*HEADER    ANTIMICROBIAL PROTEIN                   27-MAR-14   2MN3              
*TITLE     STRUCTURE OF PLATYPUS 'INTERMEDIATE' DEFENSIN-LIKE PEPTIDE (INT-DLP)  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DEFENSIN-BVL;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: DEFB-VL, OADEFB-VL;                                         
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: ORNITHORHYNCHUS ANATINUS;                       
*SOURCE   4 ORGANISM_COMMON: DUCK-BILLED PLATYPUS,DUCKBILL PLATYPUS;             
*SOURCE   5 ORGANISM_TAXID: 9258                                                 
*KEYWDS    DEFENSIN-LIKE PEPTIDE, PLATYPUS DEFENSIN, BETA-DEFENSIN,              
*KEYWDS   2 INTERMEDIATE-DLP, ANTIMICROBIAL PROTEIN                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.M.TORRES, P.S.BANSAL, J.M.S.KOH, G.PAGES, M.J.WU, P.W.KUCHEL        
*REVDAT   1   17-SEP-14 2MN3    0                                                


 16 CYSS HA     17 GLN  H       2.81 
 34 SER  HA     35 ARG  H       3.03 
 37 CYSS HA     38 MET  H       2.96 
 24 LEU  H      37 CYSS HA      4.87 
 26 LEU  H      37 CYSS HA      3.54 
 16 CYSS HA     37 CYSS H       3.83 
 17 GLN  HA     21 ASN  HD22    4.55 
 21 ASN  HA     21 ASN  HD21    4.76 
 23 CYSS HA     24 LEU  H       3.47 
 17 GLN  H      36 CYSS HA      4.29 
 15 GLN  H      38 MET  HA      3.91 
 36 CYSS HA     37 CYSS H       2.85 
 44 HIS  HA     44 HIS  HE1     5.50 
 18 PRO  HA     35 ARG  H       4.17 
 14 GLY  HA2    15 GLN  H       2.99 
 15 GLN  HA     16 CYSS H       2.74 
 15 GLN  HA     37 CYSS H       4.89 
 25 ARG  HA     26 LEU  H       2.80 
 13 ASN  H      13 ASN  HA      2.76 
 40 THR  HA     41 VAL  H       2.87 
 15 GLN  H      39 PRO  HD3     3.95 
 40 THR  H      40 THR  HB      3.78 
 41 VAL  HA     42 ALA  H       3.00 
 32 ARG  HA     33 GLY  H       2.78 
 32 ARG  HA     34 SER  H       3.85 
 19 ARG  HA     35 ARG  HE      4.95 
 19 ARG  HA     21 ASN  H       4.23 
 38 MET  H      39 PRO  HD2     5.07 
 15 GLN  H      39 PRO  HD2     4.71 
 18 PRO  HD3    21 ASN  HD21    4.54 
 18 PRO  HD3    21 ASN  HD22    4.48 
 17 GLN  H      18 PRO  HD3     5.20 
  3 ARG  H       7 PRO  HD3     4.88 
  4 ARG  H       7 PRO  HD3     5.04 
 18 PRO  HD2    21 ASN  HD21    4.21 
 18 PRO  HD2    21 ASN  HD22    4.22 
  4 ARG  H       7 PRO  HD2     5.50 
 17 GLN  H      34 SER  QB      3.70 
 34 SER  QB     35 ARG  H       3.15 
 34 SER  H      34 SER  QB      3.51 
 21 ASN  H      22 PRO  HD3     4.85 
 30 CYSS H      31 PRO  HD2     4.96 
 37 CYSS H      37 CYSS HB3     3.89 
 14 GLY  HA3    15 GLN  H       3.19 
 30 CYSS HB3    34 SER  H       5.41 
 23 CYSS H      23 CYSS HB3     3.64 
 36 CYSS HB3    37 CYSS H       4.40 
 36 CYSS H      36 CYSS HB3     3.26 
 26 LEU  H      36 CYSS HB3     4.25 
 23 CYSS H      23 CYSS HB2     3.64 
 13 ASN  H      13 ASN  HB2     4.08 
 36 CYSS H      36 CYSS HB2     3.12 
 36 CYSS HB2    37 CYSS H       4.58 
 16 CYSS H      16 CYSS HB2     2.90 
 16 CYSS HB3    17 GLN  H       4.05 
 21 ASN  HB3    21 ASN  HD22    4.08 
 37 CYSS H      37 CYSS HB2     3.89 
 21 ASN  H      21 ASN  HB2     3.86 
 21 ASN  HB2    21 ASN  HD22    4.08 
 12 VAL  HB     13 ASN  H       4.41 
 17 GLN  H      17 GLN  HG2     3.97 
 18 PRO  HB2    21 ASN  HD22    4.54 
 18 PRO  HB2    19 ARG  H       3.71 
 18 PRO  HB2    21 ASN  HD21    4.80 
 18 PRO  HB2    20 GLY  H       3.64 
 31 PRO  HB2    32 ARG  H       4.04 
 30 CYSS H      30 CYSS HB2     3.52 
 38 MET  H      38 MET  HB3     3.27 
 17 GLN  H      17 GLN  HG3     3.70 
 17 GLN  HG3    21 ASN  HD22    4.76 
 39 PRO  HB3    40 THR  H       3.98 
 17 GLN  HB3    21 ASN  HD21    4.95 
 10 GLU  HB2    11 ASP  H       3.74 
 39 PRO  HB2    40 THR  H       3.98 
 41 VAL  HB     42 ALA  H       4.32 
 41 VAL  H      41 VAL  HB      3.94 
 18 PRO  HB3    21 ASN  HD22    4.54 
 18 PRO  HB3    19 ARG  H       4.06 
 31 PRO  HB3    32 ARG  H       3.83 
 17 GLN  HB2    21 ASN  HD21    4.95 
 18 PRO  HG2    21 ASN  HD21    5.19 
 18 PRO  HG2    21 ASN  H       5.20 
 18 PRO  HG2    19 ARG  H       4.00 
 18 PRO  HG2    21 ASN  HD22    3.92 
 15 GLN  H      15 GLN  HB3     3.78 
 15 GLN  HB3    16 CYSS H       4.04 
 22 PRO  HG2    23 CYSS H       3.26 
 32 ARG  HB3    33 GLY  H       4.70 
 35 ARG  HB3    35 ARG  HE      3.99 
 32 ARG  HB2    33 GLY  H       4.70 
 27 ARG  H      27 ARG  HB2     3.19 
 24 LEU  H      24 LEU  HB3     3.40 
 35 ARG  HB2    35 ARG  HE      3.99 
 35 ARG  H      35 ARG  HB2     3.90 
 26 LEU  H      26 LEU  HG      4.13 
 42 ALA  H      42 ALA  QB      3.66 
 26 LEU  H      26 LEU  HB2     3.54 
 26 LEU  H      26 LEU  HB3     3.82 
 29 ALA  QB     30 CYSS H       3.86 
 40 THR  H      40 THR  QG2     3.99 
 40 THR  QG2    41 VAL  H       4.12 
 26 LEU  QD2    38 MET  H       5.47 
 26 LEU  H      26 LEU  QD2     4.65 
 26 LEU  H      26 LEU  QD1     4.41 
 26 LEU  QD1    38 MET  H       4.08 
 15 GLN  H      26 LEU  QD1     4.01 
 16 CYSS HB2    31 PRO  HD2     3.79 
 16 CYSS HB2    34 SER  QB      3.76 
 30 CYSS HB2    31 PRO  HD3     5.50 
 32 ARG  HA     33 GLY  HA2     4.88 
 30 CYSS HB3    35 ARG  HA      4.00 
 30 CYSS HB2    35 ARG  HA      3.52 
 36 CYSS HA     36 CYSS HB2     2.84 
 14 GLY  HA3    38 MET  HA      4.70 
 16 CYSS HB3    35 ARG  HA      5.50 
 26 LEU  QD1    38 MET  HA      3.15 
 26 LEU  HA     26 LEU  HG      3.52 
 26 LEU  HA     26 LEU  QD2     2.79 
 24 LEU  HA     24 LEU  QD2     4.13 
 14 GLY  HA2    26 LEU  QD1     3.88 
 15 GLN  HA     16 CYSS HB2     5.19 
 25 ARG  HA     37 CYSS HB2     4.76 
 13 ASN  HA     14 GLY  HA3     5.08 
 26 LEU  QD1    39 PRO  HD3     3.90 
 14 GLY  HA3    39 PRO  HD3     4.00 
  7 PRO  HB2     8 PRO  HD3     3.37 
 38 MET  HB3    39 PRO  HD2     4.08 
  8 PRO  HD3    29 ALA  QB      5.36 
 26 LEU  QD1    39 PRO  HD2     4.09 
 16 CYSS HB3    31 PRO  HD3     4.53 
 30 CYSS HB3    31 PRO  HD3     4.04 
 17 GLN  HG3    18 PRO  HD2     4.77 
  8 PRO  HD2    29 ALA  QB      4.22 
  7 PRO  HB2     8 PRO  HD2     4.28 
 21 ASN  HB3    22 PRO  HD3     4.08 
 30 CYSS HB3    31 PRO  HD2     3.48 
 30 CYSS HB2    31 PRO  HD2     3.67 
 14 GLY  HA3    26 LEU  QD1     3.34 
 14 GLY  HA3    26 LEU  QD2     5.08 
 26 LEU  QD2    36 CYSS HB3     4.66 
 26 LEU  HB2    36 CYSS HB3     3.22 
 26 LEU  HB3    36 CYSS HB3     4.50 
 26 LEU  QD1    36 CYSS HB2     4.98 
 16 CYSS HB3    30 CYSS HB2     4.34 
  8 PRO  HB2    29 ALA  QB      3.98 
 24 LEU  QD2    38 MET  HB3     4.73 
 24 LEU  QD1    38 MET  HB3     4.73 
  8 PRO  HB3    26 LEU  HB3     5.50 
 24 LEU  QD2    38 MET  HB2     5.50 
 26 LEU  QD1    38 MET  HB2     3.98 
 39 PRO  HG3    41 VAL  QG2     3.55 
 26 LEU  HB2    26 LEU  QD2     3.99 
 26 LEU  HB2    26 LEU  QD1     3.42 
 26 LEU  HB3    26 LEU  QD1     3.41 
 41 VAL  HB     42 ALA  QB      5.50 
 26 LEU  HB2    38 MET  HB2     5.50 
  8 PRO  HB2    26 LEU  HB3     4.01 
 10 GLU  HB2    29 ALA  QB      5.45 
 27 ARG  HB3    29 ALA  QB      5.50 
 39 PRO  HG2    41 VAL  QG2     3.55 
 24 LEU  QD1    38 MET  HB2     5.50 
 26 LEU  QD1    38 MET  HB3     4.02 
 16 CYSS HB2    31 PRO  HG2     5.50 
 16 CYSS HB3    31 PRO  HG2     3.62 
 30 CYSS HB2    36 CYSS HB2     3.68 
 30 CYSS HA     31 PRO  HD3     3.23 
 17 GLN  HA     18 PRO  HB3     4.90 
 16 CYSS HB3    30 CYSS HA      4.69 
 30 CYSS HA     31 PRO  HD2     3.27 
 18 PRO  HA     34 SER  QB      4.33 
 38 MET  HA     39 PRO  HD3     3.82 
 16 CYSS HB3    30 CYSS HB3     4.97 
 30 CYSS HB3    36 CYSS HB2     5.50 
 24 LEU  HB3    38 MET  HB3     3.57 
 16 CYSS H      37 CYSS H       5.03 
 37 CYSS H      38 MET  H       5.33 
 34 SER  H      35 ARG  H       4.39 
 17 GLN  H      35 ARG  H       3.44 
 16 CYSS H      17 GLN  H       4.37 
 17 GLN  H      37 CYSS H       4.25 
 35 ARG  H      36 CYSS H       4.48 
 26 LEU  H      38 MET  H       4.69 
 32 ARG  H      33 GLY  H       4.74 
 33 GLY  H      34 SER  H       3.27 
 23 CYSS H      24 LEU  H       4.76 
 20 GLY  H      21 ASN  H       3.84 
 36 CYSS H      37 CYSS H       4.61 
 15 GLN  H      37 CYSS H       3.77 
 15 GLN  H      16 CYSS H       4.77 
 19 ARG  H      20 GLY  H       3.85 
 40 THR  H      41 VAL  H       4.38 
 41 VAL  H      42 ALA  H       4.66 
 25 ARG  H      26 LEU  H       4.66 
 13 ASN  H      14 GLY  H       3.49 
 12 VAL  H      13 ASN  H       3.14 
 12 VAL  H      14 GLY  H       4.84 
 11 ASP  H      12 VAL  H       3.53 
 11 ASP  H      13 ASN  H       4.57 
 14 GLY  H      15 GLN  H       4.75 
 16 CYSS HB2    17 GLN  H       4.57 
 16 CYSS HB2    35 ARG  H       5.50 
 16 CYSS HB3    35 ARG  H       4.74 
 18 PRO  HA     20 GLY  H       5.50 
 18 PRO  HA     19 ARG  H       3.29 
 24 LEU  HA     25 ARG  H       3.22 
 25 ARG  HA     37 CYSS H       5.40 
 27 ARG  HA     28 GLY  H       2.92 
  3 ARG  H       7 PRO  HD2     5.10 
 13 ASN  H      13 ASN  HB3     4.08 
 21 ASN  H      21 ASN  HB3     3.86 
 15 GLN  H      37 CYSS HB2     5.50 
 30 CYSS HB2    36 CYSS H       3.98 
 17 GLN  H      17 GLN  HB3     3.92 
 18 PRO  HB3    21 ASN  HD21    5.50 
 22 PRO  HG3    23 CYSS H       4.55 
 38 MET  H      38 MET  HB2     3.41 
 17 GLN  H      17 GLN  HB2     3.92 
 15 GLN  HB2    16 CYSS H       4.04 
 15 GLN  H      15 GLN  HB2     3.78 
 35 ARG  H      35 ARG  HB3     3.90 
 19 ARG  H      19 ARG  HB3     3.69 
 19 ARG  H      19 ARG  HB2     3.69 
 24 LEU  HB3    38 MET  H       3.15 
 26 LEU  HG     38 MET  H       4.10 
 29 ALA  H      29 ALA  QB      2.85 
 17 GLN  HA     18 PRO  HD2     3.16 
 16 CYSS HA     34 SER  QB      3.54 
 21 ASN  HA     22 PRO  HD3     3.14 
 30 CYSS HA     30 CYSS HB3     2.85 
 16 CYSS HA     17 GLN  HG2     4.32 
 18 PRO  HB2    34 SER  HA      5.41 
 17 GLN  HG3    37 CYSS HA      5.04 
 16 CYSS HA     17 GLN  HG3     4.30 
 17 GLN  HA     17 GLN  HG3     3.88 
 30 CYSS HA     31 PRO  HB3     5.04 
 37 CYSS HA     38 MET  HB2     4.37 
 24 LEU  HB3    37 CYSS HA      5.02 
 26 LEU  HG     37 CYSS HA      4.62 
 26 LEU  HB2    37 CYSS HA      5.39 
 29 ALA  QB     30 CYSS HA      4.98 
 26 LEU  QD2    37 CYSS HA      5.50 
 26 LEU  QD1    37 CYSS HA      4.40 
 24 LEU  HA     24 LEU  QD1     4.13 
 26 LEU  QD2    38 MET  HB2     4.16 
 16 CYSS HB2    31 PRO  HG3     4.80 
 16 CYSS HB3    31 PRO  HG3     4.72 
 27 ARG  HA     27 ARG  HB2     2.92 
 40 THR  HA     40 THR  QG2     3.34 
 16 CYSS HB3    31 PRO  HD2     4.40 
  3 ARG  HA      7 PRO  HD2     4.90 
 25 ARG  HA     37 CYSS HB3     4.76 
  3 ARG  HA      7 PRO  HD3     3.73 
 14 GLY  HA2    39 PRO  HD3     3.48 
 32 ARG  HA     33 GLY  HA3     4.88 
 17 GLN  HA     17 GLN  HG2     3.64 
 25 ARG  HA     26 LEU  HB2     4.39 
 38 MET  HB3    39 PRO  HD3     5.50 
 41 VAL  HA     42 ALA  QB      4.09 
 16 CYSS HB3    34 SER  QB      3.13 
 21 ASN  HB2    22 PRO  HD3     4.08 
 18 PRO  HA     34 SER  HA      3.48 
 25 ARG  HA     37 CYSS HA      3.47 
 21 ASN  HA     22 PRO  HD2     2.92 
 17 GLN  HA     18 PRO  HD3     2.79 
 24 LEU  HB3    24 LEU  QD2     3.24 
 24 LEU  HB3    24 LEU  QD1     3.24 
 26 LEU  HB3    26 LEU  QD2     2.40 
 25 ARG  H      37 CYSS HA      5.50 
 17 GLN  H      30 CYSS HB3     5.50 
 30 CYSS HB3    35 ARG  H       5.50 
 15 GLN  H      37 CYSS HB3     5.50 
 26 LEU  H      37 CYSS HB2     5.50 
 26 LEU  H      37 CYSS HB3     5.50 
 22 PRO  HD3    23 CYSS H       4.94 
 17 GLN  HG2    37 CYSS H       5.05 
 15 GLN  H      17 GLN  HG2     5.50 
 18 PRO  HB2    21 ASN  H       5.50 
 17 GLN  HG3    37 CYSS H       4.92 
 24 LEU  H      38 MET  HB3     5.50 
  8 PRO  HB2     9 CYSS QB      4.46 
  8 PRO  HB3     9 CYSS QB      5.34 
  8 PRO  HB3    12 VAL  QQG     4.58 
  8 PRO  HB3    27 ARG  QD      3.66 
  8 PRO  HG2     9 CYSS QB      3.49 
  8 PRO  HG2    12 VAL  QQG     5.44 
  8 PRO  HG2    27 ARG  QD      5.34 
  8 PRO  HD3    27 ARG  QD      5.34 
  9 CYSS QB     10 GLU  HB2     4.55 
  9 CYSS QB     29 ALA  HA      5.34 
  9 CYSS QB     29 ALA  QB      3.02 
  9 CYSS QB     30 CYSS HA      5.13 
 10 GLU  HA     10 GLU  QG      3.13 
 10 GLU  QG     11 ASP  H       4.41 
 11 ASP  H      11 ASP  QB      3.02 
 11 ASP  H      12 VAL  QQG     4.64 
 11 ASP  QB     12 VAL  HA      4.21 
 11 ASP  QB     12 VAL  HB      5.00 
 11 ASP  HB2    12 VAL  QG1     3.52 
 11 ASP  HB3    12 VAL  QG1     3.52 
 12 VAL  H      12 VAL  QQG     3.20 
 12 VAL  HA     12 VAL  QQG     2.83 
 12 VAL  HA     13 ASN  QD2     3.58 
 12 VAL  HB     13 ASN  QD2     5.34 
 12 VAL  QQG    13 ASN  H       4.17 
 13 ASN  H      13 ASN  QB      3.52 
 13 ASN  H      13 ASN  QD2     4.27 
 13 ASN  QB     14 GLY  HA2     4.88 
 14 GLY  HA2    15 GLN  QB      5.34 
 14 GLY  HA2    39 PRO  QB      5.34 
 15 GLN  H      15 GLN  QB      3.08 
 15 GLN  H      15 GLN  QG      3.81 
 15 GLN  H      37 CYSS QB      4.79 
 15 GLN  H      38 MET  QG      5.34 
 15 GLN  H      39 PRO  QB      5.34 
 15 GLN  HA     15 GLN  QG      3.00 
 15 GLN  QB     16 CYSS H       3.34 
 15 GLN  QB     17 GLN  HG3     5.34 
 15 GLN  QB     37 CYSS H       4.33 
 15 GLN  QB     39 PRO  HA      5.34 
 15 GLN  QB     39 PRO  HD3     5.34 
 15 GLN  QG     39 PRO  HD3     4.72 
 17 GLN  H      17 GLN  QB      3.39 
 17 GLN  H      35 ARG  QB      5.08 
 17 GLN  H      35 ARG  QD      5.34 
 17 GLN  H      37 CYSS QB      5.34 
 17 GLN  HA     37 CYSS QB      5.34 
 17 GLN  QB     18 PRO  HD2     3.27 
 17 GLN  QB     18 PRO  HD3     3.63 
 17 GLN  QB     21 ASN  HD21    4.13 
 17 GLN  QB     21 ASN  HD22    4.14 
 17 GLN  QB     35 ARG  H       4.59 
 17 GLN  HG2    17 GLN  QE2     3.59 
 17 GLN  HG2    37 CYSS QB      3.55 
 17 GLN  HG3    37 CYSS QB      3.11 
 18 PRO  HB3    19 ARG  QD      5.34 
 19 ARG  H      19 ARG  QB      2.91 
 19 ARG  H      19 ARG  QG      3.31 
 19 ARG  H      19 ARG  QD      4.09 
 19 ARG  HA     19 ARG  QG      3.42 
 19 ARG  HA     19 ARG  QD      4.37 
 19 ARG  HA     35 ARG  QB      5.34 
 19 ARG  HA     35 ARG  QD      4.01 
 19 ARG  QG     20 GLY  H       4.61 
 21 ASN  HA     22 PRO  QB      5.23 
 21 ASN  QB     21 ASN  HD22    3.54 
 21 ASN  QB     22 PRO  HD2     2.93 
 21 ASN  QB     22 PRO  HD3     3.56 
 21 ASN  QB     23 CYSS H       5.34 
 22 PRO  QB     23 CYSS H       3.72 
 23 CYSS H      23 CYSS QB      3.16 
 23 CYSS QB     24 LEU  H       3.72 
 23 CYSS QB     37 CYSS HA      5.34 
 23 CYSS QB     38 MET  H       4.98 
 24 LEU  H      37 CYSS QB      4.33 
 24 LEU  HA     25 ARG  QB      4.29 
 24 LEU  HB3    24 LEU  QQD     2.44 
 24 LEU  HB3    38 MET  QG      4.60 
 24 LEU  QQD    25 ARG  H       3.94 
 24 LEU  QQD    25 ARG  HA      4.71 
 24 LEU  QQD    37 CYSS HA      5.44 
 24 LEU  QQD    38 MET  H       4.40 
 24 LEU  QQD    38 MET  HB2     4.40 
 24 LEU  QQD    38 MET  HB3     3.85 
 24 LEU  QQD    38 MET  QG      2.74 
 25 ARG  H      25 ARG  QB      2.90 
 25 ARG  H      25 ARG  QG      4.31 
 25 ARG  H      25 ARG  QD      4.08 
 25 ARG  HA     25 ARG  QB      2.62 
 25 ARG  HA     25 ARG  QG      3.43 
 25 ARG  HA     25 ARG  QD      3.94 
 25 ARG  QB     25 ARG  HE      3.49 
 25 ARG  QB     26 LEU  H       4.25 
 25 ARG  QB     26 LEU  HB2     5.34 
 25 ARG  QB     37 CYSS HA      5.22 
 25 ARG  QG     26 LEU  H       3.83 
 25 ARG  QG     26 LEU  HB2     5.34 
 25 ARG  QG     38 MET  H       5.34 
 25 ARG  QD     37 CYSS HA      5.34 
 25 ARG  QD     38 MET  H       5.34 
 26 LEU  HG     38 MET  QG      3.86 
 26 LEU  QD1    38 MET  QG      3.61 
 26 LEU  QD2    38 MET  QG      3.67 
 27 ARG  H      27 ARG  QG      4.23 
 27 ARG  H      27 ARG  QD      3.43 
 27 ARG  HA     27 ARG  QG      2.85 
 27 ARG  HA     27 ARG  QD      3.63 
 27 ARG  HB2    27 ARG  QD      2.59 
 27 ARG  HB3    27 ARG  QD      3.39 
 27 ARG  QG     29 ALA  QB      5.34 
 31 PRO  HA     32 ARG  QD      4.65 
 31 PRO  HB2    32 ARG  QD      5.34 
 31 PRO  HB3    32 ARG  QD      4.18 
 32 ARG  H      32 ARG  QB      3.26 
 32 ARG  H      32 ARG  QG      3.64 
 32 ARG  H      32 ARG  QD      3.76 
 32 ARG  HA     32 ARG  QB      2.62 
 32 ARG  HA     32 ARG  QG      3.50 
 32 ARG  HA     32 ARG  QD      4.24 
 32 ARG  HA     33 GLY  QA      4.23 
 32 ARG  QG     33 GLY  H       4.18 
 32 ARG  QD     33 GLY  H       5.33 
 34 SER  QB     35 ARG  QB      5.34 
 35 ARG  H      35 ARG  QB      3.21 
 35 ARG  H      35 ARG  QD      4.49 
 35 ARG  QB     35 ARG  HE      3.42 
 35 ARG  QB     36 CYSS H       4.27 
 37 CYSS H      37 CYSS QB      3.15 
 37 CYSS QB     38 MET  H       3.68 
 38 MET  HA     38 MET  QG      3.23 
 38 MET  QG     39 PRO  HD2     3.43 
 38 MET  QG     39 PRO  HD3     4.34 
 39 PRO  QB     40 THR  H       3.41 
 39 PRO  HG2    41 VAL  QG1     3.55 
 39 PRO  HG3    41 VAL  QG1     3.55 
 40 THR  HA     41 VAL  QQG     4.34 
 41 VAL  H      41 VAL  QQG     3.80 
 41 VAL  QQG    42 ALA  H       4.29 
  9 CYSS SG     36 CYSS SG      2.10 
  9 CYSS SG     36 CYSS CB      3.10 
  9 CYSS CB     36 CYSS SG      3.10 
 16 CYSS SG     30 CYSS SG      2.10 
 16 CYSS SG     30 CYSS CB      3.10 
 16 CYSS CB     30 CYSS SG      3.10 
 23 CYSS SG     37 CYSS SG      2.10 
 23 CYSS SG     37 CYSS CB      3.10 
 23 CYSS CB     37 CYSS SG      3.10 
 15 GLN  O      37 CYSS H       2.20 
 15 GLN  O      37 CYSS N       3.20 
 15 GLN  H      37 CYSS O       2.20 
 15 GLN  N      37 CYSS O       3.20 
 17 GLN  H      35 ARG  O       2.20 
 17 GLN  N      35 ARG  O       3.20 
 17 GLN  O      35 ARG  H       2.20 
 17 GLN  O      35 ARG  N       3.20 
 26 LEU  H      36 CYSS O       2.20 
 26 LEU  N      36 CYSS O       3.20 
 27 ARG  O      36 CYSS H       2.20 
 27 ARG  O      36 CYSS N       3.20 
 24 LEU  O      38 MET  H       2.20 
 24 LEU  O      38 MET  N       3.20 
 24 LEU  H      38 MET  O       2.20 
 24 LEU  N      38 MET  O       3.20 
 31 PRO  O      34 SER  H       2.20 
 31 PRO  O      34 SER  N       3.20 
 10 GLU  O      13 ASN  H       2.20 
 10 GLU  O      13 ASN  N       3.20 
  8 PRO  O      12 VAL  H       2.20 
  8 PRO  O      12 VAL  N       3.20 
  7 PRO  O      11 ASP  H       2.20 
  7 PRO  O      11 ASP  N       3.20 
  9 CYSS SG     36 CYSS SG      2.00 
  9 CYSS SG     36 CYSS CB      3.00 
  9 CYSS CB     36 CYSS SG      3.00 
 16 CYSS SG     30 CYSS SG      2.00 
 16 CYSS SG     30 CYSS CB      3.00 
 16 CYSS CB     30 CYSS SG      3.00 
 23 CYSS SG     37 CYSS SG      2.00 
 23 CYSS SG     37 CYSS CB      3.00 
 23 CYSS CB     37 CYSS SG      3.00 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1           H1       ARG   1  -9.424  10.460   4.078
    2    HA   ARG   1           HA       ARG   1  -9.970  11.456   1.435
    3    HB3  ARG   1           HB3      ARG   1  -8.571  13.424   2.278
    4    HG3  ARG   1           HG3      ARG   1 -10.748  12.900   4.240
    5    HD3  ARG   1           HD3      ARG   1  -9.787  15.228   2.602
    6    HE   ARG   1           HE       ARG   1 -11.963  15.922   2.654
    7   HH11  ARG   1          HH11      ARG   1 -11.205  14.353   5.668
    8   HH12  ARG   1          HH12      ARG   1 -12.709  14.775   6.416
    9   HH21  ARG   1          HH22      ARG   1 -13.948  16.483   3.628
   10   HH22  ARG   1          HH21      ARG   1 -14.270  15.985   5.254
   11    H    ARG   2           H        ARG   2  -7.253  10.056   3.123
   12    HA   ARG   2           HA       ARG   2  -5.233  10.844   1.300
   13    HB3  ARG   2           HB3      ARG   2  -4.573  10.127   3.479
   14    HG3  ARG   2           HG3      ARG   2  -4.897   7.342   3.497
   15    HD3  ARG   2           HD3      ARG   2  -6.014   9.640   5.060
   16    HE   ARG   2           HE       ARG   2  -7.637   8.210   5.793
   17   HH11  ARG   2          HH11      ARG   2  -4.677   6.431   5.369
   18   HH12  ARG   2          HH12      ARG   2  -5.299   4.973   6.067
   19   HH21  ARG   2          HH22      ARG   2  -8.470   6.297   6.715
   20   HH22  ARG   2          HH21      ARG   2  -7.457   4.897   6.832
   21    H    ARG   3           H        ARG   3  -5.228  10.319  -0.783
   22    HA   ARG   3           HA       ARG   3  -5.010   7.688  -1.704
   23    HB3  ARG   3           HB3      ARG   3  -7.575   8.688  -2.771
   24    HG3  ARG   3           HG3      ARG   3  -8.155   6.224  -2.182
   25    HD3  ARG   3           HD3      ARG   3  -6.148   6.009  -4.239
   26    HE   ARG   3           HE       ARG   3  -8.014   4.792  -4.794
   27   HH11  ARG   3          HH11      ARG   3  -8.919   8.092  -4.156
   28   HH12  ARG   3          HH12      ARG   3 -10.538   7.900  -4.741
   29   HH21  ARG   3          HH22      ARG   3 -10.144   4.525  -5.567
   30   HH22  ARG   3          HH21      ARG   3 -11.233   5.869  -5.543
   31    H    ARG   4           H        ARG   4  -6.121  10.950  -2.501
   32    HA   ARG   4           HA       ARG   4  -4.774  10.721  -5.108
   33    HB3  ARG   4           HB3      ARG   4  -7.130  11.302  -5.279
   34    HG3  ARG   4           HG3      ARG   4  -6.496  13.766  -3.670
   35    HD3  ARG   4           HD3      ARG   4  -8.738  12.929  -5.383
   36    HE   ARG   4           HE       ARG   4  -9.332  13.301  -2.684
   37   HH11  ARG   4          HH11      ARG   4 -10.259  14.588  -5.784
   38   HH12  ARG   4          HH12      ARG   4 -11.864  15.004  -5.276
   39   HH21  ARG   4          HH22      ARG   4 -11.440  13.847  -2.004
   40   HH22  ARG   4          HH21      ARG   4 -12.534  14.583  -3.127
   41    H    ARG   5           H        ARG   5  -4.923  12.527  -2.123
   42    HA   ARG   5           HA       ARG   5  -3.354  14.736  -2.873
   43    HB3  ARG   5           HB3      ARG   5  -2.777  14.432  -0.224
   44    HG3  ARG   5           HG3      ARG   5  -5.527  15.355  -0.721
   45    HD3  ARG   5           HD3      ARG   5  -4.438  17.431   0.326
   46    HE   ARG   5           HE       ARG   5  -4.199  15.443   2.349
   47   HH11  ARG   5          HH11      ARG   5  -6.475  16.986   0.211
   48   HH12  ARG   5          HH12      ARG   5  -7.838  16.693   1.240
   49   HH21  ARG   5          HH22      ARG   5  -5.986  15.053   3.711
   50   HH22  ARG   5          HH21      ARG   5  -7.559  15.595   3.231
   51    H    ARG   6           H        ARG   6  -2.272  12.123  -0.706
   52    HA   ARG   6           HA       ARG   6   0.008  11.424  -2.207
   53    HB3  ARG   6           HB3      ARG   6   0.559  13.259   0.132
   54    HG3  ARG   6           HG3      ARG   6   2.226  11.357  -0.552
   55    HD3  ARG   6           HD3      ARG   6   2.122  12.956  -2.917
   56    HE   ARG   6           HE       ARG   6   4.463  13.493  -1.380
   57   HH11  ARG   6          HH11      ARG   6   3.311  12.891  -4.611
   58   HH12  ARG   6          HH12      ARG   6   4.607  13.751  -5.373
   59   HH21  ARG   6          HH22      ARG   6   6.174  14.629  -2.372
   60   HH22  ARG   6          HH21      ARG   6   6.236  14.738  -4.098
   61    HA   PRO   7           HA       PRO   7  -1.294   8.628   1.268
   62    HB3  PRO   7           HB3      PRO   7  -2.856   7.584  -0.055
   63    HG3  PRO   7           HG3      PRO   7  -2.686   7.629  -2.373
   64    HD3  PRO   7           HD3      PRO   7  -2.433   9.873  -1.914
   65    HA   PRO   8           HA       PRO   8   2.606   6.699   1.896
   66    HB3  PRO   8           HB3      PRO   8   1.761   5.787   3.828
   67    HG3  PRO   8           HG3      PRO   8  -0.420   4.987   3.924
   68    HD3  PRO   8           HD3      PRO   8  -0.801   7.068   3.007
   69    H    CYS   9           H        CYS   9   0.319   4.336   0.506
   70    HA   CYS   9           HA       CYS   9   2.178   2.616  -0.631
   71    HB3  CYS   9           HB3      CYS   9  -0.293   3.090  -2.193
   72    H    GLU  10           H        GLU  10   1.151   5.762  -1.648
   73    HA   GLU  10           HA       GLU  10   2.140   5.498  -4.343
   74    HB3  GLU  10           HB3      GLU  10   1.260   7.927  -2.773
   75    HG3  GLU  10           HG3      GLU  10   2.108   7.614  -5.616
   76    H    ASP  11           H        ASP  11   3.132   7.359  -1.470
   77    HA   ASP  11           HA       ASP  11   5.435   8.507  -2.454
   78    HB3  ASP  11           HB3      ASP  11   6.047   7.771   0.190
   79    H    VAL  12           H        VAL  12   5.168   5.374  -0.777
   80    HA   VAL  12           HA       VAL  12   7.908   4.707  -1.435
   81    HB   VAL  12           HB       VAL  12   7.568   2.679  -0.188
   82   HG11  VAL  12          HG11      VAL  12   6.343   5.113   1.089
   83   HG12  VAL  12          HG12      VAL  12   6.713   3.638   1.984
   84   HG13  VAL  12          HG13      VAL  12   8.008   4.545   1.204
   85   HG21  VAL  12          HG21      VAL  12   5.585   1.671  -0.412
   86   HG22  VAL  12          HG22      VAL  12   5.023   2.749   0.866
   87   HG23  VAL  12          HG23      VAL  12   4.772   3.179  -0.826
   88    H    ASN  13           H        ASN  13   4.948   4.502  -2.991
   89    HA   ASN  13           HA       ASN  13   4.162   3.369  -4.803
   90    HB3  ASN  13           HB3      ASN  13   5.771   2.927  -6.569
   91   HD21  ASN  13          HD22      ASN  13   7.953   4.910  -4.847
   92   HD22  ASN  13          HD21      ASN  13   7.436   6.429  -5.486
   93    H    GLY  14           H        GLY  14   3.366   1.686  -3.352
   94    HA2  GLY  14           HA2      GLY  14   4.919  -0.817  -3.508
   95    HA3  GLY  14           HA3      GLY  14   3.692  -0.468  -2.299
   96    H    GLN  15           H        GLN  15   3.205  -2.758  -3.235
   97    HA   GLN  15           HA       GLN  15   1.483  -2.530  -5.601
   98    HB3  GLN  15           HB3      GLN  15   1.623  -5.220  -4.796
   99    HG3  GLN  15           HG3      GLN  15   3.381  -5.254  -6.754
  100   HE21  GLN  15          HE22      GLN  15   2.498  -6.420  -8.321
  101   HE22  GLN  15          HE21      GLN  15   0.812  -6.490  -8.692
  102    H    CYS  16           H        CYS  16  -0.530  -3.899  -5.540
  103    HA   CYS  16           HA       CYS  16  -1.793  -3.704  -2.883
  104    HB3  CYS  16           HB3      CYS  16  -3.933  -3.316  -4.103
  105    H    GLN  17           H        GLN  17  -2.047  -5.674  -2.067
  106    HA   GLN  17           HA       GLN  17  -3.483  -7.680  -3.558
  107    HB3  GLN  17           HB3      GLN  17  -1.658  -8.747  -4.306
  108    HG3  GLN  17           HG3      GLN  17   0.053  -7.360  -2.256
  109   HE21  GLN  17          HE22      GLN  17   1.014  -9.526  -2.040
  110   HE22  GLN  17          HE21      GLN  17   2.184 -10.022  -3.209
  111    HA   PRO  18           HA       PRO  18  -4.926  -8.889   0.401
  112    HB3  PRO  18           HB3      PRO  18  -6.229 -10.468  -0.644
  113    HG3  PRO  18           HG3      PRO  18  -5.425 -11.670  -2.465
  114    HD3  PRO  18           HD3      PRO  18  -4.906  -9.528  -3.143
  115    H    ARG  19           H        ARG  19  -4.542 -10.836   2.093
  116    HA   ARG  19           HA       ARG  19  -1.782 -10.541   2.901
  117    HB3  ARG  19           HB3      ARG  19  -2.460 -11.502   4.991
  118    HG3  ARG  19           HG3      ARG  19  -3.594  -9.208   4.079
  119    HD3  ARG  19           HD3      ARG  19  -5.724 -11.191   4.521
  120    HE   ARG  19           HE       ARG  19  -6.680  -8.652   5.351
  121   HH11  ARG  19          HH11      ARG  19  -5.037 -11.496   6.501
  122   HH12  ARG  19          HH12      ARG  19  -5.576 -11.306   8.137
  123   HH21  ARG  19          HH22      ARG  19  -7.397  -8.389   7.501
  124   HH22  ARG  19          HH21      ARG  19  -6.920  -9.538   8.704
  125    H    GLY  20           H        GLY  20  -3.428 -12.675   0.958
  126    HA2  GLY  20           HA2      GLY  20  -2.078 -15.096   1.782
  127    HA3  GLY  20           HA3      GLY  20  -3.121 -14.905   0.380
  128    H    ASN  21           H        ASN  21  -0.065 -13.389   1.421
  129    HA   ASN  21           HA       ASN  21   1.412 -14.600  -0.715
  130    HB3  ASN  21           HB3      ASN  21   0.675 -13.050  -2.233
  131   HD21  ASN  21          HD22      ASN  21  -1.256 -12.139  -2.238
  132   HD22  ASN  21          HD21      ASN  21  -1.721 -10.755  -1.314
  133    HA   PRO  22           HA       PRO  22   4.794 -13.720   1.940
  134    HB3  PRO  22           HB3      PRO  22   6.092 -14.991   0.535
  135    HG3  PRO  22           HG3      PRO  22   5.788 -14.920  -1.770
  136    HD3  PRO  22           HD3      PRO  22   3.612 -15.261  -1.093
  137    H    CYS  23           H        CYS  23   3.890 -11.439  -0.493
  138    HA   CYS  23           HA       CYS  23   5.698  -9.385  -0.169
  139    HB3  CYS  23           HB3      CYS  23   2.807  -8.671  -0.336
  140    H    LEU  24           H        LEU  24   6.024  -7.754   1.274
  141    HA   LEU  24           HA       LEU  24   5.253  -8.153   3.955
  142    HB3  LEU  24           HB3      LEU  24   6.071  -5.432   3.250
  143    HG   LEU  24           HG       LEU  24   6.346  -6.757   5.525
  144   HD11  LEU  24          HD11      LEU  24   7.759  -8.500   4.424
  145   HD12  LEU  24          HD12      LEU  24   8.504  -7.721   5.819
  146   HD13  LEU  24          HD13      LEU  24   8.996  -7.265   4.189
  147   HD21  LEU  24          HD21      LEU  24   7.611  -4.485   4.294
  148   HD22  LEU  24          HD22      LEU  24   8.709  -5.266   5.431
  149   HD23  LEU  24          HD23      LEU  24   7.121  -4.724   5.972
  150    H    ARG  25           H        ARG  25   4.397  -6.065   5.196
  151    HA   ARG  25           HA       ARG  25   1.903  -5.250   3.852
  152    HB3  ARG  25           HB3      ARG  25   1.498  -5.040   6.616
  153    HG3  ARG  25           HG3      ARG  25   0.128  -6.085   4.521
  154    HD3  ARG  25           HD3      ARG  25   1.412  -8.216   4.769
  155    HE   ARG  25           HE       ARG  25   1.641  -8.909   6.935
  156   HH11  ARG  25          HH11      ARG  25  -1.659  -7.939   6.400
  157   HH12  ARG  25          HH12      ARG  25  -2.210  -8.497   7.945
  158   HH21  ARG  25          HH22      ARG  25   0.928  -9.649   8.970
  159   HH22  ARG  25          HH21      ARG  25  -0.739  -9.468   9.406
  160    H    LEU  26           H        LEU  26   1.320  -3.133   3.934
  161    HA   LEU  26           HA       LEU  26   3.136  -1.309   5.368
  162    HB3  LEU  26           HB3      LEU  26   2.482   0.339   3.531
  163    HG   LEU  26           HG       LEU  26   4.454  -1.785   3.339
  164   HD11  LEU  26          HD11      LEU  26   3.984  -0.504   0.714
  165   HD12  LEU  26          HD12      LEU  26   2.931  -1.846   1.156
  166   HD13  LEU  26          HD13      LEU  26   4.678  -2.077   1.103
  167   HD21  LEU  26          HD21      LEU  26   4.377   1.104   2.478
  168   HD22  LEU  26          HD22      LEU  26   5.817   0.087   2.493
  169   HD23  LEU  26          HD23      LEU  26   4.997   0.475   4.005
  170    H    ARG  27           H        ARG  27   0.060  -0.855   3.643
  171    HA   ARG  27           HA       ARG  27  -1.388  -0.360   6.080
  172    HB3  ARG  27           HB3      ARG  27  -2.034   2.000   5.090
  173    HG3  ARG  27           HG3      ARG  27  -0.446   1.234   7.184
  174    HD3  ARG  27           HD3      ARG  27   1.071   3.421   5.814
  175    HE   ARG  27           HE       ARG  27   1.315   2.412   8.314
  176   HH11  ARG  27          HH11      ARG  27   3.372   2.394   5.505
  177   HH12  ARG  27          HH12      ARG  27   4.843   2.368   6.422
  178   HH21  ARG  27          HH22      ARG  27   3.243   2.376   9.531
