  34   5.951   6.667  -2.313
  234   1HG1  ILE  34          1HG1      ILE  34   5.913   4.208  -0.573
  235   2HG1  ILE  34          2HG1      ILE  34   5.723   4.072  -2.310
  236   1HG2  ILE  34          1HG2      ILE  34   5.249   7.846  -0.345
  237   2HG2  ILE  34          2HG2      ILE  34   4.994   6.322   0.540
  238   3HG2  ILE  34          3HG2      ILE  34   6.640   6.818   0.078
  239   1HD1  ILE  34          1HD1      ILE  34   8.056   5.404  -0.860
  240   2HD1  ILE  34          2HD1      ILE  34   8.096   3.851  -1.729
  241   3HD1  ILE  34          3HD1      ILE  34   7.852   5.368  -2.628
  242    H    ILE  35           H        ILE  35   2.519   6.763   0.035
  243    HA   ILE  35           HA       ILE  35   2.117   9.396  -1.152
  244    HB   ILE  35           HB       ILE  35  -0.299   9.266  -0.571
  245   1HG1  ILE  35          1HG1      ILE  35  -0.904   6.580  -0.732
  246   2HG1  ILE  35          2HG1      ILE  35   0.510   6.577   0.303
  247   1HG2  ILE  35          1HG2      ILE  35   0.556   9.052  -2.880
  248   2HG2  ILE  35          2HG2      ILE  35   0.611   7.285  -2.675
  249   3HG2  ILE  35          3HG2      ILE  35  -0.948   8.141  -2.610
  250   1HD1  ILE  35          1HD1      ILE  35  -1.672   6.837   1.553
  251   2HD1  ILE  35          2HD1      ILE  35  -0.520   8.162   1.847
  252   3HD1  ILE  35          3HD1      ILE  35  -1.893   8.406   0.742
  253    HA   PRO  36           HA       PRO  36   2.878  10.506   2.956
  254   1HB   PRO  36          1HB       PRO  36   2.172  13.145   2.869
  255   2HB   PRO  36          2HB       PRO  36   3.723  12.549   2.313
  256   1HG   PRO  36          1HG       PRO  36   1.398  13.434   0.717
  257   2HG   PRO  36          2HG       PRO  36   3.066  13.247   0.215
  258   1HD   PRO  36          1HD       PRO  36   0.892  11.464  -0.354
  259   2HD   PRO  36          2HD       PRO  36   2.580  11.220  -0.755
  260    H    GLY  37           H        GLY  37   1.683  12.226   4.679
  261   1HA   GLY  37          1HA       GLY  37  -0.222  10.823   5.917
  262   2HA   GLY  37          2HA       GLY  37  -0.205  12.575   5.894
  263    H    ALA  38           H        ALA  38  -1.730   9.653   4.658
  264    HA   ALA  38           HA       ALA  38  -3.336   9.373   3.077
  265   1HB   ALA  38          1HB       ALA  38  -4.452   9.615   5.246
  266   2HB   ALA  38          2HB       ALA  38  -4.526  11.381   5.033
  267   3HB   ALA  38          3HB       ALA  38  -5.463  10.315   3.958
  268    H    THR  39           H        THR  39  -1.947  10.493   1.374
  269    HA   THR  39           HA       THR  39  -3.499  12.729   0.308
  270    HB   THR  39           HB       THR  39  -0.496  12.694   0.880
  271    HG1  THR  39          1HG       THR  39  -2.758  14.504   1.361
  272   1HG2  THR  39          1HG2      THR  39  -0.639  13.688  -1.323
  273   2HG2  THR  39          2HG2      THR  39  -2.174  14.498  -0.927
  274   3HG2  THR  39          3HG2      THR  39  -0.656  15.053  -0.180
  275    H    CYS  40           H        CYS  40  -4.389  11.007  -1.023
  276    HA   CYS  40           HA       CYS  40  -2.454   9.958  -2.938
  277   1HB   CYS  40          1HB       CYS  40  -5.310   9.123  -2.390
  278   2HB   CYS  40          2HB       CYS  40  -4.257   8.403  -3.591
  279    HA   PRO  41           HA       PRO  41  -4.109  12.610  -5.971
  280   1HB   PRO  41          1HB       PRO  41  -3.597  11.236  -8.277
  281   2HB   PRO  41          2HB       PRO  41  -2.381  12.169  -7.427
  282   1HG   PRO  41          1HG       PRO  41  -2.723   9.234  -7.539
  283   2HG   PRO  41          2HG       PRO  41  -1.310  10.158  -7.068
  284   1HD   PRO  41          1HD       PRO  41  -3.140   8.809  -5.318
  285   2HD   PRO  41          2HD       PRO  41  -1.794   9.828  -4.845
  286    H    GLY  42           H        GLY  42  -5.308   9.394  -5.768
  287   1HA   GLY  42          1HA       GLY  42  -7.691   9.163  -5.627
  288   2HA   GLY  42          2HA       GLY  42  -7.864  10.391  -6.865
  289    H    ASP  43           H        ASP  43  -5.293   9.023  -8.160
  290    HA   ASP  43           HA       ASP  43  -6.839   7.448  -9.924
  291   1HB   ASP  43          1HB       ASP  43  -3.821   7.851  -9.673
  292   2HB   ASP  43          2HB       ASP  43  -4.589   7.015 -11.008
  293    HD2  ASP  43           HD       ASP  43  -4.952  11.011 -10.832
  294    H    TYR  44           H        TYR  44  -4.777   6.957  -7.083
  295    HA   TYR  44           HA       TYR  44  -4.902   4.047  -7.506
  296   1HB   TYR  44          1HB       TYR  44  -3.041   5.937  -5.937
  297   2HB   TYR  44          2HB       TYR  44  -2.926   4.193  -5.822
  298    HD1  TYR  44          1HD       TYR  44  -1.892   2.884  -7.568
  299    HD2  TYR  44          2HD       TYR  44  -2.443   7.099  -8.058
  300    HE1  TYR  44          1HE       TYR  44  -0.333   2.862  -9.577
  301    HE2  TYR  44          2HE       TYR  44  -0.883   7.062 -10.065
  302    HH   TYR  44           HH       TYR  44   0.382   5.870 -11.336
  303    H    ALA  45           H        ALA  45  -6.757   6.269  -6.155
  304    HA   ALA  45           HA       ALA  45  -6.775   5.271  -3.437
  305   1HB   ALA  45          1HB       ALA  45  -7.084   7.685  -3.963
  306   2HB   ALA  45          2HB       ALA  45  -8.569   7.280  -4.858
  307   3HB   ALA  45          3HB       ALA  45  -8.482   6.995  -3.104
  308    H    ASN  46           H        ASN  46  -7.182   2.993  -4.239
  309    HA   ASN  46           HA       ASN  46  -9.909   2.651  -5.149
  310   1HB   ASN  46          1HB       ASN  46  -9.214   0.279  -5.556
  311   2HB   ASN  46          2HB       ASN  46  -8.150   1.405  -6.375
  312   1HD2  ASN  46          2HD2      ASN  46  -7.088  -0.912  -6.133
  313   2HD2  ASN  46          1HD2      ASN  46  -5.937  -1.060  -4.847
  Start of MODEL    8
    1    H    THR   1           H        THR   1  -8.077  -3.520  -4.668
    2    HA   THR   1           HA       THR   1  -5.858  -5.072  -3.859
    3    HB   THR   1           HB       THR   1  -6.183  -5.964  -6.203
    4    HG1  THR   1          1HG       THR   1  -3.940  -4.101  -5.914
    5   1HG2  THR   1          1HG2      THR   1  -7.052  -3.874  -7.289
    6   2HG2  THR   1          2HG2      THR   1  -5.494  -3.076  -6.964
    7   3HG2  THR   1          3HG2      THR   1  -5.571  -4.454  -8.088
    8    H    THR   2           H        THR   2  -3.942  -3.796  -3.567
    9    HA   THR   2           HA       THR   2  -4.572  -0.920  -3.628
   10    HB   THR   2           HB       THR   2  -2.801  -2.617  -1.793
   11    HG1  THR   2          1HG       THR   2  -5.175  -2.640  -1.510
   12   1HG2  THR   2          1HG2      THR   2  -3.428   0.383  -1.788
   13   2HG2  THR   2          2HG2      THR   2  -2.648  -0.492  -0.448
   14   3HG2  THR   2          3HG2      THR   2  -1.820  -0.346  -2.017
   15    H    CYS   3           H        CYS   3  -3.249   0.520  -4.638
   16    HA   CYS   3           HA       CYS   3  -0.967  -0.699  -6.013
   17   1HB   CYS   3          1HB       CYS   3  -3.039   1.244  -6.892
   18   2HB   CYS   3          2HB       CYS   3  -1.405   1.516  -7.464
   19    H    CYS   4           H        CYS   4   1.049   0.397  -5.865
   20    HA   CYS   4           HA       CYS   4   1.023   2.730  -4.091
   21   1HB   CYS   4          1HB       CYS   4   3.019   0.461  -4.182
   22   2HB   CYS   4          2HB       CYS   4   3.275   1.961  -3.314
   23    HA   PRO   5           HA       PRO   5   3.271   4.610  -7.314
   24   1HB   PRO   5          1HB       PRO   5   4.624   6.579  -5.987
   25   2HB   PRO   5          2HB       PRO   5   2.936   6.713  -6.437
   26   1HG   PRO   5          1HG       PRO   5   4.108   6.200  -3.772
   27   2HG   PRO   5          2HG       PRO   5   2.494   6.753  -4.174
   28   1HD   PRO   5          1HD       PRO   5   3.251   4.106  -3.370
   29   2HD   PRO   5          2HD       PRO   5   1.660   4.631  -3.883
   30    H    SER   6           H        SER   6   5.442   4.425  -4.524
   31    HA   SER   6           HA       SER   6   7.488   3.609  -6.410
   32   1HB   SER   6          1HB       SER   6   9.099   4.270  -4.759
   33   2HB   SER   6          2HB       SER   6   7.881   5.529  -4.789
   34    HG   SER   6           HG       SER   6   8.333   4.996  -2.612
   35    H    ILE   7           H        ILE   7   9.022   1.818  -5.646
   36    HA   ILE   7           HA       ILE   7   7.450  -0.418  -4.840
   37    HB   ILE   7           HB       ILE   7  10.371  -0.045  -5.486
   38   1HG1  ILE   7          1HG1      ILE   7   8.385  -1.635  -7.086
   39   2HG1  ILE   7          2HG1      ILE   7   8.417   0.111  -7.235
   40   1HG2  ILE   7          1HG2      ILE   7  10.437  -2.556  -5.577
   41   2HG2  ILE   7          2HG2      ILE   7  10.312  -1.859  -3.944
   42   3HG2  ILE   7          3HG2      ILE   7   8.875  -2.562  -4.724
   43   1HD1  ILE   7          1HD1      ILE   7  10.804  -1.749  -7.643
   44   2HD1  ILE   7          2HD1      ILE   7   9.888  -0.922  -8.926
   45   3HD1  ILE   7          3HD1      ILE   7  10.856   0.026  -7.771
   46    H    VAL   8           H        VAL   8   9.613   1.913  -3.283
   47    HA   VAL   8           HA       VAL   8  10.217   0.373  -1.015