  179   HH22  ARG  27          HH21      ARG  27   4.769   2.357   8.712
  180    H    GLY  28           H        GLY  28  -3.622   0.777   5.338
  181    HA2  GLY  28           HA2      GLY  28  -4.645  -1.023   3.268
  182    HA3  GLY  28           HA3      GLY  28  -5.608  -0.150   4.450
  183    H    ALA  29           H        ALA  29  -3.135   1.558   2.748
  184    HA   ALA  29           HA       ALA  29  -4.900   3.501   1.753
  185    HB1  ALA  29           HB1      ALA  29  -2.084   3.068   1.805
  186    HB2  ALA  29           HB2      ALA  29  -2.558   3.539   0.172
  187    HB3  ALA  29           HB3      ALA  29  -2.969   4.570   1.543
  188    H    CYS  30           H        CYS  30  -4.100   0.403   0.575
  189    HA   CYS  30           HA       CYS  30  -4.586   0.916  -2.203
  190    HB3  CYS  30           HB3      CYS  30  -4.903  -1.743  -2.040
  191    HA   PRO  31           HA       PRO  31  -8.949   0.556  -2.473
  192    HB3  PRO  31           HB3      PRO  31  -8.736   0.678  -4.757
  193    HG3  PRO  31           HG3      PRO  31  -6.991  -0.395  -5.858
  194    HD3  PRO  31           HD3      PRO  31  -5.805   0.715  -4.224
  195    H    ARG  32           H        ARG  32 -10.772  -0.837  -2.222
  196    HA   ARG  32           HA       ARG  32 -10.508  -2.888  -0.409
  197    HB3  ARG  32           HB3      ARG  32 -12.634  -1.767  -0.867
  198    HG3  ARG  32           HG3      ARG  32 -13.852  -3.119  -2.892
  199    HD3  ARG  32           HD3      ARG  32 -12.442  -0.536  -3.436
  200    HE   ARG  32           HE       ARG  32 -14.762  -1.798  -4.492
  201   HH11  ARG  32          HH11      ARG  32 -13.394   1.306  -3.705
  202   HH12  ARG  32          HH12      ARG  32 -14.333   2.163  -4.881
  203   HH21  ARG  32          HH22      ARG  32 -16.004  -0.679  -6.044
  204   HH22  ARG  32          HH21      ARG  32 -15.818   1.034  -6.211
  205    H    GLY  33           H        GLY  33 -10.580  -5.154  -0.525
  206    HA2  GLY  33           HA2      GLY  33 -10.538  -7.238  -1.622
  207    HA3  GLY  33           HA3      GLY  33 -10.304  -6.403  -3.151
  208    H    SER  34           H        SER  34  -8.145  -4.759  -1.757
  209    HA   SER  34           HA       SER  34  -6.063  -6.782  -1.433
  210    HB3  SER  34           HB3      SER  34  -5.034  -6.381  -3.384
  211    HG   SER  34           HG       SER  34  -6.404  -4.609  -4.676
  212    H    ARG  35           H        ARG  35  -3.955  -5.743  -0.766
  213    HA   ARG  35           HA       ARG  35  -4.391  -3.244   0.719
  214    HB3  ARG  35           HB3      ARG  35  -3.181  -4.179   2.647
  215    HG3  ARG  35           HG3      ARG  35  -5.743  -5.291   1.749
  216    HD3  ARG  35           HD3      ARG  35  -4.162  -7.199   2.712
  217    HE   ARG  35           HE       ARG  35  -3.686  -6.725   4.898
  218   HH11  ARG  35          HH11      ARG  35  -7.011  -5.917   4.259
  219   HH12  ARG  35          HH12      ARG  35  -7.388  -5.594   5.918
  220   HH21  ARG  35          HH22      ARG  35  -4.170  -6.302   7.087
  221   HH22  ARG  35          HH21      ARG  35  -5.771  -5.812   7.526
  222    H    CYS  36           H        CYS  36  -2.452  -2.077   1.235
  223    HA   CYS  36           HA       CYS  36  -0.560  -2.085  -0.877
  224    HB3  CYS  36           HB3      CYS  36  -0.371  -0.671   1.789
  225    H    CYS  37           H        CYS  37   0.813  -3.744  -1.087
  226    HA   CYS  37           HA       CYS  37   2.169  -4.770   1.307
  227    HB3  CYS  37           HB3      CYS  37   0.892  -6.246  -0.459
  228    H    MET  38           H        MET  38   4.463  -5.254   1.165
  229    HA   MET  38           HA       MET  38   5.865  -3.262  -0.478
  230    HB3  MET  38           HB3      MET  38   7.407  -4.606   1.622
  231    HG3  MET  38           HG3      MET  38   7.735  -2.187   2.328
  232    HE1  MET  38           HE1      MET  38   9.438  -0.345   0.051
  233    HE2  MET  38           HE2      MET  38   9.552  -1.247  -1.461
  234    HE3  MET  38           HE3      MET  38   7.970  -0.860  -0.785
  235    HA   PRO  39           HA       PRO  39   7.340  -6.704  -2.894
  236    HB3  PRO  39           HB3      PRO  39   7.142  -5.313  -4.712
  237    HG3  PRO  39           HG3      PRO  39   7.418  -3.013  -4.499
  238    HD3  PRO  39           HD3      PRO  39   5.923  -3.396  -2.785
  239    H    THR  40           H        THR  40   9.460  -7.603  -3.501
  240    HA   THR  40           HA       THR  40  11.335  -7.322  -1.312
  241    HB   THR  40           HB       THR  40  11.547  -9.147  -3.712
  242    HG1  THR  40           HG1      THR  40   9.786  -9.950  -2.784
  243   HG21  THR  40          HG21      THR  40  12.676  -9.684  -0.995
  244   HG22  THR  40          HG22      THR  40  13.543  -8.629  -2.109
  245   HG23  THR  40          HG23      THR  40  13.196 -10.297  -2.565
  246    H    VAL  41           H        VAL  41  11.779  -5.036  -2.079
  247    HA   VAL  41           HA       VAL  41  13.930  -5.066  -4.097
  248    HB   VAL  41           HB       VAL  41  13.433  -2.706  -4.548
  249   HG11  VAL  41          HG11      VAL  41  12.401  -4.424  -5.935
  250   HG12  VAL  41          HG12      VAL  41  11.031  -4.509  -4.825
  251   HG13  VAL  41          HG13      VAL  41  11.326  -3.036  -5.751
  252   HG21  VAL  41          HG21      VAL  41  10.841  -2.413  -3.497
  253   HG22  VAL  41          HG22      VAL  41  11.860  -2.968  -2.169
  254   HG23  VAL  41          HG23      VAL  41  12.292  -1.510  -3.063
  255    H    ALA  42           H        ALA  42  15.852  -4.094  -3.607
  256    HA   ALA  42           HA       ALA  42  17.546  -3.264  -2.334
  257    HB1  ALA  42           HB1      ALA  42  15.410  -1.514  -1.987
  258    HB2  ALA  42           HB2      ALA  42  16.027  -1.809  -0.362
  259    HB3  ALA  42           HB3      ALA  42  17.107  -1.207  -1.619
  260    H    ALA  43           H        ALA  43  16.161  -5.762  -1.585
  261    HA   ALA  43           HA       ALA  43  16.290  -7.356   0.034
  262    HB1  ALA  43           HB1      ALA  43  18.149  -5.583   1.584
  263    HB2  ALA  43           HB2      ALA  43  18.126  -7.344   1.472
  264    HB3  ALA  43           HB3      ALA  43  18.665  -6.381   0.096
  265    H    HIS  44           H        HIS  44  14.034  -6.673   0.459
  266    HA   HIS  44           HA       HIS  44  13.774  -5.555   3.175
  267    HB3  HIS  44           HB3      HIS  44  11.303  -5.171   2.017
  268    HD1  HIS  44           HD1      HIS  44  11.516  -3.606   4.120
  269    HD2  HIS  44           HD2      HIS  44  13.801  -2.468   0.843
  270    HE1  HIS  44           HE1      HIS  44  12.215  -1.235   4.580
  Start of MODEL    2
    1    H1   ARG   1           H1       ARG   1  -8.258   4.132  -2.351
    2    HA   ARG   1           HA       ARG   1  -8.072   6.750  -1.075
    3    HB3  ARG   1           HB3      ARG   1  -5.689   6.357  -0.490
    4    HG3  ARG   1           HG3      ARG   1  -6.355   4.317   1.196
    5    HD3  ARG   1           HD3      ARG   1  -6.529   7.271   1.269
    6    HE   ARG   1           HE       ARG   1  -8.264   5.760   2.907
    7   HH11  ARG   1          HH11      ARG   1  -5.955   8.361   3.053
    8   HH12  ARG   1          HH12      ARG   1  -6.697   9.115   4.425
    9   HH21  ARG   1          HH22      ARG   1  -9.250   6.743   4.714
   10   HH22  ARG   1          HH21      ARG   1  -8.570   8.195   5.369
   11    H    ARG   2           H        ARG   2  -5.933   7.843  -1.966
   12    HA   ARG   2           HA       ARG   2  -4.984   7.110  -4.514
   13    HB3  ARG   2           HB3      ARG   2  -6.374   9.483  -5.220
   14    HG3  ARG   2           HG3      ARG   2  -7.294   6.818  -6.168
   15    HD3  ARG   2           HD3      ARG   2  -6.641   8.389  -8.312
   16    HE   ARG   2           HE       ARG   2  -9.314   8.823  -7.384
   17   HH11  ARG   2          HH11      ARG   2  -7.113   6.457  -8.679
   18   HH12  ARG   2          HH12      ARG   2  -8.367   5.470  -9.355
   19   HH21  ARG   2          HH22      ARG   2 -10.972   7.535  -8.271
   20   HH22  ARG   2          HH21      ARG   2 -10.562   6.085  -9.124
   21    H    ARG   3           H        ARG   3  -4.137   9.302  -5.660
   22    HA   ARG   3           HA       ARG   3  -2.319  10.425  -3.738
   23    HB3  ARG   3           HB3      ARG   3  -1.276  11.512  -5.624
   24    HG3  ARG   3           HG3      ARG   3  -2.231   8.817  -6.567
   25    HD3  ARG   3           HD3      ARG   3   0.503   9.804  -7.074
   26    HE   ARG   3           HE       ARG   3   0.231   7.994  -8.430
   27   HH11  ARG   3          HH11      ARG   3  -2.681   9.899  -8.526
   28   HH12  ARG   3          HH12      ARG   3  -3.433   8.926  -9.747
   29   HH21  ARG   3          HH22      ARG   3  -0.747   6.705 -10.036
   30   HH22  ARG   3          HH21      ARG   3  -2.332   7.108 -10.604
   31    H    ARG   4           H        ARG   4  -4.473  11.246  -2.640
   32    HA   ARG   4           HA       ARG   4  -5.218  13.876  -3.691
   33    HB3  ARG   4           HB3      ARG   4  -7.020  13.804  -2.005
   34    HG3  ARG   4           HG3      ARG   4  -7.788  11.288  -2.872
   35    HD3  ARG   4           HD3      ARG   4  -9.102  13.369  -2.950
   36    HE   ARG   4           HE       ARG   4  -7.094  14.492  -4.386
   37   HH11  ARG   4          HH11      ARG   4 -10.468  13.896  -5.008
   38   HH12  ARG   4          HH12      ARG   4 -10.653  15.268  -6.048
   39   HH21  ARG   4          HH22      ARG   4  -7.326  16.302  -5.754
   40   HH22  ARG   4          HH21      ARG   4  -8.865  16.636  -6.472
   41    H    ARG   5           H        ARG   5  -3.645  12.322  -0.976
   42    HA   ARG   5           HA       ARG   5  -2.725  14.955  -0.071
   43    HB3  ARG   5           HB3      ARG   5  -3.113  14.426   2.241
   44    HG3  ARG   5           HG3      ARG   5  -5.684  13.489   1.072
   45    HD3  ARG   5           HD3      ARG   5  -6.102  15.706   2.641
   46    HE   ARG   5           HE       ARG   5  -6.881  13.119   2.794
   47   HH11  ARG   5          HH11      ARG   5  -5.666  15.399   5.127
   48   HH12  ARG   5          HH12      ARG   5  -6.537  14.704   6.454
   49   HH21  ARG   5          HH22      ARG   5  -8.033  12.195   4.532
   50   HH22  ARG   5          HH21      ARG   5  -7.882  12.881   6.115
   51    H    ARG   6           H        ARG   6  -1.504  12.784  -1.629
   52    HA   ARG   6           HA       ARG   6   0.475  11.675  -1.794
   53    HB3  ARG   6           HB3      ARG   6   2.239  12.509  -0.016
   54    HG3  ARG   6           HG3      ARG   6   1.502  14.826  -1.623
   55    HD3  ARG   6           HD3      ARG   6   3.862  13.098  -2.144
   56    HE   ARG   6           HE       ARG   6   4.238  15.892  -1.683
   57   HH11  ARG   6          HH11      ARG   6   3.144  13.544  -4.008
   58   HH12  ARG   6          HH12      ARG   6   3.479  14.552  -5.378
   59   HH21  ARG   6          HH22      ARG   6   4.684  17.228  -3.477
   60   HH22  ARG   6          HH21      ARG   6   4.356  16.647  -5.074
   61    HA   PRO   7           HA       PRO   7  -0.792   8.847   1.674
   62    HB3  PRO   7           HB3      PRO   7  -2.505   7.953   0.430
   63    HG3  PRO   7           HG3      PRO   7  -2.491   8.070  -1.893
   64    HD3  PRO   7           HD3      PRO   7  -2.056  10.276  -1.381
   65    HA   PRO   8           HA       PRO   8   3.001   6.641   1.966
   66    HB3  PRO   8           HB3      PRO   8   2.228   5.716   3.922
   67    HG3  PRO   8           HG3      PRO   8   0.008   5.059   4.144
   68    HD3  PRO   8           HD3      PRO   8  -0.289   7.193   3.323
   69    H    CYS   9           H        CYS   9   0.470   4.485   0.665
   70    HA   CYS   9           HA       CYS   9   2.128   2.692  -0.654
   71    HB3  CYS   9           HB3      CYS   9  -0.378   3.337  -2.064
   72    H    GLU  10           H        GLU  10   1.248   5.931  -1.495
   73    HA   GLU  10           HA       GLU  10   2.017   5.707  -4.262
   74    HB3  GLU  10           HB3      GLU  10   1.438   8.120  -2.537
   75    HG3  GLU  10           HG3      GLU  10   2.757   8.902  -4.357
   76    H    ASP  11           H        ASP  11   3.331   7.546  -1.500
   77    HA   ASP  11           HA       ASP  11   5.670   8.426  -2.663
   78    HB3  ASP  11           HB3      ASP  11   6.358   7.801  -0.012
   79    H    VAL  12           H        VAL  12   5.278   5.469  -0.706
   80    HA   VAL  12           HA       VAL  12   7.900   4.514  -1.361
   81    HB   VAL  12           HB       VAL  12   7.340   2.535  -0.124
   82   HG11  VAL  12          HG11      VAL  12   7.855   4.379   1.280
   83   HG12  VAL  12          HG12      VAL  12   6.234   5.053   1.101
   84   HG13  VAL  12          HG13      VAL  12   6.473   3.557   2.004
   85   HG21  VAL  12          HG21      VAL  12   4.628   3.241  -0.903
   86   HG22  VAL  12          HG22      VAL  12   5.302   1.681  -0.435
   87   HG23  VAL  12          HG23      VAL  12   4.756   2.814   0.802
   88    H    ASN  13           H        ASN  13   4.893   4.455  -2.933
   89    HA   ASN  13           HA       ASN  13   4.068   3.351  -4.747
   90    HB3  ASN  13           HB3      ASN  13   5.741   2.816  -6.512
   91   HD21  ASN  13          HD22      ASN  13   7.637   5.187  -4.964
   92   HD22  ASN  13          HD21      ASN  13   6.942   6.573  -5.725
   93    H    GLY  14           H        GLY  14   3.451   1.668  -3.086
   94    HA2  GLY  14           HA2      GLY  14   4.972  -0.821  -3.320
   95    HA3  GLY  14           HA3      GLY  14   3.663  -0.509  -2.190
   96    H    GLN  15           H        GLN  15   3.199  -2.773  -3.095
   97    HA   GLN  15           HA       GLN  15   1.545  -2.524  -5.520
   98    HB3  GLN  15           HB3      GLN  15   1.930  -4.843  -5.972
   99    HG3  GLN  15           HG3      GLN  15   4.415  -5.042  -6.020
  100   HE21  GLN  15          HE22      GLN  15   5.769  -3.550  -7.442
  101   HE22  GLN  15          HE21      GLN  15   4.911  -2.684  -8.665
  102    H    CYS  16           H        CYS  16  -0.578  -2.881  -5.359
  103    HA   CYS  16           HA       CYS  16  -1.734  -3.357  -2.774
  104    HB3  CYS  16           HB3      CYS  16  -3.906  -3.222  -4.072
  105    H    GLN  17           H        GLN  17  -1.161  -5.446  -2.181
  106    HA   GLN  17           HA       GLN  17  -2.323  -7.602  -3.818
  107    HB3  GLN  17           HB3      GLN  17  -0.607  -9.025  -3.205
  108    HG3  GLN  17           HG3      GLN  17   1.025  -6.567  -2.799
  109   HE21  GLN  17          HE22      GLN  17   2.253  -7.079  -5.374
  110   HE22  GLN  17          HE21      GLN  17   3.221  -8.496  -5.180
  111    HA   PRO  18           HA       PRO  18  -5.084  -8.674  -0.582
  112    HB3  PRO  18           HB3      PRO  18  -5.923 -10.290  -1.983
  113    HG3  PRO  18           HG3      PRO  18  -4.523 -11.500  -3.391
  114    HD3  PRO  18           HD3      PRO  18  -3.829  -9.359  -3.888
  115    H    ARG  19           H        ARG  19  -5.292 -10.570   1.183
  116    HA   ARG  19           HA       ARG  19  -2.861 -10.340   2.783
  117    HB3  ARG  19           HB3      ARG  19  -4.864  -9.663   3.912
  118    HG3  ARG  19           HG3      ARG  19  -6.336 -12.013   4.300
  119    HD3  ARG  19           HD3      ARG  19  -6.774  -9.399   2.924
  120    HE   ARG  19           HE       ARG  19  -8.237 -11.526   2.091
  121   HH11  ARG  19          HH11      ARG  19  -8.953  -8.698   3.992
  122   HH12  ARG  19          HH12      ARG  19 -10.606  -8.614   3.482
  123   HH21  ARG  19          HH22      ARG  19 -10.412 -11.425   1.412
  124   HH22  ARG  19          HH21      ARG  19 -11.436 -10.166   2.016
  125    H    GLY  20           H        GLY  20  -2.310 -12.032   0.821
  126    HA2  GLY  20           HA2      GLY  20  -1.986 -14.549   2.223
  127    HA3  GLY  20           HA3      GLY  20  -2.958 -14.641   0.762
  128    H    ASN  21           H        ASN  21  -0.180 -12.531   1.249
  129    HA   ASN  21           HA       ASN  21   1.319 -14.154  -0.699
  130    HB3  ASN  21           HB3      ASN  21   1.034 -12.416  -2.112
  131   HD21  ASN  21          HD22      ASN  21  -0.835 -11.418  -2.336
  132   HD22  ASN  21          HD21      ASN  21  -1.422 -10.135  -1.339
  133    HA   PRO  22           HA       PRO  22   4.627 -14.109   2.193
  134    HB3  PRO  22           HB3      PRO  22   5.616 -15.713   0.877
  135    HG3  PRO  22           HG3      PRO  22   5.417 -15.653  -1.440
  136    HD3  PRO  22           HD3      PRO  22   3.202 -15.417  -0.844
  137    H    CYS  23           H        CYS  23   4.188 -11.674  -0.129
  138    HA   CYS  23           HA       CYS  23   6.516 -10.139   0.160
  139    HB3  CYS  23           HB3      CYS  23   4.625  -9.843  -1.532
  140    H    LEU  24           H        LEU  24   5.800  -7.637   0.995
  141    HA   LEU  24           HA       LEU  24   5.446  -8.055   3.884
  142    HB3  LEU  24           HB3      LEU  24   6.668  -5.695   2.458
  143    HG   LEU  24           HG       LEU  24   6.216  -6.236   5.305
  144   HD11  LEU  24          HD11      LEU  24   8.293  -5.709   6.148
  145   HD12  LEU  24          HD12      LEU  24   8.850  -5.003   4.631
  146   HD13  LEU  24          HD13      LEU  24   8.713  -6.754   4.790
  147   HD21  LEU  24          HD21      LEU  24   5.370  -4.266   4.091
  148   HD22  LEU  24          HD22      LEU  24   7.032  -3.759   3.789
  149   HD23  LEU  24          HD23      LEU  24   6.417  -3.828   5.440
  150    H    ARG  25           H        ARG  25   4.295  -6.395   5.093
  151    HA   ARG  25           HA       ARG  25   2.062  -5.296   3.525
  152    HB3  ARG  25           HB3      ARG  25   1.306  -5.135   6.171
  153    HG3  ARG  25           HG3      ARG  25   0.092  -6.114   4.122
  154    HD3  ARG  25           HD3      ARG  25   1.945  -8.100   4.366
  155    HE   ARG  25           HE       ARG  25   0.255  -8.814   6.353
  156   HH11  ARG  25          HH11      ARG  25   0.934 -10.136   3.204
  157   HH12  ARG  25          HH12      ARG  25   0.577 -11.766   3.668
  158   HH21  ARG  25          HH22      ARG  25  -0.217 -10.957   6.975
  159   HH22  ARG  25          HH21      ARG  25  -0.078 -12.231   5.813
  160    H    LEU  26           H        LEU  26   1.571  -3.161   3.597
  161    HA   LEU  26           HA       LEU  26   3.397  -1.443   5.141
  162    HB3  LEU  26           HB3      LEU  26   2.295   0.232   3.329
  163    HG   LEU  26           HG       LEU  26   4.820  -1.275   3.331
  164   HD11  LEU  26          HD11      LEU  26   5.323  -0.337   1.007
  165   HD12  LEU  26          HD12      LEU  26   3.574  -0.263   0.797
  166   HD13  LEU  26          HD13      LEU  26   4.361  -1.811   1.103
  167   HD21  LEU  26          HD21      LEU  26   3.858   1.530   3.212
  168   HD22  LEU  26          HD22      LEU  26   5.445   1.176   2.531
  169   HD23  LEU  26          HD23      LEU  26   5.107   0.800   4.220
  170    H    ARG  27           H        ARG  27   0.216  -0.910   3.637
  171    HA   ARG  27           HA       ARG  27  -1.064  -0.512   6.183
  172    HB3  ARG  27           HB3      ARG  27  -1.773   1.882   5.335
  173    HG3  ARG  27           HG3      ARG  27  -0.042   1.037   7.278
  174    HD3  ARG  27           HD3      ARG  27   1.374   3.294   5.923
  175    HE   ARG  27           HE       ARG  27   1.856   1.785   8.259
  176   HH11  ARG  27          HH11      ARG  27   3.508   3.201   5.541
  177   HH12  ARG  27          HH12      ARG  27   5.003   3.408   6.391
  178   HH21  ARG  27          HH22      ARG  27   3.818   2.054   9.390
  179   HH22  ARG  27          HH21      ARG  27   5.179   2.755   8.581
  180    H    GLY  28           H        GLY  28  -3.316   0.773   5.546
  181    HA2  GLY  28           HA2      GLY  28  -4.559  -1.066   3.661
  182    HA3  GLY  28           HA3      GLY  28  -5.393   0.022   4.761
  183    H    ALA  29           H        ALA  29  -2.831   1.292   2.826
  184    HA   ALA  29           HA       ALA  29  -4.629   3.117   1.534
  185    HB1  ALA  29           HB1      ALA  29  -2.370   3.690   0.305
  186    HB2  ALA  29           HB2      ALA  29  -2.650   4.169   1.979
  187    HB3  ALA  29           HB3      ALA  29  -1.680   2.740   1.622
  188    H    CYS  30           H        CYS  30  -5.694   0.955   0.660
  189    HA   CYS  30           HA       CYS  30  -5.067   0.900  -2.162
  190    HB3  CYS  30           HB3      CYS  30  -5.210  -1.758  -1.915
  191    HA   PRO  31           HA       PRO  31  -9.381   0.246  -2.613
  192    HB3  PRO  31           HB3      PRO  31  -9.067   0.297  -4.889
  193    HG3  PRO  31           HG3      PRO  31  -7.206  -0.697  -5.866
  194    HD3  PRO  31           HD3      PRO  31  -6.175   0.549  -4.224
  195    H    ARG  32           H        ARG  32 -11.116  -1.237  -2.351
  196    HA   ARG  32           HA       ARG  32 -10.782  -3.219  -0.470
  197    HB3  ARG  32           HB3      ARG  32 -13.034  -3.891  -0.920
  198    HG3  ARG  32           HG3      ARG  32 -12.437  -1.268  -0.478
  199    HD3  ARG  32           HD3      ARG  32 -12.913  -1.025  -3.026
  200    HE   ARG  32           HE       ARG  32 -15.364  -2.048  -2.374
  201   HH11  ARG  32          HH11      ARG  32 -14.203   0.958  -3.691
  202   HH12  ARG  32          HH12      ARG  32 -15.638   1.260  -4.613
  203   HH21  ARG  32          HH22      ARG  32 -17.259  -1.663  -3.583
  204   HH22  ARG  32          HH21      ARG  32 -17.376  -0.232  -4.550
  205    H    GLY  33           H        GLY  33 -10.663  -5.469  -0.507
  206    HA2  GLY  33           HA2      GLY  33 -10.449  -7.586  -1.502
  207    HA3  GLY  33           HA3      GLY  33 -10.348  -6.813  -3.075
  208    H    SER  34           H        SER  34  -8.299  -4.958  -1.608
  209    HA   SER  34           HA       SER  34  -6.036  -6.782  -1.413
  210    HB3  SER  34           HB3      SER  34  -5.834  -6.371  -3.715
  211    HG   SER  34           HG       SER  34  -6.362  -3.622  -3.250
  212    H    ARG  35           H        ARG  35  -4.018  -5.582  -0.771
  213    HA   ARG  35           HA       ARG  35  -4.582  -3.095   0.674
  214    HB3  ARG  35           HB3      ARG  35  -4.843  -4.995   2.253
  215    HG3  ARG  35           HG3      ARG  35  -2.253  -5.694   2.884
  216    HD3  ARG  35           HD3      ARG  35  -2.899  -7.928   2.185
  217    HE   ARG  35           HE       ARG  35  -5.465  -7.167   3.142
  218   HH11  ARG  35          HH11      ARG  35  -2.096  -7.275   4.013
  219   HH12  ARG  35          HH12      ARG  35  -2.406  -7.375   5.715
  220   HH21  ARG  35          HH22      ARG  35  -5.885  -7.301   5.379
  221   HH22  ARG  35          HH21      ARG  35  -4.561  -7.391   6.491
  222    H    CYS  36           H        CYS  36  -2.647  -1.916   1.296
  223    HA   CYS  36           HA       CYS  36  -0.725  -1.853  -0.781
  224    HB3  CYS  36           HB3      CYS  36  -0.544  -0.534   1.934
  225    H    CYS  37           H        CYS  37   0.673  -3.482  -1.035
  226    HA   CYS  37           HA       CYS  37   2.116  -4.454   1.344
  227    HB3  CYS  37           HB3      CYS  37   0.896  -5.842  -0.921
  228    H    MET  38           H        MET  38   4.326  -4.534   1.319
  229    HA   MET  38           HA       MET  38   5.636  -2.904  -0.682
  230    HB3  MET  38           HB3      MET  38   7.436  -4.145   1.210
  231    HG3  MET  38           HG3      MET  38   7.027  -1.458   1.889
  232    HE1  MET  38           HE1      MET  38   9.974  -2.137   3.095
  233    HE2  MET  38           HE2      MET  38  10.314  -0.616   2.267
  234    HE3  MET  38           HE3      MET  38   8.702  -0.926   2.914
  235    HA   PRO  39           HA       PRO  39   7.114  -6.220  -3.175
  236    HB3  PRO  39           HB3      PRO  39   7.584  -4.620  -4.756
  237    HG3  PRO  39           HG3      PRO  39   8.310  -2.500  -4.137
  238    HD3  PRO  39           HD3      PRO  39   6.464  -2.699  -2.774
  239    H    THR  40           H        THR  40   9.406  -7.169  -3.781
  240    HA   THR  40           HA       THR  40  10.832  -7.586  -1.239
  241    HB   THR  40           HB       THR  40  10.993  -9.487  -3.557
  242    HG1  THR  40           HG1      THR  40   9.188 -10.557  -2.758
  243   HG21  THR  40          HG21      THR  40  12.164  -9.373  -1.024
  244   HG22  THR  40          HG22      THR  40  12.160 -10.746  -2.131
  245   HG23  THR  40          HG23      THR  40  10.910 -10.604  -0.895
  246    H    VAL  41           H        VAL  41  11.540  -5.366  -2.700
  247    HA   VAL  41           HA       VAL  41  13.924  -6.088  -4.233
  248    HB   VAL  41           HB       VAL  41  14.059  -3.684  -4.780
  249   HG11  VAL  41          HG11      VAL  41  12.733  -4.085  -6.519
  250   HG12  VAL  41          HG12      VAL  41  12.209  -5.553  -5.695
  251   HG13  VAL  41          HG13      VAL  41  11.291  -4.059  -5.505
  252   HG21  VAL  41          HG21      VAL  41  11.505  -3.466  -3.188
  253   HG22  VAL  41          HG22      VAL  41  13.070  -2.794  -2.732
  254   HG23  VAL  41          HG23      VAL  41  12.229  -2.184  -4.158
  255    H    ALA  42           H        ALA  42  15.895  -4.701  -3.849
  256    HA   ALA  42           HA       ALA  42  16.455  -4.679  -0.978
  257    HB1  ALA  42           HB1      ALA  42  18.459  -4.356  -3.196
  258    HB2  ALA  42           HB2      ALA  42  18.748  -4.837  -1.523
  259    HB3  ALA  42           HB3      ALA  42  17.910  -5.931  -2.625
  260    H    ALA  43           H        ALA  43  17.603  -2.917  -0.006
  261    HA   ALA  43           HA       ALA  43  17.323  -0.355  -1.430
  262    HB1  ALA  43           HB1      ALA  43  16.787  -0.681   1.513
  263    HB2  ALA  43           HB2      ALA  43  16.455   0.719   0.493
  264    HB3  ALA  43           HB3      ALA  43  15.519  -0.763   0.288
  265    H    HIS  44           H        HIS  44  19.642  -0.924  -1.856
  266    HA   HIS  44           HA       HIS  44  21.859  -0.531  -1.529
  267    HB3  HIS  44           HB3      HIS  44  21.512   1.124   0.885
  268    HD1  HIS  44           HD1      HIS  44  21.784   3.252  -1.945
  269    HD2  HIS  44           HD2      HIS  44  24.394   0.705   0.044
  270    HE1  HIS  44           HE1      HIS  44  24.090   4.004  -2.606
  Start of MODEL    3
    1    H1   ARG   1           H1       ARG   1  -7.057  11.439   6.253
    2    HA   ARG   1           HA       ARG   1  -8.366   9.667   4.849
    3    HB3  ARG   1           HB3      ARG   1  -8.475  11.271   2.888
    4    HG3  ARG   1           HG3      ARG   1  -9.609  11.528   5.350
    5    HD3  ARG   1           HD3      ARG   1  -8.887  14.328   4.805
    6    HE   ARG   1           HE       ARG   1  -8.775  13.344   7.488
    7   HH11  ARG   1          HH11      ARG   1 -10.915  14.288   4.910
    8   HH12  ARG   1          HH12      ARG   1 -12.225  14.693   5.970
    9   HH21  ARG   1          HH22      ARG   1 -10.491  13.875   8.893
   10   HH22  ARG   1          HH21      ARG   1 -11.982  14.459   8.235
   11    H    ARG   2           H        ARG   2  -8.292   8.758   2.671
   12    HA   ARG   2           HA       ARG   2  -5.590   7.814   2.042
   13    HB3  ARG   2           HB3      ARG   2  -7.181   6.052   2.425
   14    HG3  ARG   2           HG3      ARG   2  -8.905   6.269   0.176
   15    HD3  ARG   2           HD3      ARG   2 -10.624   6.335   2.092
   16    HE   ARG   2           HE       ARG   2  -9.045   3.971   2.508
   17   HH11  ARG   2          HH11      ARG   2 -11.167   5.645   0.315
   18   HH12  ARG   2          HH12      ARG   2 -11.676   4.203  -0.500
   19   HH21  ARG   2          HH22      ARG   2  -9.706   2.065   1.443
   20   HH22  ARG   2          HH21      ARG   2 -10.845   2.168   0.143
   21    H    ARG   3           H        ARG   3  -4.585   8.264   0.167
   22    HA   ARG   3           HA       ARG   3  -4.119   9.235  -1.835
   23    HB3  ARG   3           HB3      ARG   3  -6.722   9.486  -2.992
   24    HG3  ARG   3           HG3      ARG   3  -4.233   8.387  -3.675
   25    HD3  ARG   3           HD3      ARG   3  -6.436   6.376  -3.541
   26    HE   ARG   3           HE       ARG   3  -5.071   6.779  -5.921
   27   HH11  ARG   3          HH11      ARG   3  -5.548   4.213  -3.617
   28   HH12  ARG   3          HH12      ARG   3  -5.380   2.950  -4.791
   29   HH21  ARG   3          HH22      ARG   3  -4.847   5.126  -7.477
   30   HH22  ARG   3          HH21      ARG   3  -4.979   3.470  -6.986
   31    H    ARG   4           H        ARG   4  -4.680  11.171  -3.263
   32    HA   ARG   4           HA       ARG   4  -4.891  13.431  -3.423
   33    HB3  ARG   4           HB3      ARG   4  -7.191  13.261  -1.494
   34    HG3  ARG   4           HG3      ARG   4  -6.527  14.963  -3.862
   35    HD3  ARG   4           HD3      ARG   4  -9.169  14.007  -3.016
   36    HE   ARG   4           HE       ARG   4  -9.802  16.090  -2.289
   37   HH11  ARG   4          HH11      ARG   4  -7.855  16.404  -5.158
   38   HH12  ARG   4          HH12      ARG   4  -8.181  18.095  -5.350
   39   HH21  ARG   4          HH22      ARG   4 -10.239  18.316  -2.532
   40   HH22  ARG   4          HH21      ARG   4  -9.535  19.181  -3.857
   41    H    ARG   5           H        ARG   5  -3.288  12.259  -1.225
   42    HA   ARG   5           HA       ARG   5  -2.715  14.697   0.152
   43    HB3  ARG   5           HB3      ARG   5  -3.558  12.420   1.930
   44    HG3  ARG   5           HG3      ARG   5  -2.378  14.944   2.414
   45    HD3  ARG   5           HD3      ARG   5  -4.010  15.819   4.064
   46    HE   ARG   5           HE       ARG   5  -5.560  16.099   1.691
   47   HH11  ARG   5          HH11      ARG   5  -2.471  16.843   3.111
   48   HH12  ARG   5          HH12      ARG   5  -2.204  18.238   2.118
   49   HH21  ARG   5          HH22      ARG   5  -5.220  17.933   0.378
   50   HH22  ARG   5          HH21      ARG   5  -3.768  18.857   0.564
   51    H    ARG   6           H        ARG   6  -1.438  12.615  -1.511
   52    HA   ARG   6           HA       ARG   6   0.545  11.512  -1.680
   53    HB3  ARG   6           HB3      ARG   6   2.389  12.312  -0.223
   54    HG3  ARG   6           HG3      ARG   6   1.524  14.932  -0.644
   55    HD3  ARG   6           HD3      ARG   6   2.823  13.406  -2.839
   56    HE   ARG   6           HE       ARG   6   3.336  15.600  -3.215
   57   HH11  ARG   6          HH11      ARG   6   3.703  14.924   0.180
   58   HH12  ARG   6          HH12      ARG   6   4.387  16.473   0.548
   59   HH21  ARG   6          HH22      ARG   6   4.235  17.642  -2.744
   60   HH22  ARG   6          HH21      ARG   6   4.690  18.018  -1.117
   61    HA   PRO   7           HA       PRO   7  -0.771   8.535   1.641
   62    HB3  PRO   7           HB3      PRO   7  -2.449   7.680   0.323
   63    HG3  PRO   7           HG3      PRO   7  -2.380   7.891  -1.992
   64    HD3  PRO   7           HD3      PRO   7  -1.977  10.077  -1.382
   65    HA   PRO   8           HA       PRO   8   3.034   6.352   1.934
   66    HB3  PRO   8           HB3      PRO   8   2.222   5.340   3.831
   67    HG3  PRO   8           HG3      PRO   8   0.005   4.655   3.971
   68    HD3  PRO   8           HD3      PRO   8  -0.294   6.819   3.232
   69    H    CYS   9           H        CYS   9   0.552   4.236   0.479
   70    HA   CYS   9           HA       CYS   9   2.237   2.495  -0.862
   71    HB3  CYS   9           HB3      CYS   9  -0.141   3.149  -2.418
   72    H    GLU  10           H        GLU  10   1.416   5.778  -1.602
   73    HA   GLU  10           HA       GLU  10   2.323   5.655  -4.336
   74    HB3  GLU  10           HB3      GLU  10   2.232   8.284  -3.887
   75    HG3  GLU  10           HG3      GLU  10  -0.326   6.710  -3.971
   76    H    ASP  11           H        ASP  11   3.476   7.379  -1.432
   77    HA   ASP  11           HA       ASP  11   5.867   8.323  -2.436
   78    HB3  ASP  11           HB3      ASP  11   6.434   7.614   0.214
   79    H    VAL  12           H        VAL  12   5.496   5.355  -0.486
   80    HA   VAL  12           HA       VAL  12   8.120   4.427  -1.132
   81    HB   VAL  12           HB       VAL  12   7.554   2.418   0.073
   82   HG11  VAL  12          HG11      VAL  12   6.483   4.944   1.308
   83   HG12  VAL  12          HG12      VAL  12   6.663   3.436   2.208
   84   HG13  VAL  12          HG13      VAL  12   8.080   4.224   1.509
   85   HG21  VAL  12          HG21      VAL  12   4.902   3.033  -0.811
   86   HG22  VAL  12          HG22      VAL  12   5.518   1.547  -0.085
   87   HG23  VAL  12          HG23      VAL  12   4.910   2.846   0.943
   88    H    ASN  13           H        ASN  13   5.249   4.465  -2.853
   89    HA   ASN  13           HA       ASN  13   4.478   3.403  -4.716
   90    HB3  ASN  13           HB3      ASN  13   6.169   2.799  -6.379
   91   HD21  ASN  13          HD22      ASN  13   8.448   4.685  -4.784
   92   HD22  ASN  13          HD21      ASN  13   7.985   6.226  -5.412
   93    H    GLY  14           H        GLY  14   3.569   1.799  -3.147
   94    HA2  GLY  14           HA2      GLY  14   4.904  -0.816  -3.268
   95    HA3  GLY  14           HA3      GLY  14   3.605  -0.376  -2.168
   96    H    GLN  15           H        GLN  15   3.133  -2.668  -3.212
   97    HA   GLN  15           HA       GLN  15   1.385  -2.208  -5.540
   98    HB3  GLN  15           HB3      GLN  15   1.719  -4.514  -6.175
   99    HG3  GLN  15           HG3      GLN  15   4.404  -3.351  -5.471
  100   HE21  GLN  15          HE22      GLN  15   6.121  -4.141  -6.676
  101   HE22  GLN  15          HE21      GLN  15   6.044  -5.649  -7.515
  102    H    CYS  16           H        CYS  16  -0.723  -2.734  -5.390
  103    HA   CYS  16           HA       CYS  16  -1.786  -3.342  -2.788
  104    HB3  CYS  16           HB3      CYS  16  -3.994  -3.188  -3.954
  105    H    GLN  17           H        GLN  17  -1.382  -5.402  -2.157
  106    HA   GLN  17           HA       GLN  17  -2.537  -7.533  -3.824
  107    HB3  GLN  17           HB3      GLN  17  -0.672  -8.807  -3.767
  108    HG3  GLN  17           HG3      GLN  17   0.879  -6.439  -2.813
  109   HE21  GLN  17          HE22      GLN  17   1.625  -6.750  -5.862
  110   HE22  GLN  17          HE21      GLN  17   2.856  -7.961  -5.802
  111    HA   PRO  18           HA       PRO  18  -4.695  -8.923  -0.270
  112    HB3  PRO  18           HB3      PRO  18  -5.561 -10.612  -1.566
  113    HG3  PRO  18           HG3      PRO  18  -4.254 -11.690  -3.158
  114    HD3  PRO  18           HD3      PRO  18  -3.830  -9.495  -3.718
  115    H    ARG  19           H        ARG  19  -4.464 -10.939   1.426
  116    HA   ARG  19           HA       ARG  19  -1.941 -10.389   2.779
  117    HB3  ARG  19           HB3      ARG  19  -2.970 -11.215   4.757
  118    HG3  ARG  19           HG3      ARG  19  -4.123  -9.132   3.406
  119    HD3  ARG  19           HD3      ARG  19  -5.948 -10.882   2.836
  120    HE   ARG  19           HE       ARG  19  -6.130 -11.212   5.529
  121   HH11  ARG  19          HH11      ARG  19  -8.288 -10.021   3.069
  122   HH12  ARG  19          HH12      ARG  19  -9.722 -10.540   3.892
  123   HH21  ARG  19          HH22      ARG  19  -8.010 -11.900   6.622
  124   HH22  ARG  19          HH21      ARG  19  -9.563 -11.608   5.914
  125    H    GLY  20           H        GLY  20  -3.492 -12.894   1.000
  126    HA2  GLY  20           HA2      GLY  20  -1.969 -15.072   2.091
  127    HA3  GLY  20           HA3      GLY  20  -2.968 -15.117   0.645
  128    H    ASN  21           H        ASN  21   0.066 -13.605   1.758
  129    HA   ASN  21           HA       ASN  21   1.625 -14.840  -0.258
  130    HB3  ASN  21           HB3      ASN  21   0.896 -13.450  -1.930
  131   HD21  ASN  21          HD22      ASN  21  -0.292 -11.748  -2.704
  132   HD22  ASN  21          HD21      ASN  21  -1.109 -10.624  -1.677
  133    HA   PRO  22           HA       PRO  22   4.861 -13.629   2.448
  134    HB3  PRO  22           HB3      PRO  22   6.249 -14.992   1.225
  135    HG3  PRO  22           HG3      PRO  22   6.046 -15.145  -1.088
  136    HD3  PRO  22           HD3      PRO  22   3.849 -15.478  -0.472
  137    H    CYS  23           H        CYS  23   3.681 -11.549   0.092
  138    HA   CYS  23           HA       CYS  23   5.387  -9.441  -0.129
  139    HB3  CYS  23           HB3      CYS  23   3.005  -9.683  -1.040
  140    H    LEU  24           H        LEU  24   5.583  -7.406   1.003
  141    HA   LEU  24           HA       LEU  24   5.521  -7.793   3.905
  142    HB3  LEU  24           HB3      LEU  24   6.896  -5.640   2.304
  143    HG   LEU  24           HG       LEU  24   6.827  -6.194   5.184
  144   HD11  LEU  24          HD11      LEU  24   9.481  -5.476   3.981
  145   HD12  LEU  24          HD12      LEU  24   9.052  -7.141   4.377
  146   HD13  LEU  24          HD13      LEU  24   9.106  -5.918   5.647
  147   HD21  LEU  24          HD21      LEU  24   7.712  -3.822   5.162
  148   HD22  LEU  24          HD22      LEU  24   6.121  -4.069   4.440
  149   HD23  LEU  24          HD23      LEU  24   7.538  -3.875   3.406
  150    H    ARG  25           H        ARG  25   3.345  -7.357   4.314
  151    HA   ARG  25           HA       ARG  25   1.660  -5.476   3.428
  152    HB3  ARG  25           HB3      ARG  25   1.285  -7.093   5.339
  153    HG3  ARG  25           HG3      ARG  25   1.449  -6.012   7.615
  154    HD3  ARG  25           HD3      ARG  25   4.244  -6.344   6.892
  155    HE   ARG  25           HE       ARG  25   2.428  -7.470   8.814
  156   HH11  ARG  25          HH11      ARG  25   5.545  -7.779   7.295
  157   HH12  ARG  25          HH12      ARG  25   6.240  -8.675   8.606
  158   HH21  ARG  25          HH22      ARG  25   3.331  -8.647  10.546
  159   HH22  ARG  25          HH21      ARG  25   4.980  -9.168  10.454
  160    H    LEU  26           H        LEU  26   1.238  -3.303   3.681
  161    HA   LEU  26           HA       LEU  26   3.340  -1.717   5.001
  162    HB3  LEU  26           HB3      LEU  26   2.184  -0.118   3.017
  163    HG   LEU  26           HG       LEU  26   4.848  -1.496   3.146
  164   HD11  LEU  26          HD11      LEU  26   3.769   0.232   0.927
  165   HD12  LEU  26          HD12      LEU  26   4.369  -1.422   0.808
  166   HD13  LEU  26          HD13      LEU  26   5.482  -0.105   1.176
  167   HD21  LEU  26          HD21      LEU  26   3.736   1.172   3.760
  168   HD22  LEU  26          HD22      LEU  26   5.339   1.133   3.027
  169   HD23  LEU  26          HD23      LEU  26   5.042   0.276   4.540
  170    H    ARG  27           H        ARG  27   0.167  -1.063   3.513
  171    HA   ARG  27           HA       ARG  27  -1.002  -0.356   6.044
  172    HB3  ARG  27           HB3      ARG  27  -1.587   1.996   5.002
  173    HG3  ARG  27           HG3      ARG  27   0.154   1.213   6.967
  174    HD3  ARG  27           HD3      ARG  27   1.652   3.248   5.368
  175    HE   ARG  27           HE       ARG  27   2.141   1.875   7.812
  176   HH11  ARG  27          HH11      ARG  27   3.704   3.203   5.001
  177   HH12  ARG  27          HH12      ARG  27   5.213   3.475   5.806
  178   HH21  ARG  27          HH22      ARG  27   4.122   2.228   8.885
  179   HH22  ARG  27          HH21      ARG  27   5.450   2.920   8.017
  180    H    GLY  28           H        GLY  28  -3.212   0.924   5.435
  181    HA2  GLY  28           HA2      GLY  28  -4.586  -0.938   3.659
  182    HA3  GLY  28           HA3      GLY  28  -5.343   0.192   4.771
  183    H    ALA  29           H        ALA  29  -2.851   1.429   2.753
  184    HA   ALA  29           HA       ALA  29  -4.692   3.214   1.466
  185    HB1  ALA  29           HB1      ALA  29  -2.456   3.791   0.193
  186    HB2  ALA  29           HB2      ALA  29  -2.723   4.302   1.861
  187    HB3  ALA  29           HB3      ALA  29  -1.739   2.879   1.521
  188    H    CYS  30           H        CYS  30  -5.747   1.033   0.636
  189    HA   CYS  30           HA       CYS  30  -5.148   0.938  -2.192
  190    HB3  CYS  30           HB3      CYS  30  -5.281  -1.710  -1.919
  191    HA   PRO  31           HA       PRO  31  -9.469   0.295  -2.591
  192    HB3  PRO  31           HB3      PRO  31  -9.176   0.339  -4.870
  193    HG3  PRO  31           HG3      PRO  31  -7.326  -0.659  -5.861
  194    HD3  PRO  31           HD3      PRO  31  -6.278   0.592  -4.234
  195    H    ARG  32           H        ARG  32 -11.199  -1.178  -2.289
  196    HA   ARG  32           HA       ARG  32 -10.840  -3.162  -0.414
  197    HB3  ARG  32           HB3      ARG  32 -13.017  -2.154  -0.916
  198    HG3  ARG  32           HG3      ARG  32 -14.190  -3.597  -2.878
  199    HD3  ARG  32           HD3      ARG  32 -12.837  -1.109  -3.747
  200    HE   ARG  32           HE       ARG  32 -15.325  -2.357  -4.267
  201   HH11  ARG  32          HH11      ARG  32 -13.839   0.773  -3.931
  202   HH12  ARG  32          HH12      ARG  32 -14.975   1.568  -4.969
  203   HH21  ARG  32          HH22      ARG  32 -16.827  -1.323  -5.635
  204   HH22  ARG  32          HH21      ARG  32 -16.674   0.375  -5.937
  205    H    GLY  33           H        GLY  33 -10.744  -5.414  -0.454
  206    HA2  GLY  33           HA2      GLY  33 -10.556  -7.532  -1.451
  207    HA3  GLY  33           HA3      GLY  33 -10.476  -6.759  -3.028
  208    H    SER  34           H        SER  34  -8.391  -4.907  -1.637
  209    HA   SER  34           HA       SER  34  -6.136  -6.742  -1.447
  210    HB3  SER  34           HB3      SER  34  -5.691  -6.420  -3.654
  211    HG   SER  34           HG       SER  34  -6.646  -3.817  -3.877
  212    H    ARG  35           H        ARG  35  -4.148  -5.645  -0.732
  213    HA   ARG  35           HA       ARG  35  -4.642  -3.080   0.612
  214    HB3  ARG  35           HB3      ARG  35  -3.606  -3.862   2.650
  215    HG3  ARG  35           HG3      ARG  35  -6.038  -4.970   1.695
  216    HD3  ARG  35           HD3      ARG  35  -4.359  -7.049   2.195
  217    HE   ARG  35           HE       ARG  35  -4.165  -7.196   4.467
  218   HH11  ARG  35          HH11      ARG  35  -7.418  -6.245   3.672
  219   HH12  ARG  35          HH12      ARG  35  -7.994  -6.376   5.301
  220   HH21  ARG  35          HH22      ARG  35  -4.911  -7.375   6.615
  221   HH22  ARG  35          HH21      ARG  35  -6.567  -7.020   6.974
  222    H    CYS  36           H        CYS  36  -2.679  -1.932   1.215
  223    HA   CYS  36           HA       CYS  36  -0.761  -1.951  -0.868
  224    HB3  CYS  36           HB3      CYS  36  -0.564  -0.581   1.820
  225    H    CYS  37           H        CYS  37   0.648  -3.565  -1.103
  226    HA   CYS  37           HA       CYS  37   2.075  -4.521   1.293
  227    HB3  CYS  37           HB3      CYS  37   2.396  -6.427  -0.748
  228    H    MET  38           H        MET  38   4.203  -4.201   1.345
  229    HA   MET  38           HA       MET  38   5.534  -2.802  -0.736
  230    HB3  MET  38           HB3      MET  38   7.344  -4.098   1.117
  231    HG3  MET  38           HG3      MET  38   7.026  -1.396   1.792
  232    HE1  MET  38           HE1      MET  38  10.466  -1.576   2.596
  233    HE2  MET  38           HE2      MET  38   9.810  -0.131   1.826
  234    HE3  MET  38           HE3      MET  38   8.794  -1.097   2.897
  235    HA   PRO  39           HA       PRO  39   6.899  -6.120  -3.286
  236    HB3  PRO  39           HB3      PRO  39   7.368  -4.514  -4.863
  237    HG3  PRO  39           HG3      PRO  39   8.147  -2.413  -4.240
  238    HD3  PRO  39           HD3      PRO  39   6.325  -2.592  -2.839
  239    H    THR  40           H        THR  40   9.090  -7.188  -3.912
  240    HA   THR  40           HA       THR  40  10.470  -7.789  -1.404
  241    HB   THR  40           HB       THR  40  11.170  -9.832  -2.364
  242    HG1  THR  40           HG1      THR  40  11.637  -9.944  -4.419
  243   HG21  THR  40          HG21      THR  40   8.655  -9.942  -3.815
  244   HG22  THR  40          HG22      THR  40   8.483  -9.162  -2.243
  245   HG23  THR  40          HG23      THR  40   9.149 -10.791  -2.350
  246    H    VAL  41           H        VAL  41  11.028  -5.337  -2.882
  247    HA   VAL  41           HA       VAL  41  13.671  -5.778  -4.030
  248    HB   VAL  41           HB       VAL  41  13.637  -3.435  -4.640
  249   HG11  VAL  41          HG11      VAL  41  11.502  -3.416  -6.002
  250   HG12  VAL  41          HG12      VAL  41  12.553  -4.817  -6.219
  251   HG13  VAL  41          HG13      VAL  41  11.102  -4.946  -5.222
  252   HG21  VAL  41          HG21      VAL  41  11.221  -2.364  -4.102
  253   HG22  VAL  41          HG22      VAL  41  11.463  -3.341  -2.654
  254   HG23  VAL  41          HG23      VAL  41  12.650  -2.113  -3.100
  255    H    ALA  42           H        ALA  42  15.444  -4.268  -3.365
  256    HA   ALA  42           HA       ALA  42  15.440  -3.952  -0.435
  257    HB1  ALA  42           HB1      ALA  42  17.379  -5.031  -0.350
  258    HB2  ALA  42           HB2      ALA  42  17.187  -5.404  -2.065
  259    HB3  ALA  42           HB3      ALA  42  18.084  -3.968  -1.570
  260    H    ALA  43           H        ALA  43  16.617  -2.158   0.450
  261    HA   ALA  43           HA       ALA  43  17.558  -0.050  -1.252
  262    HB1  ALA  43           HB1      ALA  43  15.101   0.570   0.370
  263    HB2  ALA  43           HB2      ALA  43  15.923   1.603  -0.801
  264    HB3  ALA  43           HB3      ALA  43  15.049   0.171  -1.348
  265    H    HIS  44           H        HIS  44  18.545  -1.640   0.954
  266    HA   HIS  44           HA       HIS  44  19.715  -1.438   2.895
  267    HB3  HIS  44           HB3      HIS  44  20.584   1.001   3.288
  268    HD1  HIS  44           HD1      HIS  44  22.885   0.055   3.335
  269    HD2  HIS  44           HD2      HIS  44  21.064  -0.429  -0.369
  270    HE1  HIS  44           HE1      HIS  44  24.664  -0.887   1.828
  Start of MODEL    4
    1    H1   ARG   1           H1       ARG   1  -3.184   4.068  -6.180
    2    HA   ARG   1           HA       ARG   1  -1.047   5.114  -6.602
    3    HB3  ARG   1           HB3      ARG   1  -0.414   5.717  -8.868
    4    HG3  ARG   1           HG3      ARG   1  -1.390   2.870  -8.800
    5    HD3  ARG   1           HD3      ARG   1  -0.394   4.265 -10.955
    6    HE   ARG   1           HE       ARG   1   1.870   4.282 -10.645
    7   HH11  ARG   1          HH11      ARG   1   0.594   1.252  -9.500
    8   HH12  ARG   1          HH12      ARG   1   2.154   0.550  -9.221
    9   HH21  ARG   1          HH22      ARG   1   3.930   3.368 -10.282
   10   HH22  ARG   1          HH21      ARG   1   4.049   1.756  -9.665
   11    H    ARG   2           H        ARG   2  -3.177   6.159  -5.441
   12    HA   ARG   2           HA       ARG   2  -4.311   8.381  -6.836
   13    HB3  ARG   2           HB3      ARG   2  -4.892   9.012  -4.335
   14    HG3  ARG   2           HG3      ARG   2  -6.404   6.666  -4.614
   15    HD3  ARG   2           HD3      ARG   2  -7.231   9.254  -5.846
   16    HE   ARG   2           HE       ARG   2  -9.151   8.030  -5.579
   17   HH11  ARG   2          HH11      ARG   2  -7.245   7.832  -2.673
   18   HH12  ARG   2          HH12      ARG   2  -8.486   7.041  -1.758
   19   HH21  ARG   2          HH22      ARG   2 -10.792   6.989  -4.385
   20   HH22  ARG   2          HH21      ARG   2 -10.502   6.561  -2.734
   21    H    ARG   3           H        ARG   3  -4.204  10.588  -5.498
   22    HA   ARG   3           HA       ARG   3  -1.635  11.258  -4.433
   23    HB3  ARG   3           HB3      ARG   3  -2.292  12.619  -7.032
   24    HG3  ARG   3           HG3      ARG   3   0.478  12.128  -6.130
   25    HD3  ARG   3           HD3      ARG   3  -0.609  14.759  -6.975
   26    HE   ARG   3           HE       ARG   3   1.942  13.597  -6.894
   27   HH11  ARG   3          HH11      ARG   3  -0.035  15.562  -8.979
   28   HH12  ARG   3          HH12      ARG   3   1.311  16.367  -9.714
   29   HH21  ARG   3          HH22      ARG   3   3.724  14.650  -7.854
   30   HH22  ARG   3          HH21      ARG   3   3.448  15.848  -9.074
   31    H    ARG   4           H        ARG   4  -4.117  11.527  -3.341
   32    HA   ARG   4           HA       ARG   4  -5.108  14.208  -3.773
   33    HB3  ARG   4           HB3      ARG   4  -6.645  13.621  -1.867
   34    HG3  ARG   4           HG3      ARG   4  -7.567  11.466  -3.147
   35    HD3  ARG   4           HD3      ARG   4  -8.325  13.347  -4.927
   36    HE   ARG   4           HE       ARG   4  -9.420  12.409  -2.522
   37   HH11  ARG   4          HH11      ARG   4  -9.634  15.137  -4.674
   38   HH12  ARG   4          HH12      ARG   4 -11.285  15.488  -4.274
   39   HH21  ARG   4          HH22      ARG   4 -11.590  12.862  -1.987
   40   HH22  ARG   4          HH21      ARG   4 -12.395  14.194  -2.745
   41    H    ARG   5           H        ARG   5  -3.743  12.458  -0.979
   42    HA   ARG   5           HA       ARG   5  -2.679  15.031  -0.017
   43    HB3  ARG   5           HB3      ARG   5  -2.972  14.019   2.313
   44    HG3  ARG   5           HG3      ARG   5  -5.305  14.843   0.626
   45    HD3  ARG   5           HD3      ARG   5  -5.348  14.385   3.604
   46    HE   ARG   5           HE       ARG   5  -7.807  14.788   2.160
   47   HH11  ARG   5          HH11      ARG   5  -5.210  16.314   3.904
   48   HH12  ARG   5          HH12      ARG   5  -6.138  17.718   4.317
   49   HH21  ARG   5          HH22      ARG   5  -9.040  16.630   2.698
   50   HH22  ARG   5          HH21      ARG   5  -8.316  17.896   3.632
   51    H    ARG   6           H        ARG   6  -1.411  12.971  -1.654
   52    HA   ARG   6           HA       ARG   6   0.535  11.802  -1.809
   53    HB3  ARG   6           HB3      ARG   6   2.369  12.589  -0.226
   54    HG3  ARG   6           HG3      ARG   6   0.854  14.556  -1.910
   55    HD3  ARG   6           HD3      ARG   6   2.772  15.167   0.075
   56    HE   ARG   6           HE       ARG   6   4.708  15.149  -1.124
   57   HH11  ARG   6          HH11      ARG   6   2.108  16.107  -3.232
   58   HH12  ARG   6          HH12      ARG   6   3.149  16.444  -4.576
   59   HH21  ARG   6          HH22      ARG   6   6.087  15.590  -2.886
   60   HH22  ARG   6          HH21      ARG   6   5.412  16.149  -4.378
   61    HA   PRO   7           HA       PRO   7  -0.796   8.977   1.660
   62    HB3  PRO   7           HB3      PRO   7  -2.603   8.192   0.477
   63    HG3  PRO   7           HG3      PRO   7  -2.677   8.346  -1.842
   64    HD3  PRO   7           HD3      PRO   7  -2.111  10.518  -1.318
   65    HA   PRO   8           HA       PRO   8   2.890   6.581   1.761
   66    HB3  PRO   8           HB3      PRO   8   2.152   5.663   3.735
   67    HG3  PRO   8           HG3      PRO   8  -0.088   5.114   4.039
   68    HD3  PRO   8           HD3      PRO   8  -0.311   7.273   3.263
   69    H    CYS   9           H        CYS   9   0.200   4.581   0.531
   70    HA   CYS   9           HA       CYS   9   1.714   2.730  -0.883
   71    HB3  CYS   9           HB3      CYS   9  -0.794   3.470  -2.208
   72    H    GLU  10           H        GLU  10   0.983   6.025  -1.620
   73    HA   GLU  10           HA       GLU  10   1.605   5.812  -4.427
   74    HB3  GLU  10           HB3      GLU  10   1.200   8.209  -2.632
   75    HG3  GLU  10           HG3      GLU  10   0.688   9.255  -4.976
   76    H    ASP  11           H        ASP  11   3.130   7.509  -1.683
   77    HA   ASP  11           HA       ASP  11   5.449   8.327  -2.921
   78    HB3  ASP  11           HB3      ASP  11   6.249   7.568  -0.344
   79    H    VAL  12           H        VAL  12   5.097   5.345  -0.991
   80    HA   VAL  12           HA       VAL  12   7.608   4.298  -1.854
   81    HB   VAL  12           HB       VAL  12   7.023   2.289  -0.665
   82   HG11  VAL  12          HG11      VAL  12   6.153   4.819   0.712
   83   HG12  VAL  12          HG12      VAL  12   6.337   3.279   1.553
   84   HG13  VAL  12          HG13      VAL  12   7.729   4.032   0.777
   85   HG21  VAL  12          HG21      VAL  12   4.914   1.578  -0.935
   86   HG22  VAL  12          HG22      VAL  12   4.548   2.606   0.452
   87   HG23  VAL  12          HG23      VAL  12   4.295   3.210  -1.185
   88    H    ASN  13           H        ASN  13   4.526   4.421  -3.261
   89    HA   ASN  13           HA       ASN  13   3.555   3.417  -5.062
   90    HB3  ASN  13           HB3      ASN  13   5.162   2.816  -6.912
   91   HD21  ASN  13          HD22      ASN  13   6.954   5.285  -5.320
   92   HD22  ASN  13          HD21      ASN  13   6.238   6.629  -6.133
   93    H    GLY  14           H        GLY  14   3.999   1.730  -2.775
   94    HA2  GLY  14           HA2      GLY  14   5.057  -0.784  -3.402
   95    HA3  GLY  14           HA3      GLY  14   3.825  -0.479  -2.187
   96    H    GLN  15           H        GLN  15   3.346  -2.753  -3.121
   97    HA   GLN  15           HA       GLN  15   1.655  -2.546  -5.510
   98    HB3  GLN  15           HB3      GLN  15   1.704  -5.205  -4.903
   99    HG3  GLN  15           HG3      GLN  15   4.074  -4.221  -6.372
  100   HE21  GLN  15          HE22      GLN  15   4.822  -6.250  -6.624
  101   HE22  GLN  15          HE21      GLN  15   3.960  -7.515  -7.427
  102    H    CYS  16           H        CYS  16  -0.378  -3.839  -5.484
  103    HA   CYS  16           HA       CYS  16  -1.665  -3.684  -2.835
  104    HB3  CYS  16           HB3      CYS  16  -3.791  -3.267  -4.102
  105    H    GLN  17           H        GLN  17  -2.031  -5.644  -2.050
  106    HA   GLN  17           HA       GLN  17  -3.471  -7.596  -3.586
  107    HB3  GLN  17           HB3      GLN  17  -1.640  -8.628  -4.392
  108    HG3  GLN  17           HG3      GLN  17   0.047  -7.444  -2.199
  109   HE21  GLN  17          HE22      GLN  17   1.069  -9.505  -1.975
  110   HE22  GLN  17          HE21      GLN  17   2.208 -10.043  -3.157
  111    HA   PRO  18           HA       PRO  18  -4.914  -8.873   0.353
  112    HB3  PRO  18           HB3      PRO  18  -6.253 -10.400  -0.721
  113    HG3  PRO  18           HG3      PRO  18  -5.487 -11.573  -2.577
  114    HD3  PRO  18           HD3      PRO  18  -4.928  -9.427  -3.206
  115    H    ARG  19           H        ARG  19  -4.560 -10.875   1.991
  116    HA   ARG  19           HA       ARG  19  -1.788 -10.651   2.787
  117    HB3  ARG  19           HB3      ARG  19  -3.503 -10.417   4.487
  118    HG3  ARG  19           HG3      ARG  19  -4.293 -13.172   4.754
  119    HD3  ARG  19           HD3      ARG  19  -5.601 -10.487   4.626
  120    HE   ARG  19           HE       ARG  19  -6.969 -12.812   3.873
  121   HH11  ARG  19          HH11      ARG  19  -7.257 -10.155   6.104
  122   HH12  ARG  19          HH12      ARG  19  -8.990 -10.196   6.134
  123   HH21  ARG  19          HH22      ARG  19  -9.250 -12.878   3.905
  124   HH22  ARG  19          HH21      ARG  19 -10.121 -11.747   4.883
  125    H    GLY  20           H        GLY  20  -3.473 -12.693   0.792
  126    HA2  GLY  20           HA2      GLY  20  -2.175 -15.164   1.554
  127    HA3  GLY  20           HA3      GLY  20  -3.223 -14.919   0.164
  128    H    ASN  21           H        ASN  21  -0.133 -13.481   1.219
  129    HA   ASN  21           HA       ASN  21   1.303 -14.667  -0.962
  130    HB3  ASN  21           HB3      ASN  21   0.603 -13.053  -2.428
  131   HD21  ASN  21          HD22      ASN  21  -1.318 -12.118  -2.389
  132   HD22  ASN  21          HD21      ASN  21  -1.755 -10.753  -1.423
  133    HA   PRO  22           HA       PRO  22   4.730 -13.949   1.681
  134    HB3  PRO  22           HB3      PRO  22   5.994 -15.182   0.209
  135    HG3  PRO  22           HG3      PRO  22   5.669 -15.009  -2.087
  136    HD3  PRO  22           HD3      PRO  22   3.492 -15.340  -1.402
  137    H    CYS  23           H        CYS  23   3.931 -11.565  -0.717
  138    HA   CYS  23           HA       CYS  23   5.765  -9.563  -0.248
  139    HB3  CYS  23           HB3      CYS  23   2.871  -8.853  -0.545
  140    H    LEU  24           H        LEU  24   6.067  -7.995   1.266
  141    HA   LEU  24           HA       LEU  24   5.129  -8.457   3.891
  142    HB3  LEU  24           HB3      LEU  24   6.179  -5.780   3.179
  143    HG   LEU  24           HG       LEU  24   6.056  -7.128   5.560
  144   HD11  LEU  24          HD11      LEU  24   7.918  -8.593   4.576
  145   HD12  LEU  24          HD12      LEU  24   8.153  -7.920   6.190
  146   HD13  LEU  24          HD13      LEU  24   8.955  -7.184   4.804
  147   HD21  LEU  24          HD21      LEU  24   8.176  -5.327   5.813
  148   HD22  LEU  24          HD22      LEU  24   6.462  -5.008   6.083
  149   HD23  LEU  24          HD23      LEU  24   7.178  -4.696   4.501
  150    H    ARG  25           H        ARG  25   4.441  -6.157   5.057
  151    HA   ARG  25           HA       ARG  25   1.983  -5.316   3.665
  152    HB3  ARG  25           HB3      ARG  25   1.542  -6.820   5.591
  153    HG3  ARG  25           HG3      ARG  25   1.729  -5.630   7.870
  154    HD3  ARG  25           HD3      ARG  25   4.427  -6.341   7.516
  155    HE   ARG  25           HE       ARG  25   2.306  -7.293   9.001
  156   HH11  ARG  25          HH11      ARG  25   5.008  -8.639   7.266
  157   HH12  ARG  25          HH12      ARG  25   5.150 -10.022   8.300
  158   HH21  ARG  25          HH22      ARG  25   2.483  -9.111  10.368
  159   HH22  ARG  25          HH21      ARG  25   3.713 -10.290  10.063
  160    H    LEU  26           H        LEU  26   1.232  -3.172   4.113
  161    HA   LEU  26           HA       LEU  26   3.231  -1.372   5.293
  162    HB3  LEU  26           HB3      LEU  26   2.381   0.225   3.369
  163    HG   LEU  26           HG       LEU  26   4.521  -1.859   3.035
  164   HD11  LEU  26          HD11      LEU  26   4.865   0.241   1.173
  165   HD12  LEU  26          HD12      LEU  26   3.239  -0.403   0.955
  166   HD13  LEU  26          HD13      LEU  26   4.633  -1.479   0.856
  167   HD21  LEU  26          HD21      LEU  26   5.947  -0.285   3.802
  168   HD22  LEU  26          HD22      LEU  26   4.487   0.356   4.559
  169   HD23  LEU  26          HD23      LEU  26   5.068   1.041   3.042
  170    H    ARG  27           H        ARG  27   0.118  -0.911   3.632
  171    HA   ARG  27           HA       ARG  27  -1.248  -0.285   6.086
  172    HB3  ARG  27           HB3      ARG  27  -1.872   2.048   5.023
  173    HG3  ARG  27           HG3      ARG  27  -0.231   1.326   7.094
  174    HD3  ARG  27           HD3      ARG  27   1.271   3.445   5.609
  175    HE   ARG  27           HE       ARG  27   1.616   2.217   8.106
  176   HH11  ARG  27          HH11      ARG  27   3.466   3.125   5.299
  177   HH12  ARG  27          HH12      ARG  27   4.942   3.342   6.180
  178   HH21  ARG  27          HH22      ARG  27   3.553   2.500   9.277
  179   HH22  ARG  27          HH21      ARG  27   4.989   2.987   8.443
  180    H    GLY  28           H        GLY  28  -3.475   0.880   5.353
  181    HA2  GLY  28           HA2      GLY  28  -4.589  -0.970   3.373
  182    HA3  GLY  28           HA3      GLY  28  -5.503  -0.053   4.560
  183    H    ALA  29           H        ALA  29  -3.101   1.705   2.884
  184    HA   ALA  29           HA       ALA  29  -4.876   3.584   1.838
  185    HB1  ALA  29           HB1      ALA  29  -2.849   4.546   1.850
  186    HB2  ALA  29           HB2      ALA  29  -2.010   3.016   1.599
  187    HB3  ALA  29           HB3      ALA  29  -2.707   3.874   0.226
  188    H    CYS  30           H        CYS  30  -3.904   0.509   0.616
  189    HA   CYS  30           HA       CYS  30  -4.444   0.948  -2.133
  190    HB3  CYS  30           HB3      CYS  30  -4.837  -1.696  -1.910
  191    HA   PRO  31           HA       PRO  31  -8.811   0.707  -2.454
  192    HB3  PRO  31           HB3      PRO  31  -8.564   0.773  -4.738
  193    HG3  PRO  31           HG3      PRO  31  -6.835  -0.370  -5.791
  194    HD3  PRO  31           HD3      PRO  31  -5.640   0.741  -4.164
  195    H    ARG  32           H        ARG  32 -10.673  -0.622  -2.178
  196    HA   ARG  32           HA       ARG  32 -10.469  -2.658  -0.336
  197    HB3  ARG  32           HB3      ARG  32 -12.784  -3.112  -0.728
  198    HG3  ARG  32           HG3      ARG  32 -11.937  -0.562  -0.265
  199    HD3  ARG  32           HD3      ARG  32 -12.463  -0.235  -2.795
  200    HE   ARG  32           HE       ARG  32 -15.078  -0.813  -1.854
  201   HH11  ARG  32          HH11      ARG  32 -13.306   1.287  -3.992
  202   HH12  ARG  32          HH12      ARG  32 -14.646   1.549  -5.057
  203   HH21  ARG  32          HH22      ARG  32 -16.851  -0.477  -3.251
  204   HH22  ARG  32          HH21      ARG  32 -16.662   0.547  -4.635
  205    H    GLY  33           H        GLY  33 -10.637  -4.920  -0.427
  206    HA2  GLY  33           HA2      GLY  33 -10.682  -7.015  -1.504
  207    HA3  GLY  33           HA3      GLY  33 -10.424  -6.205  -3.041
  208    H    SER  34           H        SER  34  -8.194  -4.633  -1.697
  209    HA   SER  34           HA       SER  34  -6.189  -6.748  -1.405
  210    HB3  SER  34           HB3      SER  34  -5.969  -6.261  -3.721
  211    HG   SER  34           HG       SER  34  -6.796  -4.430  -4.335
  212    H    ARG  35           H        ARG  35  -4.001  -5.716  -0.813
  213    HA   ARG  35           HA       ARG  35  -4.364  -3.299   0.808
  214    HB3  ARG  35           HB3      ARG  35  -3.124  -4.352   2.671
  215    HG3  ARG  35           HG3      ARG  35  -5.768  -5.311   1.813
  216    HD3  ARG  35           HD3      ARG  35  -4.144  -7.238   2.844
  217    HE   ARG  35           HE       ARG  35  -3.997  -6.876   5.088
  218   HH11  ARG  35          HH11      ARG  35  -7.128  -5.812   4.000
  219   HH12  ARG  35          HH12      ARG  35  -7.701  -5.445   5.592
  220   HH21  ARG  35          HH22      ARG  35  -4.740  -6.396   7.190
  221   HH22  ARG  35          HH21      ARG  35  -6.342  -5.777   7.407
  222    H    CYS  36           H        CYS  36  -2.389  -2.203   1.341
  223    HA   CYS  36           HA       CYS  36  -0.509  -2.222  -0.797
  224    HB3  CYS  36           HB3      CYS  36   0.157  -0.838   1.751
  225    H    CYS  37           H        CYS  37   0.883  -3.854  -1.018
  226    HA   CYS  37           HA       CYS  37   2.179  -4.953   1.376
  227    HB3  CYS  37           HB3      CYS  37   0.949  -6.385  -0.437
  228    H    MET  38           H        MET  38   4.408  -5.086   1.554
  229    HA   MET  38           HA       MET  38   5.871  -3.167  -0.082