   48    HB   VAL   8           HB       VAL   8  10.109   3.344  -1.544
   49   1HG1  VAL   8          1HG1      VAL   8   9.832   3.101   0.827
   50   2HG1  VAL   8          2HG1      VAL   8  11.104   1.858   0.907
   51   3HG1  VAL   8          3HG1      VAL   8  11.530   3.544   0.524
   52   1HG2  VAL   8          1HG2      VAL   8  12.572   3.132  -1.611
   53   2HG2  VAL   8          2HG2      VAL   8  12.415   1.373  -1.383
   54   3HG2  VAL   8          3HG2      VAL   8  11.776   2.140  -2.856
   55    H    ALA   9           H        ALA   9   7.538   2.648  -1.829
   56    HA   ALA   9           HA       ALA   9   6.369   2.723   0.685
   57   1HB   ALA   9          1HB       ALA   9   5.786   4.254  -1.125
   58   2HB   ALA   9          2HB       ALA   9   5.151   2.907  -2.100
   59   3HB   ALA   9          3HB       ALA   9   4.327   3.382  -0.596
   60    H    ARG  10           H        ARG  10   6.084   0.364  -2.019
   61    HA   ARG  10           HA       ARG  10   3.991  -1.050  -0.836
   62   1HB   ARG  10          1HB       ARG  10   4.512  -1.226  -3.247
   63   2HB   ARG  10          2HB       ARG  10   6.093  -1.893  -2.893
   64   1HG   ARG  10          1HG       ARG  10   4.777  -3.804  -3.398
   65   2HG   ARG  10          2HG       ARG  10   4.844  -3.797  -1.647
   66   1HD   ARG  10          1HD       ARG  10   2.542  -4.151  -2.103
   67   2HD   ARG  10          2HD       ARG  10   2.619  -2.439  -1.737
   68    HE   ARG  10           HE       ARG  10   3.033  -2.630  -4.514
   69   1HH1  ARG  10          2HH2      ARG  10   0.471  -3.262  -2.191
   70   2HH1  ARG  10          1HH2      ARG  10  -0.796  -3.175  -3.370
   71   1HH2  ARG  10          2HH1      ARG  10   1.368  -2.587  -6.086
   72   2HH2  ARG  10          1HH1      ARG  10  -0.280  -2.809  -5.603
   73    H    SER  11           H        SER  11   7.587  -1.391  -0.827
   74    HA   SER  11           HA       SER  11   7.699  -3.827   0.446
   75   1HB   SER  11          1HB       SER  11   9.636  -2.739  -0.640
   76   2HB   SER  11          2HB       SER  11   9.635  -1.473   0.571
   77    HG   SER  11           HG       SER  11  10.164  -4.288   0.996
   78    H    ASN  12           H        ASN  12   7.189  -0.513   1.671
   79    HA   ASN  12           HA       ASN  12   7.659  -1.214   4.364
   80   1HB   ASN  12          1HB       ASN  12   6.573   1.174   2.867
   81   2HB   ASN  12          2HB       ASN  12   6.190   1.066   4.574
   82   1HD2  ASN  12          2HD2      ASN  12   8.900   0.755   2.297
   83   2HD2  ASN  12          1HD2      ASN  12  10.123   1.452   3.306
   84    H    PHE  13           H        PHE  13   4.804  -0.767   2.186
   85    HA   PHE  13           HA       PHE  13   2.833  -1.040   4.142
   86   1HB   PHE  13          1HB       PHE  13   2.541  -0.176   1.794
   87   2HB   PHE  13          2HB       PHE  13   2.969  -1.749   1.150
   88    HD1  PHE  13          1HD       PHE  13   0.588  -0.613   3.803
   89    HD2  PHE  13          2HD       PHE  13   1.147  -2.768   0.190
   90    HE1  PHE  13          1HE       PHE  13  -1.831  -1.281   3.827
   91    HE2  PHE  13          2HE       PHE  13  -1.273  -3.436   0.215
   92    HZ   PHE  13           HZ       PHE  13  -2.733  -2.685   2.033
   93    H    ASN  14           H        ASN  14   4.819  -3.408   2.381
   94    HA   ASN  14           HA       ASN  14   3.216  -5.609   2.663
   95   1HB   ASN  14          1HB       ASN  14   6.253  -5.275   2.657
   96   2HB   ASN  14          2HB       ASN  14   5.509  -6.862   2.705
   97   1HD2  ASN  14          2HD2      ASN  14   7.108  -6.323   0.655
   98   2HD2  ASN  14          1HD2      ASN  14   6.244  -6.074  -0.825
   99    H    VAL  15           H        VAL  15   5.364  -3.885   4.943
  100    HA   VAL  15           HA       VAL  15   5.467  -5.942   6.887
  101    HB   VAL  15           HB       VAL  15   5.901  -2.959   7.134
  102   1HG1  VAL  15          1HG1      VAL  15   5.631  -3.937   9.318
  103   2HG1  VAL  15          2HG1      VAL  15   6.726  -5.279   8.908
  104   3HG1  VAL  15          3HG1      VAL  15   7.364  -3.623   9.057
  105   1HG2  VAL  15          1HG2      VAL  15   8.357  -3.690   6.962
  106   2HG2  VAL  15          2HG2      VAL  15   7.729  -5.215   6.291
  107   3HG2  VAL  15          3HG2      VAL  15   7.399  -3.675   5.462
  108    H    CYS  16           H        CYS  16   3.154  -3.422   6.000
  109    HA   CYS  16           HA       CYS  16   1.807  -3.478   8.508
  110   1HB   CYS  16          1HB       CYS  16   1.852  -1.533   6.924
  111   2HB   CYS  16          2HB       CYS  16   0.801  -2.439   5.854
  112    H    ARG  17           H        ARG  17   1.920  -5.393   5.579
  113    HA   ARG  17           HA       ARG  17  -0.697  -6.477   6.026
  114   1HB   ARG  17          1HB       ARG  17   1.474  -7.150   3.977
  115   2HB   ARG  17          2HB       ARG  17  -0.110  -7.900   3.999
  116   1HG   ARG  17          1HG       ARG  17   0.382  -4.896   3.728
  117   2HG   ARG  17          2HG       ARG  17   0.047  -5.972   2.387
  118   1HD   ARG  17          1HD       ARG  17  -2.112  -5.205   2.825
  119   2HD   ARG  17          2HD       ARG  17  -2.095  -6.634   3.839
  120    HE   ARG  17           HE       ARG  17  -1.181  -4.120   5.115
  121   1HH1  ARG  17          2HH2      ARG  17  -4.165  -5.639   4.236
  122   2HH1  ARG  17          1HH2      ARG  17  -4.875  -5.525   5.812
  123   1HH2  ARG  17          2HH1      ARG  17  -1.975  -4.275   7.361
  124   2HH2  ARG  17          1HH1      ARG  17  -3.682  -4.507   7.536
  125    H    LEU  18           H        LEU  18   2.739  -7.230   6.562
  126    HA   LEU  18           HA       LEU  18   2.259  -9.993   7.147
  127   1HB   LEU  18          1HB       LEU  18   4.546  -8.169   6.913
  128   2HB   LEU  18          2HB       LEU  18   4.727  -9.374   8.172
  129    HG   LEU  18           HG       LEU  18   4.170 -11.136   6.439
  130   1HD1  LEU  18          1HD1      LEU  18   4.384 -10.580   4.091
  131   2HD1  LEU  18          2HD1      LEU  18   3.070  -9.629   4.824
  132   3HD1  LEU  18          3HD1      LEU  18   4.642  -8.864   4.489
  133   1HD2  LEU  18          1HD2      LEU  18   6.442 -10.781   7.207
  134   2HD2  LEU  18          2HD2      LEU  18   6.433 -11.122   5.461
  135   3HD2  LEU  18          3HD2      LEU  18   6.660  -9.455   6.040
  136    HA   PRO  19           HA       PRO  19   1.445  -9.634  11.370
  137   1HB   PRO  19          1HB       PRO  19   2.707 -11.790  12.478
  138   2HB   PRO  19          2HB       PRO  19   1.179 -11.907  11.628
  139   1HG   PRO  19          1HG       PRO  19   3.873 -12.708  10.714
  140   2HG   PRO  19          2HG       PRO  19   2.311 -13.191  10.083
  141   1HD   PRO  19          1HD       PRO  19   4.114 -11.283   8.927
  142   2HD   PRO  19          2HD       PRO  19   2.504 -11.681   8.360
  143    H    GLY  20           H        GLY  20   4.454  -9.020  10.231
  144   1HA   GLY  20          1HA       GLY  20   6.020  -8.836  12.525
  145   2HA   GLY  20          2HA       GLY  20   6.202  -7.884  11.066
  146    H    THR  21           H        THR  21   3.626  -6.544  11.084
  147    HA   THR  21           HA       THR  21   3.695  -5.067  13.617
  148    HB   THR  21           HB       THR  21   3.916  -3.922  10.785
  149    HG1  THR  21          1HG       THR  21   5.957  -3.254  11.718
  150   1HG2  THR  21          1HG2      THR  21   4.060  -1.716  11.952
  151   2HG2  THR  21          2HG2      THR  21   2.464  -2.461  12.208
  152   3HG2  THR  21          3HG2      THR  21   3.689  -2.514  13.499
  153    H    SER  22           H        SER  22   1.974  -4.578  10.481
  154    HA   SER  22           HA       SER  22  -0.163  -4.215  10.145
  155   1HB   SER  22          1HB       SER  22  -0.133  -6.608   9.849
  156   2HB   SER  22          2HB       SER  22  -0.176  -6.898  11.577
  157    HG   SER  22           HG       SER  22  -2.335  -6.138  11.663
  158    H    GLU  23           H        GLU  23   0.092  -2.353  11.832
  159    HA   GLU  23           HA       GLU  23  -1.262  -2.906  14.306
  160   1HB   GLU  23          1HB       GLU  23   0.219  -0.526  13.160
  161   2HB   GLU  23          2HB       GLU  23  -0.804  -0.322  14.568
  162   1HG   GLU  23          1HG       GLU  23   0.468  -2.005  15.820
  163   2HG   GLU  23          2HG       GLU  23   1.394  -2.433  14.395
  164    HE2  GLU  23           HE       GLU  23   2.645   0.540  16.617
  165    H    ALA  24           H        ALA  24  -1.633  -0.629  11.491
  166    HA   ALA  24           HA       ALA  24  -4.504  -0.943  11.692
  167   1HB   ALA  24          1HB       ALA  24  -3.709   0.974  13.243
  168   2HB   ALA  24          2HB       ALA  24  -3.333   1.850  11.741
  169   3HB   ALA  24          3HB       ALA  24  -5.003   1.335  12.076
  170    H    ILE  25           H        ILE  25  -4.994   1.376   9.951
  171    HA   ILE  25           HA       ILE  25  -4.218   0.124   7.491
  172    HB   ILE  25           HB       ILE  25  -5.842   2.596   8.099
  173   1HG1  ILE  25          1HG1      ILE  25  -6.926  -0.027   7.101
  174   2HG1  ILE  25          2HG1      ILE  25  -6.613   0.198   8.811