  230    HB3  MET  38           HB3      MET  38   7.472  -4.436   1.950
  231    HG3  MET  38           HG3      MET  38   7.110  -1.995   2.925
  232    HE1  MET  38           HE1      MET  38   8.954  -1.567   3.659
  233    HE2  MET  38           HE2      MET  38  10.314  -2.611   3.238
  234    HE3  MET  38           HE3      MET  38  10.326  -0.914   2.761
  235    HA   PRO  39           HA       PRO  39   7.632  -6.399  -2.552
  236    HB3  PRO  39           HB3      PRO  39   7.777  -4.823  -4.217
  237    HG3  PRO  39           HG3      PRO  39   8.138  -2.580  -3.719
  238    HD3  PRO  39           HD3      PRO  39   6.388  -3.029  -2.287
  239    H    THR  40           H        THR  40  10.015  -7.007  -3.173
  240    HA   THR  40           HA       THR  40  11.504  -7.159  -0.649
  241    HB   THR  40           HB       THR  40  10.902  -9.304  -1.708
  242    HG1  THR  40           HG1      THR  40  13.013  -8.845  -0.560
  243   HG21  THR  40          HG21      THR  40  11.042  -9.561  -3.914
  244   HG22  THR  40          HG22      THR  40  12.796  -9.412  -3.812
  245   HG23  THR  40          HG23      THR  40  11.801  -7.978  -4.068
  246    H    VAL  41           H        VAL  41  11.649  -4.762  -2.158
  247    HA   VAL  41           HA       VAL  41  14.293  -4.864  -3.420
  248    HB   VAL  41           HB       VAL  41  13.832  -2.650  -4.280
  249   HG11  VAL  41          HG11      VAL  41  12.317  -4.965  -4.886
  250   HG12  VAL  41          HG12      VAL  41  11.250  -3.567  -5.041
  251   HG13  VAL  41          HG13      VAL  41  12.759  -3.634  -5.954
  252   HG21  VAL  41          HG21      VAL  41  11.244  -2.006  -3.778
  253   HG22  VAL  41          HG22      VAL  41  11.727  -2.706  -2.234
  254   HG23  VAL  41          HG23      VAL  41  12.623  -1.343  -2.904
  255    H    ALA  42           H        ALA  42  16.049  -3.823  -2.615
  256    HA   ALA  42           HA       ALA  42  17.427  -2.913  -1.046
  257    HB1  ALA  42           HB1      ALA  42  15.974  -0.938   0.210
  258    HB2  ALA  42           HB2      ALA  42  16.918  -0.754  -1.269
  259    HB3  ALA  42           HB3      ALA  42  15.189  -1.088  -1.363
  260    H    ALA  43           H        ALA  43  17.577  -4.698   0.325
  261    HA   ALA  43           HA       ALA  43  15.776  -4.713   2.651
  262    HB1  ALA  43           HB1      ALA  43  16.560  -6.783   1.000
  263    HB2  ALA  43           HB2      ALA  43  17.565  -6.991   2.436
  264    HB3  ALA  43           HB3      ALA  43  15.810  -6.942   2.589
  265    H    HIS  44           H        HIS  44  16.523  -4.015   4.537
  266    HA   HIS  44           HA       HIS  44  17.931  -3.242   6.152
  267    HB3  HIS  44           HB3      HIS  44  19.782  -5.395   5.109
  268    HD1  HIS  44           HD1      HIS  44  18.757  -3.783   8.412
  269    HD2  HIS  44           HD2      HIS  44  22.107  -5.274   6.457
  270    HE1  HIS  44           HE1      HIS  44  20.669  -3.462  10.014
  Start of MODEL    5
    1    H1   ARG   1           H1       ARG   1  -5.865   9.378  -9.280
    2    HA   ARG   1           HA       ARG   1  -7.367   7.820  -7.490
    3    HB3  ARG   1           HB3      ARG   1  -5.730   6.032  -8.851
    4    HG3  ARG   1           HG3      ARG   1  -8.381   6.474  -8.727
    5    HD3  ARG   1           HD3      ARG   1  -7.421   7.448 -11.394
    6    HE   ARG   1           HE       ARG   1  -9.376   5.564 -11.300
    7   HH11  ARG   1          HH11      ARG   1  -9.316   8.964 -12.044
    8   HH12  ARG   1          HH12      ARG   1 -10.643   8.877 -13.155
    9   HH21  ARG   1          HH22      ARG   1 -11.124   5.437 -12.760
   10   HH22  ARG   1          HH21      ARG   1 -11.672   6.870 -13.560
   11    H    ARG   2           H        ARG   2  -3.896   8.348  -7.803
   12    HA   ARG   2           HA       ARG   2  -3.538   7.052  -5.190
   13    HB3  ARG   2           HB3      ARG   2  -2.718   5.404  -6.666
   14    HG3  ARG   2           HG3      ARG   2  -1.307   7.605  -8.155
   15    HD3  ARG   2           HD3      ARG   2  -0.862   4.679  -8.044
   16    HE   ARG   2           HE       ARG   2  -1.669   5.589 -10.458
   17   HH11  ARG   2          HH11      ARG   2   1.415   4.581  -9.193
   18   HH12  ARG   2          HH12      ARG   2   1.997   4.003 -10.719
   19   HH21  ARG   2          HH22      ARG   2  -0.913   4.833 -12.472
   20   HH22  ARG   2          HH21      ARG   2   0.674   4.147 -12.583
   21    H    ARG   3           H        ARG   3  -3.692   9.360  -4.566
   22    HA   ARG   3           HA       ARG   3  -1.160  10.429  -3.997
   23    HB3  ARG   3           HB3      ARG   3  -2.428  12.457  -5.683
   24    HG3  ARG   3           HG3      ARG   3   0.341  11.324  -5.441
   25    HD3  ARG   3           HD3      ARG   3   0.768  13.494  -6.900
   26    HE   ARG   3           HE       ARG   3   0.066  11.310  -8.619
   27   HH11  ARG   3          HH11      ARG   3   2.334  12.437  -6.230
   28   HH12  ARG   3          HH12      ARG   3   3.618  11.408  -6.776
   29   HH21  ARG   3          HH22      ARG   3   1.748   9.951  -9.348
   30   HH22  ARG   3          HH21      ARG   3   3.284   9.998  -8.549
   31    H    ARG   4           H        ARG   4  -3.674   9.825  -2.719
   32    HA   ARG   4           HA       ARG   4  -4.998  12.291  -2.095
   33    HB3  ARG   4           HB3      ARG   4  -5.422  10.214  -0.131
   34    HG3  ARG   4           HG3      ARG   4  -7.685  10.212  -1.559
   35    HD3  ARG   4           HD3      ARG   4  -7.038  11.071   0.846
   36    HE   ARG   4           HE       ARG   4  -6.632  13.433  -0.600
   37   HH11  ARG   4          HH11      ARG   4  -8.348  12.299   2.209
   38   HH12  ARG   4          HH12      ARG   4  -8.287  13.827   3.024
   39   HH21  ARG   4          HH22      ARG   4  -6.546  15.449   0.462
   40   HH22  ARG   4          HH21      ARG   4  -7.262  15.618   2.029
   41    H    ARG   5           H        ARG   5  -3.634  13.764  -1.190
   42    HA   ARG   5           HA       ARG   5  -2.406  14.813   0.410
   43    HB3  ARG   5           HB3      ARG   5  -2.966  12.736   2.456
   44    HG3  ARG   5           HG3      ARG   5  -4.016  15.215   3.202
   45    HD3  ARG   5           HD3      ARG   5  -1.263  14.214   3.876
   46    HE   ARG   5           HE       ARG   5  -2.922  15.205   5.975
   47   HH11  ARG   5          HH11      ARG   5  -0.822  16.160   3.367
   48   HH12  ARG   5          HH12      ARG   5  -0.395  17.675   4.093
   49   HH21  ARG   5          HH22      ARG   5  -2.369  17.198   6.939
   50   HH22  ARG   5          HH21      ARG   5  -1.276  18.264   6.124
   51    H    ARG   6           H        ARG   6  -1.195  12.737  -1.244
   52    HA   ARG   6           HA       ARG   6   0.772  11.615  -1.471
   53    HB3  ARG   6           HB3      ARG   6   2.676  12.448  -0.254
   54    HG3  ARG   6           HG3      ARG   6   0.991  14.902  -0.360
   55    HD3  ARG   6           HD3      ARG   6   3.622  14.459  -1.700
   56    HE   ARG   6           HE       ARG   6   2.104  16.698  -1.380
   57   HH11  ARG   6          HH11      ARG   6   5.282  15.726  -0.338
   58   HH12  ARG   6          HH12      ARG   6   5.918  17.337  -0.344
   59   HH21  ARG   6          HH22      ARG   6   2.931  18.824  -1.393
   60   HH22  ARG   6          HH21      ARG   6   4.581  19.098  -0.943
   61    HA   PRO   7           HA       PRO   7  -0.492   8.656   1.897
   62    HB3  PRO   7           HB3      PRO   7  -2.259   7.858   0.665
   63    HG3  PRO   7           HG3      PRO   7  -2.305   8.079  -1.650
   64    HD3  PRO   7           HD3      PRO   7  -1.806  10.250  -1.054
   65    HA   PRO   8           HA       PRO   8   3.258   6.362   1.985
   66    HB3  PRO   8           HB3      PRO   8   2.518   5.368   3.921
   67    HG3  PRO   8           HG3      PRO   8   0.291   4.750   4.176
   68    HD3  PRO   8           HD3      PRO   8   0.019   6.923   3.458
   69    H    CYS   9           H        CYS   9   0.644   4.319   0.665
   70    HA   CYS   9           HA       CYS   9   2.222   2.550  -0.777
   71    HB3  CYS   9           HB3      CYS   9  -0.295   3.301  -2.103
   72    H    GLU  10           H        GLU  10   1.395   5.842  -1.454
   73    HA   GLU  10           HA       GLU  10   2.096   5.720  -4.247
   74    HB3  GLU  10           HB3      GLU  10   1.604   8.074  -2.417
   75    HG3  GLU  10           HG3      GLU  10   1.013   8.986  -4.876
   76    H    ASP  11           H        ASP  11   3.499   7.420  -1.440
   77    HA   ASP  11           HA       ASP  11   5.826   8.311  -2.617
   78    HB3  ASP  11           HB3      ASP  11   6.575   7.572  -0.018
   79    H    VAL  12           H        VAL  12   5.542   5.340  -0.659
   80    HA   VAL  12           HA       VAL  12   8.091   4.361  -1.478
   81    HB   VAL  12           HB       VAL  12   7.551   2.348  -0.277
   82   HG11  VAL  12          HG11      VAL  12   6.566   4.857   1.059
   83   HG12  VAL  12          HG12      VAL  12   6.794   3.331   1.917
   84   HG13  VAL  12          HG13      VAL  12   8.171   4.129   1.156
   85   HG21  VAL  12          HG21      VAL  12   5.490   1.522  -0.443
   86   HG22  VAL  12          HG22      VAL  12   4.994   2.716   0.757
   87   HG23  VAL  12          HG23      VAL  12   4.842   3.079  -0.962
   88    H    ASN  13           H        ASN  13   5.077   4.430  -2.985
   89    HA   ASN  13           HA       ASN  13   4.173   3.398  -4.804
   90    HB3  ASN  13           HB3      ASN  13   5.836   2.759  -6.579
   91   HD21  ASN  13          HD22      ASN  13   7.685   5.186  -5.028
   92   HD22  ASN  13          HD21      ASN  13   7.004   6.546  -5.849
   93    H    GLY  14           H        GLY  14   3.533   1.726  -3.114
   94    HA2  GLY  14           HA2      GLY  14   4.902  -0.839  -3.472
   95    HA3  GLY  14           HA3      GLY  14   3.687  -0.477  -2.256
   96    H    GLN  15           H        GLN  15   3.036  -2.692  -3.165
   97    HA   GLN  15           HA       GLN  15   1.321  -2.343  -5.530
   98    HB3  GLN  15           HB3      GLN  15   1.390  -5.057  -4.958
   99    HG3  GLN  15           HG3      GLN  15   3.451  -3.908  -6.773
  100   HE21  GLN  15          HE22      GLN  15   3.862  -6.296  -5.979
  101   HE22  GLN  15          HE21      GLN  15   3.264  -7.505  -7.059
  102    H    CYS  16           H        CYS  16  -0.696  -3.738  -5.477
  103    HA   CYS  16           HA       CYS  16  -1.909  -3.588  -2.794
  104    HB3  CYS  16           HB3      CYS  16  -4.069  -3.203  -3.959
  105    H    GLN  17           H        GLN  17  -1.949  -5.606  -2.020
  106    HA   GLN  17           HA       GLN  17  -3.409  -7.624  -3.518
  107    HB3  GLN  17           HB3      GLN  17  -1.547  -8.674  -4.189
  108    HG3  GLN  17           HG3      GLN  17   0.086  -7.204  -2.135
  109   HE21  GLN  17          HE22      GLN  17   1.055  -9.387  -1.903
  110   HE22  GLN  17          HE21      GLN  17   2.278  -9.848  -3.034
  111    HA   PRO  18           HA       PRO  18  -4.955  -8.840   0.400
  112    HB3  PRO  18           HB3      PRO  18  -6.184 -10.457  -0.674
  113    HG3  PRO  18           HG3      PRO  18  -5.292 -11.654  -2.456
  114    HD3  PRO  18           HD3      PRO  18  -4.801  -9.507  -3.136
  115    H    ARG  19           H        ARG  19  -4.578 -10.839   2.079
  116    HA   ARG  19           HA       ARG  19  -1.867 -10.435   3.010
  117    HB3  ARG  19           HB3      ARG  19  -2.592 -11.446   5.060
  118    HG3  ARG  19           HG3      ARG  19  -4.233  -9.385   3.848
  119    HD3  ARG  19           HD3      ARG  19  -5.482 -10.431   6.305
  120    HE   ARG  19           HE       ARG  19  -6.736  -8.690   5.455
  121   HH11  ARG  19          HH11      ARG  19  -6.205 -11.100   2.999
  122   HH12  ARG  19          HH12      ARG  19  -7.361 -10.422   1.902
  123   HH21  ARG  19          HH22      ARG  19  -8.261  -7.788   4.017
  124   HH22  ARG  19          HH21      ARG  19  -8.530  -8.539   2.480
  125    H    GLY  20           H        GLY  20  -3.420 -12.658   1.044
  126    HA2  GLY  20           HA2      GLY  20  -1.968 -15.007   1.874
  127    HA3  GLY  20           HA3      GLY  20  -2.983 -14.855   0.448
  128    H    ASN  21           H        ASN  21   0.007 -13.287   1.599
  129    HA   ASN  21           HA       ASN  21   1.562 -14.393  -0.533
  130    HB3  ASN  21           HB3      ASN  21   0.823 -12.831  -2.036
  131   HD21  ASN  21          HD22      ASN  21  -1.128 -11.969  -2.084
  132   HD22  ASN  21          HD21      ASN  21  -1.663 -10.628  -1.138
  133    HA   PRO  22           HA       PRO  22   4.822 -13.509   2.270
  134    HB3  PRO  22           HB3      PRO  22   6.163 -14.816   0.940
  135    HG3  PRO  22           HG3      PRO  22   5.944 -14.790  -1.377
  136    HD3  PRO  22           HD3      PRO  22   3.742 -15.102  -0.774
  137    H    CYS  23           H        CYS  23   3.896 -11.252  -0.130
  138    HA   CYS  23           HA       CYS  23   5.714  -9.199   0.087
  139    HB3  CYS  23           HB3      CYS  23   2.845  -8.427   0.115
  140    H    LEU  24           H        LEU  24   6.065  -7.496   1.468
  141    HA   LEU  24           HA       LEU  24   5.282  -7.909   4.205
  142    HB3  LEU  24           HB3      LEU  24   6.865  -5.674   2.940
  143    HG   LEU  24           HG       LEU  24   7.964  -5.667   5.290
  144   HD11  LEU  24          HD11      LEU  24   5.228  -4.443   5.102
  145   HD12  LEU  24          HD12      LEU  24   6.584  -3.866   4.132
  146   HD13  LEU  24          HD13      LEU  24   6.671  -3.806   5.893
  147   HD21  LEU  24          HD21      LEU  24   6.781  -6.440   7.089
  148   HD22  LEU  24          HD22      LEU  24   6.345  -7.655   5.887
  149   HD23  LEU  24          HD23      LEU  24   5.229  -6.340   6.255
  150    H    ARG  25           H        ARG  25   3.168  -7.467   4.568
  151    HA   ARG  25           HA       ARG  25   1.566  -5.570   3.386
  152    HB3  ARG  25           HB3      ARG  25   0.669  -5.629   6.013
  153    HG3  ARG  25           HG3      ARG  25  -0.371  -6.354   3.664
  154    HD3  ARG  25           HD3      ARG  25   0.893  -8.510   3.713
  155    HE   ARG  25           HE       ARG  25  -0.320  -8.819   6.270
  156   HH11  ARG  25          HH11      ARG  25   0.713 -10.562   3.439
  157   HH12  ARG  25          HH12      ARG  25   0.959 -12.053   4.286
  158   HH21  ARG  25          HH22      ARG  25  -0.001 -10.776   7.398
  159   HH22  ARG  25          HH21      ARG  25   0.552 -12.173   6.538
  160    H    LEU  26           H        LEU  26   1.462  -3.421   3.408
  161    HA   LEU  26           HA       LEU  26   3.182  -1.964   5.275
  162    HB3  LEU  26           HB3      LEU  26   2.452  -0.027   3.676
  163    HG   LEU  26           HG       LEU  26   4.547  -2.034   3.297
  164   HD11  LEU  26          HD11      LEU  26   3.185  -1.751   1.044
  165   HD12  LEU  26          HD12      LEU  26   4.945  -1.846   1.066
  166   HD13  LEU  26          HD13      LEU  26   4.149  -0.278   0.939
  167   HD21  LEU  26          HD21      LEU  26   5.282  -0.120   4.330
  168   HD22  LEU  26          HD22      LEU  26   4.251   0.932   3.360
  169   HD23  LEU  26          HD23      LEU  26   5.703   0.225   2.652
  170    H    ARG  27           H        ARG  27   0.109  -1.075   3.720
  171    HA   ARG  27           HA       ARG  27  -1.255  -0.853   6.245
  172    HB3  ARG  27           HB3      ARG  27  -1.774   1.656   5.632
  173    HG3  ARG  27           HG3      ARG  27  -0.170   0.505   7.527
  174    HD3  ARG  27           HD3      ARG  27   1.435   2.769   6.399
  175    HE   ARG  27           HE       ARG  27   2.777   0.759   7.900
  176   HH11  ARG  27          HH11      ARG  27   0.697   3.534   8.195
  177   HH12  ARG  27          HH12      ARG  27   1.223   3.923   9.799
  178   HH21  ARG  27          HH22      ARG  27   3.480   1.261  10.013
  179   HH22  ARG  27          HH21      ARG  27   2.808   2.630  10.831
  180    H    GLY  28           H        GLY  28  -3.405   0.590   5.690
  181    HA2  GLY  28           HA2      GLY  28  -4.663  -0.937   3.553
  182    HA3  GLY  28           HA3      GLY  28  -5.483   0.056   4.748
  183    H    ALA  29           H        ALA  29  -2.852   0.909   2.526
  184    HA   ALA  29           HA       ALA  29  -4.440   3.182   1.608
  185    HB1  ALA  29           HB1      ALA  29  -2.183   3.705   0.424
  186    HB2  ALA  29           HB2      ALA  29  -2.335   3.940   2.166
  187    HB3  ALA  29           HB3      ALA  29  -1.532   2.501   1.537
  188    H    CYS  30           H        CYS  30  -5.260   0.610   0.724
  189    HA   CYS  30           HA       CYS  30  -4.859   0.951  -2.164
  190    HB3  CYS  30           HB3      CYS  30  -5.090  -1.706  -2.115
  191    HA   PRO  31           HA       PRO  31  -9.200   0.490  -2.579
  192    HB3  PRO  31           HB3      PRO  31  -8.920   0.694  -4.851
  193    HG3  PRO  31           HG3      PRO  31  -7.114  -0.294  -5.931
  194    HD3  PRO  31           HD3      PRO  31  -6.010   0.792  -4.223
  195    H    ARG  32           H        ARG  32 -10.994  -0.965  -2.451
  196    HA   ARG  32           HA       ARG  32 -10.731  -3.067  -0.693
  197    HB3  ARG  32           HB3      ARG  32 -12.991  -3.662  -1.218
  198    HG3  ARG  32           HG3      ARG  32 -12.339  -1.093  -0.577
  199    HD3  ARG  32           HD3      ARG  32 -13.772  -1.124  -3.172
  200    HE   ARG  32           HE       ARG  32 -15.103   0.040  -1.090
  201   HH11  ARG  32          HH11      ARG  32 -13.546   1.197  -3.979
  202   HH12  ARG  32          HH12      ARG  32 -14.598   2.561  -4.157
  203   HH21  ARG  32          HH22      ARG  32 -16.496   1.832  -1.314
  204   HH22  ARG  32          HH21      ARG  32 -16.275   2.923  -2.640
  205    H    GLY  33           H        GLY  33 -10.617  -5.300  -0.857
  206    HA2  GLY  33           HA2      GLY  33 -10.527  -7.354  -2.041
  207    HA3  GLY  33           HA3      GLY  33 -10.234  -6.457  -3.523
  208    H    SER  34           H        SER  34  -8.195  -4.817  -1.957
  209    HA   SER  34           HA       SER  34  -6.092  -6.770  -1.497
  210    HB3  SER  34           HB3      SER  34  -5.241  -6.577  -3.569
  211    HG   SER  34           HG       SER  34  -6.796  -4.237  -3.969
  212    H    ARG  35           H        ARG  35  -4.092  -5.742  -0.677
  213    HA   ARG  35           HA       ARG  35  -4.599  -3.127   0.571
  214    HB3  ARG  35           HB3      ARG  35  -3.639  -3.887   2.652
  215    HG3  ARG  35           HG3      ARG  35  -5.978  -5.209   1.558
  216    HD3  ARG  35           HD3      ARG  35  -4.325  -7.059   2.543
  217    HE   ARG  35           HE       ARG  35  -4.138  -6.825   4.798
  218   HH11  ARG  35          HH11      ARG  35  -7.317  -5.773   3.848
  219   HH12  ARG  35          HH12      ARG  35  -7.850  -5.487   5.472
  220   HH21  ARG  35          HH22      ARG  35  -4.827  -6.450   6.940
  221   HH22  ARG  35          HH21      ARG  35  -6.433  -5.872   7.230
  222    H    CYS  36           H        CYS  36  -2.655  -1.977   1.222
  223    HA   CYS  36           HA       CYS  36  -0.677  -1.997  -0.795
  224    HB3  CYS  36           HB3      CYS  36  -0.393  -0.691   1.911
  225    H    CYS  37           H        CYS  37   1.046  -3.249  -1.013
  226    HA   CYS  37           HA       CYS  37   2.218  -4.472   1.397
  227    HB3  CYS  37           HB3      CYS  37   0.876  -5.942  -0.365
  228    H    MET  38           H        MET  38   4.502  -5.073   1.169
  229    HA   MET  38           HA       MET  38   5.913  -3.146  -0.545
  230    HB3  MET  38           HB3      MET  38   7.527  -4.412   1.519
  231    HG3  MET  38           HG3      MET  38   7.610  -1.900   2.235
  232    HE1  MET  38           HE1      MET  38   9.687  -0.405   1.571
  233    HE2  MET  38           HE2      MET  38  10.065  -1.807   2.570
  234    HE3  MET  38           HE3      MET  38  11.117  -1.378   1.220
  235    HA   PRO  39           HA       PRO  39   7.176  -6.778  -2.832
  236    HB3  PRO  39           HB3      PRO  39   6.769  -5.550  -4.730
  237    HG3  PRO  39           HG3      PRO  39   6.992  -3.235  -4.732
  238    HD3  PRO  39           HD3      PRO  39   5.673  -3.505  -2.861
  239    H    THR  40           H        THR  40   9.432  -7.278  -3.950
  240    HA   THR  40           HA       THR  40  11.474  -6.810  -1.883
  241    HB   THR  40           HB       THR  40  12.478  -8.876  -2.445
  242    HG1  THR  40           HG1      THR  40  12.420  -9.569  -4.436
  243   HG21  THR  40          HG21      THR  40   9.829  -9.984  -2.869
  244   HG22  THR  40          HG22      THR  40   9.834  -8.749  -1.611
  245   HG23  THR  40          HG23      THR  40  10.906 -10.142  -1.482
  246    H    VAL  41           H        VAL  41  10.893  -4.953  -4.056
  247    HA   VAL  41           HA       VAL  41  12.854  -5.206  -6.098
  248    HB   VAL  41           HB       VAL  41  12.349  -2.884  -6.647
  249   HG11  VAL  41          HG11      VAL  41  10.092  -4.755  -6.067
  250   HG12  VAL  41          HG12      VAL  41   9.766  -3.152  -6.729
  251   HG13  VAL  41          HG13      VAL  41  10.786  -4.284  -7.617
  252   HG21  VAL  41          HG21      VAL  41  11.714  -1.410  -5.111
  253   HG22  VAL  41          HG22      VAL  41  10.257  -2.346  -4.777
  254   HG23  VAL  41          HG23      VAL  41  11.748  -2.690  -3.898
  255    H    ALA  42           H        ALA  42  14.365  -3.130  -6.369
  256    HA   ALA  42           HA       ALA  42  15.730  -2.555  -3.842
  257    HB1  ALA  42           HB1      ALA  42  17.369  -3.986  -4.302
  258    HB2  ALA  42           HB2      ALA  42  16.731  -4.299  -5.918
  259    HB3  ALA  42           HB3      ALA  42  17.812  -2.933  -5.644
  260    H    ALA  43           H        ALA  43  15.874  -0.423  -3.693
  261    HA   ALA  43           HA       ALA  43  16.155   1.776  -4.210
  262    HB1  ALA  43           HB1      ALA  43  17.867   2.350  -5.669
  263    HB2  ALA  43           HB2      ALA  43  18.298   0.712  -5.175
  264    HB3  ALA  43           HB3      ALA  43  17.540   0.990  -6.744
  265    H    HIS  44           H        HIS  44  15.907   3.387  -6.210
  266    HA   HIS  44           HA       HIS  44  14.441   4.365  -7.649
  267    HB3  HIS  44           HB3      HIS  44  13.269   2.163  -8.992
  268    HD1  HIS  44           HD1      HIS  44  12.854   4.189 -10.573
  269    HD2  HIS  44           HD2      HIS  44  16.851   3.147 -10.116
  270    HE1  HIS  44           HE1      HIS  44  14.078   5.398 -12.407
  Start of MODEL    6
    1    H1   ARG   1           H1       ARG   1  -9.037   4.821  -6.277
    2    HA   ARG   1           HA       ARG   1  -9.095   7.166  -5.925
    3    HB3  ARG   1           HB3      ARG   1  -9.200   7.922  -3.460
    4    HG3  ARG   1           HG3      ARG   1 -11.313   7.160  -5.251
    5    HD3  ARG   1           HD3      ARG   1 -11.649   6.525  -2.378
    6    HE   ARG   1           HE       ARG   1 -13.375   8.020  -2.220
    7   HH11  ARG   1          HH11      ARG   1 -13.435   6.534  -5.368
    8   HH12  ARG   1          HH12      ARG   1 -14.959   7.229  -5.811
    9   HH21  ARG   1          HH22      ARG   1 -15.382   8.940  -2.791
   10   HH22  ARG   1          HH21      ARG   1 -16.066   8.599  -4.345
   11    H    ARG   2           H        ARG   2  -7.049   7.541  -6.508
   12    HA   ARG   2           HA       ARG   2  -4.954   7.130  -4.484
   13    HB3  ARG   2           HB3      ARG   2  -4.699   5.376  -6.140
   14    HG3  ARG   2           HG3      ARG   2  -3.841   6.645  -8.452
   15    HD3  ARG   2           HD3      ARG   2  -6.296   5.096  -7.701
   16    HE   ARG   2           HE       ARG   2  -6.331   6.662  -9.921
   17   HH11  ARG   2          HH11      ARG   2  -6.200   3.227  -9.375
   18   HH12  ARG   2          HH12      ARG   2  -7.043   2.830 -10.836
   19   HH21  ARG   2          HH22      ARG   2  -7.441   6.153 -11.848
   20   HH22  ARG   2          HH21      ARG   2  -7.747   4.496 -12.242
   21    H    ARG   3           H        ARG   3  -3.087   8.538  -4.730
   22    HA   ARG   3           HA       ARG   3  -2.147  10.600  -4.920
   23    HB3  ARG   3           HB3      ARG   3  -2.822  11.800  -7.173
   24    HG3  ARG   3           HG3      ARG   3  -1.501   9.372  -8.003
   25    HD3  ARG   3           HD3      ARG   3  -0.783  12.271  -7.699
   26    HE   ARG   3           HE       ARG   3   1.163  10.738  -9.103
   27   HH11  ARG   3          HH11      ARG   3   0.185  11.767  -5.925
   28   HH12  ARG   3          HH12      ARG   3   1.778  11.654  -5.256
   29   HH21  ARG   3          HH22      ARG   3   3.266  10.587  -8.234
   30   HH22  ARG   3          HH21      ARG   3   3.531  10.984  -6.571
   31    H    ARG   4           H        ARG   4  -3.286  11.455  -3.141
   32    HA   ARG   4           HA       ARG   4  -5.199  13.533  -3.889
   33    HB3  ARG   4           HB3      ARG   4  -6.155  12.600  -1.439
   34    HG3  ARG   4           HG3      ARG   4  -7.584  11.495  -3.719
   35    HD3  ARG   4           HD3      ARG   4  -8.077  13.183  -1.343
   36    HE   ARG   4           HE       ARG   4 -10.316  13.287  -3.108
   37   HH11  ARG   4          HH11      ARG   4  -7.347  14.885  -2.243
   38   HH12  ARG   4          HH12      ARG   4  -7.868  16.440  -2.802
   39   HH21  ARG   4          HH22      ARG   4 -11.014  15.330  -3.847
   40   HH22  ARG   4          HH21      ARG   4  -9.955  16.692  -3.713
   41    H    ARG   5           H        ARG   5  -3.603  12.095  -1.038
   42    HA   ARG   5           HA       ARG   5  -2.645  14.788  -0.335
   43    HB3  ARG   5           HB3      ARG   5  -3.342  12.805   1.798
   44    HG3  ARG   5           HG3      ARG   5  -2.151  15.050   2.197
   45    HD3  ARG   5           HD3      ARG   5  -4.934  15.910   1.500
   46    HE   ARG   5           HE       ARG   5  -3.466  16.937   3.715
   47   HH11  ARG   5          HH11      ARG   5  -5.497  17.861   1.041
   48   HH12  ARG   5          HH12      ARG   5  -6.074  19.303   1.809
   49   HH21  ARG   5          HH22      ARG   5  -4.219  18.832   4.735
   50   HH22  ARG   5          HH21      ARG   5  -5.346  19.854   3.910
   51    H    ARG   6           H        ARG   6  -1.327  12.618  -1.762
   52    HA   ARG   6           HA       ARG   6   0.698  11.584  -1.844
   53    HB3  ARG   6           HB3      ARG   6   2.506  12.540  -0.625
   54    HG3  ARG   6           HG3      ARG   6   0.790  14.952  -0.615
   55    HD3  ARG   6           HD3      ARG   6   3.530  14.173  -1.536
   56    HE   ARG   6           HE       ARG   6   2.035  15.973  -2.987
   57   HH11  ARG   6          HH11      ARG   6   4.960  16.053  -1.100
   58   HH12  ARG   6          HH12      ARG   6   5.679  17.326  -2.028
   59   HH21  ARG   6          HH22      ARG   6   2.971  17.650  -4.217
   60   HH22  ARG   6          HH21      ARG   6   4.546  18.234  -3.800
   61    HA   PRO   7           HA       PRO   7  -0.695   8.719   1.561
   62    HB3  PRO   7           HB3      PRO   7  -2.397   7.856   0.280
   63    HG3  PRO   7           HG3      PRO   7  -2.344   8.001  -2.040
   64    HD3  PRO   7           HD3      PRO   7  -1.899  10.196  -1.495
   65    HA   PRO   8           HA       PRO   8   3.075   6.478   1.887
   66    HB3  PRO   8           HB3      PRO   8   2.264   5.536   3.818
   67    HG3  PRO   8           HG3      PRO   8   0.035   4.896   3.995
   68    HD3  PRO   8           HD3      PRO   8  -0.232   7.041   3.197
   69    H    CYS   9           H        CYS   9   0.546   4.361   0.516
   70    HA   CYS   9           HA       CYS   9   2.213   2.571  -0.798
   71    HB3  CYS   9           HB3      CYS   9  -0.245   3.210  -2.267
   72    H    GLU  10           H        GLU  10   1.383   5.830  -1.599
   73    HA   GLU  10           HA       GLU  10   2.178   5.635  -4.364
   74    HB3  GLU  10           HB3      GLU  10   1.581   8.020  -2.608
   75    HG3  GLU  10           HG3      GLU  10   2.991   8.771  -4.409
   76    H    ASP  11           H        ASP  11   3.472   7.425  -1.560
   77    HA   ASP  11           HA       ASP  11   5.833   8.299  -2.686
   78    HB3  ASP  11           HB3      ASP  11   6.488   7.648  -0.035
   79    H    VAL  12           H        VAL  12   5.446   5.361  -0.695
   80    HA   VAL  12           HA       VAL  12   8.047   4.381  -1.366
   81    HB   VAL  12           HB       VAL  12   7.469   2.401  -0.129
   82   HG11  VAL  12          HG11      VAL  12   6.419   4.943   1.094
   83   HG12  VAL  12          HG12      VAL  12   6.619   3.445   2.004
   84   HG13  VAL  12          HG13      VAL  12   8.022   4.228   1.277
   85   HG21  VAL  12          HG21      VAL  12   4.841   2.850   0.764
   86   HG22  VAL  12          HG22      VAL  12   4.811   3.043  -0.989
   87   HG23  VAL  12          HG23      VAL  12   5.421   1.549  -0.278
   88    H    ASN  13           H        ASN  13   5.087   4.389  -2.984
   89    HA   ASN  13           HA       ASN  13   4.260   3.303  -4.808
   90    HB3  ASN  13           HB3      ASN  13   5.963   2.655  -6.516
   91   HD21  ASN  13          HD22      ASN  13   7.903   4.991  -4.982
   92   HD22  ASN  13          HD21      ASN  13   7.274   6.384  -5.787
   93    H    GLY  14           H        GLY  14   3.511   1.670  -3.163
   94    HA2  GLY  14           HA2      GLY  14   4.925  -0.889  -3.319
   95    HA3  GLY  14           HA3      GLY  14   3.604  -0.501  -2.227
   96    H    GLN  15           H        GLN  15   3.008  -2.731  -3.082
   97    HA   GLN  15           HA       GLN  15   1.379  -2.413  -5.515
   98    HB3  GLN  15           HB3      GLN  15   1.703  -4.786  -5.975
   99    HG3  GLN  15           HG3      GLN  15   4.505  -4.051  -5.455
  100   HE21  GLN  15          HE22      GLN  15   5.716  -5.221  -6.761
  101   HE22  GLN  15          HE21      GLN  15   5.187  -6.005  -8.208
  102    H    CYS  16           H        CYS  16  -0.730  -2.976  -5.413
  103    HA   CYS  16           HA       CYS  16  -1.849  -3.475  -2.799
  104    HB3  CYS  16           HB3      CYS  16  -4.036  -3.321  -4.025
  105    H    GLN  17           H        GLN  17  -1.357  -5.548  -2.189
  106    HA   GLN  17           HA       GLN  17  -2.381  -7.703  -3.917
  107    HB3  GLN  17           HB3      GLN  17  -0.693  -9.120  -3.182
  108    HG3  GLN  17           HG3      GLN  17   0.984  -6.741  -2.695
  109   HE21  GLN  17          HE22      GLN  17   1.488  -9.417  -2.245
  110   HE22  GLN  17          HE21      GLN  17   2.624  -9.986  -3.415
  111    HA   PRO  18           HA       PRO  18  -5.317  -8.857  -0.869
  112    HB3  PRO  18           HB3      PRO  18  -6.033 -10.478  -2.332
  113    HG3  PRO  18           HG3      PRO  18  -4.524 -11.652  -3.656
  114    HD3  PRO  18           HD3      PRO  18  -3.842  -9.493  -4.093
  115    H    ARG  19           H        ARG  19  -5.588 -10.807   0.851
  116    HA   ARG  19           HA       ARG  19  -3.273 -10.529   2.610
  117    HB3  ARG  19           HB3      ARG  19  -4.714 -11.029   4.411
  118    HG3  ARG  19           HG3      ARG  19  -5.343  -8.929   2.822
  119    HD3  ARG  19           HD3      ARG  19  -7.418 -10.826   2.411
  120    HE   ARG  19           HE       ARG  19  -8.166  -9.021   4.443
  121   HH11  ARG  19          HH11      ARG  19  -9.298 -10.321   1.419
  122   HH12  ARG  19          HH12      ARG  19 -10.974 -10.128   1.813
  123   HH21  ARG  19          HH22      ARG  19 -10.369  -8.762   4.973
  124   HH22  ARG  19          HH21      ARG  19 -11.582  -9.240   3.835
  125    H    GLY  20           H        GLY  20  -2.333 -12.134   0.880
  126    HA2  GLY  20           HA2      GLY  20  -2.075 -14.651   2.208
  127    HA3  GLY  20           HA3      GLY  20  -3.011 -14.797   0.728
  128    H    ASN  21           H        ASN  21  -0.389 -12.508   1.140
  129    HA   ASN  21           HA       ASN  21   1.213 -14.100  -0.754
  130    HB3  ASN  21           HB3      ASN  21   0.893 -12.327  -2.121
  131   HD21  ASN  21          HD22      ASN  21  -1.089 -11.481  -2.180
  132   HD22  ASN  21          HD21      ASN  21  -1.636 -10.168  -1.199
  133    HA   PRO  22           HA       PRO  22   4.413 -14.095   2.270
  134    HB3  PRO  22           HB3      PRO  22   5.362 -15.793   1.049
  135    HG3  PRO  22           HG3      PRO  22   5.212 -15.830  -1.272
  136    HD3  PRO  22           HD3      PRO  22   2.997 -15.483  -0.736
  137    H    CYS  23           H        CYS  23   4.063 -11.726  -0.108
  138    HA   CYS  23           HA       CYS  23   6.446 -10.274   0.088
  139    HB3  CYS  23           HB3      CYS  23   4.511  -9.941  -1.550
  140    H    LEU  24           H        LEU  24   5.868  -7.732   0.893
  141    HA   LEU  24           HA       LEU  24   5.600  -8.074   3.798
  142    HB3  LEU  24           HB3      LEU  24   6.908  -5.899   2.173
  143    HG   LEU  24           HG       LEU  24   6.078  -4.958   4.302
  144   HD11  LEU  24          HD11      LEU  24   6.150  -6.116   6.188
  145   HD12  LEU  24          HD12      LEU  24   7.907  -6.223   6.084
  146   HD13  LEU  24          HD13      LEU  24   6.902  -7.457   5.324
  147   HD21  LEU  24          HD21      LEU  24   8.993  -5.250   3.731
  148   HD22  LEU  24          HD22      LEU  24   8.469  -4.380   5.174
  149   HD23  LEU  24          HD23      LEU  24   7.953  -3.834   3.579
  150    H    ARG  25           H        ARG  25   4.494  -6.422   5.023
  151    HA   ARG  25           HA       ARG  25   2.195  -5.356   3.548
  152    HB3  ARG  25           HB3      ARG  25   2.617  -5.806   6.507
  153    HG3  ARG  25           HG3      ARG  25  -0.002  -5.570   6.367
  154    HD3  ARG  25           HD3      ARG  25   0.614  -2.919   6.578
  155    HE   ARG  25           HE       ARG  25   0.223  -5.001   8.421
  156   HH11  ARG  25          HH11      ARG  25   1.669  -1.841   8.209
  157   HH12  ARG  25          HH12      ARG  25   1.437  -1.480   9.888
  158   HH21  ARG  25          HH22      ARG  25  -0.088  -4.536  10.633
  159   HH22  ARG  25          HH21      ARG  25   0.438  -3.014  11.264
  160    H    LEU  26           H        LEU  26   1.464  -3.212   3.898
  161    HA   LEU  26           HA       LEU  26   3.482  -1.386   5.022
  162    HB3  LEU  26           HB3      LEU  26   2.185   0.067   3.058
  163    HG   LEU  26           HG       LEU  26   4.872  -1.266   3.034
  164   HD11  LEU  26          HD11      LEU  26   4.085  -1.254   0.724
  165   HD12  LEU  26          HD12      LEU  26   5.383  -0.083   0.964
  166   HD13  LEU  26          HD13      LEU  26   3.711   0.465   0.856
  167   HD21  LEU  26          HD21      LEU  26   3.763   1.421   3.601
  168   HD22  LEU  26          HD22      LEU  26   5.330   1.349   2.794
  169   HD23  LEU  26          HD23      LEU  26   5.105   0.562   4.358
  170    H    ARG  27           H        ARG  27   0.275  -0.911   3.563
  171    HA   ARG  27           HA       ARG  27  -0.951  -0.341   6.103
  172    HB3  ARG  27           HB3      ARG  27  -1.632   2.015   5.131
  173    HG3  ARG  27           HG3      ARG  27   0.126   1.249   7.087
  174    HD3  ARG  27           HD3      ARG  27   1.546   3.396   5.563
  175    HE   ARG  27           HE       ARG  27   2.066   1.996   7.978
  176   HH11  ARG  27          HH11      ARG  27   3.625   3.391   5.196
  177   HH12  ARG  27          HH12      ARG  27   5.121   3.687   6.020
  178   HH21  ARG  27          HH22      ARG  27   4.029   2.380   9.074
  179   HH22  ARG  27          HH21      ARG  27   5.349   3.110   8.225
  180    H    GLY  28           H        GLY  28  -3.193   0.931   5.448
  181    HA2  GLY  28           HA2      GLY  28  -4.489  -0.974   3.659
  182    HA3  GLY  28           HA3      GLY  28  -5.293   0.146   4.748
  183    H    ALA  29           H        ALA  29  -2.780   1.351   2.709
  184    HA   ALA  29           HA       ALA  29  -4.607   3.147   1.416
  185    HB1  ALA  29           HB1      ALA  29  -1.659   2.763   1.444
  186    HB2  ALA  29           HB2      ALA  29  -2.376   3.673   0.112
  187    HB3  ALA  29           HB3      ALA  29  -2.615   4.207   1.776
  188    H    CYS  30           H        CYS  30  -5.694   0.956   0.635
  189    HA   CYS  30           HA       CYS  30  -5.147   0.824  -2.200
  190    HB3  CYS  30           HB3      CYS  30  -5.279  -1.823  -1.887
  191    HA   PRO  31           HA       PRO  31  -9.473   0.169  -2.510
  192    HB3  PRO  31           HB3      PRO  31  -9.224   0.170  -4.795
  193    HG3  PRO  31           HG3      PRO  31  -7.392  -0.848  -5.802
  194    HD3  PRO  31           HD3      PRO  31  -6.313   0.432  -4.218
  195    H    ARG  32           H        ARG  32 -11.208  -1.333  -2.222
  196    HA   ARG  32           HA       ARG  32 -10.838  -3.256  -0.284
  197    HB3  ARG  32           HB3      ARG  32 -13.088  -3.963  -0.695
  198    HG3  ARG  32           HG3      ARG  32 -12.508  -1.325  -0.317
  199    HD3  ARG  32           HD3      ARG  32 -13.993  -1.647  -2.863
  200    HE   ARG  32           HE       ARG  32 -15.048  -0.017  -0.753
  201   HH11  ARG  32          HH11      ARG  32 -14.602  -0.272  -4.196
  202   HH12  ARG  32          HH12      ARG  32 -15.945   0.754  -4.578
  203   HH21  ARG  32          HH22      ARG  32 -16.818   1.334  -1.241
  204   HH22  ARG  32          HH21      ARG  32 -17.204   1.668  -2.896
  205    H    GLY  33           H        GLY  33 -10.680  -5.499  -0.258
  206    HA2  GLY  33           HA2      GLY  33 -10.393  -7.639  -1.144
  207    HA3  GLY  33           HA3      GLY  33 -10.463  -6.954  -2.761
  208    H    SER  34           H        SER  34  -8.370  -4.981  -1.363
  209    HA   SER  34           HA       SER  34  -6.029  -6.706  -1.426
  210    HB3  SER  34           HB3      SER  34  -4.886  -5.448  -3.152
  211    HG   SER  34           HG       SER  34  -6.327  -5.899  -4.931
  212    H    ARG  35           H        ARG  35  -4.078  -5.617  -0.697
  213    HA   ARG  35           HA       ARG  35  -4.559  -3.094   0.727
  214    HB3  ARG  35           HB3      ARG  35  -4.794  -5.117   2.243
  215    HG3  ARG  35           HG3      ARG  35  -1.846  -5.243   2.432
  216    HD3  ARG  35           HD3      ARG  35  -3.231  -7.741   2.516
  217    HE   ARG  35           HE       ARG  35  -1.529  -6.239   4.293
  218   HH11  ARG  35          HH11      ARG  35  -3.520  -9.071   3.913
  219   HH12  ARG  35          HH12      ARG  35  -2.717  -9.963   5.163
  220   HH21  ARG  35          HH22      ARG  35  -0.464  -7.405   5.939
  221   HH22  ARG  35          HH21      ARG  35  -0.978  -9.014   6.315
  222    H    CYS  36           H        CYS  36  -2.604  -1.939   1.299
  223    HA   CYS  36           HA       CYS  36  -0.699  -1.951  -0.806
  224    HB3  CYS  36           HB3      CYS  36  -0.510  -0.543   1.865
  225    H    CYS  37           H        CYS  37   0.765  -3.510  -1.031
  226    HA   CYS  37           HA       CYS  37   2.147  -4.491   1.381
  227    HB3  CYS  37           HB3      CYS  37   0.970  -5.875  -0.893
  228    H    MET  38           H        MET  38   4.292  -4.239   1.520
  229    HA   MET  38           HA       MET  38   5.650  -2.708  -0.497
  230    HB3  MET  38           HB3      MET  38   7.132  -3.971   1.760
  231    HG3  MET  38           HG3      MET  38   7.718  -1.402   1.950
  232    HE1  MET  38           HE1      MET  38   9.670  -0.357   0.940
  233    HE2  MET  38           HE2      MET  38  10.702  -1.387   1.931
  234    HE3  MET  38           HE3      MET  38  11.040  -1.195   0.211
  235    HA   PRO  39           HA       PRO  39   7.236  -6.133  -2.796
  236    HB3  PRO  39           HB3      PRO  39   7.413  -4.662  -4.553
  237    HG3  PRO  39           HG3      PRO  39   7.910  -2.419  -4.193
  238    HD3  PRO  39           HD3      PRO  39   6.185  -2.689  -2.689
  239    H    THR  40           H        THR  40   9.703  -6.674  -3.552
  240    HA   THR  40           HA       THR  40  11.231  -6.816  -1.036
  241    HB   THR  40           HB       THR  40  11.588  -8.700  -3.359
  242    HG1  THR  40           HG1      THR  40   9.392  -8.788  -2.617
  243   HG21  THR  40          HG21      THR  40  12.666  -8.415  -0.662
  244   HG22  THR  40          HG22      THR  40  13.281  -9.337  -2.035
  245   HG23  THR  40          HG23      THR  40  12.043 -10.033  -0.990
  246    H    VAL  41           H        VAL  41  11.512  -4.533  -2.563
  247    HA   VAL  41           HA       VAL  41  13.895  -4.842  -4.204
  248    HB   VAL  41           HB       VAL  41  13.662  -2.491  -4.727
  249   HG11  VAL  41          HG11      VAL  41  12.172  -3.101  -6.253
  250   HG12  VAL  41          HG12      VAL  41  11.690  -4.468  -5.245
  251   HG13  VAL  41          HG13      VAL  41  10.876  -2.911  -5.072
  252   HG21  VAL  41          HG21      VAL  41  13.011  -1.398  -2.795
  253   HG22  VAL  41          HG22      VAL  41  11.532  -1.354  -3.755
  254   HG23  VAL  41          HG23      VAL  41  11.708  -2.539  -2.462
  255    H    ALA  42           H        ALA  42  15.489  -2.843  -3.836
  256    HA   ALA  42           HA       ALA  42  15.996  -2.364  -1.013
  257    HB1  ALA  42           HB1      ALA  42  17.998  -3.464  -0.822
  258    HB2  ALA  42           HB2      ALA  42  17.120  -4.571  -1.878
  259    HB3  ALA  42           HB3      ALA  42  18.299  -3.451  -2.561
  260    H    ALA  43           H        ALA  43  16.834  -0.395  -0.686
  261    HA   ALA  43           HA       ALA  43  17.678   1.132  -3.047
  262    HB1  ALA  43           HB1      ALA  43  16.642   2.909  -2.178
  263    HB2  ALA  43           HB2      ALA  43  15.875   1.761  -1.078
  264    HB3  ALA  43           HB3      ALA  43  17.322   2.635  -0.574
  265    H    HIS  44           H        HIS  44  19.388   2.815  -2.629
  266    HA   HIS  44           HA       HIS  44  21.371   1.978  -0.644
  267    HB3  HIS  44           HB3      HIS  44  22.673   2.703  -3.128
  268    HD1  HIS  44           HD1      HIS  44  22.982  -0.703  -3.306
  269    HD2  HIS  44           HD2      HIS  44  24.124   2.024  -0.388
  270    HE1  HIS  44           HE1      HIS  44  24.803  -1.843  -1.995
  Start of MODEL    7
    1    H1   ARG   1           H1       ARG   1  -3.700   4.683 -10.553
    2    HA   ARG   1           HA       ARG   1  -2.181   6.381 -10.129
    3    HB3  ARG   1           HB3      ARG   1  -2.383   8.566 -11.236
    4    HG3  ARG   1           HG3      ARG   1  -2.870   6.435 -13.297
    5    HD3  ARG   1           HD3      ARG   1  -1.680   9.153 -13.259
    6    HE   ARG   1           HE       ARG   1  -0.713   7.569 -15.446
    7   HH11  ARG   1          HH11      ARG   1  -0.034   8.694 -12.223
    8   HH12  ARG   1          HH12      ARG   1   1.683   8.533 -12.388
    9   HH21  ARG   1          HH22      ARG   1   1.546   7.352 -15.676
   10   HH22  ARG   1          HH21      ARG   1   2.581   7.770 -14.352
   11    H    ARG   2           H        ARG   2  -2.417   6.826  -8.040
   12    HA   ARG   2           HA       ARG   2  -4.807   8.323  -7.186
   13    HB3  ARG   2           HB3      ARG   2  -3.097   6.628  -5.379
   14    HG3  ARG   2           HG3      ARG   2  -5.696   8.009  -5.138
   15    HD3  ARG   2           HD3      ARG   2  -5.234   5.190  -4.346
   16    HE   ARG   2           HE       ARG   2  -5.789   7.014  -2.329
   17   HH11  ARG   2          HH11      ARG   2  -7.233   4.167  -3.719
   18   HH12  ARG   2          HH12      ARG   2  -8.005   3.682  -2.246
   19   HH21  ARG   2          HH22      ARG   2  -6.800   6.384  -0.385
   20   HH22  ARG   2          HH21      ARG   2  -7.759   4.944  -0.350
   21    H    ARG   3           H        ARG   3  -4.451   9.711  -5.243
   22    HA   ARG   3           HA       ARG   3  -1.893  10.564  -4.450
   23    HB3  ARG   3           HB3      ARG   3  -1.606  11.483  -6.635
   24    HG3  ARG   3           HG3      ARG   3  -4.146  13.057  -6.341
   25    HD3  ARG   3           HD3      ARG   3  -3.025  12.476  -8.979
   26    HE   ARG   3           HE       ARG   3  -4.419  14.636  -7.738
   27   HH11  ARG   3          HH11      ARG   3  -2.314  13.798 -10.381
   28   HH12  ARG   3          HH12      ARG   3  -2.840  15.107 -11.387
   29   HH21  ARG   3          HH22      ARG   3  -5.119  16.363  -9.053
   30   HH22  ARG   3          HH21      ARG   3  -4.434  16.566 -10.629
   31    H    ARG   4           H        ARG   4  -3.913   9.967  -2.890
   32    HA   ARG   4           HA       ARG   4  -5.500  12.304  -2.245
   33    HB3  ARG   4           HB3      ARG   4  -5.857  10.477  -0.196
   34    HG3  ARG   4           HG3      ARG   4  -7.380  10.409  -2.786
   35    HD3  ARG   4           HD3      ARG   4  -7.871   9.522   0.011
   36    HE   ARG   4           HE       ARG   4  -9.732  11.177  -1.111
   37   HH11  ARG   4          HH11      ARG   4  -9.629   7.807  -0.243
   38   HH12  ARG   4          HH12      ARG   4 -11.328   7.707   0.089
   39   HH21  ARG   4          HH22      ARG   4 -11.969  11.057  -0.677
   40   HH22  ARG   4          HH21      ARG   4 -12.657   9.556  -0.159
   41    H    ARG   5           H        ARG   5  -4.050  13.855  -1.543
   42    HA   ARG   5           HA       ARG   5  -2.738  14.997  -0.079
   43    HB3  ARG   5           HB3      ARG   5  -3.366  13.021   2.078
   44    HG3  ARG   5           HG3      ARG   5  -2.299  15.567   2.091
   45    HD3  ARG   5           HD3      ARG   5  -4.782  16.228   1.681
   46    HE   ARG   5           HE       ARG   5  -6.162  15.503   3.340
   47   HH11  ARG   5          HH11      ARG   5  -3.088  16.334   4.747
   48   HH12  ARG   5          HH12      ARG   5  -3.608  16.052   6.374
   49   HH21  ARG   5          HH22      ARG   5  -6.861  15.130   5.479
   50   HH22  ARG   5          HH21      ARG   5  -5.756  15.366   6.791
   51    H    ARG   6           H        ARG   6  -1.520  12.940  -1.640
   52    HA   ARG   6           HA       ARG   6   0.422  11.770  -1.842
   53    HB3  ARG   6           HB3      ARG   6   1.445  13.222   0.581
   54    HG3  ARG   6           HG3      ARG   6   2.661  11.721  -1.485
   55    HD3  ARG   6           HD3      ARG   6   3.595  14.584  -1.437
   56    HE   ARG   6           HE       ARG   6   5.407  13.558  -2.363
   57   HH11  ARG   6          HH11      ARG   6   2.524  11.987  -3.522
   58   HH12  ARG   6          HH12      ARG   6   3.372  10.962  -4.634
   59   HH21  ARG   6          HH22      ARG   6   6.534  12.214  -3.822
   60   HH22  ARG   6          HH21      ARG   6   5.653  11.091  -4.801
   61    HA   PRO   7           HA       PRO   7  -0.828   8.942   1.646
   62    HB3  PRO   7           HB3      PRO   7  -2.634   8.132   0.479
   63    HG3  PRO   7           HG3      PRO   7  -2.727   8.281  -1.840
   64    HD3  PRO   7           HD3      PRO   7  -2.183  10.460  -1.326
   65    HA   PRO   8           HA       PRO   8   2.884   6.587   1.724
   66    HB3  PRO   8           HB3      PRO   8   2.172   5.662   3.703
   67    HG3  PRO   8           HG3      PRO   8  -0.059   5.088   4.024
   68    HD3  PRO   8           HD3      PRO   8  -0.312   7.244   3.247
   69    H    CYS   9           H        CYS   9   0.208   4.561   0.510
   70    HA   CYS   9           HA       CYS   9   1.709   2.705  -0.898
   71    HB3  CYS   9           HB3      CYS   9  -0.763   3.463  -2.270
   72    H    GLU  10           H        GLU  10   0.987   6.005  -1.668
   73    HA   GLU  10           HA       GLU  10   1.679   5.773  -4.457
   74    HB3  GLU  10           HB3      GLU  10   1.745   8.413  -4.072
   75    HG3  GLU  10           HG3      GLU  10  -0.665   8.540  -4.423
   76    H    ASP  11           H        ASP  11   3.136   7.450  -1.666
   77    HA   ASP  11           HA       ASP  11   5.469   8.315  -2.838
   78    HB3  ASP  11           HB3      ASP  11   6.453   8.322  -0.600
   79    H    VAL  12           H        VAL  12   5.109   5.274  -1.002
   80    HA   VAL  12           HA       VAL  12   7.639   4.276  -1.896
   81    HB   VAL  12           HB       VAL  12   7.099   2.250  -0.711
   82   HG11  VAL  12          HG11      VAL  12   5.914   3.765   1.356
   83   HG12  VAL  12          HG12      VAL  12   7.618   3.357   1.142
   84   HG13  VAL  12          HG13      VAL  12   6.975   4.850   0.458
   85   HG21  VAL  12          HG21      VAL  12   4.674   2.464   0.467
   86   HG22  VAL  12          HG22      VAL  12   4.340   3.190  -1.104
   87   HG23  VAL  12          HG23      VAL  12   4.979   1.549  -1.009
   88    H    ASN  13           H        ASN  13   4.553   4.401  -3.268
   89    HA   ASN  13           HA       ASN  13   3.561   3.404  -5.060
   90    HB3  ASN  13           HB3      ASN  13   5.145   2.797  -6.925
   91   HD21  ASN  13          HD22      ASN  13   6.989   5.241  -5.364
   92   HD22  ASN  13          HD21      ASN  13   6.270   6.596  -6.160
   93    H    GLY  14           H        GLY  14   4.027   1.714  -2.775
   94    HA2  GLY  14           HA2      GLY  14   5.061  -0.805  -3.403
   95    HA3  GLY  14           HA3      GLY  14   3.826  -0.496  -2.191
   96    H    GLN  15           H        GLN  15   3.325  -2.762  -3.111
   97    HA   GLN  15           HA       GLN  15   1.642  -2.547  -5.508
   98    HB3  GLN  15           HB3      GLN  15   1.692  -5.211  -4.896
   99    HG3  GLN  15           HG3      GLN  15   4.075  -4.426  -6.378
  100   HE21  GLN  15          HE22      GLN  15   4.551  -6.249  -7.351
  101   HE22  GLN  15          HE21      GLN  15   3.427  -7.385  -8.006
  102    H    CYS  16           H        CYS  16  -0.388  -3.850  -5.481
  103    HA   CYS  16           HA       CYS  16  -1.673  -3.695  -2.832
  104    HB3  CYS  16           HB3      CYS  16  -3.801  -3.277  -4.093
  105    H    GLN  17           H        GLN  17  -2.046  -5.651  -2.043
  106    HA   GLN  17           HA       GLN  17  -3.481  -7.609  -3.576
  107    HB3  GLN  17           HB3      GLN  17  -1.647  -8.632  -4.389
  108    HG3  GLN  17           HG3      GLN  17   0.037  -7.462  -2.186
  109   HE21  GLN  17          HE22      GLN  17   1.066  -9.513  -1.964
  110   HE22  GLN  17          HE21      GLN  17   2.203 -10.052  -3.149
  111    HA   PRO  18           HA       PRO  18  -4.911  -8.886   0.367
  112    HB3  PRO  18           HB3      PRO  18  -6.253 -10.415  -0.703
  113    HG3  PRO  18           HG3      PRO  18  -5.488 -11.588  -2.560
  114    HD3  PRO  18           HD3      PRO  18  -4.935  -9.442  -3.191
  115    H    ARG  19           H        ARG  19  -4.551 -10.888   2.004
  116    HA   ARG  19           HA       ARG  19  -1.777 -10.660   2.793
  117    HB3  ARG  19           HB3      ARG  19  -3.543 -10.436   4.473
  118    HG3  ARG  19           HG3      ARG  19  -4.126 -13.310   4.594
  119    HD3  ARG  19           HD3      ARG  19  -6.361 -11.486   4.594
  120    HE   ARG  19           HE       ARG  19  -5.638 -13.709   6.029
  121   HH11  ARG  19          HH11      ARG  19  -6.843 -10.529   6.777
  122   HH12  ARG  19          HH12      ARG  19  -7.674 -11.038   8.210
  123   HH21  ARG  19          HH22      ARG  19  -6.727 -14.391   7.914
  124   HH22  ARG  19          HH21      ARG  19  -7.606 -13.234   8.856
  125    H    GLY  20           H        GLY  20  -3.470 -12.708   0.807
  126    HA2  GLY  20           HA2      GLY  20  -2.164 -15.177   1.565
  127    HA3  GLY  20           HA3      GLY  20  -3.215 -14.932   0.178
  128    H    ASN  21           H        ASN  21  -0.124 -13.492   1.225
  129    HA   ASN  21           HA       ASN  21   1.307 -14.677  -0.960
  130    HB3  ASN  21           HB3      ASN  21   0.602 -13.064  -2.422
  131   HD21  ASN  21          HD22      ASN  21  -1.317 -12.127  -2.383
  132   HD22  ASN  21          HD21      ASN  21  -1.754 -10.765  -1.414
  133    HA   PRO  22           HA       PRO  22   4.742 -13.956   1.674
  134    HB3  PRO  22           HB3      PRO  22   6.004 -15.181   0.196
  135    HG3  PRO  22           HG3      PRO  22   5.672 -15.004  -2.099
  136    HD3  PRO  22           HD3      PRO  22   3.499 -15.343  -1.408
  137    H    CYS  23           H        CYS  23   3.932 -11.568  -0.718
  138    HA   CYS  23           HA       CYS  23   5.762  -9.562  -0.245
  139    HB3  CYS  23           HB3      CYS  23   2.866  -8.858  -0.541
  140    H    LEU  24           H        LEU  24   6.058  -7.993   1.268
  141    HA   LEU  24           HA       LEU  24   5.118  -8.462   3.894
  142    HB3  LEU  24           HB3      LEU  24   6.167  -5.783   3.187
  143    HG   LEU  24           HG       LEU  24   6.043  -7.136   5.565
  144   HD11  LEU  24          HD11      LEU  24   7.907  -8.597   4.584
  145   HD12  LEU  24          HD12      LEU  24   8.143  -7.923   6.197
  146   HD13  LEU  24          HD13      LEU  24   8.943  -7.185   4.809
  147   HD21  LEU  24          HD21      LEU  24   7.156  -4.700   4.515
  148   HD22  LEU  24          HD22      LEU  24   8.161  -5.330   5.820
  149   HD23  LEU  24          HD23      LEU  24   6.448  -5.019   6.099
  150    H    ARG  25           H        ARG  25   4.429  -6.162   5.061
  151    HA   ARG  25           HA       ARG  25   1.971  -5.322   3.667
  152    HB3  ARG  25           HB3      ARG  25   1.531  -6.826   5.594
  153    HG3  ARG  25           HG3      ARG  25   1.715  -5.638   7.872
  154    HD3  ARG  25           HD3      ARG  25   4.416  -6.340   7.516
  155    HE   ARG  25           HE       ARG  25   2.380  -7.240   9.075
  156   HH11  ARG  25          HH11      ARG  25   4.787  -8.784   7.089
  157   HH12  ARG  25          HH12      ARG  25   4.865 -10.212   8.066
  158   HH21  ARG  25          HH22      ARG  25   2.473  -9.115  10.369
  159   HH22  ARG  25          HH21      ARG  25   3.548 -10.401   9.931
  160    H    LEU  26           H        LEU  26   1.219  -3.179   4.115
  161    HA   LEU  26           HA       LEU  26   3.217  -1.378   5.294
  162    HB3  LEU  26           HB3      LEU  26   2.360   0.218   3.371
  163    HG   LEU  26           HG       LEU  26   4.505  -1.858   3.036
  164   HD11  LEU  26          HD11      LEU  26   4.840   0.241   1.172
  165   HD12  LEU  26          HD12      LEU  26   3.217  -0.413   0.954
  166   HD13  LEU  26          HD13      LEU  26   4.618  -1.480   0.858
  167   HD21  LEU  26          HD21      LEU  26   5.678   0.577   2.955
  168   HD22  LEU  26          HD22      LEU  26   5.453  -0.366   4.428
  169   HD23  LEU  26          HD23      LEU  26   4.306   0.908   4.014
  170    H    ARG  27           H        ARG  27   0.105  -0.904   3.631
  171    HA   ARG  27           HA       ARG  27  -1.263  -0.290   6.085
  172    HB3  ARG  27           HB3      ARG  27  -1.880   2.051   5.037
  173    HG3  ARG  27           HG3      ARG  27  -0.247   1.313   7.107
  174    HD3  ARG  27           HD3      ARG  27   1.267   3.436   5.640
  175    HE   ARG  27           HE       ARG  27   1.604   2.178   8.127
  176   HH11  ARG  27          HH11      ARG  27   3.453   3.142   5.340
  177   HH12  ARG  27          HH12      ARG  27   4.925   3.358   6.227
  178   HH21  ARG  27          HH22      ARG  27   3.535   2.459   9.308
  179   HH22  ARG  27          HH21      ARG  27   4.970   2.969   8.486
  180    H    GLY  28           H        GLY  28  -3.487   0.882   5.357
  181    HA2  GLY  28           HA2      GLY  28  -4.604  -0.958   3.372
  182    HA3  GLY  28           HA3      GLY  28  -5.517  -0.031   4.553
  183    H    ALA  29           H        ALA  29  -3.093   1.701   2.875
  184    HA   ALA  29           HA       ALA  29  -4.850   3.594   1.823
  185    HB1  ALA  29           HB1      ALA  29  -2.802   4.520   1.870
  186    HB2  ALA  29           HB2      ALA  29  -1.986   2.988   1.556
  187    HB3  ALA  29           HB3      ALA  29  -2.694   3.898   0.222
  188    H    CYS  30           H        CYS  30  -3.912   0.507   0.617
  189    HA   CYS  30           HA       CYS  30  -4.441   0.949  -2.138
  190    HB3  CYS  30           HB3      CYS  30  -4.844  -1.695  -1.912
  191    HA   PRO  31           HA       PRO  31  -8.809   0.718  -2.459
  192    HB3  PRO  31           HB3      PRO  31  -8.563   0.781  -4.743
  193    HG3  PRO  31           HG3      PRO  31  -6.837  -0.370  -5.795
  194    HD3  PRO  31           HD3      PRO  31  -5.640   0.741  -4.168
  195    H    ARG  32           H        ARG  32 -10.675  -0.604  -2.184
  196    HA   ARG  32           HA       ARG  32 -10.479  -2.638  -0.336
  197    HB3  ARG  32           HB3      ARG  32 -12.795  -3.085  -0.728
  198    HG3  ARG  32           HG3      ARG  32 -11.939  -0.537  -0.269
  199    HD3  ARG  32           HD3      ARG  32 -12.465  -0.212  -2.798
  200    HE   ARG  32           HE       ARG  32 -15.110  -0.699  -1.808
  201   HH11  ARG  32          HH11      ARG  32 -13.229   1.077  -4.139
  202   HH12  ARG  32          HH12      ARG  32 -14.544   1.263  -5.252
  203   HH21  ARG  32          HH22      ARG  32 -16.849  -0.460  -3.266
  204   HH22  ARG  32          HH21      ARG  32 -16.602   0.389  -4.753
  205    H    GLY  33           H        GLY  33 -10.655  -4.900  -0.424
  206    HA2  GLY  33           HA2      GLY  33 -10.701  -6.998  -1.493
  207    HA3  GLY  33           HA3      GLY  33 -10.453  -6.192  -3.035
  208    H    SER  34           H        SER  34  -8.215  -4.618  -1.682
  209    HA   SER  34           HA       SER  34  -6.209  -6.733  -1.414
  210    HB3  SER  34           HB3      SER  34  -5.153  -6.275  -3.339
  211    HG   SER  34           HG       SER  34  -7.534  -4.847  -3.638
  212    H    ARG  35           H        ARG  35  -4.025  -5.723  -0.807
  213    HA   ARG  35           HA       ARG  35  -4.378  -3.305   0.819
  214    HB3  ARG  35           HB3      ARG  35  -3.146  -4.365   2.679
  215    HG3  ARG  35           HG3      ARG  35  -5.780  -5.341   1.805
  216    HD3  ARG  35           HD3      ARG  35  -4.151  -7.264   2.827
  217    HE   ARG  35           HE       ARG  35  -3.986  -6.906   5.069
  218   HH11  ARG  35          HH11      ARG  35  -7.132  -5.855   4.012
  219   HH12  ARG  35          HH12      ARG  35  -7.693  -5.497   5.610
  220   HH21  ARG  35          HH22      ARG  35  -4.714  -6.439   7.180
  221   HH22  ARG  35          HH21      ARG  35  -6.317  -5.828   7.411
  222    H    CYS  36           H        CYS  36  -2.404  -2.210   1.346
  223    HA   CYS  36           HA       CYS  36  -0.526  -2.232  -0.794
  224    HB3  CYS  36           HB3      CYS  36   0.152  -0.846   1.747
  225    H    CYS  37           H        CYS  37   0.872  -3.858  -1.015
  226    HA   CYS  37           HA       CYS  37   2.166  -4.959   1.381
  227    HB3  CYS  37           HB3      CYS  37   0.938  -6.391  -0.435
  228    H    MET  38           H        MET  38   4.394  -5.089   1.559
  229    HA   MET  38           HA       MET  38   5.857  -3.170  -0.074
  230    HB3  MET  38           HB3      MET  38   7.459  -4.438   1.958
  231    HG3  MET  38           HG3      MET  38   7.100  -1.999   2.936
  232    HE1  MET  38           HE1      MET  38   8.370   0.111   1.508
  233    HE2  MET  38           HE2      MET  38   9.449  -0.399   2.806
  234    HE3  MET  38           HE3      MET  38  10.081  -0.164   1.177
  235    HA   PRO  39           HA       PRO  39   7.619  -6.399  -2.545
  236    HB3  PRO  39           HB3      PRO  39   7.757  -4.825  -4.212
  237    HG3  PRO  39           HG3      PRO  39   8.114  -2.580  -3.717
  238    HD3  PRO  39           HD3      PRO  39   6.368  -3.032  -2.282
  239    H    THR  40           H        THR  40  10.122  -6.780  -3.250
  240    HA   THR  40           HA       THR  40  11.571  -7.024  -0.700
  241    HB   THR  40           HB       THR  40  12.190  -8.613  -3.180
  242    HG1  THR  40           HG1      THR  40  10.188  -9.058  -1.219
  243   HG21  THR  40          HG21      THR  40  13.420  -8.401  -0.704
  244   HG22  THR  40          HG22      THR  40  13.658  -9.691  -1.882
  245   HG23  THR  40          HG23      THR  40  12.479  -9.889  -0.587
  246    H    VAL  41           H        VAL  41  11.685  -4.585  -2.090
  247    HA   VAL  41           HA       VAL  41  14.126  -4.510  -3.633
  248    HB   VAL  41           HB       VAL  41  13.774  -2.076  -3.698
  249   HG11  VAL  41          HG11      VAL  41  12.155  -4.068  -4.831
  250   HG12  VAL  41          HG12      VAL  41  11.071  -2.757  -4.362
  251   HG13  VAL  41          HG13      VAL  41  12.436  -2.435  -5.432
  252   HG21  VAL  41          HG21      VAL  41  12.769  -1.961  -1.393
  253   HG22  VAL  41          HG22      VAL  41  11.940  -1.011  -2.625
  254   HG23  VAL  41          HG23      VAL  41  11.265  -2.554  -2.101
  255    H    ALA  42           H        ALA  42  15.641  -2.550  -2.969
  256    HA   ALA  42           HA       ALA  42  16.274  -2.843  -0.106
  257    HB1  ALA  42           HB1      ALA  42  18.578  -2.314  -1.809
  258    HB2  ALA  42           HB2      ALA  42  18.366  -3.505  -0.526
  259    HB3  ALA  42           HB3      ALA  42  17.792  -3.854  -2.158
  260    H    ALA  43           H        ALA  43  17.998  -1.083   0.501
  261    HA   ALA  43           HA       ALA  43  16.729   1.433   0.179
  262    HB1  ALA  43           HB1      ALA  43  17.781   1.362   2.193
  263    HB2  ALA  43           HB2      ALA  43  19.147   0.432   1.575
  264    HB3  ALA  43           HB3      ALA  43  19.044   2.163   1.258
  265    H    HIS  44           H        HIS  44  16.794   2.604  -1.619
  266    HA   HIS  44           HA       HIS  44  19.223   2.546  -3.272
  267    HB3  HIS  44           HB3      HIS  44  17.420   3.838  -4.823
  268    HD1  HIS  44           HD1      HIS  44  19.295   2.492  -6.197
  269    HD2  HIS  44           HD2      HIS  44  16.176   0.226  -4.647
  270    HE1  HIS  44           HE1      HIS  44  19.370   0.308  -7.439
  Start of MODEL    8
    1    H1   ARG   1           H1       ARG   1  -8.465   7.235  -0.805
    2    HA   ARG   1           HA       ARG   1  -7.703   8.819  -2.516
    3    HB3  ARG   1           HB3      ARG   1  -5.308   8.515  -0.766
    4    HG3  ARG   1           HG3      ARG   1  -6.880  10.719  -1.931
    5    HD3  ARG   1           HD3      ARG   1  -5.964  12.279  -0.193
    6    HE   ARG   1           HE       ARG   1  -8.292  10.720   0.077
    7   HH11  ARG   1          HH11      ARG   1  -6.206  12.804   1.929
    8   HH12  ARG   1          HH12      ARG   1  -7.459  13.313   3.011
    9   HH21  ARG   1          HH22      ARG   1  -9.950  11.383   1.496