  175   1HG2  ILE  25          1HG2      ILE  25  -6.635   2.342   5.740
  176   2HG2  ILE  25          2HG2      ILE  25  -4.936   2.848   5.900
  177   3HG2  ILE  25          3HG2      ILE  25  -5.326   1.163   5.482
  178   1HD1  ILE  25          1HD1      ILE  25  -8.388   1.973   7.071
  179   2HD1  ILE  25          2HD1      ILE  25  -8.941   0.808   8.298
  180   3HD1  ILE  25          3HD1      ILE  25  -8.038   2.260   8.792
  181    H    CYS  26           H        CYS  26  -1.991   0.305   7.211
  182    HA   CYS  26           HA       CYS  26  -0.817   2.929   7.505
  183   1HB   CYS  26          1HB       CYS  26   0.761   0.646   6.447
  184   2HB   CYS  26          2HB       CYS  26   1.218   1.912   7.569
  185    H    ALA  27           H        ALA  27  -2.570   1.183   5.194
  186    HA   ALA  27           HA       ALA  27  -1.246   1.401   2.832
  187   1HB   ALA  27          1HB       ALA  27  -4.187   1.954   3.402
  188   2HB   ALA  27          2HB       ALA  27  -3.497   1.531   1.816
  189   3HB   ALA  27          3HB       ALA  27  -3.454   0.352   3.149
  190    H    THR  28           H        THR  28  -2.971   3.970   4.677
  191    HA   THR  28           HA       THR  28  -2.265   5.919   2.630
  192    HB   THR  28           HB       THR  28  -3.827   6.175   5.254
  193    HG1  THR  28          1HG       THR  28  -5.613   5.894   3.728
  194   1HG2  THR  28          1HG2      THR  28  -3.061   8.366   4.270
  195   2HG2  THR  28          2HG2      THR  28  -3.789   7.892   2.716
  196   3HG2  THR  28          3HG2      THR  28  -4.824   8.156   4.140
  197    H    TYR  29           H        TYR  29  -1.207   4.757   5.792
  198    HA   TYR  29           HA       TYR  29   0.467   7.098   6.169
  199   1HB   TYR  29          1HB       TYR  29  -0.896   5.232   7.770
  200   2HB   TYR  29          2HB       TYR  29   0.736   4.594   7.815
  201    HD1  TYR  29          1HD       TYR  29  -1.176   6.023   9.975
  202    HD2  TYR  29          2HD       TYR  29   2.282   7.192   7.742
  203    HE1  TYR  29          1HE       TYR  29  -0.565   7.700  11.785
  204    HE2  TYR  29          2HE       TYR  29   2.881   8.865   9.560
  205    HH   TYR  29           HH       TYR  29   2.346   9.719  11.463
  206    H    THR  30           H        THR  30   0.850   5.203   3.822
  207    HA   THR  30           HA       THR  30   3.688   4.721   4.331
  208    HB   THR  30           HB       THR  30   2.236   2.605   4.747
  209    HG1  THR  30          1HG       THR  30   3.882   1.428   3.481
  210   1HG2  THR  30          1HG2      THR  30   0.932   3.200   2.447
  211   2HG2  THR  30          2HG2      THR  30   2.294   2.293   1.748
  212   3HG2  THR  30          3HG2      THR  30   1.226   1.515   2.940
  213    H    GLY  31           H        GLY  31   1.762   6.635   2.807
  214   1HA   GLY  31          1HA       GLY  31   2.302   7.906   0.968
  215   2HA   GLY  31          2HA       GLY  31   3.391   6.658   0.396
  216    H    CYS  32           H        CYS  32   1.621   4.380   0.527
  217    HA   CYS  32           HA       CYS  32   0.386   4.610  -1.944
  218   1HB   CYS  32          1HB       CYS  32  -0.315   2.594   0.193
  219   2HB   CYS  32          2HB       CYS  32  -0.512   2.427  -1.540
  220    H    ILE  33           H        ILE  33  -2.169   3.835  -2.010
  221    HA   ILE  33           HA       ILE  33  -3.633   5.488  -0.091
  222    HB   ILE  33           HB       ILE  33  -5.004   6.393  -1.899
  223   1HG1  ILE  33          1HG1      ILE  33  -2.984   5.206  -3.820
  224   2HG1  ILE  33          2HG1      ILE  33  -4.560   4.508  -3.508
  225   1HG2  ILE  33          1HG2      ILE  33  -2.980   7.575  -0.974
  226   2HG2  ILE  33          2HG2      ILE  33  -2.086   7.009  -2.406
  227   3HG2  ILE  33          3HG2      ILE  33  -3.491   8.085  -2.602
  228   1HD1  ILE  33          1HD1      ILE  33  -5.595   6.751  -4.146
  229   2HD1  ILE  33          2HD1      ILE  33  -3.972   7.268  -4.661
  230   3HD1  ILE  33          3HD1      ILE  33  -4.770   5.901  -5.475
  231    H    ILE  34           H        ILE  34  -6.148   5.027  -0.513
  232    HA   ILE  34           HA       ILE  34  -6.330   2.109  -0.550
  233    HB   ILE  34           HB       ILE  34  -8.146   4.226   0.607
  234   1HG1  ILE  34          1HG1      ILE  34  -6.449   2.166   2.039
  235   2HG1  ILE  34          2HG1      ILE  34  -5.932   3.816   1.750
  236   1HG2  ILE  34          1HG2      ILE  34  -9.424   2.380   1.573
  237   2HG2  ILE  34          2HG2      ILE  34  -9.443   2.318  -0.206
  238   3HG2  ILE  34          3HG2      ILE  34  -8.398   1.207   0.713
  239   1HD1  ILE  34          1HD1      ILE  34  -8.143   4.551   2.884
  240   2HD1  ILE  34          2HD1      ILE  34  -8.283   2.861   3.426
  241   3HD1  ILE  34          3HD1      ILE  34  -6.891   3.847   3.935
  242    H    ILE  35           H        ILE  35  -7.186   1.100  -2.283
  243    HA   ILE  35           HA       ILE  35  -9.179   2.551  -3.841
  244    HB   ILE  35           HB       ILE  35  -8.014   1.688  -5.924
  245   1HG1  ILE  35          1HG1      ILE  35  -5.413   1.816  -4.502
  246   2HG1  ILE  35          2HG1      ILE  35  -6.365   0.373  -4.216
  247   1HG2  ILE  35          1HG2      ILE  35  -6.586   3.663  -6.082
  248   2HG2  ILE  35          2HG2      ILE  35  -8.145   4.055  -5.317
  249   3HG2  ILE  35          3HG2      ILE  35  -6.681   3.886  -4.319
  250   1HD1  ILE  35          1HD1      ILE  35  -5.546   1.477  -6.941
  251   2HD1  ILE  35          2HD1      ILE  35  -4.916   0.009  -6.157
  252   3HD1  ILE  35          3HD1      ILE  35  -6.608   0.069  -6.704
  253    HA   PRO  36           HA       PRO  36 -11.059  -1.332  -3.807
  254   1HB   PRO  36          1HB       PRO  36 -12.754  -1.145  -5.943
  255   2HB   PRO  36          2HB       PRO  36 -13.100  -0.434  -4.379
  256   1HG   PRO  36          1HG       PRO  36 -12.239   0.900  -6.873
  257   2HG   PRO  36          2HG       PRO  36 -12.988   1.604  -5.453
  258   1HD   PRO  36          1HD       PRO  36 -10.217   1.746  -6.180
  259   2HD   PRO  36          2HD       PRO  36 -10.946   2.349  -4.705
  260    H    GLY  37           H        GLY  37 -11.918  -3.150  -5.540
  261   1HA   GLY  37          1HA       GLY  37  -9.413  -4.141  -6.566
  262   2HA   GLY  37          2HA       GLY  37 -10.974  -4.936  -6.587
  263    H    ALA  38           H        ALA  38  -8.868  -4.511  -8.750
  264    HA   ALA  38           HA       ALA  38  -8.748  -4.002 -10.903
  265   1HB   ALA  38          1HB       ALA  38 -10.697  -5.571 -10.886
  266   2HB   ALA  38          2HB       ALA  38 -11.787  -4.167 -10.788
  267   3HB   ALA  38          3HB       ALA  38 -10.760  -4.398 -12.223
  268    H    THR  39           H        THR  39  -8.741  -1.792  -9.016
  269    HA   THR  39           HA       THR  39  -9.605   0.298 -10.867
  270    HB   THR  39           HB       THR  39 -10.271   0.244  -7.876
  271    HG1  THR  39          1HG       THR  39 -11.699  -1.147  -8.992
  272   1HG2  THR  39          1HG2      THR  39 -10.090   2.557  -8.660
  273   2HG2  THR  39          2HG2      THR  39 -10.950   2.159 -10.166
  274   3HG2  THR  39          3HG2      THR  39 -11.820   2.141  -8.614
  275    H    CYS  40           H        CYS  40  -7.178  -0.103 -11.215
  276    HA   CYS  40           HA       CYS  40  -5.700   1.374  -9.165
  277   1HB   CYS  40          1HB       CYS  40  -4.987  -0.881 -10.967
  278   2HB   CYS  40          2HB       CYS  40  -3.743   0.318 -10.669
  279    HA   PRO  41           HA       PRO  41  -5.483   4.488 -12.235
  280   1HB   PRO  41          1HB       PRO  41  -3.847   6.242 -10.924
  281   2HB   PRO  41          2HB       PRO  41  -5.577   6.159 -10.653
  282   1HG   PRO  41          1HG       PRO  41  -3.383   5.174  -8.934
  283   2HG   PRO  41          2HG       PRO  41  -5.055   5.486  -8.510
  284   1HD   PRO  41          1HD       PRO  41  -3.849   2.923  -8.964
  285   2HD   PRO  41          2HD       PRO  41  -5.544   3.245  -8.655
  286    H    GLY  42           H        GLY  42  -4.069   5.555 -13.775
  287   1HA   GLY  42          1HA       GLY  42  -1.944   3.751 -14.479
  288   2HA   GLY  42          2HA       GLY  42  -2.463   5.188 -15.337
  289    H    ASP  43           H        ASP  43  -2.271   6.654 -12.542
  290    HA   ASP  43           HA       ASP  43   0.101   7.898 -13.020
  291   1HB   ASP  43          1HB       ASP  43  -0.102   8.753 -10.677
  292   2HB   ASP  43          2HB       ASP  43  -1.613   8.850 -11.559
  293    HD2  ASP  43           HD       ASP  43  -1.849   9.083  -9.206
  294    H    TYR  44           H        TYR  44  -0.695   4.948 -11.161
  295    HA   TYR  44           HA       TYR  44   2.124   4.717 -10.357
  296   1HB   TYR  44          1HB       TYR  44  -0.460   3.325  -9.413
  297   2HB   TYR  44          2HB       TYR  44   1.110   3.133  -8.658
  298    HD1  TYR  44          1HD       TYR  44  -1.473   4.024  -7.293
  299    HD2  TYR  44          2HD       TYR  44   1.749   6.236  -9.035
  300    HE1  TYR  44          1HE       TYR  44  -1.973   5.981  -5.749
  301    HE2  TYR  44          2HE       TYR  44   1.238   8.186  -7.485
  302    HH   TYR  44           HH       TYR  44   0.017   8.926  -5.870