   10   HH22  ARG   1          HH21      ARG   1  -9.588  12.504   2.764
   11    H    ARG   2           H        ARG   2  -6.750   8.881  -4.438
   12    HA   ARG   2           HA       ARG   2  -4.434   7.124  -4.914
   13    HB3  ARG   2           HB3      ARG   2  -6.338   7.877  -7.103
   14    HG3  ARG   2           HG3      ARG   2  -5.252   5.172  -6.995
   15    HD3  ARG   2           HD3      ARG   2  -5.053   7.321  -9.098
   16    HE   ARG   2           HE       ARG   2  -4.012   4.770  -9.129
   17   HH11  ARG   2          HH11      ARG   2  -6.286   6.607 -11.018
   18   HH12  ARG   2          HH12      ARG   2  -5.945   5.764 -12.491
   19   HH21  ARG   2          HH22      ARG   2  -3.553   3.650 -11.062
   20   HH22  ARG   2          HH21      ARG   2  -4.390   4.081 -12.516
   21    H    ARG   3           H        ARG   3  -2.884   8.697  -4.624
   22    HA   ARG   3           HA       ARG   3  -1.531  10.452  -5.140
   23    HB3  ARG   3           HB3      ARG   3  -2.260  11.107  -7.784
   24    HG3  ARG   3           HG3      ARG   3  -0.026   9.940  -6.414
   25    HD3  ARG   3           HD3      ARG   3  -0.621   8.855  -9.165
   26    HE   ARG   3           HE       ARG   3   1.859   9.090  -7.795
   27   HH11  ARG   3          HH11      ARG   3  -0.006   6.970  -9.831
   28   HH12  ARG   3          HH12      ARG   3   1.382   6.179 -10.502
   29   HH21  ARG   3          HH22      ARG   3   3.696   8.056  -8.672
   30   HH22  ARG   3          HH21      ARG   3   3.487   6.797  -9.841
   31    H    ARG   4           H        ARG   4  -2.419  11.993  -3.785
   32    HA   ARG   4           HA       ARG   4  -3.640  14.236  -5.093
   33    HB3  ARG   4           HB3      ARG   4  -5.206  12.866  -2.900
   34    HG3  ARG   4           HG3      ARG   4  -5.384  15.424  -3.273
   35    HD3  ARG   4           HD3      ARG   4  -7.469  15.466  -5.028
   36    HE   ARG   4           HE       ARG   4  -4.917  16.049  -6.231
   37   HH11  ARG   4          HH11      ARG   4  -7.347  17.102  -3.970
   38   HH12  ARG   4          HH12      ARG   4  -6.887  18.770  -4.053
   39   HH21  ARG   4          HH22      ARG   4  -4.302  18.242  -6.347
   40   HH22  ARG   4          HH21      ARG   4  -5.155  19.418  -5.405
   41    H    ARG   5           H        ARG   5  -3.180  12.795  -1.862
   42    HA   ARG   5           HA       ARG   5  -1.915  15.325  -1.028
   43    HB3  ARG   5           HB3      ARG   5  -3.148  13.484   0.974
   44    HG3  ARG   5           HG3      ARG   5  -2.308  16.281   0.858
   45    HD3  ARG   5           HD3      ARG   5  -4.007  17.002   2.504
   46    HE   ARG   5           HE       ARG   5  -4.498  16.780  -0.248
   47   HH11  ARG   5          HH11      ARG   5  -6.205  17.308   2.740
   48   HH12  ARG   5          HH12      ARG   5  -7.468  18.236   2.005
   49   HH21  ARG   5          HH22      ARG   5  -6.158  18.001  -1.227
   50   HH22  ARG   5          HH21      ARG   5  -7.442  18.630  -0.251
   51    H    ARG   6           H        ARG   6  -0.614  13.044  -2.244
   52    HA   ARG   6           HA       ARG   6   1.238  11.750  -1.991
   53    HB3  ARG   6           HB3      ARG   6   2.705  12.423   0.051
   54    HG3  ARG   6           HG3      ARG   6   2.261  14.816  -1.625
   55    HD3  ARG   6           HD3      ARG   6   4.740  14.445  -1.967
   56    HE   ARG   6           HE       ARG   6   3.523  15.223   0.519
   57   HH11  ARG   6          HH11      ARG   6   6.521  14.800  -1.199
   58   HH12  ARG   6          HH12      ARG   6   7.394  15.929  -0.215
   59   HH21  ARG   6          HH22      ARG   6   4.662  16.711   1.821
   60   HH22  ARG   6          HH21      ARG   6   6.335  17.014   1.502
   61    HA   PRO   7           HA       PRO   7  -0.999   9.092   1.098
   62    HB3  PRO   7           HB3      PRO   7  -2.467   8.335  -0.500
   63    HG3  PRO   7           HG3      PRO   7  -1.926   8.416  -2.759
   64    HD3  PRO   7           HD3      PRO   7  -1.423  10.582  -2.154
   65    HA   PRO   8           HA       PRO   8   2.423   6.569   2.216
   66    HB3  PRO   8           HB3      PRO   8   1.155   5.739   3.943
   67    HG3  PRO   8           HG3      PRO   8  -1.107   5.280   3.657
   68    HD3  PRO   8           HD3      PRO   8  -1.027   7.421   2.807
   69    H    CYS   9           H        CYS   9   0.071   4.814   0.204
   70    HA   CYS   9           HA       CYS   9   1.861   2.822  -0.688
   71    HB3  CYS   9           HB3      CYS   9  -0.335   3.647  -2.502
   72    H    GLU  10           H        GLU  10   1.644   6.117  -1.424
   73    HA   GLU  10           HA       GLU  10   2.803   5.859  -4.082
   74    HB3  GLU  10           HB3      GLU  10   1.986   8.250  -2.431
   75    HG3  GLU  10           HG3      GLU  10   3.871   8.905  -3.826
   76    H    ASP  11           H        ASP  11   3.678   7.535  -1.056
   77    HA   ASP  11           HA       ASP  11   6.254   8.265  -1.714
   78    HB3  ASP  11           HB3      ASP  11   6.344   7.507   1.001
   79    H    VAL  12           H        VAL  12   5.219   5.258  -0.113
   80    HA   VAL  12           HA       VAL  12   7.878   4.135  -0.304
   81    HB   VAL  12           HB       VAL  12   7.011   2.218   0.836
   82   HG11  VAL  12          HG11      VAL  12   5.919   3.284   2.818
   83   HG12  VAL  12          HG12      VAL  12   7.408   4.071   2.291
   84   HG13  VAL  12          HG13      VAL  12   5.843   4.785   1.896
   85   HG21  VAL  12          HG21      VAL  12   5.002   1.503   0.139
   86   HG22  VAL  12          HG22      VAL  12   4.358   2.588   1.372
   87   HG23  VAL  12          HG23      VAL  12   4.472   3.127  -0.303
   88    H    ASN  13           H        ASN  13   5.172   4.349  -2.315
   89    HA   ASN  13           HA       ASN  13   4.533   3.322  -4.247
   90    HB3  ASN  13           HB3      ASN  13   6.400   2.603  -5.729
   91   HD21  ASN  13          HD22      ASN  13   8.135   4.816  -3.742
   92   HD22  ASN  13          HD21      ASN  13   7.769   6.245  -4.642
   93    H    GLY  14           H        GLY  14   3.413   1.717  -2.876
   94    HA2  GLY  14           HA2      GLY  14   4.702  -0.931  -2.916
   95    HA3  GLY  14           HA3      GLY  14   3.351  -0.475  -1.889
   96    H    GLN  15           H        GLN  15   2.920  -2.743  -3.044
   97    HA   GLN  15           HA       GLN  15   1.243  -2.149  -5.393
   98    HB3  GLN  15           HB3      GLN  15   1.692  -4.325  -6.269
   99    HG3  GLN  15           HG3      GLN  15   4.430  -3.745  -5.300
  100   HE21  GLN  15          HE22      GLN  15   5.952  -4.076  -6.931
  101   HE22  GLN  15          HE21      GLN  15   5.563  -4.928  -8.383
  102    H    CYS  16           H        CYS  16  -0.861  -2.618  -5.242
  103    HA   CYS  16           HA       CYS  16  -2.004  -3.386  -2.776
  104    HB3  CYS  16           HB3      CYS  16  -4.140  -3.453  -4.045
  105    H    GLN  17           H        GLN  17  -1.541  -5.369  -2.003
  106    HA   GLN  17           HA       GLN  17  -2.251  -7.668  -3.703
  107    HB3  GLN  17           HB3      GLN  17  -0.447  -8.939  -2.845
  108    HG3  GLN  17           HG3      GLN  17   1.061  -6.402  -2.929
  109   HE21  GLN  17          HE22      GLN  17   1.976  -7.083  -5.587
  110   HE22  GLN  17          HE21      GLN  17   2.984  -8.475  -5.419
  111    HA   PRO  18           HA       PRO  18  -4.980  -8.976  -0.525
  112    HB3  PRO  18           HB3      PRO  18  -5.646 -10.649  -1.950
  113    HG3  PRO  18           HG3      PRO  18  -4.119 -11.721  -3.338
  114    HD3  PRO  18           HD3      PRO  18  -3.610  -9.523  -3.810
  115    H    ARG  19           H        ARG  19  -5.042 -10.913   1.218
  116    HA   ARG  19           HA       ARG  19  -2.648 -10.496   2.847
  117    HB3  ARG  19           HB3      ARG  19  -3.973 -11.059   4.736
  118    HG3  ARG  19           HG3      ARG  19  -4.804  -9.008   3.045
  119    HD3  ARG  19           HD3      ARG  19  -6.799 -10.392   2.531
  120    HE   ARG  19           HE       ARG  19  -6.887 -10.959   5.234
  121   HH11  ARG  19          HH11      ARG  19  -9.067  -9.751   2.803
  122   HH12  ARG  19          HH12      ARG  19 -10.482 -10.404   3.561
  123   HH21  ARG  19          HH22      ARG  19  -8.742 -11.824   6.242
  124   HH22  ARG  19          HH21      ARG  19 -10.296 -11.582   5.517
  125    H    GLY  20           H        GLY  20  -2.450 -12.303   0.667
  126    HA2  GLY  20           HA2      GLY  20  -1.796 -14.738   2.165
  127    HA3  GLY  20           HA3      GLY  20  -2.813 -14.890   0.739
  128    H    ASN  21           H        ASN  21   0.083 -12.931   1.407
  129    HA   ASN  21           HA       ASN  21   1.505 -14.410  -0.687
  130    HB3  ASN  21           HB3      ASN  21   1.084 -12.662  -2.072
  131   HD21  ASN  21          HD22      ASN  21  -0.659 -11.474  -2.265
  132   HD22  ASN  21          HD21      ASN  21  -1.175 -10.232  -1.181
  133    HA   PRO  22           HA       PRO  22   4.909 -14.280   2.087
  134    HB3  PRO  22           HB3      PRO  22   5.960 -15.747   0.665
  135    HG3  PRO  22           HG3      PRO  22   5.702 -15.575  -1.640
  136    HD3  PRO  22           HD3      PRO  22   3.491 -15.510  -0.987
  137    H    CYS  23           H        CYS  23   4.439 -11.809  -0.267
  138    HA   CYS  23           HA       CYS  23   6.638 -10.153   0.214
  139    HB3  CYS  23           HB3      CYS  23   4.842  -9.939  -1.597
  140    H    LEU  24           H        LEU  24   5.873  -7.727   1.062
  141    HA   LEU  24           HA       LEU  24   5.189  -8.200   3.884
  142    HB3  LEU  24           HB3      LEU  24   6.475  -5.684   2.933
  143    HG   LEU  24           HG       LEU  24   5.995  -6.748   5.486
  144   HD11  LEU  24          HD11      LEU  24   8.958  -6.551   5.064
  145   HD12  LEU  24          HD12      LEU  24   8.105  -8.090   4.955
  146   HD13  LEU  24          HD13      LEU  24   8.076  -7.171   6.459
  147   HD21  LEU  24          HD21      LEU  24   7.152  -4.365   4.245
  148   HD22  LEU  24          HD22      LEU  24   7.759  -4.698   5.868
  149   HD23  LEU  24          HD23      LEU  24   6.026  -4.512   5.596
  150    H    ARG  25           H        ARG  25   4.240  -6.152   4.950
  151    HA   ARG  25           HA       ARG  25   2.114  -5.112   3.194
  152    HB3  ARG  25           HB3      ARG  25   1.334  -6.637   4.992
  153    HG3  ARG  25           HG3      ARG  25   1.207  -5.442   7.297
  154    HD3  ARG  25           HD3      ARG  25   3.815  -6.384   7.464
  155    HE   ARG  25           HE       ARG  25   1.268  -7.355   8.200
  156   HH11  ARG  25          HH11      ARG  25   4.529  -8.426   7.617
  157   HH12  ARG  25          HH12      ARG  25   4.417  -9.777   8.695
  158   HH21  ARG  25          HH22      ARG  25   1.109  -9.133   9.622
  159   HH22  ARG  25          HH21      ARG  25   2.470 -10.179   9.835
  160    H    LEU  26           H        LEU  26   1.303  -2.961   3.715
  161    HA   LEU  26           HA       LEU  26   3.257  -1.261   5.105
  162    HB3  LEU  26           HB3      LEU  26   2.548   0.448   3.234
  163    HG   LEU  26           HG       LEU  26   4.731  -1.522   3.211
  164   HD11  LEU  26          HD11      LEU  26   5.254  -0.351   0.841
  165   HD12  LEU  26          HD12      LEU  26   3.505  -0.541   0.721
  166   HD13  LEU  26          HD13      LEU  26   4.526  -1.950   1.011
  167   HD21  LEU  26          HD21      LEU  26   4.359   1.432   3.049
  168   HD22  LEU  26          HD22      LEU  26   5.877   0.721   2.499
  169   HD23  LEU  26          HD23      LEU  26   5.342   0.477   4.162
  170    H    ARG  27           H        ARG  27   0.333  -0.449   3.276
  171    HA   ARG  27           HA       ARG  27  -1.251  -0.078   5.646
  172    HB3  ARG  27           HB3      ARG  27  -1.610   2.425   4.912
  173    HG3  ARG  27           HG3      ARG  27  -0.201   1.270   6.971
  174    HD3  ARG  27           HD3      ARG  27   1.506   3.498   5.908
  175    HE   ARG  27           HE       ARG  27   2.613   1.534   7.689
  176   HH11  ARG  27          HH11      ARG  27   0.819   4.510   7.473
  177   HH12  ARG  27          HH12      ARG  27   1.261   5.042   9.062
  178   HH21  ARG  27          HH22      ARG  27   3.200   2.223   9.781
  179   HH22  ARG  27          HH21      ARG  27   2.615   3.742  10.373
  180    H    GLY  28           H        GLY  28  -3.265   1.458   4.819
  181    HA2  GLY  28           HA2      GLY  28  -4.655  -0.179   2.993
  182    HA3  GLY  28           HA3      GLY  28  -5.186   1.395   3.564
  183    H    ALA  29           H        ALA  29  -5.227   3.033   2.157
  184    HA   ALA  29           HA       ALA  29  -5.181   4.088   0.130
  185    HB1  ALA  29           HB1      ALA  29  -2.372   3.273   0.677
  186    HB2  ALA  29           HB2      ALA  29  -2.755   3.984  -0.891
  187    HB3  ALA  29           HB3      ALA  29  -3.087   4.882   0.590
  188    H    CYS  30           H        CYS  30  -5.982   1.267   0.108
  189    HA   CYS  30           HA       CYS  30  -5.557   0.781  -2.748
  190    HB3  CYS  30           HB3      CYS  30  -5.520  -1.767  -1.942
  191    HA   PRO  31           HA       PRO  31  -9.831  -0.188  -2.890
  192    HB3  PRO  31           HB3      PRO  31  -9.581  -0.572  -5.141
  193    HG3  PRO  31           HG3      PRO  31  -7.685  -1.629  -5.974
  194    HD3  PRO  31           HD3      PRO  31  -6.694  -0.023  -4.650
  195    H    ARG  32           H        ARG  32 -11.466  -1.735  -2.336
  196    HA   ARG  32           HA       ARG  32 -10.940  -3.277  -0.098
  197    HB3  ARG  32           HB3      ARG  32 -13.163  -4.130  -0.300
  198    HG3  ARG  32           HG3      ARG  32 -12.705  -1.444  -0.402
  199    HD3  ARG  32           HD3      ARG  32 -14.240  -2.267  -2.801
  200    HE   ARG  32           HE       ARG  32 -15.020   0.340  -1.965
  201   HH11  ARG  32          HH11      ARG  32 -15.769  -3.042  -1.614
  202   HH12  ARG  32          HH12      ARG  32 -17.438  -2.768  -1.237
  203   HH21  ARG  32          HH22      ARG  32 -17.215   0.715  -1.470
  204   HH22  ARG  32          HH21      ARG  32 -18.259  -0.631  -1.156
  205    H    GLY  33           H        GLY  33 -10.660  -5.472   0.283
  206    HA2  GLY  33           HA2      GLY  33 -10.208  -7.694  -0.212
  207    HA3  GLY  33           HA3      GLY  33 -10.520  -7.348  -1.906
  208    H    SER  34           H        SER  34  -8.431  -5.026  -0.980
  209    HA   SER  34           HA       SER  34  -6.008  -6.632  -1.256
  210    HB3  SER  34           HB3      SER  34  -5.158  -5.248  -3.093
  211    HG   SER  34           HG       SER  34  -6.585  -7.138  -3.483
  212    H    ARG  35           H        ARG  35  -4.101  -5.569  -0.582
  213    HA   ARG  35           HA       ARG  35  -4.438  -2.940   0.668
  214    HB3  ARG  35           HB3      ARG  35  -3.380  -3.677   2.726
  215    HG3  ARG  35           HG3      ARG  35  -5.946  -4.496   1.956
  216    HD3  ARG  35           HD3      ARG  35  -4.496  -6.793   2.336
  217    HE   ARG  35           HE       ARG  35  -4.314  -6.983   4.614
  218   HH11  ARG  35          HH11      ARG  35  -7.495  -5.826   3.798
  219   HH12  ARG  35          HH12      ARG  35  -8.111  -5.992   5.409
  220   HH21  ARG  35          HH22      ARG  35  -5.113  -7.207   6.739
  221   HH22  ARG  35          HH21      ARG  35  -6.755  -6.778   7.081
  222    H    CYS  36           H        CYS  36  -2.532  -1.738   0.887
  223    HA   CYS  36           HA       CYS  36  -0.610  -2.090  -1.120
  224    HB3  CYS  36           HB3      CYS  36  -0.032  -0.506   1.365
  225    H    CYS  37           H        CYS  37   0.820  -3.683  -1.234
  226    HA   CYS  37           HA       CYS  37   2.130  -4.578   1.250
  227    HB3  CYS  37           HB3      CYS  37   0.891  -6.044  -0.906
  228    H    MET  38           H        MET  38   4.325  -4.628   1.361
  229    HA   MET  38           HA       MET  38   5.783  -3.061  -0.535
  230    HB3  MET  38           HB3      MET  38   7.504  -4.536   1.236
  231    HG3  MET  38           HG3      MET  38   7.447  -2.087   2.313
  232    HE1  MET  38           HE1      MET  38   9.153  -0.540   2.039
  233    HE2  MET  38           HE2      MET  38  10.346  -1.757   2.496
  234    HE3  MET  38           HE3      MET  38  10.636  -0.717   1.101
  235    HA   PRO  39           HA       PRO  39   6.886  -6.360  -3.273
  236    HB3  PRO  39           HB3      PRO  39   7.037  -4.742  -4.899
  237    HG3  PRO  39           HG3      PRO  39   7.716  -2.581  -4.380
  238    HD3  PRO  39           HD3      PRO  39   6.094  -2.883  -2.770
  239    H    THR  40           H        THR  40   9.118  -7.184  -4.195
  240    HA   THR  40           HA       THR  40  10.860  -7.588  -1.862
  241    HB   THR  40           HB       THR  40  11.514  -9.675  -2.760
  242    HG1  THR  40           HG1      THR  40  10.440  -8.659  -5.173
  243   HG21  THR  40          HG21      THR  40   8.807 -10.027  -3.755
  244   HG22  THR  40          HG22      THR  40   8.848  -9.120  -2.244
  245   HG23  THR  40          HG23      THR  40   9.584 -10.721  -2.333
  246    H    VAL  41           H        VAL  41  11.021  -5.253  -3.601
  247    HA   VAL  41           HA       VAL  41  13.187  -5.513  -5.412
  248    HB   VAL  41           HB       VAL  41  13.279  -3.072  -5.401
  249   HG11  VAL  41          HG11      VAL  41  10.371  -3.779  -5.323
  250   HG12  VAL  41          HG12      VAL  41  11.227  -2.705  -6.430
  251   HG13  VAL  41          HG13      VAL  41  11.431  -4.453  -6.560
  252   HG21  VAL  41          HG21      VAL  41  12.179  -3.388  -2.792
  253   HG22  VAL  41          HG22      VAL  41  12.760  -1.919  -3.576
  254   HG23  VAL  41          HG23      VAL  41  11.075  -2.407  -3.756
  255    H    ALA  42           H        ALA  42  15.223  -4.142  -5.110
  256    HA   ALA  42           HA       ALA  42  16.430  -4.918  -2.558
  257    HB1  ALA  42           HB1      ALA  42  18.126  -3.761  -4.676
  258    HB2  ALA  42           HB2      ALA  42  18.390  -5.171  -3.648
  259    HB3  ALA  42           HB3      ALA  42  17.341  -5.293  -5.061
  260    H    ALA  43           H        ALA  43  16.169  -3.393  -1.043
  261    HA   ALA  43           HA       ALA  43  17.332  -0.779  -1.505
  262    HB1  ALA  43           HB1      ALA  43  15.488   0.500  -1.435
  263    HB2  ALA  43           HB2      ALA  43  14.667  -0.967  -1.968
  264    HB3  ALA  43           HB3      ALA  43  14.686  -0.539  -0.257
  265    H    HIS  44           H        HIS  44  16.635   0.549   0.722
  266    HA   HIS  44           HA       HIS  44  16.589  -1.007   3.092
  267    HB3  HIS  44           HB3      HIS  44  19.173   0.324   3.159
  268    HD1  HIS  44           HD1      HIS  44  17.912  -0.832   5.515
  269    HD2  HIS  44           HD2      HIS  44  20.060  -3.211   2.872
  270    HE1  HIS  44           HE1      HIS  44  18.567  -2.873   6.828
  Start of MODEL    9
    1    H1   ARG   1           H1       ARG   1  -6.893   4.995  -3.936
    2    HA   ARG   1           HA       ARG   1  -8.726   6.000  -6.011
    3    HB3  ARG   1           HB3      ARG   1  -9.822   7.390  -4.378
    4    HG3  ARG   1           HG3      ARG   1  -9.576   4.758  -2.968
    5    HD3  ARG   1           HD3      ARG   1 -12.113   6.202  -3.552
    6    HE   ARG   1           HE       ARG   1 -12.682   4.471  -2.172
    7   HH11  ARG   1          HH11      ARG   1  -9.782   5.974  -0.966
    8   HH12  ARG   1          HH12      ARG   1  -9.761   5.056   0.502
    9   HH21  ARG   1          HH22      ARG   1 -12.665   3.256  -0.241
   10   HH22  ARG   1          HH21      ARG   1 -11.399   3.509   0.913
   11    H    ARG   2           H        ARG   2  -6.297   6.312  -6.761
   12    HA   ARG   2           HA       ARG   2  -4.648   7.773  -7.329
   13    HB3  ARG   2           HB3      ARG   2  -5.232  10.148  -7.400
   14    HG3  ARG   2           HG3      ARG   2  -7.132   8.119  -8.376
   15    HD3  ARG   2           HD3      ARG   2  -8.337  10.263  -9.406
   16    HE   ARG   2           HE       ARG   2  -9.158   8.384  -7.613
   17   HH11  ARG   2          HH11      ARG   2  -9.729  11.794  -8.021
   18   HH12  ARG   2          HH12      ARG   2 -11.317  11.743  -7.332
   19   HH21  ARG   2          HH22      ARG   2 -11.248   8.304  -6.704
   20   HH22  ARG   2          HH21      ARG   2 -12.180   9.758  -6.581
   21    H    ARG   3           H        ARG   3  -3.606  10.032  -6.330
   22    HA   ARG   3           HA       ARG   3  -2.517   9.137  -3.805
   23    HB3  ARG   3           HB3      ARG   3  -0.889  10.882  -4.076
   24    HG3  ARG   3           HG3      ARG   3  -1.499   9.795  -6.817
   25    HD3  ARG   3           HD3      ARG   3   1.093  10.745  -5.602
   26    HE   ARG   3           HE       ARG   3   1.939   9.514  -7.322
   27   HH11  ARG   3          HH11      ARG   3  -1.057  10.952  -8.359
   28   HH12  ARG   3          HH12      ARG   3  -0.912  10.390  -9.992
   29   HH21  ARG   3          HH22      ARG   3   2.142   8.769  -9.469
   30   HH22  ARG   3          HH21      ARG   3   0.907   9.148 -10.622
   31    H    ARG   4           H        ARG   4  -4.250   9.391  -2.367
   32    HA   ARG   4           HA       ARG   4  -5.671  11.833  -2.065
   33    HB3  ARG   4           HB3      ARG   4  -6.128  10.692   0.286
   34    HG3  ARG   4           HG3      ARG   4  -7.674   9.008  -0.951
   35    HD3  ARG   4           HD3      ARG   4  -8.467  11.630  -1.903
   36    HE   ARG   4           HE       ARG   4  -9.801  10.575   0.390
   37   HH11  ARG   4          HH11      ARG   4  -9.333  10.151  -3.034
   38   HH12  ARG   4          HH12      ARG   4 -10.853   9.355  -3.276
   39   HH21  ARG   4          HH22      ARG   4 -11.804   9.528   0.084
   40   HH22  ARG   4          HH21      ARG   4 -12.259   9.002  -1.501
   41    H    ARG   5           H        ARG   5  -4.013  13.420  -1.935
   42    HA   ARG   5           HA       ARG   5  -2.686  14.897  -0.827
   43    HB3  ARG   5           HB3      ARG   5  -3.309  13.546   1.776
   44    HG3  ARG   5           HG3      ARG   5  -2.633  16.280   0.881
   45    HD3  ARG   5           HD3      ARG   5  -3.840  16.375   3.486
   46    HE   ARG   5           HE       ARG   5  -3.702  18.043   1.223
   47   HH11  ARG   5          HH11      ARG   5  -5.786  17.310   3.914
   48   HH12  ARG   5          HH12      ARG   5  -6.486  18.894   3.971
   49   HH21  ARG   5          HH22      ARG   5  -4.617  20.132   1.288
   50   HH22  ARG   5          HH21      ARG   5  -5.821  20.497   2.477
   51    H    ARG   6           H        ARG   6  -1.445  12.669  -1.911
   52    HA   ARG   6           HA       ARG   6   0.553  11.583  -1.925
   53    HB3  ARG   6           HB3      ARG   6   2.375  12.494  -0.654
   54    HG3  ARG   6           HG3      ARG   6   0.502  14.776  -1.244
   55    HD3  ARG   6           HD3      ARG   6   2.949  14.858  -0.024
   56    HE   ARG   6           HE       ARG   6   4.510  14.661  -1.672
   57   HH11  ARG   6          HH11      ARG   6   1.722  16.287  -2.978
   58   HH12  ARG   6          HH12      ARG   6   2.460  16.598  -4.514
   59   HH21  ARG   6          HH22      ARG   6   5.493  15.065  -3.689
   60   HH22  ARG   6          HH21      ARG   6   4.605  15.902  -4.919
   61    HA   PRO   7           HA       PRO   7  -0.986   8.832   1.477
   62    HB3  PRO   7           HB3      PRO   7  -2.551   7.881   0.087
   63    HG3  PRO   7           HG3      PRO   7  -2.294   7.938  -2.224
   64    HD3  PRO   7           HD3      PRO   7  -1.944  10.162  -1.731
   65    HA   PRO   8           HA       PRO   8   2.784   6.696   2.222
   66    HB3  PRO   8           HB3      PRO   8   1.824   5.812   4.113
   67    HG3  PRO   8           HG3      PRO   8  -0.398   5.126   4.122
   68    HD3  PRO   8           HD3      PRO   8  -0.635   7.232   3.216
   69    H    CYS   9           H        CYS   9   0.432   4.460   0.734
   70    HA   CYS   9           HA       CYS   9   2.231   2.655  -0.354
   71    HB3  CYS   9           HB3      CYS   9  -0.144   3.285  -2.005
   72    H    GLU  10           H        GLU  10   1.385   5.851  -1.405
   73    HA   GLU  10           HA       GLU  10   2.485   5.557  -4.049
   74    HB3  GLU  10           HB3      GLU  10   1.690   8.032  -2.507
   75    HG3  GLU  10           HG3      GLU  10   1.383   8.481  -5.235
   76    H    ASP  11           H        ASP  11   3.454   7.316  -1.108
   77    HA   ASP  11           HA       ASP  11   5.842   8.379  -1.975
   78    HB3  ASP  11           HB3      ASP  11   6.319   7.532   0.667
   79    H    VAL  12           H        VAL  12   5.355   5.203  -0.437
   80    HA   VAL  12           HA       VAL  12   8.090   4.429  -0.982
   81    HB   VAL  12           HB       VAL  12   7.589   2.369   0.146
   82   HG11  VAL  12          HG11      VAL  12   8.008   4.159   1.649
   83   HG12  VAL  12          HG12      VAL  12   6.366   4.780   1.469
   84   HG13  VAL  12          HG13      VAL  12   6.646   3.253   2.305
   85   HG21  VAL  12          HG21      VAL  12   4.929   2.618   0.998
   86   HG22  VAL  12          HG22      VAL  12   4.916   2.924  -0.739
   87   HG23  VAL  12          HG23      VAL  12   5.595   1.422  -0.114
   88    H    ASN  13           H        ASN  13   5.160   4.377  -2.655
   89    HA   ASN  13           HA       ASN  13   4.417   3.344  -4.546
   90    HB3  ASN  13           HB3      ASN  13   6.131   2.935  -6.276
   91   HD21  ASN  13          HD22      ASN  13   7.959   5.136  -4.368
   92   HD22  ASN  13          HD21      ASN  13   7.369   6.591  -5.090
   93    H    GLY  14           H        GLY  14   3.643   1.573  -3.152
   94    HA2  GLY  14           HA2      GLY  14   5.208  -0.904  -3.467
   95    HA3  GLY  14           HA3      GLY  14   3.970  -0.640  -2.248
   96    H    GLN  15           H        GLN  15   3.045  -2.657  -2.950
   97    HA   GLN  15           HA       GLN  15   1.519  -2.394  -5.457
   98    HB3  GLN  15           HB3      GLN  15   1.466  -5.067  -4.959
   99    HG3  GLN  15           HG3      GLN  15   3.642  -3.629  -6.462
  100   HE21  GLN  15          HE22      GLN  15   2.155  -5.816  -8.337
  101   HE22  GLN  15          HE21      GLN  15   3.214  -7.166  -8.139
  102    H    CYS  16           H        CYS  16  -0.462  -3.966  -5.378
  103    HA   CYS  16           HA       CYS  16  -1.795  -3.603  -2.774
  104    HB3  CYS  16           HB3      CYS  16  -3.928  -3.451  -4.165
  105    H    GLN  17           H        GLN  17  -1.268  -5.707  -2.101
  106    HA   GLN  17           HA       GLN  17  -2.667  -7.845  -3.568
  107    HB3  GLN  17           HB3      GLN  17  -0.925  -9.269  -3.281
  108    HG3  GLN  17           HG3      GLN  17   0.751  -6.893  -2.567
  109   HE21  GLN  17          HE22      GLN  17   2.616  -6.967  -4.295
  110   HE22  GLN  17          HE21      GLN  17   3.382  -8.508  -4.438
  111    HA   PRO  18           HA       PRO  18  -5.093  -8.727  -0.022
  112    HB3  PRO  18           HB3      PRO  18  -6.064 -10.426  -1.227
  113    HG3  PRO  18           HG3      PRO  18  -4.806 -11.744  -2.671
  114    HD3  PRO  18           HD3      PRO  18  -4.152  -9.649  -3.374
  115    H    ARG  19           H        ARG  19  -5.140 -10.513   1.875
  116    HA   ARG  19           HA       ARG  19  -2.592 -10.166   3.248
  117    HB3  ARG  19           HB3      ARG  19  -4.566  -9.486   4.467
  118    HG3  ARG  19           HG3      ARG  19  -5.708 -12.073   5.022
  119    HD3  ARG  19           HD3      ARG  19  -6.964  -9.633   3.780
  120    HE   ARG  19           HE       ARG  19  -8.091 -12.035   4.751
  121   HH11  ARG  19          HH11      ARG  19  -8.551  -8.585   4.810
  122   HH12  ARG  19          HH12      ARG  19 -10.267  -8.686   5.025
  123   HH21  ARG  19          HH22      ARG  19 -10.348 -12.181   5.035
  124   HH22  ARG  19          HH21      ARG  19 -11.289 -10.733   5.155
  125    H    GLY  20           H        GLY  20  -2.429 -12.015   1.205
  126    HA2  GLY  20           HA2      GLY  20  -1.797 -14.420   2.732
  127    HA3  GLY  20           HA3      GLY  20  -2.925 -14.608   1.399
  128    H    ASN  21           H        ASN  21  -0.054 -12.541   1.595
  129    HA   ASN  21           HA       ASN  21   1.176 -14.175  -0.523
  130    HB3  ASN  21           HB3      ASN  21   0.840 -12.429  -1.904
  131   HD21  ASN  21          HD22      ASN  21  -1.167 -11.624  -1.821
  132   HD22  ASN  21          HD21      ASN  21  -1.648 -10.281  -0.848
  133    HA   PRO  22           HA       PRO  22   4.818 -14.211   1.930
  134    HB3  PRO  22           HB3      PRO  22   5.682 -15.694   0.404
  135    HG3  PRO  22           HG3      PRO  22   5.230 -15.481  -1.868
  136    HD3  PRO  22           HD3      PRO  22   3.090 -15.340  -1.022
  137    H    CYS  23           H        CYS  23   4.248 -11.691  -0.352
  138    HA   CYS  23           HA       CYS  23   6.550 -10.130  -0.021
  139    HB3  CYS  23           HB3      CYS  23   4.670  -9.828  -1.719
  140    H    LEU  24           H        LEU  24   5.831  -7.659   0.860
  141    HA   LEU  24           HA       LEU  24   5.500  -8.126   3.738
  142    HB3  LEU  24           HB3      LEU  24   6.272  -5.461   3.254
  143    HG   LEU  24           HG       LEU  24   8.097  -7.730   4.042
  144   HD11  LEU  24          HD11      LEU  24   8.942  -5.473   5.319
  145   HD12  LEU  24          HD12      LEU  24   8.434  -4.840   3.754
  146   HD13  LEU  24          HD13      LEU  24   9.640  -6.123   3.835
  147   HD21  LEU  24          HD21      LEU  24   6.213  -7.678   5.536
  148   HD22  LEU  24          HD22      LEU  24   6.347  -5.928   5.710
  149   HD23  LEU  24          HD23      LEU  24   7.610  -6.978   6.355
  150    H    ARG  25           H        ARG  25   4.610  -5.992   4.845
  151    HA   ARG  25           HA       ARG  25   2.167  -5.208   3.396
  152    HB3  ARG  25           HB3      ARG  25   1.739  -6.814   5.254
  153    HG3  ARG  25           HG3      ARG  25   1.753  -5.709   7.571
  154    HD3  ARG  25           HD3      ARG  25   4.523  -6.182   7.265
  155    HE   ARG  25           HE       ARG  25   2.319  -7.534   8.502
  156   HH11  ARG  25          HH11      ARG  25   5.679  -7.788   7.623
  157   HH12  ARG  25          HH12      ARG  25   6.046  -8.955   8.849
  158   HH21  ARG  25          HH22      ARG  25   2.790  -9.070  10.121
  159   HH22  ARG  25          HH21      ARG  25   4.403  -9.684  10.270
  160    H    LEU  26           H        LEU  26   1.267  -3.128   3.999
  161    HA   LEU  26           HA       LEU  26   3.186  -1.294   5.253
  162    HB3  LEU  26           HB3      LEU  26   2.247   0.363   3.435
  163    HG   LEU  26           HG       LEU  26   4.591  -1.364   3.369
  164   HD11  LEU  26          HD11      LEU  26   5.015  -1.529   1.143
  165   HD12  LEU  26          HD12      LEU  26   4.026  -0.127   0.733
  166   HD13  LEU  26          HD13      LEU  26   3.257  -1.672   1.098
  167   HD21  LEU  26          HD21      LEU  26   5.615   0.765   2.582
  168   HD22  LEU  26          HD22      LEU  26   4.724   0.916   4.097
  169   HD23  LEU  26          HD23      LEU  26   4.006   1.491   2.592
  170    H    ARG  27           H        ARG  27   0.052  -0.839   3.634
  171    HA   ARG  27           HA       ARG  27  -1.335  -0.463   6.127
  172    HB3  ARG  27           HB3      ARG  27  -2.047   1.921   5.251
  173    HG3  ARG  27           HG3      ARG  27  -0.383   1.102   7.264
  174    HD3  ARG  27           HD3      ARG  27   1.050   3.376   5.951
  175    HE   ARG  27           HE       ARG  27   1.409   2.076   8.368
  176   HH11  ARG  27          HH11      ARG  27   3.318   2.866   5.565
  177   HH12  ARG  27          HH12      ARG  27   4.806   2.971   6.446
  178   HH21  ARG  27          HH22      ARG  27   3.363   2.210   9.538
  179   HH22  ARG  27          HH21      ARG  27   4.831   2.595   8.705
  180    H    GLY  28           H        GLY  28  -3.575   0.802   5.388
  181    HA2  GLY  28           HA2      GLY  28  -4.724  -1.070   3.478
  182    HA3  GLY  28           HA3      GLY  28  -5.610   0.037   4.518
  183    H    ALA  29           H        ALA  29  -2.963   1.248   2.649
  184    HA   ALA  29           HA       ALA  29  -4.698   3.064   1.261
  185    HB1  ALA  29           HB1      ALA  29  -2.725   4.108   1.746
  186    HB2  ALA  29           HB2      ALA  29  -1.758   2.661   1.460
  187    HB3  ALA  29           HB3      ALA  29  -2.391   3.582   0.095
  188    H    CYS  30           H        CYS  30  -5.759   0.896   0.398
  189    HA   CYS  30           HA       CYS  30  -5.019   0.761  -2.396
  190    HB3  CYS  30           HB3      CYS  30  -5.263  -1.885  -2.083
  191    HA   PRO  31           HA       PRO  31  -9.327   0.236  -3.028
  192    HB3  PRO  31           HB3      PRO  31  -8.910   0.219  -5.287
  193    HG3  PRO  31           HG3      PRO  31  -7.040  -0.859  -6.153
  194    HD3  PRO  31           HD3      PRO  31  -6.042   0.395  -4.497
  195    H    ARG  32           H        ARG  32 -11.108  -1.138  -2.710
  196    HA   ARG  32           HA       ARG  32 -10.898  -3.112  -0.811
  197    HB3  ARG  32           HB3      ARG  32 -13.024  -2.106  -1.273
  198    HG3  ARG  32           HG3      ARG  32 -14.134  -3.262  -3.472
  199    HD3  ARG  32           HD3      ARG  32 -12.767  -0.680  -3.926
  200    HE   ARG  32           HE       ARG  32 -15.268  -1.827  -4.631
  201   HH11  ARG  32          HH11      ARG  32 -13.707   1.204  -3.929
  202   HH12  ARG  32          HH12      ARG  32 -14.805   2.142  -4.887
  203   HH21  ARG  32          HH22      ARG  32 -16.723  -0.603  -5.894
  204   HH22  ARG  32          HH21      ARG  32 -16.521   1.113  -6.003
  205    H    GLY  33           H        GLY  33 -10.475  -5.251  -0.775
  206    HA2  GLY  33           HA2      GLY  33 -10.548  -7.435  -1.811
  207    HA3  GLY  33           HA3      GLY  33 -10.252  -6.655  -3.359
  208    H    SER  34           H        SER  34  -8.221  -4.937  -1.755
  209    HA   SER  34           HA       SER  34  -6.119  -6.888  -1.282
  210    HB3  SER  34           HB3      SER  34  -5.164  -6.664  -3.298
  211    HG   SER  34           HG       SER  34  -6.900  -4.479  -3.820
  212    H    ARG  35           H        ARG  35  -4.007  -5.648  -0.720
  213    HA   ARG  35           HA       ARG  35  -4.588  -3.121   0.641
  214    HB3  ARG  35           HB3      ARG  35  -4.898  -4.932   2.293
  215    HG3  ARG  35           HG3      ARG  35  -2.277  -5.789   1.284
  216    HD3  ARG  35           HD3      ARG  35  -2.062  -4.809   3.736
  217    HE   ARG  35           HE       ARG  35  -3.643  -7.161   4.188
  218   HH11  ARG  35          HH11      ARG  35  -1.163  -5.097   5.491
  219   HH12  ARG  35          HH12      ARG  35  -1.483  -5.533   7.138
  220   HH21  ARG  35          HH22      ARG  35  -4.074  -7.744   6.351
  221   HH22  ARG  35          HH21      ARG  35  -3.139  -7.038   7.625
  222    H    CYS  36           H        CYS  36  -2.672  -1.915   1.232
  223    HA   CYS  36           HA       CYS  36  -0.712  -1.924  -0.800
  224    HB3  CYS  36           HB3      CYS  36  -0.623  -0.546   1.891
  225    H    CYS  37           H        CYS  37   0.697  -3.546  -1.010
  226    HA   CYS  37           HA       CYS  37   2.070  -4.520   1.407
  227    HB3  CYS  37           HB3      CYS  37   0.851  -5.907  -0.821
  228    H    MET  38           H        MET  38   4.294  -4.688   1.420
  229    HA   MET  38           HA       MET  38   5.690  -2.914  -0.348
  230    HB3  MET  38           HB3      MET  38   7.322  -4.671   1.342
  231    HG3  MET  38           HG3      MET  38   7.735  -2.238   2.330
  232    HE1  MET  38           HE1      MET  38   9.855  -1.432  -1.205
  233    HE2  MET  38           HE2      MET  38   8.643  -0.682  -0.166
  234    HE3  MET  38           HE3      MET  38  10.318  -0.793   0.373
  235    HA   PRO  39           HA       PRO  39   6.728  -5.924  -3.421
  236    HB3  PRO  39           HB3      PRO  39   6.859  -4.154  -4.877
  237    HG3  PRO  39           HG3      PRO  39   7.567  -2.058  -4.159
  238    HD3  PRO  39           HD3      PRO  39   5.973  -2.511  -2.556
  239    H    THR  40           H        THR  40   8.968  -6.612  -4.482
  240    HA   THR  40           HA       THR  40  10.830  -7.128  -2.254
  241    HB   THR  40           HB       THR  40  10.584  -8.928  -4.649
  242    HG1  THR  40           HG1      THR  40   9.142  -9.222  -2.208
  243   HG21  THR  40          HG21      THR  40  12.257  -8.855  -2.400
  244   HG22  THR  40          HG22      THR  40  12.104 -10.160  -3.577
  245   HG23  THR  40          HG23      THR  40  11.124 -10.175  -2.109
  246    H    VAL  41           H        VAL  41  11.177  -4.825  -3.700
  247    HA   VAL  41           HA       VAL  41  13.228  -5.373  -5.708
  248    HB   VAL  41           HB       VAL  41  13.151  -3.011  -6.235
  249   HG11  VAL  41          HG11      VAL  41  10.259  -3.523  -5.992
  250   HG12  VAL  41          HG12      VAL  41  11.230  -3.136  -7.414
  251   HG13  VAL  41          HG13      VAL  41  11.202  -4.785  -6.786
  252   HG21  VAL  41          HG21      VAL  41  12.701  -1.568  -4.598
  253   HG22  VAL  41          HG22      VAL  41  11.000  -1.990  -4.794
  254   HG23  VAL  41          HG23      VAL  41  11.985  -2.830  -3.596
  255    H    ALA  42           H        ALA  42  15.079  -3.621  -5.610
  256    HA   ALA  42           HA       ALA  42  16.166  -3.688  -2.871
  257    HB1  ALA  42           HB1      ALA  42  18.336  -4.004  -3.739
  258    HB2  ALA  42           HB2      ALA  42  17.297  -5.124  -4.623
  259    HB3  ALA  42           HB3      ALA  42  17.819  -3.619  -5.381
  260    H    ALA  43           H        ALA  43  16.265  -1.855  -5.922
  261    HA   ALA  43           HA       ALA  43  16.618   0.351  -6.368
  262    HB1  ALA  43           HB1      ALA  43  14.503   0.571  -5.190
  263    HB2  ALA  43           HB2      ALA  43  15.354   0.669  -3.647
  264    HB3  ALA  43           HB3      ALA  43  15.548   1.949  -4.844
  265    H    HIS  44           H        HIS  44  18.911   0.133  -6.336
  266    HA   HIS  44           HA       HIS  44  20.158   1.773  -4.296
  267    HB3  HIS  44           HB3      HIS  44  22.026   0.008  -4.084
  268    HD1  HIS  44           HD1      HIS  44  19.290  -2.148  -3.050
  269    HD2  HIS  44           HD2      HIS  44  21.165   1.253  -1.573
  270    HE1  HIS  44           HE1      HIS  44  18.633  -2.017  -0.626
  Start of MODEL   10
    1    H1   ARG   1           H1       ARG   1  -7.609  10.623  -6.428
    2    HA   ARG   1           HA       ARG   1  -8.272   8.788  -4.715
    3    HB3  ARG   1           HB3      ARG   1  -8.865   6.688  -5.713
    4    HG3  ARG   1           HG3      ARG   1 -10.573   8.832  -5.807
    5    HD3  ARG   1           HD3      ARG   1  -9.923   8.459  -8.437
    6    HE   ARG   1           HE       ARG   1 -11.141   6.687  -9.183
    7   HH11  ARG   1          HH11      ARG   1 -12.948   8.287  -6.675
    8   HH12  ARG   1          HH12      ARG   1 -14.346   7.279  -6.858
    9   HH21  ARG   1          HH22      ARG   1 -12.974   5.353  -9.434
   10   HH22  ARG   1          HH21      ARG   1 -14.359   5.611  -8.427
   11    H    ARG   2           H        ARG   2  -6.701   8.402  -7.894
   12    HA   ARG   2           HA       ARG   2  -4.464   7.006  -6.757
   13    HB3  ARG   2           HB3      ARG   2  -3.624   7.711  -9.245
   14    HG3  ARG   2           HG3      ARG   2  -5.653   5.538  -9.091
   15    HD3  ARG   2           HD3      ARG   2  -2.942   5.908 -10.338
   16    HE   ARG   2           HE       ARG   2  -3.779   3.473  -9.469
   17   HH11  ARG   2          HH11      ARG   2  -3.319   4.907 -12.608
   18   HH12  ARG   2          HH12      ARG   2  -2.923   3.407 -13.378
   19   HH21  ARG   2          HH22      ARG   2  -3.259   1.492 -10.473
   20   HH22  ARG   2          HH21      ARG   2  -2.891   1.466 -12.164
   21    H    ARG   3           H        ARG   3  -3.271   8.208  -5.373
   22    HA   ARG   3           HA       ARG   3  -1.770   9.752  -4.647
   23    HB3  ARG   3           HB3      ARG   3  -1.439  10.699  -7.480
   24    HG3  ARG   3           HG3      ARG   3   0.786  10.096  -5.600
   25    HD3  ARG   3           HD3      ARG   3   0.712  10.987  -8.155
   26    HE   ARG   3           HE       ARG   3   0.039  13.285  -6.737
   27   HH11  ARG   3          HH11      ARG   3   2.471  12.224  -8.994
   28   HH12  ARG   3          HH12      ARG   3   2.713  13.800  -9.673
   29   HH21  ARG   3          HH22      ARG   3   0.352  15.364  -7.623
   30   HH22  ARG   3          HH21      ARG   3   1.509  15.585  -8.891
   31    H    ARG   4           H        ARG   4  -3.662  10.803  -3.691
   32    HA   ARG   4           HA       ARG   4  -4.283  13.378  -4.978
   33    HB3  ARG   4           HB3      ARG   4  -6.072  12.586  -2.815
   34    HG3  ARG   4           HG3      ARG   4  -6.424  13.397  -5.680
   35    HD3  ARG   4           HD3      ARG   4  -8.139  11.669  -4.561
   36    HE   ARG   4           HE       ARG   4  -8.752  14.130  -3.229
   37   HH11  ARG   4          HH11      ARG   4 -10.106  11.220  -4.579
   38   HH12  ARG   4          HH12      ARG   4 -11.516  11.255  -3.573
   39   HH21  ARG   4          HH22      ARG   4 -10.605  14.186  -1.901
   40   HH22  ARG   4          HH21      ARG   4 -11.800  12.944  -2.051
   41    H    ARG   5           H        ARG   5  -4.253  11.970  -1.697
   42    HA   ARG   5           HA       ARG   5  -3.247  14.531  -0.681
   43    HB3  ARG   5           HB3      ARG   5  -3.768  13.315   1.576
   44    HG3  ARG   5           HG3      ARG   5  -6.285  13.769   1.234
   45    HD3  ARG   5           HD3      ARG   5  -5.556  16.334   0.825
   46    HE   ARG   5           HE       ARG   5  -5.768  14.724   3.162
   47   HH11  ARG   5          HH11      ARG   5  -4.724  17.840   2.010
   48   HH12  ARG   5          HH12      ARG   5  -4.970  18.630   3.532
   49   HH21  ARG   5          HH22      ARG   5  -6.095  15.754   5.171
   50   HH22  ARG   5          HH21      ARG   5  -5.748  17.441   5.329
   51    H    ARG   6           H        ARG   6  -1.576  12.574  -2.099
   52    HA   ARG   6           HA       ARG   6   0.448  11.545  -1.938
   53    HB3  ARG   6           HB3      ARG   6   1.903  12.556  -0.008
   54    HG3  ARG   6           HG3      ARG   6   1.232  14.859  -1.597
   55    HD3  ARG   6           HD3      ARG   6   3.577  13.017  -1.940
   56    HE   ARG   6           HE       ARG   6   3.077  15.461  -3.046
   57   HH11  ARG   6          HH11      ARG   6   5.480  14.187  -0.872
   58   HH12  ARG   6          HH12      ARG   6   6.720  15.278  -1.395
   59   HH21  ARG   6          HH22      ARG   6   4.703  16.902  -3.743
   60   HH22  ARG   6          HH21      ARG   6   6.276  16.823  -3.028
   61    HA   PRO   7           HA       PRO   7  -1.095   8.757   1.470
   62    HB3  PRO   7           HB3      PRO   7  -2.650   7.764   0.103
   63    HG3  PRO   7           HG3      PRO   7  -2.422   7.815  -2.211
   64    HD3  PRO   7           HD3      PRO   7  -2.117  10.050  -1.733
   65    HA   PRO   8           HA       PRO   8   2.730   6.710   2.184
   66    HB3  PRO   8           HB3      PRO   8   1.810   5.810   4.088
   67    HG3  PRO   8           HG3      PRO   8  -0.394   5.074   4.121
   68    HD3  PRO   8           HD3      PRO   8  -0.692   7.170   3.210
   69    H    CYS   9           H        CYS   9   0.413   4.425   0.717
   70    HA   CYS   9           HA       CYS   9   2.226   2.641  -0.372
   71    HB3  CYS   9           HB3      CYS   9  -0.137   3.254  -2.044
   72    H    GLU  10           H        GLU  10   1.361   5.833  -1.429
   73    HA   GLU  10           HA       GLU  10   2.490   5.545  -4.063
   74    HB3  GLU  10           HB3      GLU  10   2.294   8.190  -3.831
   75    HG3  GLU  10           HG3      GLU  10  -0.219   7.963  -4.277
   76    H    ASP  11           H        ASP  11   3.404   7.311  -1.109
   77    HA   ASP  11           HA       ASP  11   5.781   8.416  -1.947
   78    HB3  ASP  11           HB3      ASP  11   6.246   7.557   0.695
   79    H    VAL  12           H        VAL  12   5.311   5.210  -0.477
   80    HA   VAL  12           HA       VAL  12   8.070   4.489  -1.011
   81    HB   VAL  12           HB       VAL  12   7.613   2.427   0.132
   82   HG11  VAL  12          HG11      VAL  12   8.023   4.226   1.622
   83   HG12  VAL  12          HG12      VAL  12   6.373   4.829   1.455
   84   HG13  VAL  12          HG13      VAL  12   6.677   3.309   2.298
   85   HG21  VAL  12          HG21      VAL  12   4.969   2.618   1.023
   86   HG22  VAL  12          HG22      VAL  12   4.911   2.955  -0.709
   87   HG23  VAL  12          HG23      VAL  12   5.629   1.453  -0.126
   88    H    ASN  13           H        ASN  13   5.137   4.397  -2.666
   89    HA   ASN  13           HA       ASN  13   4.393   3.342  -4.545
   90    HB3  ASN  13           HB3      ASN  13   6.122   2.909  -6.271
   91   HD21  ASN  13          HD22      ASN  13   7.924   5.212  -4.491
   92   HD22  ASN  13          HD21      ASN  13   7.268   6.629  -5.230
   93    H    GLY  14           H        GLY  14   3.612   1.571  -3.185
   94    HA2  GLY  14           HA2      GLY  14   5.202  -0.896  -3.475
   95    HA3  GLY  14           HA3      GLY  14   3.970  -0.634  -2.250
   96    H    GLN  15           H        GLN  15   3.079  -2.675  -2.956
   97    HA   GLN  15           HA       GLN  15   1.546  -2.439  -5.461
   98    HB3  GLN  15           HB3      GLN  15   1.479  -4.978  -5.360
   99    HG3  GLN  15           HG3      GLN  15   3.952  -5.242  -5.989
  100   HE21  GLN  15          HE22      GLN  15   3.079  -2.174  -7.294
  101   HE22  GLN  15          HE21      GLN  15   2.421  -2.753  -8.784
  102    H    CYS  16           H        CYS  16  -0.442  -3.993  -5.371
  103    HA   CYS  16           HA       CYS  16  -1.781  -3.607  -2.774
  104    HB3  CYS  16           HB3      CYS  16  -3.909  -3.444  -4.185
  105    H    GLN  17           H        GLN  17  -1.275  -5.716  -2.102
  106    HA   GLN  17           HA       GLN  17  -2.710  -7.836  -3.561
  107    HB3  GLN  17           HB3      GLN  17  -0.988  -9.290  -3.289
  108    HG3  GLN  17           HG3      GLN  17   0.811  -7.012  -2.623
  109   HE21  GLN  17          HE22      GLN  17   1.317  -9.688  -2.253
  110   HE22  GLN  17          HE21      GLN  17   2.437 -10.233  -3.451
  111    HA   PRO  18           HA       PRO  18  -5.086  -8.703   0.022
  112    HB3  PRO  18           HB3      PRO  18  -6.100 -10.383  -1.173
  113    HG3  PRO  18           HG3      PRO  18  -4.884 -11.709  -2.645
  114    HD3  PRO  18           HD3      PRO  18  -4.214  -9.620  -3.350
  115    H    ARG  19           H        ARG  19  -5.125 -10.486   1.915
  116    HA   ARG  19           HA       ARG  19  -2.550 -10.180   3.245
  117    HB3  ARG  19           HB3      ARG  19  -4.474  -9.488   4.517
  118    HG3  ARG  19           HG3      ARG  19  -5.815 -11.824   5.216
  119    HD3  ARG  19           HD3      ARG  19  -6.855  -9.864   3.201
  120    HE   ARG  19           HE       ARG  19  -8.094 -11.706   4.936
  121   HH11  ARG  19          HH11      ARG  19  -8.410  -8.438   3.779
  122   HH12  ARG  19          HH12      ARG  19 -10.128  -8.391   3.987
  123   HH21  ARG  19          HH22      ARG  19 -10.358 -11.657   5.214
  124   HH22  ARG  19          HH21      ARG  19 -11.236 -10.223   4.803
  125    H    GLY  20           H        GLY  20  -2.404 -12.010   1.201
  126    HA2  GLY  20           HA2      GLY  20  -1.807 -14.440   2.704
  127    HA3  GLY  20           HA3      GLY  20  -2.926 -14.598   1.359
  128    H    ASN  21           H        ASN  21  -0.061 -12.532   1.566
  129    HA   ASN  21           HA       ASN  21   1.185 -14.170  -0.539
  130    HB3  ASN  21           HB3      ASN  21   0.861 -12.424  -1.922
  131   HD21  ASN  21          HD22      ASN  21  -1.156 -11.636  -1.842
  132   HD22  ASN  21          HD21      ASN  21  -1.645 -10.290  -0.876
  133    HA   PRO  22           HA       PRO  22   4.811 -14.213   1.936
  134    HB3  PRO  22           HB3      PRO  22   5.680 -15.701   0.416
  135    HG3  PRO  22           HG3      PRO  22   5.241 -15.489  -1.857
  136    HD3  PRO  22           HD3      PRO  22   3.096 -15.342  -1.024
  137    H    CYS  23           H        CYS  23   4.255 -11.693  -0.348
  138    HA   CYS  23           HA       CYS  23   6.559 -10.138  -0.012
  139    HB3  CYS  23           HB3      CYS  23   4.684  -9.831  -1.714
  140    H    LEU  24           H        LEU  24   5.839  -7.663   0.868
  141    HA   LEU  24           HA       LEU  24   5.504  -8.130   3.745
  142    HB3  LEU  24           HB3      LEU  24   6.276  -5.465   3.262
  143    HG   LEU  24           HG       LEU  24   8.100  -7.735   4.053
  144   HD11  LEU  24          HD11      LEU  24   8.952  -5.485   5.329
  145   HD12  LEU  24          HD12      LEU  24   8.436  -4.842   3.772
  146   HD13  LEU  24          HD13      LEU  24   9.641  -6.127   3.839
  147   HD21  LEU  24          HD21      LEU  24   7.609  -6.983   6.364
  148   HD22  LEU  24          HD22      LEU  24   6.214  -7.682   5.544
  149   HD23  LEU  24          HD23      LEU  24   6.349  -5.931   5.719
  150    H    ARG  25           H        ARG  25   4.613  -5.997   4.850
  151    HA   ARG  25           HA       ARG  25   2.172  -5.212   3.399
  152    HB3  ARG  25           HB3      ARG  25   1.744  -6.819   5.256
  153    HG3  ARG  25           HG3      ARG  25   1.748  -5.712   7.572
  154    HD3  ARG  25           HD3      ARG  25   4.523  -6.173   7.271
  155    HE   ARG  25           HE       ARG  25   2.931  -8.439   7.994
  156   HH11  ARG  25          HH11      ARG  25   4.034  -5.306   9.039
  157   HH12  ARG  25          HH12      ARG  25   3.869  -5.665  10.725
  158   HH21  ARG  25          HH22      ARG  25   2.709  -8.924  10.212
  159   HH22  ARG  25          HH21      ARG  25   3.116  -7.724  11.392
  160    H    LEU  26           H        LEU  26   1.274  -3.133   3.991
  161    HA   LEU  26           HA       LEU  26   3.191  -1.297   5.249
  162    HB3  LEU  26           HB3      LEU  26   2.248   0.359   3.431
  163    HG   LEU  26           HG       LEU  26   4.595  -1.364   3.364
  164   HD11  LEU  26          HD11      LEU  26   4.052  -0.127   0.730
  165   HD12  LEU  26          HD12      LEU  26   3.247  -1.653   1.087
  166   HD13  LEU  26          HD13      LEU  26   5.006  -1.552   1.142
  167   HD21  LEU  26          HD21      LEU  26   4.004   1.489   2.593
  168   HD22  LEU  26          HD22      LEU  26   5.614   0.767   2.573
  169   HD23  LEU  26          HD23      LEU  26   4.730   0.913   4.093
  170    H    ARG  27           H        ARG  27   0.057  -0.839   3.633
  171    HA   ARG  27           HA       ARG  27  -1.330  -0.468   6.126
  172    HB3  ARG  27           HB3      ARG  27  -2.040   1.919   5.253
  173    HG3  ARG  27           HG3      ARG  27  -0.377   1.095   7.265
  174    HD3  ARG  27           HD3      ARG  27   1.057   3.371   5.959
  175    HE   ARG  27           HE       ARG  27   1.428   2.007   8.360
  176   HH11  ARG  27          HH11      ARG  27   3.295   3.017   5.601
  177   HH12  ARG  27          HH12      ARG  27   4.773   3.166   6.492
  178   HH21  ARG  27          HH22      ARG  27   3.367   2.200   9.544
  179   HH22  ARG  27          HH21      ARG  27   4.813   2.701   8.735
  180    H    GLY  28           H        GLY  28  -3.568   0.800   5.390
  181    HA2  GLY  28           HA2      GLY  28  -4.722  -1.068   3.481
  182    HA3  GLY  28           HA3      GLY  28  -5.604   0.040   4.519
  183    H    ALA  29           H        ALA  29  -2.956   1.249   2.653
  184    HA   ALA  29           HA       ALA  29  -4.689   3.066   1.263
  185    HB1  ALA  29           HB1      ALA  29  -2.400   3.613   0.106
  186    HB2  ALA  29           HB2      ALA  29  -2.703   4.091   1.778
  187    HB3  ALA  29           HB3      ALA  29  -1.743   2.652   1.431
  188    H    CYS  30           H        CYS  30  -5.748   0.898   0.398
  189    HA   CYS  30           HA       CYS  30  -4.997   0.759  -2.395
  190    HB3  CYS  30           HB3      CYS  30  -5.258  -1.885  -2.082
  191    HA   PRO  31           HA       PRO  31  -9.305   0.258  -3.047
  192    HB3  PRO  31           HB3      PRO  31  -8.876   0.238  -5.304
  193    HG3  PRO  31           HG3      PRO  31  -7.008  -0.851  -6.161
  194    HD3  PRO  31           HD3      PRO  31  -6.013   0.399  -4.499
  195    H    ARG  32           H        ARG  32 -11.094  -1.101  -2.727
  196    HA   ARG  32           HA       ARG  32 -10.899  -3.081  -0.832
  197    HB3  ARG  32           HB3      ARG  32 -13.016  -2.047  -1.301
  198    HG3  ARG  32           HG3      ARG  32 -14.123  -3.241  -3.496
  199    HD3  ARG  32           HD3      ARG  32 -12.754  -0.596  -3.758
  200    HE   ARG  32           HE       ARG  32 -14.298  -0.588  -5.435
  201   HH11  ARG  32          HH11      ARG  32 -15.725  -2.047  -2.615
  202   HH12  ARG  32          HH12      ARG  32 -17.303  -2.176  -3.321
  203   HH21  ARG  32          HH22      ARG  32 -16.369  -0.752  -6.374
  204   HH22  ARG  32          HH21      ARG  32 -17.668  -1.440  -5.459
  205    H    GLY  33           H        GLY  33 -10.461  -5.211  -0.800
  206    HA2  GLY  33           HA2      GLY  33 -10.585  -7.395  -1.861
  207    HA3  GLY  33           HA3      GLY  33 -10.232  -6.605  -3.392
  208    H    SER  34           H        SER  34  -8.202  -4.930  -1.784
  209    HA   SER  34           HA       SER  34  -6.155  -6.922  -1.236
  210    HB3  SER  34           HB3      SER  34  -4.549  -5.980  -2.808
  211    HG   SER  34           HG       SER  34  -5.410  -7.353  -4.132
  212    H    ARG  35           H        ARG  35  -4.000  -5.643  -0.735
  213    HA   ARG  35           HA       ARG  35  -4.584  -3.131   0.644
  214    HB3  ARG  35           HB3      ARG  35  -4.890  -4.952   2.292
  215    HG3  ARG  35           HG3      ARG  35  -2.069  -5.609   1.540
  216    HD3  ARG  35           HD3      ARG  35  -2.123  -5.206   3.971
  217    HE   ARG  35           HE       ARG  35  -4.592  -6.524   3.930
  218   HH11  ARG  35          HH11      ARG  35  -1.648  -6.445   5.786
  219   HH12  ARG  35          HH12      ARG  35  -2.415  -6.910   7.268
  220   HH21  ARG  35          HH22      ARG  35  -5.615  -7.137   5.875
  221   HH22  ARG  35          HH21      ARG  35  -4.672  -7.305   7.317
  222    H    CYS  36           H        CYS  36  -2.666  -1.926   1.235
  223    HA   CYS  36           HA       CYS  36  -0.710  -1.940  -0.801
  224    HB3  CYS  36           HB3      CYS  36  -0.618  -0.554   1.887
  225    H    CYS  37           H        CYS  37   0.704  -3.555  -1.010
  226    HA   CYS  37           HA       CYS  37   2.074  -4.530   1.409
  227    HB3  CYS  37           HB3      CYS  37   0.863  -5.916  -0.825
  228    H    MET  38           H        MET  38   4.299  -4.694   1.425
  229    HA   MET  38           HA       MET  38   5.695  -2.914  -0.338
  230    HB3  MET  38           HB3      MET  38   7.327  -4.672   1.357
  231    HG3  MET  38           HG3      MET  38   7.742  -2.244   2.347
  232    HE1  MET  38           HE1      MET  38  10.889  -1.231   0.300
  233    HE2  MET  38           HE2      MET  38   9.383  -0.746  -0.479
  234    HE3  MET  38           HE3      MET  38   9.545  -0.631   1.273
  235    HA   PRO  39           HA       PRO  39   6.742  -5.925  -3.409
  236    HB3  PRO  39           HB3      PRO  39   6.861  -4.155  -4.868
  237    HG3  PRO  39           HG3      PRO  39   7.556  -2.054  -4.153
  238    HD3  PRO  39           HD3      PRO  39   5.968  -2.515  -2.547
  239    H    THR  40           H        THR  40   8.935  -6.678  -4.445
  240    HA   THR  40           HA       THR  40  10.862  -7.085  -2.250
  241    HB   THR  40           HB       THR  40   9.629  -9.147  -2.805
  242    HG1  THR  40           HG1      THR  40  11.715  -9.474  -2.096
  243   HG21  THR  40          HG21      THR  40  10.940  -9.670  -5.335
  244   HG22  THR  40          HG22      THR  40   9.877  -8.266  -5.434
  245   HG23  THR  40          HG23      THR  40   9.238  -9.821  -4.899
  246    H    VAL  41           H        VAL  41  11.053  -4.919  -4.040
  247    HA   VAL  41           HA       VAL  41  12.986  -5.610  -6.081
  248    HB   VAL  41           HB       VAL  41  13.013  -3.248  -6.631
  249   HG11  VAL  41          HG11      VAL  41  10.927  -3.163  -7.570
  250   HG12  VAL  41          HG12      VAL  41  11.003  -4.871  -7.136
  251   HG13  VAL  41          HG13      VAL  41  10.123  -3.737  -6.111
  252   HG21  VAL  41          HG21      VAL  41  11.189  -1.907  -5.196
  253   HG22  VAL  41          HG22      VAL  41  11.791  -3.003  -3.951
  254   HG23  VAL  41          HG23      VAL  41  12.906  -1.926  -4.793
  255    H    ALA  42           H        ALA  42  15.058  -4.371  -6.211
  256    HA   ALA  42           HA       ALA  42  16.288  -4.200  -3.538
  257    HB1  ALA  42           HB1      ALA  42  17.241  -5.300  -6.119
  258    HB2  ALA  42           HB2      ALA  42  18.429  -4.509  -5.085
  259    HB3  ALA  42           HB3      ALA  42  17.501  -5.878  -4.474
  260    H    ALA  43           H        ALA  43  15.755  -1.992  -3.274
  261    HA   ALA  43           HA       ALA  43  17.480  -0.194  -4.832
  262    HB1  ALA  43           HB1      ALA  43  14.708  -0.236  -5.040
  263    HB2  ALA  43           HB2      ALA  43  15.058   1.134  -3.987
  264    HB3  ALA  43           HB3      ALA  43  15.793   1.042  -5.587
  265    H    HIS  44           H        HIS  44  17.007   2.159  -3.582
  266    HA   HIS  44           HA       HIS  44  17.557   3.400  -1.756
  267    HB3  HIS  44           HB3      HIS  44  17.065   1.864   0.485
  268    HD1  HIS  44           HD1      HIS  44  16.521   4.152   1.434
  269    HD2  HIS  44           HD2      HIS  44  13.987   3.023  -1.658
  270    HE1  HIS  44           HE1      HIS  44  14.662   5.845   1.438
  Start of MODEL   11
    1    H1   ARG   1           H1       ARG   1  -3.151   2.094  -6.424
    2    HA   ARG   1           HA       ARG   1  -2.562   4.297  -6.428
    3    HB3  ARG   1           HB3      ARG   1  -1.609   3.879  -8.539
    4    HG3  ARG   1           HG3      ARG   1  -4.349   4.046  -9.777
    5    HD3  ARG   1           HD3      ARG   1  -2.230   4.863 -11.045
    6    HE   ARG   1           HE       ARG   1  -1.222   2.422 -10.488
    7   HH11  ARG   1          HH11      ARG   1  -2.219   3.966 -13.444
    8   HH12  ARG   1          HH12      ARG   1  -1.083   3.108 -14.431
    9   HH21  ARG   1          HH22      ARG   1   0.280   1.285 -11.775
   10   HH22  ARG   1          HH21      ARG   1   0.337   1.582 -13.479
   11    H    ARG   2           H        ARG   2  -3.358   6.392  -6.225
   12    HA   ARG   2           HA       ARG   2  -6.089   6.943  -7.073
   13    HB3  ARG   2           HB3      ARG   2  -6.317   7.887  -4.571
   14    HG3  ARG   2           HG3      ARG   2  -7.182   5.424  -4.018
   15    HD3  ARG   2           HD3      ARG   2  -8.274   7.793  -5.126
   16    HE   ARG   2           HE       ARG   2  -8.920   5.536  -6.754
   17   HH11  ARG   2          HH11      ARG   2 -10.199   8.448  -5.339
   18   HH12  ARG   2          HH12      ARG   2 -11.433   8.646  -6.540
   19   HH21  ARG   2          HH22      ARG   2 -10.539   5.785  -8.342
   20   HH22  ARG   2          HH21      ARG   2 -11.625   7.130  -8.247
   21    H    ARG   3           H        ARG   3  -3.436   8.214  -5.055
   22    HA   ARG   3           HA       ARG   3  -2.420  10.247  -4.979
   23    HB3  ARG   3           HB3      ARG   3  -3.465  10.667  -7.778
   24    HG3  ARG   3           HG3      ARG   3  -0.914  11.580  -6.464
   25    HD3  ARG   3           HD3      ARG   3  -1.685  11.293  -9.212
   26    HE   ARG   3           HE       ARG   3  -2.190  13.468  -9.675
   27   HH11  ARG   3          HH11      ARG   3   0.288  13.395  -7.230
   28   HH12  ARG   3          HH12      ARG   3   0.514  15.113  -7.225
   29   HH21  ARG   3          HH22      ARG   3  -1.901  15.730  -9.677
   30   HH22  ARG   3          HH21      ARG   3  -0.731  16.440  -8.616
   31    H    ARG   4           H        ARG   4  -4.524  10.432  -3.541
   32    HA   ARG   4           HA       ARG   4  -5.979  12.832  -4.440
   33    HB3  ARG   4           HB3      ARG   4  -7.701  11.985  -2.670
   34    HG3  ARG   4           HG3      ARG   4  -8.226  10.067  -4.611
   35    HD3  ARG   4           HD3      ARG   4  -9.493  12.180  -3.558
   36    HE   ARG   4           HE       ARG   4  -8.281  13.293  -5.873
   37   HH11  ARG   4          HH11      ARG   4 -11.259  13.213  -4.070
   38   HH12  ARG   4          HH12      ARG   4 -11.776  14.778  -4.603
   39   HH21  ARG   4          HH22      ARG   4  -8.952  15.354  -6.583
   40   HH22  ARG   4          HH21      ARG   4 -10.463  15.996  -6.034
   41    H    ARG   5           H        ARG   5  -5.183  11.118  -1.410
   42    HA   ARG   5           HA       ARG   5  -4.568  13.739  -0.213
   43    HB3  ARG   5           HB3      ARG   5  -5.332  11.298   1.368
   44    HG3  ARG   5           HG3      ARG   5  -5.990  14.125   2.063
   45    HD3  ARG   5           HD3      ARG   5  -5.237  12.720   4.310
   46    HE   ARG   5           HE       ARG   5  -7.602  13.854   3.402
   47   HH11  ARG   5          HH11      ARG   5  -6.609  11.197   5.421
   48   HH12  ARG   5          HH12      ARG   5  -8.027  11.253   6.417
   49   HH21  ARG   5          HH22      ARG   5  -9.473  13.938   4.705
   50   HH22  ARG   5          HH21      ARG   5  -9.656  12.813   6.007
   51    H    ARG   6           H        ARG   6  -2.768  11.966  -1.713
   52    HA   ARG   6           HA       ARG   6  -0.665  11.101  -1.596
   53    HB3  ARG   6           HB3      ARG   6   0.834  12.118   0.094
   54    HG3  ARG   6           HG3      ARG   6  -0.726  14.487  -0.620
   55    HD3  ARG   6           HD3      ARG   6   1.467  14.917  -1.866
   56    HE   ARG   6           HE       ARG   6   0.940  15.209   0.833
   57   HH11  ARG   6          HH11      ARG   6   3.731  14.812  -1.210
   58   HH12  ARG   6          HH12      ARG   6   4.787  15.699  -0.162
   59   HH21  ARG   6          HH22      ARG   6   2.321  16.380   2.221
   60   HH22  ARG   6          HH21      ARG   6   3.984  16.591   1.790