  303    H    ALA  45           H        ALA  45  -0.729   2.800 -11.538
  304    HA   ALA  45           HA       ALA  45  -0.842   0.893 -12.666
  305   1HB   ALA  45          1HB       ALA  45   0.534   0.780 -14.686
  306   2HB   ALA  45          2HB       ALA  45   0.018   2.460 -14.404
  307   3HB   ALA  45          3HB       ALA  45   1.678   1.960 -14.002
  308    H    ASN  46           H        ASN  46   0.216   0.514 -10.138
  309    HA   ASN  46           HA       ASN  46   2.181  -1.555 -10.713
  310   1HB   ASN  46          1HB       ASN  46   2.130   0.358  -8.321
  311   2HB   ASN  46          2HB       ASN  46   3.169  -1.050  -8.410
  312   1HD2  ASN  46          2HD2      ASN  46   3.507   1.995  -8.432
  313   2HD2  ASN  46          1HD2      ASN  46   4.563   2.342  -9.760
  Start of MODEL    9
    1    H    THR   1           H        THR   1  -3.792  -3.763  -7.771
    2    HA   THR   1           HA       THR   1  -1.573  -5.585  -7.288
    3    HB   THR   1           HB       THR   1  -1.807  -3.761  -9.741
    4    HG1  THR   1          1HG       THR   1  -2.933  -5.893  -9.718
    5   1HG2  THR   1          1HG2      THR   1   0.548  -3.897  -8.901
    6   2HG2  THR   1          2HG2      THR   1   0.412  -5.671  -8.832
    7   3HG2  THR   1          3HG2      THR   1   0.352  -4.833 -10.402
    8    H    THR   2           H        THR   2  -0.016  -4.722  -6.010
    9    HA   THR   2           HA       THR   2   0.030  -1.815  -5.714
   10    HB   THR   2           HB       THR   2  -0.193  -3.749  -3.351
   11    HG1  THR   2          1HG       THR   2  -2.052  -1.998  -4.799
   12   1HG2  THR   2          1HG2      THR   2  -0.548  -0.715  -3.607
   13   2HG2  THR   2          2HG2      THR   2  -0.777  -1.665  -2.119
   14   3HG2  THR   2          3HG2      THR   2   0.844  -1.518  -2.840
   15    H    CYS   3           H        CYS   3   2.045  -1.000  -5.604
   16    HA   CYS   3           HA       CYS   3   4.178  -2.982  -5.494
   17   1HB   CYS   3          1HB       CYS   3   3.894  -0.271  -6.717
   18   2HB   CYS   3          2HB       CYS   3   5.491  -0.794  -6.220
   19    H    CYS   4           H        CYS   4   5.658  -2.982  -3.787
   20    HA   CYS   4           HA       CYS   4   5.602  -0.693  -1.989
   21   1HB   CYS   4          1HB       CYS   4   5.454  -3.514  -0.928
   22   2HB   CYS   4          2HB       CYS   4   5.367  -2.015  -0.024
   23    HA   PRO   5           HA       PRO   5   9.878  -1.520  -1.994
   24   1HB   PRO   5          1HB       PRO   5  10.700  -0.481   0.396
   25   2HB   PRO   5          2HB       PRO   5  10.371   0.505  -1.015
   26   1HG   PRO   5          1HG       PRO   5   8.736   0.153   1.422
   27   2HG   PRO   5          2HG       PRO   5   8.651   1.422   0.217
   28   1HD   PRO   5          1HD       PRO   5   6.862  -0.803   0.495
   29   2HD   PRO   5          2HD       PRO   5   6.846   0.402  -0.778
   30    H    SER   6           H        SER   6   7.975  -2.826   0.536
   31    HA   SER   6           HA       SER   6   9.632  -5.140   0.473
   32   1HB   SER   6          1HB       SER   6  10.374  -5.171   2.716
   33   2HB   SER   6          2HB       SER   6  10.664  -3.518   2.213
   34    HG   SER   6           HG       SER   6   9.582  -3.139   4.057
   35    H    ILE   7           H        ILE   7   8.624  -6.519   2.695
   36    HA   ILE   7           HA       ILE   7   5.805  -6.660   1.972
   37    HB   ILE   7           HB       ILE   7   5.851  -8.861   2.585
   38   1HG1  ILE   7          1HG1      ILE   7   6.595  -8.505   4.900
   39   2HG1  ILE   7          2HG1      ILE   7   7.362  -9.899   4.166
   40   1HG2  ILE   7          1HG2      ILE   7   7.957  -9.859   1.723
   41   2HG2  ILE   7          2HG2      ILE   7   7.283  -8.592   0.670
   42   3HG2  ILE   7          3HG2      ILE   7   8.682  -8.233   1.710
   43   1HD1  ILE   7          1HD1      ILE   7   9.355  -8.409   3.601
   44   2HD1  ILE   7          2HD1      ILE   7   8.586  -7.137   4.580
   45   3HD1  ILE   7          3HD1      ILE   7   9.083  -8.667   5.342
   46    H    VAL   8           H        VAL   8   7.717  -5.027   4.164
   47    HA   VAL   8           HA       VAL   8   6.165  -5.490   6.519
   48    HB   VAL   8           HB       VAL   8   8.162  -3.334   5.802
   49   1HG1  VAL   8          1HG1      VAL   8   8.381  -3.053   8.263
   50   2HG1  VAL   8          2HG1      VAL   8   6.767  -2.615   7.653
   51   3HG1  VAL   8          3HG1      VAL   8   7.013  -4.169   8.486
   52   1HG2  VAL   8          1HG2      VAL   8   9.636  -4.795   7.347
   53   2HG2  VAL   8          2HG2      VAL   8   8.450  -6.081   7.020
   54   3HG2  VAL   8          3HG2      VAL   8   9.357  -5.345   5.677
   55    H    ALA   9           H        ALA   9   6.284  -3.075   3.857
   56    HA   ALA   9           HA       ALA   9   4.432  -1.307   5.033
   57   1HB   ALA   9          1HB       ALA   9   5.370  -1.798   2.183
   58   2HB   ALA   9          2HB       ALA   9   4.266  -0.477   2.635
   59   3HB   ALA   9          3HB       ALA   9   5.913  -0.531   3.309
   60    H    ARG  10           H        ARG  10   4.172  -4.337   3.206
   61    HA   ARG  10           HA       ARG  10   1.485  -3.939   2.489
   62   1HB   ARG  10          1HB       ARG  10   3.223  -6.447   2.679
   63   2HB   ARG  10          2HB       ARG  10   1.584  -6.476   2.061
   64   1HG   ARG  10          1HG       ARG  10   2.225  -4.788   0.315
   65   2HG   ARG  10          2HG       ARG  10   3.869  -4.796   0.923
   66   1HD   ARG  10          1HD       ARG  10   3.890  -7.340   0.490
   67   2HD   ARG  10          2HD       ARG  10   2.371  -7.127  -0.356
   68    HE   ARG  10           HE       ARG  10   5.025  -6.271  -1.279
   69   1HH1  ARG  10          2HH2      ARG  10   1.565  -5.721  -1.599
   70   2HH1  ARG  10          1HH2      ARG  10   1.671  -5.189  -3.244
   71   1HH2  ARG  10          2HH1      ARG  10   5.171  -5.539  -3.440
   72   2HH2  ARG  10          1HH1      ARG  10   3.745  -5.014  -4.273
   73    H    SER  11           H        SER  11   3.137  -4.829   5.419
   74    HA   SER  11           HA       SER  11   1.044  -6.421   6.473
   75   1HB   SER  11          1HB       SER  11   3.500  -6.546   7.134
   76   2HB   SER  11          2HB       SER  11   3.300  -5.019   7.969
   77    HG   SER  11           HG       SER  11   1.773  -5.983   9.385
   78    H    ASN  12           H        ASN  12   1.822  -2.991   6.255
   79    HA   ASN  12           HA       ASN  12   0.241  -2.222   8.464
   80   1HB   ASN  12          1HB       ASN  12   1.346  -0.681   6.061
   81   2HB   ASN  12          2HB       ASN  12   0.479   0.098   7.370
   82   1HD2  ASN  12          2HD2      ASN  12   1.295  -0.191   9.561
   83   2HD2  ASN  12          1HD2      ASN  12   3.001  -0.309   9.837
   84    H    PHE  13           H        PHE  13  -0.361  -3.298   5.233
   85    HA   PHE  13           HA       PHE  13  -2.616  -1.700   4.634
   86   1HB   PHE  13          1HB       PHE  13  -1.008  -3.205   3.162
   87   2HB   PHE  13          2HB       PHE  13  -1.985  -4.555   3.706
   88    HD1  PHE  13          1HD       PHE  13  -2.533  -1.148   2.261
   89    HD2  PHE  13          2HD       PHE  13  -3.652  -5.241   2.282
   90    HE1  PHE  13          1HE       PHE  13  -4.170  -0.710   0.409
   91    HE2  PHE  13          2HE       PHE  13  -5.289  -4.804   0.431
   92    HZ   PHE  13           HZ       PHE  13  -5.529  -2.543  -0.484
   93    H    ASN  14           H        ASN  14  -2.094  -4.213   6.915
   94    HA   ASN  14           HA       ASN  14  -4.537  -5.536   6.694
   95   1HB   ASN  14          1HB       ASN  14  -2.524  -5.172   8.959
   96   2HB   ASN  14          2HB       ASN  14  -3.995  -6.093   9.207
   97   1HD2  ASN  14          2HD2      ASN  14  -0.850  -6.383   8.560
   98   2HD2  ASN  14          1HD2      ASN  14  -0.821  -7.903   7.731
   99    H    VAL  15           H        VAL  15  -3.580  -2.391   7.850
  100    HA   VAL  15           HA       VAL  15  -5.629  -2.091   9.815
  101    HB   VAL  15           HB       VAL  15  -3.858  -0.099   8.385
  102   1HG1  VAL  15          1HG1      VAL  15  -5.699   1.140   9.217
  103   2HG1  VAL  15          2HG1      VAL  15  -5.748   0.205  10.731
  104   3HG1  VAL  15          3HG1      VAL  15  -4.406   1.334  10.424
  105   1HG2  VAL  15          1HG2      VAL  15  -2.556  -1.704   9.660
  106   2HG2  VAL  15          2HG2      VAL  15  -2.553  -0.133  10.497
  107   3HG2  VAL  15          3HG2      VAL  15  -3.588  -1.455  11.089
  108    H    CYS  16           H        CYS  16  -5.558  -2.198   6.390
  109    HA   CYS  16           HA       CYS  16  -7.581  -0.250   5.941
  110   1HB   CYS  16          1HB       CYS  16  -5.747  -1.373   4.347
  111   2HB   CYS  16          2HB       CYS  16  -7.092  -2.436   3.981
  112    H    ARG  17           H        ARG  17  -7.365  -3.651   6.875
  113    HA   ARG  17           HA       ARG  17  -9.992  -4.288   6.061
  114   1HB   ARG  17          1HB       ARG  17  -7.839  -5.629   7.715
  115   2HB   ARG  17          2HB       ARG  17  -9.468  -6.269   7.797
  116   1HG   ARG  17          1HG       ARG  17  -8.320  -7.473   6.038
  117   2HG   ARG  17          2HG       ARG  17  -9.483  -6.415   5.263
  118   1HD   ARG  17          1HD       ARG  17  -7.816  -4.915   4.496
  119   2HD   ARG  17          2HD       ARG  17  -6.661  -5.409   5.717
  120    HE   ARG  17           HE       ARG  17  -7.245  -6.810   3.178
  121   1HH1  ARG  17          2HH2      ARG  17  -6.039  -7.389   6.411
  122   2HH1  ARG  17          1HH2      ARG  17  -4.625  -8.241   5.887
  123   1HH2  ARG  17          2HH1      ARG  17  -5.464  -8.095   2.465
  124   2HH2  ARG  17          1HH1      ARG  17  -4.443  -8.852   3.643
  125    H    LEU  18           H        LEU  18  -8.473  -2.779   8.852
  126    HA   LEU  18           HA       LEU  18 -10.387  -3.420  10.795
  127   1HB   LEU  18          1HB       LEU  18  -8.107  -1.620  10.474
  128   2HB   LEU  18          2HB       LEU  18  -9.371  -0.944  11.481
  129    HG   LEU  18           HG       LEU  18  -9.302  -3.041  12.868
  130   1HD1  LEU  18          1HD1      LEU  18  -8.340  -4.566  11.242
  131   2HD1  LEU  18          2HD1      LEU  18  -6.832  -3.621  11.210
  132   3HD1  LEU  18          3HD1      LEU  18  -7.312  -4.481  12.693
  133   1HD2  LEU  18          1HD2      LEU  18  -8.213  -0.997  13.608
  134   2HD2  LEU  18          2HD2      LEU  18  -7.249  -2.420  14.070
  135   3HD2  LEU  18          3HD2      LEU  18  -6.749  -1.417  12.687
  136    HA   PRO  19           HA       PRO  19 -13.650  -0.730   9.925
  137   1HB   PRO  19          1HB       PRO  19 -14.427   0.253  12.354
  138   2HB   PRO  19          2HB       PRO  19 -14.840  -1.355  11.794
  139   1HG   PRO  19          1HG       PRO  19 -12.829  -0.553  13.807
  140   2HG   PRO  19          2HG       PRO  19 -13.550  -2.129  13.543
  141   1HD   PRO  19          1HD       PRO  19 -10.920  -1.292  12.761
  142   2HD   PRO  19          2HD       PRO  19 -11.684  -2.826  12.396
  143    H    GLY  20           H        GLY  20 -10.843   0.585  11.242
  144   1HA   GLY  20          1HA       GLY  20 -11.713   3.333  11.060
  145   2HA   GLY  20          2HA       GLY  20 -10.107   2.735  11.426
  146    H    THR  21           H        THR  21 -10.075   0.899   9.019
  147    HA   THR  21           HA       THR  21  -9.216   0.995   6.965
  148    HB   THR  21           HB       THR  21 -11.251   3.232   6.513
  149    HG1  THR  21          1HG       THR  21 -12.205   1.458   7.715
  150   1HG2  THR  21          1HG2      THR  21 -10.357   0.839   4.818
  151   2HG2  THR  21          2HG2      THR  21 -11.578   2.047   4.352
  152   3HG2  THR  21          3HG2      THR  21  -9.873   2.527   4.527
  153    H    SER  22           H        SER  22  -7.723   2.419   8.899
  154    HA   SER  22           HA       SER  22  -6.233   3.996   9.144
  155   1HB   SER  22          1HB       SER  22  -4.576   4.036   7.481
  156   2HB   SER  22          2HB       SER  22  -5.419   2.540   7.131
  157    HG   SER  22           HG       SER  22  -6.761   3.922   5.595
  158    H    GLU  23           H        GLU  23  -5.474   5.862   6.725
  159    HA   GLU  23           HA       GLU  23  -7.423   7.855   7.446
  160   1HB   GLU  23          1HB       GLU  23  -4.854   8.059   5.812
  161   2HB   GLU  23          2HB       GLU  23  -5.852   9.421   6.278
  162   1HG   GLU  23          1HG       GLU  23  -4.454   7.500   8.199
  163   2HG   GLU  23          2HG       GLU  23  -3.943   9.138   7.840
  164    HE2  GLU  23           HE       GLU  23  -6.694   8.577  10.584
  165    H    ALA  24           H        ALA  24  -8.655   5.880   5.957
  166    HA   ALA  24           HA       ALA  24 -10.074   5.734   4.251
  167   1HB   ALA  24          1HB       ALA  24  -9.959   8.357   4.462
  168   2HB   ALA  24          2HB       ALA  24  -9.013   8.244   2.959
  169   3HB   ALA  24          3HB       ALA  24 -10.678   7.616   3.012
  170    H    ILE  25           H        ILE  25  -7.143   7.358   2.830
  171    HA   ILE  25           HA       ILE  25  -7.031   5.225   0.864
  172    HB   ILE  25           HB       ILE  25  -5.276   7.665   1.069
  173   1HG1  ILE  25          1HG1      ILE  25  -7.535   8.491   1.105
  174   2HG1  ILE  25          2HG1      ILE  25  -6.854   8.767  -0.486
  175   1HG2  ILE  25          1HG2      ILE  25  -4.402   6.030  -0.438
  176   2HG2  ILE  25          2HG2      ILE  25  -5.997   5.779  -1.186
  177   3HG2  ILE  25          3HG2      ILE  25  -5.143   7.325  -1.409
  178   1HD1  ILE  25          1HD1      ILE  25  -8.756   6.517   0.308
  179   2HD1  ILE  25          2HD1      ILE  25  -9.116   7.899  -0.754
  180   3HD1  ILE  25          3HD1      ILE  25  -7.973   6.642  -1.285
  181    H    CYS  26           H        CYS  26  -6.479   3.518   2.409
  182    HA   CYS  26           HA       CYS  26  -4.209   3.692   4.024
  183   1HB   CYS  26          1HB       CYS  26  -4.406   1.290   4.264
  184   2HB   CYS  26          2HB       CYS  26  -5.967   2.072   4.420
  185    H    ALA  27           H        ALA  27  -4.821   2.538   0.658
  186    HA   ALA  27           HA       ALA  27  -2.501   1.312   0.040
  187   1HB   ALA  27          1HB       ALA  27  -4.389   1.568  -1.496
  188   2HB   ALA  27          2HB       ALA  27  -4.075   3.315  -1.628
  189   3HB   ALA  27          3HB       ALA  27  -2.896   2.147  -2.272
  190    H    THR  28           H        THR  28  -3.048   4.787   0.627
  191    HA   THR  28           HA       THR  28  -0.328   5.407  -0.212
  192    HB   THR  28           HB       THR  28  -2.660   7.113   0.811
  193    HG1  THR  28          1HG       THR  28  -1.388   6.602  -1.787
  194   1HG2  THR  28          1HG2      THR  28   0.010   7.852  -0.499
  195   2HG2  THR  28          2HG2      THR  28  -1.353   8.977  -0.287
  196   3HG2  THR  28          3HG2      THR  28  -0.518   8.312   1.138
  197    H    TYR  29           H        TYR  29  -2.362   5.334   2.762
  198    HA   TYR  29           HA       TYR  29  -0.031   6.032   4.344
  199   1HB   TYR  29          1HB       TYR  29  -3.029   5.531   4.700
  200   2HB   TYR  29          2HB       TYR  29  -2.005   5.563   6.122
  201    HD1  TYR  29          1HD       TYR  29  -1.267   7.622   7.066
  202    HD2  TYR  29          2HD       TYR  29  -3.166   7.595   3.232
  203    HE1  TYR  29          1HE       TYR  29  -1.445  10.157   7.128
  204    HE2  TYR  29          2HE       TYR  29  -3.337  10.131   3.308
  205    HH   TYR  29           HH       TYR  29  -2.957  11.925   4.438
  206    H    THR  30           H        THR  30   0.466   3.652   2.985
  207    HA   THR  30           HA       THR  30   0.499   1.783   5.231
  208    HB   THR  30           HB       THR  30  -1.500   1.302   3.702
  209    HG1  THR  30          1HG       THR  30   0.817  -0.501   3.784
  210   1HG2  THR  30          1HG2      THR  30  -0.041   1.865   1.559
  211   2HG2  THR  30          2HG2      THR  30   0.585   0.213   1.778
  212   3HG2  THR  30          3HG2      THR  30  -1.153   0.476   1.502
  213    H    GLY  31           H        GLY  31   2.286   3.698   3.441
  214   1HA   GLY  31          1HA       GLY  31   4.562   3.615   3.205
  215   2HA   GLY  31          2HA       GLY  31   4.551   1.887   3.500
  216    H    CYS  32           H        CYS  32   2.225   1.644   1.438
  217    HA   CYS  32           HA       CYS  32   4.008   1.375  -0.821
  218   1HB   CYS  32          1HB       CYS  32   1.111   0.545  -0.594
  219   2HB   CYS  32          2HB       CYS  32   2.255   0.067  -1.833
  220    H    ILE  33           H        ILE  33   2.490   1.815  -3.033
  221    HA   ILE  33           HA       ILE  33   1.278   4.456  -2.681
  222    HB   ILE  33           HB       ILE  33   2.439   5.232  -4.708
  223   1HG1  ILE  33          1HG1      ILE  33   4.087   2.701  -4.424
  224   2HG1  ILE  33          2HG1      ILE  33   2.922   3.019  -5.694
  225   1HG2  ILE  33          1HG2      ILE  33   4.412   4.393  -2.575
  226   2HG2  ILE  33          2HG2      ILE  33   4.472   5.826  -3.629
  227   3HG2  ILE  33          3HG2      ILE  33   3.226   5.703  -2.363
  228   1HD1  ILE  33          1HD1      ILE  33   4.268   5.130  -6.258
  229   2HD1  ILE  33          2HD1      ILE  33   5.516   4.520  -5.145
  230   3HD1  ILE  33          3HD1      ILE  33   5.082   3.584  -6.596
  231    H    ILE  34           H        ILE  34   0.220   5.071  -4.969
  232    HA   ILE  34           HA       ILE  34  -1.347   2.704  -5.672
  233    HB   ILE  34           HB       ILE  34  -1.892   5.662  -5.900
  234   1HG1  ILE  34          1HG1      ILE  34  -3.497   3.629  -4.360
  235   2HG1  ILE  34          2HG1      ILE  34  -2.061   4.350  -3.659
  236   1HG2  ILE  34          1HG2      ILE  34  -4.145   4.982  -6.717
  237   2HG2  ILE  34          2HG2      ILE  34  -2.826   4.641  -7.862
  238   3HG2  ILE  34          3HG2      ILE  34  -3.532   3.321  -6.900
  239   1HD1  ILE  34          1HD1      ILE  34  -4.024   5.668  -3.016
  240   2HD1  ILE  34          2HD1      ILE  34  -3.013   6.635  -4.117
  241   3HD1  ILE  34          3HD1      ILE  34  -4.495   5.856  -4.722
  242    H    ILE  35           H        ILE  35  -1.537   1.979  -7.800
  243    HA   ILE  35           HA       ILE  35  -0.027   3.469  -9.807
  244    HB   ILE  35           HB       ILE  35   1.437   1.841 -10.291
  245   1HG1  ILE  35          1HG1      ILE  35  -0.380   0.239 -10.912
  246   2HG1  ILE  35          2HG1      ILE  35   1.062  -0.511 -10.258
  247   1HG2  ILE  35          1HG2      ILE  35   1.912   2.382  -7.987
  248   2HG2  ILE  35          2HG2      ILE  35   0.753   1.156  -7.420
  249   3HG2  ILE  35          3HG2      ILE  35   2.235   0.655  -8.269
  250   1HD1  ILE  35          1HD1      ILE  35  -1.433   0.129  -8.618
  251   2HD1  ILE  35          2HD1      ILE  35  -1.049  -1.469  -9.301
  252   3HD1  ILE  35          3HD1      ILE  35   0.003  -0.759  -8.053
  253    HA   PRO  36           HA       PRO  36  -3.309   2.326 -12.366
  254   1HB   PRO  36          1HB       PRO  36  -2.168   1.976 -14.824
  255   2HB   PRO  36          2HB       PRO  36  -2.510   3.553 -14.143
  256   1HG   PRO  36          1HG       PRO  36   0.092   2.177 -14.413
  257   2HG   PRO  36          2HG       PRO  36  -0.227   3.878 -14.140
  258   1HD   PRO  36          1HD       PRO  36   0.647   1.962 -12.193
  259   2HD   PRO  36          2HD       PRO  36   0.217   3.635 -11.897
  260    H    GLY  37           H        GLY  37  -0.649   0.199 -13.332
  261   1HA   GLY  37          1HA       GLY  37  -2.375  -2.085 -12.716
  262   2HA   GLY  37          2HA       GLY  37  -1.806  -1.911 -14.364
  263    H    ALA  38           H        ALA  38   0.133  -2.838 -14.883
  264    HA   ALA  38           HA       ALA  38   1.799  -3.708 -12.644
  265   1HB   ALA  38          1HB       ALA  38   1.748  -4.539 -15.574
  266   2HB   ALA  38          2HB       ALA  38   2.753  -5.269 -14.299
  267   3HB   ALA  38          3HB       ALA  38   0.981  -5.418 -14.230
  268    H    THR  39           H        THR  39   1.486  -0.982 -14.395
  269    HA   THR  39           HA       THR  39   4.344  -0.713 -15.000
  270    HB   THR  39           HB       THR  39   1.941   1.038 -15.740
  271    HG1  THR  39          1HG       THR  39   1.928  -1.140 -16.670
  272   1HG2  THR  39          1HG2      THR  39   4.777   0.849 -16.886
  273   2HG2  THR  39          2HG2      THR  39   3.469   1.884 -17.509
  274   3HG2  THR  39          3HG2      THR  39   4.167   2.202 -15.903
  275    H    CYS  40           H        CYS  40   4.761  -0.766 -12.613
  276    HA   CYS  40           HA       CYS  40   3.806   1.418 -11.080
  277   1HB   CYS  40          1HB       CYS  40   6.023  -0.582 -10.610
  278   2HB   CYS  40          2HB       CYS  40   5.568   0.651  -9.451
  279    HA   PRO  41           HA       PRO  41   6.839   4.321 -12.243
  280   1HB   PRO  41          1HB       PRO  41   6.936   5.944 -10.047
  281   2HB   PRO  41          2HB       PRO  41   5.679   6.052 -11.263
  282   1HG   PRO  41          1HG       PRO  41   5.529   4.912  -8.540
  283   2HG   PRO  41          2HG       PRO  41   4.222   5.412  -9.594
  284   1HD   PRO  41          1HD       PRO  41   5.064   2.723  -9.063
  285   2HD   PRO  41          2HD       PRO  41   3.835   3.230 -10.204
  286    H    GLY  42           H        GLY  42   8.883   5.614 -11.313
  287   1HA   GLY  42          1HA       GLY  42  10.726   3.480 -10.711
  288   2HA   GLY  42          2HA       GLY  42  11.092   5.170 -10.995
  289    H    ASP  43           H        ASP  43   8.959   3.477  -8.581
  290    HA   ASP  43           HA       ASP  43  10.366   5.011  -6.547
  291   1HB   ASP  43          1HB       ASP  43   7.574   3.806  -6.679
  292   2HB   ASP  43          2HB       ASP  43   8.270   4.312  -5.153
  293    HD2  ASP  43           HD       ASP  43   7.565   7.274  -7.775
  294    H    TYR  44           H        TYR  44   8.676   1.837  -7.165
  295    HA   TYR  44           HA       TYR  44  10.679   0.561  -5.428
  296   1HB   TYR  44          1HB       TYR  44   7.707  -0.099  -5.912
  297   2HB   TYR  44          2HB       TYR  44   8.754  -0.963  -4.804
  298    HD1  TYR  44          1HD       TYR  44   6.044   0.769  -4.490
  299    HD2  TYR  44          2HD       TYR  44  10.165   1.357  -3.504
  300    HE1  TYR  44          1HE       TYR  44   5.377   2.354  -2.617
  301    HE2  TYR  44          2HE       TYR  44   9.485   2.940  -1.635
  302    HH   TYR  44           HH       TYR  44   6.189   3.246  -0.643
  303    H    ALA  45           H        ALA  45   8.223   0.013  -8.050
  304    HA   ALA  45           HA       ALA  45   8.202  -1.385  -9.768
  305   1HB   ALA  45          1HB       ALA  45  11.221  -0.996  -9.655
  306   2HB   ALA  45          2HB       ALA  45  10.286  -1.554 -11.063
  307   3HB   ALA  45          3HB       ALA  45  10.066   0.102 -10.448
  308    H    ASN  46           H        ASN  46   7.372  -3.149  -8.476
  309    HA   ASN  46           HA       ASN  46   9.394  -5.021  -7.589
  310   1HB   ASN  46          1HB       ASN  46   6.354  -5.086  -7.206
  311   2HB   ASN  46          2HB       ASN  46   7.502  -6.153  -6.422
  312   1HD2  ASN  46          2HD2      ASN  46   9.307  -5.017  -5.225
  313   2HD2  ASN  46          1HD2      ASN  46   8.852  -3.697  -4.200
  Start of MODEL   10
    1    H    THR   1           H        THR   1  -8.582  -3.916  -0.619
    2    HA   THR   1           HA       THR   1  -6.363  -5.189   0.348
    3    HB   THR   1           HB       THR   1  -6.660  -6.765  -1.590
    4    HG1  THR   1          1HG       THR   1  -4.415  -6.503  -2.127
    5   1HG2  THR   1          1HG2      THR   1  -7.597  -5.042  -3.223
    6   2HG2  THR   1          2HG2      THR   1  -5.978  -4.303  -3.279
    7   3HG2  THR   1          3HG2      THR   1  -6.218  -5.966  -3.868
    8    H    THR   2           H        THR   2  -4.265  -4.098  -1.099
    9    HA   THR   2           HA       THR   2  -5.005  -1.252  -1.242
   10    HB   THR   2           HB       THR   2  -2.625  -2.568   0.169
   11    HG1  THR   2          1HG       THR   2  -3.797  -1.714   1.987
   12   1HG2  THR   2          1HG2      THR   2  -2.044  -0.341  -0.921
   13   2HG2  THR   2          2HG2      THR   2  -3.397   0.389  -0.023
   14   3HG2  THR   2          3HG2      THR   2  -2.008  -0.290   0.858
   15    H    CYS   3           H        CYS   3  -4.573  -0.365  -3.154
   16    HA   CYS   3           HA       CYS   3  -2.699  -1.803  -4.860
   17   1HB   CYS   3          1HB       CYS   3  -4.663   0.370  -5.611
   18   2HB   CYS   3          2HB       CYS   3  -3.698  -0.596  -6.709
   19    H    CYS   4           H        CYS   4  -0.991  -0.589  -5.968
   20    HA   CYS   4           HA       CYS   4  -0.529   2.087  -4.922
   21   1HB   CYS   4          1HB       CYS   4   0.755   0.007  -3.761
   22   2HB   CYS   4          2HB       CYS   4   1.868   0.354  -5.070
   23    HA   PRO   5           HA       PRO   5   0.488   2.562  -9.141
   24   1HB   PRO   5          1HB       PRO   5   1.565   5.073  -9.083
   25   2HB   PRO   5          2HB       PRO   5  -0.161   4.771  -9.121
   26   1HG   PRO   5          1HG       PRO   5   1.518   5.637  -6.848
   27   2HG   PRO   5          2HG       PRO   5  -0.222   5.738  -7.029
   28   1HD   PRO   5          1HD       PRO   5   1.231   3.836  -5.448
   29   2HD   PRO   5          2HD       PRO   5  -0.499   3.867  -5.722
   30    H    SER   6           H        SER   6   2.878   2.839  -6.679
   31    HA   SER   6           HA       SER   6   4.754   1.776  -8.609
   32   1HB   SER   6          1HB       SER   6   6.550   3.296  -7.590
   33   2HB   SER   6          2HB       SER   6   5.396   4.072  -8.657
   34    HG   SER   6           HG       SER   6   5.041   3.991  -5.789
   35    H    ILE   7           H        ILE   7   6.159   0.222  -7.705
   36    HA   ILE   7           HA       ILE   7   5.394  -0.789  -5.165
   37    HB   ILE   7           HB       ILE   7   6.147  -2.071  -7.220
   38   1HG1  ILE   7          1HG1      ILE   7   7.496  -2.764  -4.595
   39   2HG1  ILE   7          2HG1      ILE   7   5.796  -3.022  -4.933
   40   1HG2  ILE   7          1HG2      ILE   7   8.448  -2.398  -7.650
   41   2HG2  ILE   7          2HG2      ILE   7   8.214  -0.637  -7.538
   42   3HG2  ILE   7          3HG2      ILE   7   8.930  -1.528  -6.174
   43   1HD1  ILE   7          1HD1      ILE   7   8.170  -4.282  -6.369
   44   2HD1  ILE   7          2HD1      ILE   7   6.927  -5.105  -5.397
   45   3HD1  ILE   7          3HD1      ILE   7   6.499  -4.395  -6.972
   46    H    VAL   8           H        VAL   8   7.633   1.626  -6.274
   47    HA   VAL   8           HA       VAL   8   9.629   1.371  -4.349
   48    HB   VAL   8           HB       VAL   8   8.531   3.718  -5.896
   49   1HG1  VAL   8          1HG1      VAL   8   9.538   4.689  -3.956
   50   2HG1  VAL   8          2HG1      VAL   8  10.938   3.593  -4.056
   51   3HG1  VAL   8          3HG1      VAL   8  10.703   4.853  -5.292
   52   1HG2  VAL   8          1HG2      VAL   8   9.566   1.975  -7.255
   53   2HG2  VAL   8          2HG2      VAL   8  10.590   3.431  -7.230
   54   3HG2  VAL   8          3HG2      VAL   8  11.025   2.019  -6.237
   55    H    ALA   9           H        ALA   9   6.370   2.854  -4.277
   56    HA   ALA   9           HA       ALA   9   6.815   4.055  -1.713
   57   1HB   ALA   9          1HB       ALA   9   5.298   5.038  -3.390
   58   2HB   ALA   9          2HB       ALA   9   4.283   3.577  -3.338
   59   3HB   ALA   9          3HB       ALA   9   4.415   4.620  -1.902
   60    H    ARG  10           H        ARG  10   5.555   0.995  -3.034
   61    HA   ARG  10           HA       ARG  10   4.160   0.173  -0.818
   62   1HB   ARG  10          1HB       ARG  10   4.180  -0.926  -3.105
   63   2HB   ARG  10          2HB       ARG  10   5.769  -1.573  -2.749
   64   1HG   ARG  10          1HG       ARG  10   4.318  -3.352  -2.166
   65   2HG   ARG  10          2HG       ARG  10   4.684  -2.611  -0.620
   66   1HD   ARG  10          1HD       ARG  10   2.336  -2.827  -0.523
   67   2HD   ARG  10          2HD       ARG  10   2.528  -1.165  -1.043
   68    HE   ARG  10           HE       ARG  10   2.440  -2.593  -3.428
   69   1HH1  ARG  10          2HH2      ARG  10   0.303  -2.128  -0.673
   70   2HH1  ARG  10          1HH2      ARG  10  -1.112  -2.659  -1.519
   71   1HH2  ARG  10          2HH1      ARG  10   0.544  -3.110  -4.596
   72   2HH2  ARG  10          1HH1      ARG  10  -0.993  -3.102  -3.798
   73    H    SER  11           H        SER  11   7.623   0.391  -1.461
   74    HA   SER  11           HA       SER  11   8.590  -1.536   0.212
   75   1HB   SER  11          1HB       SER  11   9.896   1.191  -0.003
   76   2HB   SER  11          2HB       SER  11  10.668  -0.378   0.103
   77    HG   SER  11           HG       SER  11   9.902   1.011  -2.128
   78    H    ASN  12           H        ASN  12   7.105   1.608   0.922
   79    HA   ASN  12           HA       ASN  12   8.074   1.684   3.586
   80   1HB   ASN  12          1HB       ASN  12   5.767   3.206   2.261
   81   2HB   ASN  12          2HB       ASN  12   6.474   3.609   3.813
   82   1HD2  ASN  12          2HD2      ASN  12   8.651   4.308   3.926
   83   2HD2  ASN  12          1HD2      ASN  12   9.421   5.086   2.584
   84    H    PHE  13           H        PHE  13   5.106   0.685   1.810
   85    HA   PHE  13           HA       PHE  13   3.448   0.344   4.032
   86   1HB   PHE  13          1HB       PHE  13   2.844   0.430   1.547
   87   2HB   PHE  13          2HB       PHE  13   3.604  -1.135   1.336
   88    HD1  PHE  13          1HD       PHE  13   0.735   0.621   2.822
   89    HD2  PHE  13          2HD       PHE  13   2.490  -3.154   1.997
   90    HE1  PHE  13          1HE       PHE  13  -1.438  -0.510   3.371
   91    HE2  PHE  13          2HE       PHE  13   0.317  -4.284   2.546
   92    HZ   PHE  13           HZ       PHE  13  -1.620  -2.949   3.226
   93    H    ASN  14           H        ASN  14   6.159  -1.516   2.821
   94    HA   ASN  14           HA       ASN  14   5.404  -4.029   3.645
   95   1HB   ASN  14          1HB       ASN  14   8.146  -2.682   3.490
   96   2HB   ASN  14          2HB       ASN  14   7.961  -4.388   3.843
   97   1HD2  ASN  14          2HD2      ASN  14   9.401  -3.836   1.729
   98   2HD2  ASN  14          1HD2      ASN  14   8.578  -4.151   0.238
   99    H    VAL  15           H        VAL  15   6.544  -1.151   5.383
  100    HA   VAL  15           HA       VAL  15   7.444  -2.438   7.720
  101    HB   VAL  15           HB       VAL  15   6.424   0.359   7.193
  102   1HG1  VAL  15          1HG1      VAL  15   6.246  -0.057   9.559
  103   2HG1  VAL  15          2HG1      VAL  15   7.870  -0.783   9.605
  104   3HG1  VAL  15          3HG1      VAL  15   7.682   0.956   9.276
  105   1HG2  VAL  15          1HG2      VAL  15   9.223  -0.816   7.269
  106   2HG2  VAL  15          2HG2      VAL  15   8.372  -0.145   5.856
  107   3HG2  VAL  15          3HG2      VAL  15   8.857   0.925   7.193
  108    H    CYS  16           H        CYS  16   4.257  -1.255   6.572
  109    HA   CYS  16           HA       CYS  16   3.019  -1.711   9.094
  110   1HB   CYS  16          1HB       CYS  16   2.140  -0.858   6.380
  111   2HB   CYS  16          2HB       CYS  16   0.929  -1.561   7.433
  112    H    ARG  17           H        ARG  17   3.528  -3.450   5.999
  113    HA   ARG  17           HA       ARG  17   1.689  -5.456   6.415
  114   1HB   ARG  17          1HB       ARG  17   2.757  -5.117   4.235
  115   2HB   ARG  17          2HB       ARG  17   4.345  -5.433   4.904
  116   1HG   ARG  17          1HG       ARG  17   3.575  -7.435   3.729
  117   2HG   ARG  17          2HG       ARG  17   3.639  -7.780   5.446
  118   1HD   ARG  17          1HD       ARG  17   1.171  -7.316   5.615
  119   2HD   ARG  17          2HD       ARG  17   1.119  -7.019   3.889
  120    HE   ARG  17           HE       ARG  17   1.364  -9.338   3.478
  121   1HH1  ARG  17          2HH2      ARG  17   2.131  -8.680   6.843
  122   2HH1  ARG  17          1HH2      ARG  17   1.828 -10.303   7.367
  123   1HH2  ARG  17          2HH1      ARG  17   1.006 -11.498   4.156
  124   2HH2  ARG  17          1HH1      ARG  17   1.289 -11.938   5.807
  125    H    LEU  18           H        LEU  18   5.107  -5.049   7.464
  126    HA   LEU  18           HA       LEU  18   5.361  -7.688   8.470
  127   1HB   LEU  18          1HB       LEU  18   6.954  -5.241   8.298
  128   2HB   LEU  18          2HB       LEU  18   7.225  -6.134   9.781
  129    HG   LEU  18           HG       LEU  18   7.643  -8.188   8.357
  130   1HD1  LEU  18          1HD1      LEU  18   8.183  -7.897   6.012
  131   2HD1  LEU  18          2HD1      LEU  18   6.509  -7.378   6.321
  132   3HD1  LEU  18          3HD1      LEU  18   7.791  -6.163   6.107
  133   1HD2  LEU  18          1HD2      LEU  18   9.944  -7.518   7.778
  134   2HD2  LEU  18          2HD2      LEU  18   9.503  -5.815   8.052
  135   3HD2  LEU  18          3HD2      LEU  18   9.462  -6.974   9.403
  136    HA   PRO  19           HA       PRO  19   3.649  -7.242  12.408
  137   1HB   PRO  19          1HB       PRO  19   5.323  -8.647  14.049
  138   2HB   PRO  19          2HB       PRO  19   4.143  -9.411  13.003
  139   1HG   PRO  19          1HG       PRO  19   7.075  -9.235  12.671
  140   2HG   PRO  19          2HG       PRO  19   5.946 -10.327  11.894
  141   1HD   PRO  19          1HD       PRO  19   7.170  -8.010  10.728
  142   2HD   PRO  19          2HD       PRO  19   5.955  -9.036   9.992
  143    H    GLY  20           H        GLY  20   4.098  -4.864  12.151
  144   1HA   GLY  20          1HA       GLY  20   5.575  -4.075  14.561
  145   2HA   GLY  20          2HA       GLY  20   6.059  -3.388  13.023
  146    H    THR  21           H        THR  21   3.765  -2.867  11.639
  147    HA   THR  21           HA       THR  21   2.154  -1.348  11.428
  148    HB   THR  21           HB       THR  21   1.408  -2.105  14.298
  149    HG1  THR  21          1HG       THR  21   0.514  -3.970  13.259
  150   1HG2  THR  21          1HG2      THR  21   0.025  -0.320  13.077
  151   2HG2  THR  21          2HG2      THR  21  -0.328  -1.550  11.839
  152   3HG2  THR  21          3HG2      THR  21  -0.883  -1.788  13.513
  153    H    SER  22           H        SER  22   3.986   0.216  11.333
  154    HA   SER  22           HA       SER  22   4.560   1.694  13.655
  155   1HB   SER  22          1HB       SER  22   6.249   1.665  11.983
  156   2HB   SER  22          2HB       SER  22   5.121   2.050  10.699
  157    HG   SER  22           HG       SER  22   6.029   3.817  12.805
  158    H    GLU  23           H        GLU  23   3.238   3.010  10.540
  159    HA   GLU  23           HA       GLU  23   1.720   4.891  12.104
  160   1HB   GLU  23          1HB       GLU  23   2.173   4.653   9.097
  161   2HB   GLU  23          2HB       GLU  23   1.265   5.944   9.858
  162   1HG   GLU  23          1HG       GLU  23   4.178   5.293  10.508
  163   2HG   GLU  23          2HG       GLU  23   3.681   6.533   9.374
  164    HE2  GLU  23           HE       GLU  23   3.655   7.353  13.223
  165    H    ALA  24           H        ALA  24   1.289   1.776  10.881
  166    HA   ALA  24           HA       ALA  24  -0.512   0.478  10.787
  167   1HB   ALA  24          1HB       ALA  24  -1.331   2.211  12.596
  168   2HB   ALA  24          2HB       ALA  24  -2.387   2.787  11.283
  169   3HB   ALA  24          3HB       ALA  24  -2.497   1.099  11.839
  170    H    ILE  25           H        ILE  25  -1.686   3.697   9.556
  171    HA   ILE  25           HA       ILE  25  -2.555   2.348   7.137
  172    HB   ILE  25           HB       ILE  25  -2.923   5.212   8.021
  173   1HG1  ILE  25          1HG1      ILE  25  -5.335   3.696   8.161
  174   2HG1  ILE  25          2HG1      ILE  25  -4.106   2.810   9.041
  175   1HG2  ILE  25          1HG2      ILE  25  -4.768   5.197   6.369
  176   2HG2  ILE  25          2HG2      ILE  25  -3.163   4.979   5.631
  177   3HG2  ILE  25          3HG2      ILE  25  -4.245   3.581   5.837
  178   1HD1  ILE  25          1HD1      ILE  25  -4.802   5.756   9.446
  179   2HD1  ILE  25          2HD1      ILE  25  -5.239   4.416  10.533
  180   3HD1  ILE  25          3HD1      ILE  25  -3.531   4.873  10.327
  181    H    CYS  26           H        CYS  26  -0.328   1.817   6.449
  182    HA   CYS  26           HA       CYS  26   1.287   4.098   5.714
  183   1HB   CYS  26          1HB       CYS  26   1.825   1.146   5.336
  184   2HB   CYS  26          2HB       CYS  26   2.965   2.451   5.074
  185    H    ALA  27           H        ALA  27  -1.455   3.390   4.509
  186    HA   ALA  27           HA       ALA  27  -0.726   2.637   1.802
  187   1HB   ALA  27          1HB       ALA  27  -3.326   3.089   3.297
  188   2HB   ALA  27          2HB       ALA  27  -3.277   2.867   1.532
  189   3HB   ALA  27          3HB       ALA  27  -2.692   1.576   2.608
  190    H    THR  28           H        THR  28  -3.040   5.158   2.974
  191    HA   THR  28           HA       THR  28  -2.410   6.866   0.807
  192    HB   THR  28           HB       THR  28  -3.842   8.457   2.339
  193    HG1  THR  28          1HG       THR  28  -4.696   7.301   4.156
  194   1HG2  THR  28          1HG2      THR  28  -4.855   7.036   0.501
  195   2HG2  THR  28          2HG2      THR  28  -4.984   5.695   1.664
  196   3HG2  THR  28          3HG2      THR  28  -5.919   7.188   1.920
  197    H    TYR  29           H        TYR  29  -0.884   6.273   3.875
  198    HA   TYR  29           HA       TYR  29   0.237   8.866   4.185
  199   1HB   TYR  29          1HB       TYR  29  -0.063   7.170   6.011
  200   2HB   TYR  29          2HB       TYR  29   0.918   6.014   5.131
  201    HD1  TYR  29          1HD       TYR  29   1.019   9.215   7.009
  202    HD2  TYR  29          2HD       TYR  29   3.305   6.032   5.293
  203    HE1  TYR  29          1HE       TYR  29   3.094  10.041   8.223
  204    HE2  TYR  29          2HE       TYR  29   5.373   6.869   6.513
  205    HH   TYR  29           HH       TYR  29   6.207   8.373   7.812
  206    H    THR  30           H        THR  30   1.094   5.929   2.372
  207    HA   THR  30           HA       THR  30   3.712   7.096   1.748
  208    HB   THR  30           HB       THR  30   3.229   4.629   2.616
  209    HG1  THR  30          1HG       THR  30   4.744   5.441   0.238
  210   1HG2  THR  30          1HG2      THR  30   2.768   4.409  -0.406
  211   2HG2  THR  30          2HG2      THR  30   3.017   3.042   0.706
  212   3HG2  THR  30          3HG2      THR  30   1.552   4.044   0.842
  213    H    GLY  31           H        GLY  31   0.514   6.425   0.436
  214   1HA   GLY  31          1HA       GLY  31   0.186   8.031  -1.507
  215   2HA   GLY  31          2HA       GLY  31   1.493   7.136  -2.256
  216    H    CYS  32           H        CYS  32   0.687   4.522  -1.002
  217    HA   CYS  32           HA       CYS  32  -0.874   3.560  -3.048
  218   1HB   CYS  32          1HB       CYS  32  -0.673   2.369  -0.277
  219   2HB   CYS  32          2HB       CYS  32  -1.075   1.532  -1.763
  220    H    ILE  33           H        ILE  33  -3.140   2.555  -2.790
  221    HA   ILE  33           HA       ILE  33  -4.775   4.175  -0.970
  222    HB   ILE  33           HB       ILE  33  -6.483   4.288  -2.759
  223   1HG1  ILE  33          1HG1      ILE  33  -5.210   2.320  -4.025
  224   2HG1  ILE  33          2HG1      ILE  33  -6.220   3.481  -4.864
  225   1HG2  ILE  33          1HG2      ILE  33  -5.328   6.067  -4.071
  226   2HG2  ILE  33          2HG2      ILE  33  -5.144   6.226  -2.308
  227   3HG2  ILE  33          3HG2      ILE  33  -3.801   5.592  -3.289
  228   1HD1  ILE  33          1HD1      ILE  33  -4.310   4.795  -5.555
  229   2HD1  ILE  33          2HD1      ILE  33  -3.225   3.893  -4.470
  230   3HD1  ILE  33          3HD1      ILE  33  -3.920   3.092  -5.900
  231    H    ILE  34           H        ILE  34  -6.748   3.139  -0.246
  232    HA   ILE  34           HA       ILE  34  -6.472   0.230  -0.337
  233    HB   ILE  34           HB       ILE  34  -8.042   1.969   1.567
  234   1HG1  ILE  34          1HG1      ILE  34  -5.307   0.702   1.905
  235   2HG1  ILE  34          2HG1      ILE  34  -5.633   2.416   1.732
  236   1HG2  ILE  34          1HG2      ILE  34  -8.878  -0.355   1.280
  237   2HG2  ILE  34          2HG2      ILE  34  -7.282  -0.954   1.791
  238   3HG2  ILE  34          3HG2      ILE  34  -8.279  -0.005   2.919
  239   1HD1  ILE  34          1HD1      ILE  34  -7.184   2.175   3.796
  240   2HD1  ILE  34          2HD1      ILE  34  -6.417   0.586   4.031
  241   3HD1  ILE  34          3HD1      ILE  34  -5.430   2.067   4.084
  242    H    ILE  35           H        ILE  35  -8.081  -1.098  -1.141
  243    HA   ILE  35           HA       ILE  35 -10.473   0.280  -2.135
  244    HB   ILE  35           HB       ILE  35 -10.393  -1.081  -4.145
  245   1HG1  ILE  35          1HG1      ILE  35  -7.599  -1.970  -3.460
  246   2HG1  ILE  35          2HG1      ILE  35  -8.981  -2.910  -2.935
  247   1HG2  ILE  35          1HG2      ILE  35  -8.653   0.108  -5.293
  248   2HG2  ILE  35          2HG2      ILE  35  -9.358   1.184  -4.064
  249   3HG2  ILE  35          3HG2      ILE  35  -7.783   0.409  -3.769
  250   1HD1  ILE  35          1HD1      ILE  35  -8.101  -3.682  -5.141
  251   2HD1  ILE  35          2HD1      ILE  35  -9.783  -3.113  -5.261
  252   3HD1  ILE  35          3HD1      ILE  35  -8.451  -2.076  -5.825
  253    HA   PRO  36           HA       PRO  36 -12.570  -2.929  -0.153
  254   1HB   PRO  36          1HB       PRO  36 -14.946  -2.959  -1.503
  255   2HB   PRO  36          2HB       PRO  36 -14.568  -1.789  -0.254
  256   1HG   PRO  36          1HG       PRO  36 -14.640  -1.414  -3.185
  257   2HG   PRO  36          2HG       PRO  36 -14.687  -0.200  -1.922
  258   1HD   PRO  36          1HD       PRO  36 -12.435  -0.884  -3.561
  259   2HD   PRO  36          2HD       PRO  36 -12.452   0.246  -2.221
  260    H    GLY  37           H        GLY  37 -12.995  -3.196  -3.652
  261   1HA   GLY  37          1HA       GLY  37 -13.056  -6.093  -3.417
  262   2HA   GLY  37          2HA       GLY  37 -13.285  -5.128  -4.861
  263    H    ALA  38           H        ALA  38 -11.791  -6.320  -6.143
  264    HA   ALA  38           HA       ALA  38  -8.992  -5.959  -5.314
  265   1HB   ALA  38          1HB       ALA  38  -8.516  -8.077  -6.491
  266   2HB   ALA  38          2HB       ALA  38  -9.699  -8.321  -5.185
  267   3HB   ALA  38          3HB       ALA  38 -10.244  -8.254  -6.878
  268    H    THR  39           H        THR  39 -11.084  -4.362  -6.988
  269    HA   THR  39           HA       THR  39  -9.676  -4.425  -9.561
  270    HB   THR  39           HB       THR  39 -12.291  -3.056  -8.739
  271    HG1  THR  39          1HG       THR  39 -11.581  -5.585 -10.055
  272   1HG2  THR  39          1HG2      THR  39 -11.111  -3.848 -11.455
  273   2HG2  THR  39          2HG2      THR  39 -12.743  -3.185 -11.200
  274   3HG2  THR  39          3HG2      THR  39 -11.312  -2.181 -10.864
  275    H    CYS  40           H        CYS  40  -7.803  -3.292  -9.353
  276    HA   CYS  40           HA       CYS  40  -7.676  -0.956  -7.764
  277   1HB   CYS  40          1HB       CYS  40  -5.776  -2.026  -9.860
  278   2HB   CYS  40          2HB       CYS  40  -5.434  -0.684  -8.787
  279    HA   PRO  41           HA       PRO  41  -9.010   1.901 -10.771
  280   1HB   PRO  41          1HB       PRO  41  -7.804   4.202  -9.922
  281   2HB   PRO  41          2HB       PRO  41  -9.267   3.563  -9.198
  282   1HG   PRO  41          1HG       PRO  41  -6.504   3.516  -8.146
  283   2HG   PRO  41          2HG       PRO  41  -8.011   3.279  -7.284
  284   1HD   PRO  41          1HD       PRO  41  -6.154   1.245  -8.083
  285   2HD   PRO  41          2HD       PRO  41  -7.714   1.000  -7.324
  286    H    GLY  42           H        GLY  42  -7.672   0.455 -12.273
  287   1HA   GLY  42          1HA       GLY  42  -6.731   1.234 -14.387
  288   2HA   GLY  42          2HA       GLY  42  -5.618   2.224 -13.464
  289    H    ASP  43           H        ASP  43  -3.634   1.316 -13.992
  290    HA   ASP  43           HA       ASP  43  -3.346  -1.487 -14.157
  291   1HB   ASP  43          1HB       ASP  43  -1.440   0.879 -14.188
  292   2HB   ASP  43          2HB       ASP  43  -0.814  -0.758 -14.158
  293    HD2  ASP  43           HD       ASP  43   0.005   0.330 -16.008
  294    H    TYR  44           H        TYR  44  -1.491   0.937 -12.159
  295    HA   TYR  44           HA       TYR  44  -0.423   0.642 -10.204
  296   1HB   TYR  44          1HB       TYR  44  -3.349  -0.197  -9.756
  297   2HB   TYR  44          2HB       TYR  44  -2.260   0.063  -8.407
  298    HD1  TYR  44          1HD       TYR  44  -2.086   2.191  -7.457
  299    HD2  TYR  44          2HD       TYR  44  -3.592   1.809 -11.444
  300    HE1  TYR  44          1HE       TYR  44  -2.645   4.671  -7.492
  301    HE2  TYR  44          2HE       TYR  44  -4.146   4.290 -11.465
  302    HH   TYR  44           HH       TYR  44  -4.215   6.125 -10.328
  303    H    ALA  45           H        ALA  45   0.190  -1.585 -11.760
  304    HA   ALA  45           HA       ALA  45  -0.382  -3.937 -10.173
  305   1HB   ALA  45          1HB       ALA  45   1.263  -3.503 -12.699
  306   2HB   ALA  45          2HB       ALA  45   0.869  -5.083 -11.980
  307   3HB   ALA  45          3HB       ALA  45  -0.429  -4.052 -12.629
  308    H    ASN  46           H        ASN  46   0.656  -3.102  -8.181
  309    HA   ASN  46           HA       ASN  46   3.501  -3.637  -8.329
  310   1HB   ASN  46          1HB       ASN  46   2.193  -1.252  -6.921
  311   2HB   ASN  46          2HB       ASN  46   3.852  -1.741  -6.638
  312   1HD2  ASN  46          2HD2      ASN  46   1.579  -0.349  -8.862
  313   2HD2  ASN  46          1HD2      ASN  46   2.701   0.258 -10.033