   61    HA   PRO   7           HA       PRO   7  -2.027   7.933   1.531
   62    HB3  PRO   7           HB3      PRO   7  -3.424   6.907   0.022
   63    HG3  PRO   7           HG3      PRO   7  -3.109   7.159  -2.267
   64    HD3  PRO   7           HD3      PRO   7  -3.043   9.368  -1.612
   65    HA   PRO   8           HA       PRO   8   1.945   6.199   2.271
   66    HB3  PRO   8           HB3      PRO   8   1.037   5.057   4.046
   67    HG3  PRO   8           HG3      PRO   8  -1.083   4.113   3.908
   68    HD3  PRO   8           HD3      PRO   8  -1.547   6.242   3.155
   69    H    CYS   9           H        CYS   9  -0.139   4.143   0.270
   70    HA   CYS   9           HA       CYS   9   1.970   2.585  -0.823
   71    HB3  CYS   9           HB3      CYS   9  -0.322   2.809  -2.582
   72    H    GLU  10           H        GLU  10   1.080   5.784  -1.304
   73    HA   GLU  10           HA       GLU  10   2.030   5.883  -4.063
   74    HB3  GLU  10           HB3      GLU  10   1.530   8.465  -3.456
   75    HG3  GLU  10           HG3      GLU  10  -0.787   8.146  -4.268
   76    H    ASP  11           H        ASP  11   2.765   7.374  -0.917
   77    HA   ASP  11           HA       ASP  11   5.041   8.789  -1.710
   78    HB3  ASP  11           HB3      ASP  11   5.452   7.930   0.955
   79    H    VAL  12           H        VAL  12   4.686   5.474  -0.534
   80    HA   VAL  12           HA       VAL  12   7.550   5.013  -0.967
   81    HB   VAL  12           HB       VAL  12   7.318   2.984   0.288
   82   HG11  VAL  12          HG11      VAL  12   7.583   4.904   1.671
   83   HG12  VAL  12          HG12      VAL  12   5.867   5.301   1.554
   84   HG13  VAL  12          HG13      VAL  12   6.383   3.866   2.441
   85   HG21  VAL  12          HG21      VAL  12   4.710   2.936   1.261
   86   HG22  VAL  12          HG22      VAL  12   4.542   3.236  -0.469
   87   HG23  VAL  12          HG23      VAL  12   5.428   1.820   0.098
   88    H    ASN  13           H        ASN  13   4.915   4.976  -2.809
   89    HA   ASN  13           HA       ASN  13   4.114   3.728  -4.567
   90    HB3  ASN  13           HB3      ASN  13   5.924   4.829  -5.662
   91   HD21  ASN  13          HD22      ASN  13   7.500   5.589  -4.239
   92   HD22  ASN  13          HD21      ASN  13   8.993   4.752  -4.005
   93    H    GLY  14           H        GLY  14   3.278   1.988  -3.257
   94    HA2  GLY  14           HA2      GLY  14   4.928  -0.456  -3.329
   95    HA3  GLY  14           HA3      GLY  14   3.612  -0.168  -2.201
   96    H    GLN  15           H        GLN  15   3.007  -2.361  -3.005
   97    HA   GLN  15           HA       GLN  15   1.465  -2.155  -5.508
   98    HB3  GLN  15           HB3      GLN  15   1.647  -4.760  -5.363
   99    HG3  GLN  15           HG3      GLN  15   4.120  -4.539  -6.277
  100   HE21  GLN  15          HE22      GLN  15   3.868  -2.938  -8.611
  101   HE22  GLN  15          HE21      GLN  15   2.601  -3.614  -9.572
  102    H    CYS  16           H        CYS  16  -0.487  -3.553  -5.579
  103    HA   CYS  16           HA       CYS  16  -1.830  -3.519  -2.962
  104    HB3  CYS  16           HB3      CYS  16  -3.918  -3.279  -4.151
  105    H    GLN  17           H        GLN  17  -1.317  -5.540  -2.193
  106    HA   GLN  17           HA       GLN  17  -2.399  -7.802  -3.741
  107    HB3  GLN  17           HB3      GLN  17  -0.532  -9.032  -3.442
  108    HG3  GLN  17           HG3      GLN  17   0.893  -6.580  -2.493
  109   HE21  GLN  17          HE22      GLN  17   2.999  -6.429  -3.485
  110   HE22  GLN  17          HE21      GLN  17   3.835  -7.872  -3.937
  111    HA   PRO  18           HA       PRO  18  -4.839  -8.930  -0.277
  112    HB3  PRO  18           HB3      PRO  18  -5.562 -10.745  -1.488
  113    HG3  PRO  18           HG3      PRO  18  -4.105 -11.932  -2.857
  114    HD3  PRO  18           HD3      PRO  18  -3.661  -9.785  -3.571
  115    H    ARG  19           H        ARG  19  -4.724 -10.805   1.597
  116    HA   ARG  19           HA       ARG  19  -2.390 -10.040   3.150
  117    HB3  ARG  19           HB3      ARG  19  -4.526  -9.875   4.256
  118    HG3  ARG  19           HG3      ARG  19  -5.123 -12.683   4.570
  119    HD3  ARG  19           HD3      ARG  19  -7.091 -10.991   3.252
  120    HE   ARG  19           HE       ARG  19  -7.067 -12.868   5.370
  121   HH11  ARG  19          HH11      ARG  19  -8.750 -10.043   4.225
  122   HH12  ARG  19          HH12      ARG  19 -10.247 -10.465   4.991
  123   HH21  ARG  19          HH22      ARG  19  -9.031 -13.434   6.382
  124   HH22  ARG  19          HH21      ARG  19 -10.405 -12.393   6.218
  125    H    GLY  20           H        GLY  20  -3.524 -12.716   1.328
  126    HA2  GLY  20           HA2      GLY  20  -1.844 -14.654   2.699
  127    HA3  GLY  20           HA3      GLY  20  -2.879 -14.964   1.313
  128    H    ASN  21           H        ASN  21   0.084 -13.195   2.192
  129    HA   ASN  21           HA       ASN  21   1.516 -14.394   0.010
  130    HB3  ASN  21           HB3      ASN  21   0.852 -12.801  -1.474
  131   HD21  ASN  21          HD22      ASN  21  -0.506 -11.185  -2.004
  132   HD22  ASN  21          HD21      ASN  21  -1.286 -10.152  -0.858
  133    HA   PRO  22           HA       PRO  22   4.860 -13.709   2.779
  134    HB3  PRO  22           HB3      PRO  22   6.026 -15.249   1.533
  135    HG3  PRO  22           HG3      PRO  22   5.762 -15.369  -0.775
  136    HD3  PRO  22           HD3      PRO  22   3.553 -15.397  -0.122
  137    H    CYS  23           H        CYS  23   4.029 -11.514   0.331
  138    HA   CYS  23           HA       CYS  23   6.058  -9.664   0.257
  139    HB3  CYS  23           HB3      CYS  23   3.980  -9.525  -1.080
  140    H    LEU  24           H        LEU  24   6.072  -7.462   1.299
  141    HA   LEU  24           HA       LEU  24   5.893  -7.815   4.192
  142    HB3  LEU  24           HB3      LEU  24   6.967  -5.280   3.283
  143    HG   LEU  24           HG       LEU  24   8.467  -7.513   4.641
  144   HD11  LEU  24          HD11      LEU  24   9.129  -4.847   3.764
  145   HD12  LEU  24          HD12      LEU  24  10.174  -6.111   4.409
  146   HD13  LEU  24          HD13      LEU  24   9.336  -5.015   5.507
  147   HD21  LEU  24          HD21      LEU  24   6.498  -7.036   5.954
  148   HD22  LEU  24          HD22      LEU  24   6.810  -5.304   5.852
  149   HD23  LEU  24          HD23      LEU  24   7.916  -6.347   6.746
  150    H    ARG  25           H        ARG  25   3.809  -7.450   4.787
  151    HA   ARG  25           HA       ARG  25   1.988  -5.683   3.730
  152    HB3  ARG  25           HB3      ARG  25   1.488  -5.634   6.481
  153    HG3  ARG  25           HG3      ARG  25   0.103  -6.411   4.333
  154    HD3  ARG  25           HD3      ARG  25   1.380  -8.568   4.257
  155    HE   ARG  25           HE       ARG  25   1.551  -9.645   6.258
  156   HH11  ARG  25          HH11      ARG  25  -1.678  -8.381   5.948
  157   HH12  ARG  25          HH12      ARG  25  -2.250  -9.126   7.403
  158   HH21  ARG  25          HH22      ARG  25   0.811 -10.632   8.177
  159   HH22  ARG  25          HH21      ARG  25  -0.833 -10.405   8.672
  160    H    LEU  26           H        LEU  26   1.797  -3.541   3.647
  161    HA   LEU  26           HA       LEU  26   3.617  -1.922   5.288
  162    HB3  LEU  26           HB3      LEU  26   2.739  -0.141   3.537
  163    HG   LEU  26           HG       LEU  26   5.003  -1.972   3.410
  164   HD11  LEU  26          HD11      LEU  26   4.522  -0.605   0.829
  165   HD12  LEU  26          HD12      LEU  26   3.648  -2.107   1.126
  166   HD13  LEU  26          HD13      LEU  26   5.410  -2.087   1.183
  167   HD21  LEU  26          HD21      LEU  26   5.260   0.258   4.229
  168   HD22  LEU  26          HD22      LEU  26   4.544   0.936   2.768
  169   HD23  LEU  26          HD23      LEU  26   6.117   0.145   2.691
  170    H    ARG  27           H        ARG  27   0.508  -1.158   3.746
  171    HA   ARG  27           HA       ARG  27  -0.811  -0.780   6.277
  172    HB3  ARG  27           HB3      ARG  27  -1.351   1.681   5.529
  173    HG3  ARG  27           HG3      ARG  27   0.344   0.646   7.426
  174    HD3  ARG  27           HD3      ARG  27   1.829   2.882   6.086
  175    HE   ARG  27           HE       ARG  27   3.202   1.021   7.794
  176   HH11  ARG  27          HH11      ARG  27   1.333   3.955   7.665
  177   HH12  ARG  27          HH12      ARG  27   1.955   4.572   9.159
  178   HH21  ARG  27          HH22      ARG  27   4.029   1.822   9.763
  179   HH22  ARG  27          HH21      ARG  27   3.490   3.358  10.352
  180    H    GLY  28           H        GLY  28  -2.968   0.645   5.653
  181    HA2  GLY  28           HA2      GLY  28  -4.521  -1.091   4.090
  182    HA3  GLY  28           HA3      GLY  28  -5.006   0.517   4.607
  183    H    ALA  29           H        ALA  29  -5.142   2.102   3.129
  184    HA   ALA  29           HA       ALA  29  -5.322   3.037   1.054
  185    HB1  ALA  29           HB1      ALA  29  -2.655   2.737   1.696
  186    HB2  ALA  29           HB2      ALA  29  -2.758   2.109   0.050
  187    HB3  ALA  29           HB3      ALA  29  -3.310   3.745   0.406
  188    H    CYS  30           H        CYS  30  -4.348   2.377  -1.433
  189    HA   CYS  30           HA       CYS  30  -4.816   1.116  -3.267
  190    HB3  CYS  30           HB3      CYS  30  -4.998  -1.475  -2.668
  191    HA   PRO  31           HA       PRO  31  -9.150   0.508  -3.550
  192    HB3  PRO  31           HB3      PRO  31  -8.880   0.252  -5.818
  193    HG3  PRO  31           HG3      PRO  31  -7.058  -0.903  -6.685
  194    HD3  PRO  31           HD3      PRO  31  -5.970   0.526  -5.242
  195    H    ARG  32           H        ARG  32 -10.908  -0.887  -3.059
  196    HA   ARG  32           HA       ARG  32 -10.559  -2.621  -0.945
  197    HB3  ARG  32           HB3      ARG  32 -12.842  -3.262  -1.224
  198    HG3  ARG  32           HG3      ARG  32 -12.158  -0.625  -1.167
  199    HD3  ARG  32           HD3      ARG  32 -12.716  -0.711  -3.704
  200    HE   ARG  32           HE       ARG  32 -15.176  -1.553  -2.830
  201   HH11  ARG  32          HH11      ARG  32 -13.956   1.158  -4.640
  202   HH12  ARG  32          HH12      ARG  32 -15.407   1.358  -5.567
  203   HH21  ARG  32          HH22      ARG  32 -17.091  -1.300  -4.042
  204   HH22  ARG  32          HH21      ARG  32 -17.190  -0.039  -5.226
  205    H    GLY  33           H        GLY  33 -10.604  -4.886  -0.720
  206    HA2  GLY  33           HA2      GLY  33 -10.512  -7.109  -1.487
  207    HA3  GLY  33           HA3      GLY  33 -10.322  -6.510  -3.129
  208    H    SER  34           H        SER  34  -8.186  -4.625  -2.037
  209    HA   SER  34           HA       SER  34  -6.045  -6.572  -1.559
  210    HB3  SER  34           HB3      SER  34  -5.579  -6.332  -3.789
  211    HG   SER  34           HG       SER  34  -6.775  -5.011  -4.883
  212    H    ARG  35           H        ARG  35  -4.103  -5.645  -0.661
  213    HA   ARG  35           HA       ARG  35  -4.519  -3.008   0.582
  214    HB3  ARG  35           HB3      ARG  35  -4.893  -4.846   2.206
  215    HG3  ARG  35           HG3      ARG  35  -2.363  -5.665   2.908
  216    HD3  ARG  35           HD3      ARG  35  -3.102  -7.873   2.245
  217    HE   ARG  35           HE       ARG  35  -4.525  -6.413   3.989
  218   HH11  ARG  35          HH11      ARG  35  -5.472  -8.714   1.553
  219   HH12  ARG  35          HH12      ARG  35  -6.880  -9.241   2.414
  220   HH21  ARG  35          HH22      ARG  35  -6.376  -7.099   5.132
  221   HH22  ARG  35          HH21      ARG  35  -7.392  -8.322   4.449
  222    H    CYS  36           H        CYS  36  -2.451  -2.038   1.390
  223    HA   CYS  36           HA       CYS  36  -0.520  -2.051  -0.713
  224    HB3  CYS  36           HB3      CYS  36  -0.180  -0.744   1.983
  225    H    CYS  37           H        CYS  37   1.002  -3.539  -0.947
  226    HA   CYS  37           HA       CYS  37   2.346  -4.570   1.460
  227    HB3  CYS  37           HB3      CYS  37   2.290  -6.449  -0.779
  228    H    MET  38           H        MET  38   4.545  -5.114   1.221
  229    HA   MET  38           HA       MET  38   5.907  -3.541  -0.784
  230    HB3  MET  38           HB3      MET  38   7.450  -5.323   1.016
  231    HG3  MET  38           HG3      MET  38   8.496  -3.003   1.515
  232    HE1  MET  38           HE1      MET  38  10.467  -3.612   1.657
  233    HE2  MET  38           HE2      MET  38  11.438  -4.666   0.629
  234    HE3  MET  38           HE3      MET  38  11.384  -2.933   0.311
  235    HA   PRO  39           HA       PRO  39   6.360  -6.922  -3.616
  236    HB3  PRO  39           HB3      PRO  39   6.362  -5.324  -5.268
  237    HG3  PRO  39           HG3      PRO  39   7.234  -3.203  -4.884
  238    HD3  PRO  39           HD3      PRO  39   5.851  -3.401  -3.051
  239    H    THR  40           H        THR  40   8.500  -7.698  -4.938
  240    HA   THR  40           HA       THR  40  10.422  -8.390  -2.828
  241    HB   THR  40           HB       THR  40  11.105 -10.072  -4.801
  242    HG1  THR  40           HG1      THR  40   9.448  -9.244  -6.198
  243   HG21  THR  40          HG21      THR  40  10.444 -11.556  -3.274
  244   HG22  THR  40          HG22      THR  40   8.749 -11.151  -3.541
  245   HG23  THR  40          HG23      THR  40   9.704 -10.228  -2.381
  246    H    VAL  41           H        VAL  41  11.398  -6.223  -3.152
  247    HA   VAL  41           HA       VAL  41  13.435  -6.360  -5.263
  248    HB   VAL  41           HB       VAL  41  13.248  -3.998  -5.739
  249   HG11  VAL  41          HG11      VAL  41  11.467  -4.151  -7.152
  250   HG12  VAL  41          HG12      VAL  41  11.606  -5.849  -6.697
  251   HG13  VAL  41          HG13      VAL  41  10.401  -4.820  -5.918
  252   HG21  VAL  41          HG21      VAL  41  12.442  -2.640  -4.171
  253   HG22  VAL  41          HG22      VAL  41  10.827  -3.201  -4.604
  254   HG23  VAL  41          HG23      VAL  41  11.713  -3.989  -3.298
  255    H    ALA  42           H        ALA  42  14.927  -4.214  -4.762
  256    HA   ALA  42           HA       ALA  42  15.660  -4.457  -1.915
  257    HB1  ALA  42           HB1      ALA  42  17.450  -5.499  -2.862
  258    HB2  ALA  42           HB2      ALA  42  17.319  -4.597  -4.372
  259    HB3  ALA  42           HB3      ALA  42  18.017  -3.832  -2.944
  260    H    ALA  43           H        ALA  43  15.544  -2.355  -4.746
  261    HA   ALA  43           HA       ALA  43  15.052  -0.056  -3.106
  262    HB1  ALA  43           HB1      ALA  43  17.365   0.082  -2.792
  263    HB2  ALA  43           HB2      ALA  43  17.711  -0.376  -4.459
  264    HB3  ALA  43           HB3      ALA  43  17.034   1.213  -4.104
  265    H    HIS  44           H        HIS  44  13.467   0.894  -4.191
  266    HA   HIS  44           HA       HIS  44  13.761   1.247  -7.095
  267    HB3  HIS  44           HB3      HIS  44  11.011   0.892  -6.031
  268    HD1  HIS  44           HD1      HIS  44  10.104   1.833  -8.208
  269    HD2  HIS  44           HD2      HIS  44  12.770  -1.304  -8.765
  270    HE1  HIS  44           HE1      HIS  44   9.925   1.224 -10.640
  Start of MODEL   12
    1    H1   ARG   1           H1       ARG   1  -7.155  11.508  -1.347
    2    HA   ARG   1           HA       ARG   1  -6.049   9.084  -0.672
    3    HB3  ARG   1           HB3      ARG   1  -8.246   8.099  -0.614
    4    HG3  ARG   1           HG3      ARG   1  -9.274   7.968  -3.115
    5    HD3  ARG   1           HD3      ARG   1 -10.609  10.122  -2.086
    6    HE   ARG   1           HE       ARG   1 -11.384   7.705  -0.803
    7   HH11  ARG   1          HH11      ARG   1 -11.130   9.250  -3.914
    8   HH12  ARG   1          HH12      ARG   1 -12.394   8.308  -4.631
    9   HH21  ARG   1          HH22      ARG   1 -13.051   6.457  -1.738
   10   HH22  ARG   1          HH21      ARG   1 -13.486   6.722  -3.392
   11    H    ARG   2           H        ARG   2  -5.261  11.370  -2.019
   12    HA   ARG   2           HA       ARG   2  -4.446  10.221  -4.588
   13    HB3  ARG   2           HB3      ARG   2  -4.794  13.058  -4.887
   14    HG3  ARG   2           HG3      ARG   2  -6.478  10.978  -6.227
   15    HD3  ARG   2           HD3      ARG   2  -6.344  13.672  -6.536
   16    HE   ARG   2           HE       ARG   2  -4.490  14.145  -7.770
   17   HH11  ARG   2          HH11      ARG   2  -5.704  11.034  -8.753
   18   HH12  ARG   2          HH12      ARG   2  -4.557  10.846 -10.037
   19   HH21  ARG   2          HH22      ARG   2  -2.973  13.909  -9.457
   20   HH22  ARG   2          HH21      ARG   2  -3.003  12.481 -10.435
   21    H    ARG   3           H        ARG   3  -2.767  11.901  -5.602
   22    HA   ARG   3           HA       ARG   3  -0.490  11.817  -4.013
   23    HB3  ARG   3           HB3      ARG   3  -1.116  13.603  -6.369
   24    HG3  ARG   3           HG3      ARG   3   1.475  13.068  -4.963
   25    HD3  ARG   3           HD3      ARG   3   1.087  12.952  -7.753
   26    HE   ARG   3           HE       ARG   3   1.484  15.604  -7.162
   27   HH11  ARG   3          HH11      ARG   3   3.225  13.125  -8.876
   28   HH12  ARG   3          HH12      ARG   3   3.974  14.231  -9.980
   29   HH21  ARG   3          HH22      ARG   3   2.465  17.071  -8.608
   30   HH22  ARG   3          HH21      ARG   3   3.541  16.475  -9.825
   31    H    ARG   4           H        ARG   4  -3.025  14.170  -4.146
   32    HA   ARG   4           HA       ARG   4  -1.735  16.421  -3.128
   33    HB3  ARG   4           HB3      ARG   4  -3.971  16.604  -3.978
   34    HG3  ARG   4           HG3      ARG   4  -4.954  14.985  -1.642
   35    HD3  ARG   4           HD3      ARG   4  -6.532  16.650  -2.453
   36    HE   ARG   4           HE       ARG   4  -5.630  15.964  -5.037
   37   HH11  ARG   4          HH11      ARG   4  -8.523  16.820  -3.301
   38   HH12  ARG   4          HH12      ARG   4  -9.303  17.512  -4.683
   39   HH21  ARG   4          HH22      ARG   4  -6.647  16.874  -6.865
   40   HH22  ARG   4          HH21      ARG   4  -8.236  17.542  -6.710
   41    H    ARG   5           H        ARG   5  -3.265  13.711  -1.428
   42    HA   ARG   5           HA       ARG   5  -2.612  14.777   1.167
   43    HB3  ARG   5           HB3      ARG   5  -3.692  12.091   0.307
   44    HG3  ARG   5           HG3      ARG   5  -3.102  13.177   3.022
   45    HD3  ARG   5           HD3      ARG   5  -5.637  12.207   2.278
   46    HE   ARG   5           HE       ARG   5  -5.428   9.967   2.662
   47   HH11  ARG   5          HH11      ARG   5  -3.444  11.683   4.951
   48   HH12  ARG   5          HH12      ARG   5  -3.018  10.261   5.845
   49   HH21  ARG   5          HH22      ARG   5  -4.876   8.089   3.832
   50   HH22  ARG   5          HH21      ARG   5  -3.833   8.218   5.207
   51    H    ARG   6           H        ARG   6  -1.091  12.760  -1.168
   52    HA   ARG   6           HA       ARG   6   0.940  11.736  -1.237
   53    HB3  ARG   6           HB3      ARG   6   1.694  12.985   1.380
   54    HG3  ARG   6           HG3      ARG   6   3.207  11.588  -0.301
   55    HD3  ARG   6           HD3      ARG   6   2.620  13.577  -1.982
   56    HE   ARG   6           HE       ARG   6   4.189  14.980  -0.235
   57   HH11  ARG   6          HH11      ARG   6   4.427  14.048  -3.582
   58   HH12  ARG   6          HH12      ARG   6   5.357  15.436  -4.039
   59   HH21  ARG   6          HH22      ARG   6   5.413  16.813  -0.824
   60   HH22  ARG   6          HH21      ARG   6   5.918  17.008  -2.469
   61    HA   PRO   7           HA       PRO   7  -0.651   8.674   1.902
   62    HB3  PRO   7           HB3      PRO   7  -2.320   7.943   0.503
   63    HG3  PRO   7           HG3      PRO   7  -2.175   8.246  -1.797
   64    HD3  PRO   7           HD3      PRO   7  -1.705  10.387  -1.085
   65    HA   PRO   8           HA       PRO   8   3.057   6.330   2.209
   66    HB3  PRO   8           HB3      PRO   8   2.154   5.278   4.042
   67    HG3  PRO   8           HG3      PRO   8  -0.092   4.680   4.094
   68    HD3  PRO   8           HD3      PRO   8  -0.284   6.879   3.436
   69    H    CYS   9           H        CYS   9   0.538   4.370   0.608
   70    HA   CYS   9           HA       CYS   9   2.213   2.634  -0.765
   71    HB3  CYS   9           HB3      CYS   9  -0.168   3.432  -2.281
   72    H    GLU  10           H        GLU  10   1.481   5.958  -1.378
   73    HA   GLU  10           HA       GLU  10   2.392   5.929  -4.113
   74    HB3  GLU  10           HB3      GLU  10   1.758   8.208  -2.233
   75    HG3  GLU  10           HG3      GLU  10   3.015   8.260  -4.822
   76    H    ASP  11           H        ASP  11   3.591   7.482  -1.131
   77    HA   ASP  11           HA       ASP  11   6.006   8.409  -2.082
   78    HB3  ASP  11           HB3      ASP  11   6.563   7.537   0.519
   79    H    VAL  12           H        VAL  12   5.594   5.362  -0.266
   80    HA   VAL  12           HA       VAL  12   8.178   4.398  -0.977
   81    HB   VAL  12           HB       VAL  12   7.549   2.331   0.093
   82   HG11  VAL  12          HG11      VAL  12   6.678   3.236   2.286
   83   HG12  VAL  12          HG12      VAL  12   8.120   4.026   1.643
   84   HG13  VAL  12          HG13      VAL  12   6.543   4.802   1.484
   85   HG21  VAL  12          HG21      VAL  12   5.485   1.547  -0.193
   86   HG22  VAL  12          HG22      VAL  12   4.936   2.722   1.002
   87   HG23  VAL  12          HG23      VAL  12   4.897   3.125  -0.713
   88    H    ASN  13           H        ASN  13   5.295   4.588  -2.688
   89    HA   ASN  13           HA       ASN  13   4.506   3.649  -4.609
   90    HB3  ASN  13           HB3      ASN  13   6.239   3.075  -6.298
   91   HD21  ASN  13          HD22      ASN  13   8.278   5.166  -4.581
   92   HD22  ASN  13          HD21      ASN  13   7.727   6.653  -5.266
   93    H    GLY  14           H        GLY  14   3.682   1.941  -3.044
   94    HA2  GLY  14           HA2      GLY  14   4.982  -0.661  -3.459
   95    HA3  GLY  14           HA3      GLY  14   3.775  -0.302  -2.234
   96    H    GLN  15           H        GLN  15   3.096  -2.468  -3.301
   97    HA   GLN  15           HA       GLN  15   1.320  -1.885  -5.576
   98    HB3  GLN  15           HB3      GLN  15   1.352  -4.375  -5.943
   99    HG3  GLN  15           HG3      GLN  15   4.156  -4.033  -6.201
  100   HE21  GLN  15          HE22      GLN  15   1.162  -3.073  -7.854
  101   HE22  GLN  15          HE21      GLN  15   1.437  -4.027  -9.269
  102    H    CYS  16           H        CYS  16  -0.616  -3.485  -5.602
  103    HA   CYS  16           HA       CYS  16  -1.792  -3.488  -2.899
  104    HB3  CYS  16           HB3      CYS  16  -4.001  -3.372  -4.107
  105    H    GLN  17           H        GLN  17  -1.283  -5.548  -2.260
  106    HA   GLN  17           HA       GLN  17  -2.455  -7.720  -3.870
  107    HB3  GLN  17           HB3      GLN  17  -0.603  -8.991  -3.659
  108    HG3  GLN  17           HG3      GLN  17   0.673  -6.410  -2.777
  109   HE21  GLN  17          HE22      GLN  17   1.198  -9.307  -4.767
  110   HE22  GLN  17          HE21      GLN  17   2.845  -9.536  -4.299
  111    HA   PRO  18           HA       PRO  18  -4.845  -8.977  -0.413
  112    HB3  PRO  18           HB3      PRO  18  -5.603 -10.734  -1.684
  113    HG3  PRO  18           HG3      PRO  18  -4.178 -11.875  -3.125
  114    HD3  PRO  18           HD3      PRO  18  -3.730  -9.705  -3.760
  115    H    ARG  19           H        ARG  19  -4.722 -10.910   1.389
  116    HA   ARG  19           HA       ARG  19  -2.346 -10.236   2.923
  117    HB3  ARG  19           HB3      ARG  19  -3.509 -11.297   4.799
  118    HG3  ARG  19           HG3      ARG  19  -4.360  -8.984   3.550
  119    HD3  ARG  19           HD3      ARG  19  -6.324 -10.108   2.662
  120    HE   ARG  19           HE       ARG  19  -6.415 -11.542   5.025
  121   HH11  ARG  19          HH11      ARG  19  -8.619  -9.696   3.060
  122   HH12  ARG  19          HH12      ARG  19 -10.008 -10.623   3.518
  123   HH21  ARG  19          HH22      ARG  19  -8.238 -12.769   5.635
  124   HH22  ARG  19          HH21      ARG  19  -9.791 -12.370   4.984
  125    H    GLY  20           H        GLY  20  -3.725 -12.940   1.222
  126    HA2  GLY  20           HA2      GLY  20  -2.008 -14.911   2.430
  127    HA3  GLY  20           HA3      GLY  20  -3.061 -15.151   1.044
  128    H    ASN  21           H        ASN  21  -0.049 -13.483   1.953
  129    HA   ASN  21           HA       ASN  21   1.405 -14.685  -0.177
  130    HB3  ASN  21           HB3      ASN  21   0.564 -13.209  -1.734
  131   HD21  ASN  21          HD22      ASN  21  -0.516 -11.347  -2.369
  132   HD22  ASN  21          HD21      ASN  21  -1.245 -10.274  -1.228
  133    HA   PRO  22           HA       PRO  22   4.757 -13.644   2.460
  134    HB3  PRO  22           HB3      PRO  22   6.037 -15.075   1.196
  135    HG3  PRO  22           HG3      PRO  22   5.744 -15.228  -1.105
  136    HD3  PRO  22           HD3      PRO  22   3.558 -15.455  -0.413
  137    H    CYS  23           H        CYS  23   3.621 -11.526   0.098
  138    HA   CYS  23           HA       CYS  23   5.435  -9.501  -0.138
  139    HB3  CYS  23           HB3      CYS  23   3.084  -9.631  -1.107
  140    H    LEU  24           H        LEU  24   5.610  -7.414   0.963
  141    HA   LEU  24           HA       LEU  24   5.560  -7.785   3.867
  142    HB3  LEU  24           HB3      LEU  24   6.942  -5.652   2.247
  143    HG   LEU  24           HG       LEU  24   6.867  -6.169   5.132
  144   HD11  LEU  24          HD11      LEU  24   9.143  -7.064   4.119
  145   HD12  LEU  24          HD12      LEU  24   9.088  -6.151   5.625
  146   HD13  LEU  24          HD13      LEU  24   9.533  -5.344   4.123
  147   HD21  LEU  24          HD21      LEU  24   7.795  -3.806   5.067
  148   HD22  LEU  24          HD22      LEU  24   6.190  -4.045   4.377
  149   HD23  LEU  24          HD23      LEU  24   7.589  -3.885   3.316
  150    H    ARG  25           H        ARG  25   3.390  -7.336   4.284
  151    HA   ARG  25           HA       ARG  25   1.707  -5.456   3.388
  152    HB3  ARG  25           HB3      ARG  25   1.330  -7.052   5.311
  153    HG3  ARG  25           HG3      ARG  25   1.512  -5.946   7.580
  154    HD3  ARG  25           HD3      ARG  25   4.298  -6.332   6.880
  155    HE   ARG  25           HE       ARG  25   2.868  -8.380   8.315
  156   HH11  ARG  25          HH11      ARG  25   4.397  -5.258   8.503
  157   HH12  ARG  25          HH12      ARG  25   4.676  -5.352  10.210
  158   HH21  ARG  25          HH22      ARG  25   3.230  -8.517  10.563
  159   HH22  ARG  25          HH21      ARG  25   4.013  -7.207  11.381
  160    H    LEU  26           H        LEU  26   1.293  -3.278   3.630
  161    HA   LEU  26           HA       LEU  26   3.400  -1.689   4.936
  162    HB3  LEU  26           HB3      LEU  26   2.258  -0.115   2.917
  163    HG   LEU  26           HG       LEU  26   4.928  -1.484   3.078
  164   HD11  LEU  26          HD11      LEU  26   3.877   0.289   0.881
  165   HD12  LEU  26          HD12      LEU  26   4.444  -1.374   0.734
  166   HD13  LEU  26          HD13      LEU  26   5.583  -0.087   1.131
  167   HD21  LEU  26          HD21      LEU  26   3.806   1.178   3.711
  168   HD22  LEU  26          HD22      LEU  26   5.422   1.141   3.005
  169   HD23  LEU  26          HD23      LEU  26   5.094   0.269   4.502
  170    H    ARG  27           H        ARG  27   0.231  -1.062   3.425
  171    HA   ARG  27           HA       ARG  27  -0.941  -0.299   5.938
  172    HB3  ARG  27           HB3      ARG  27  -1.530   2.026   4.843
  173    HG3  ARG  27           HG3      ARG  27   0.212   1.293   6.824
  174    HD3  ARG  27           HD3      ARG  27   1.708   3.303   5.195
  175    HE   ARG  27           HE       ARG  27   2.234   1.861   7.618
  176   HH11  ARG  27          HH11      ARG  27   3.680   3.459   4.885
  177   HH12  ARG  27          HH12      ARG  27   5.167   3.799   5.705
  178   HH21  ARG  27          HH22      ARG  27   4.187   2.302   8.709
  179   HH22  ARG  27          HH21      ARG  27   5.456   3.138   7.881
  180    H    GLY  28           H        GLY  28  -3.151   0.972   5.289
  181    HA2  GLY  28           HA2      GLY  28  -4.522  -0.937   3.561
  182    HA3  GLY  28           HA3      GLY  28  -5.281   0.217   4.647
  183    H    ALA  29           H        ALA  29  -2.787   1.384   2.578
  184    HA   ALA  29           HA       ALA  29  -4.626   3.154   1.262
  185    HB1  ALA  29           HB1      ALA  29  -2.394   3.680  -0.041
  186    HB2  ALA  29           HB2      ALA  29  -2.643   4.235   1.614
  187    HB3  ALA  29           HB3      ALA  29  -1.674   2.795   1.302
  188    H    CYS  30           H        CYS  30  -5.701   0.956   0.500
  189    HA   CYS  30           HA       CYS  30  -5.137   0.790  -2.331
  190    HB3  CYS  30           HB3      CYS  30  -5.268  -1.853  -1.982
  191    HA   PRO  31           HA       PRO  31  -9.460   0.130  -2.657
  192    HB3  PRO  31           HB3      PRO  31  -9.199   0.113  -4.940
  193    HG3  PRO  31           HG3      PRO  31  -7.360  -0.909  -5.930
  194    HD3  PRO  31           HD3      PRO  31  -6.291   0.386  -4.350
  195    H    ARG  32           H        ARG  32 -11.192  -1.365  -2.350
  196    HA   ARG  32           HA       ARG  32 -10.815  -3.283  -0.405
  197    HB3  ARG  32           HB3      ARG  32 -13.072  -3.970  -0.788
  198    HG3  ARG  32           HG3      ARG  32 -12.472  -1.332  -0.444
  199    HD3  ARG  32           HD3      ARG  32 -13.987  -1.673  -2.969
  200    HE   ARG  32           HE       ARG  32 -15.094  -0.121  -0.879
  201   HH11  ARG  32          HH11      ARG  32 -14.363  -0.011  -4.281
  202   HH12  ARG  32          HH12      ARG  32 -15.626   1.117  -4.649
  203   HH21  ARG  32          HH22      ARG  32 -16.759   1.364  -1.351
  204   HH22  ARG  32          HH21      ARG  32 -16.987   1.900  -2.981
  205    H    GLY  33           H        GLY  33 -10.733  -5.544  -0.389
  206    HA2  GLY  33           HA2      GLY  33 -10.555  -7.685  -1.348
  207    HA3  GLY  33           HA3      GLY  33 -10.419  -6.939  -2.934
  208    H    SER  34           H        SER  34  -8.352  -5.069  -1.634
  209    HA   SER  34           HA       SER  34  -6.124  -6.923  -1.289
  210    HB3  SER  34           HB3      SER  34  -4.775  -5.525  -2.945
  211    HG   SER  34           HG       SER  34  -6.167  -6.567  -4.769
  212    H    ARG  35           H        ARG  35  -4.064  -5.664  -0.774
  213    HA   ARG  35           HA       ARG  35  -4.615  -3.126   0.576
  214    HB3  ARG  35           HB3      ARG  35  -4.790  -5.170   2.145
  215    HG3  ARG  35           HG3      ARG  35  -1.823  -4.929   2.329
  216    HD3  ARG  35           HD3      ARG  35  -2.170  -7.270   3.233
  217    HE   ARG  35           HE       ARG  35  -1.912  -5.738   4.977
  218   HH11  ARG  35          HH11      ARG  35  -5.204  -5.872   3.853
  219   HH12  ARG  35          HH12      ARG  35  -5.847  -5.052   5.236
  220   HH21  ARG  35          HH22      ARG  35  -2.746  -4.657   6.804
  221   HH22  ARG  35          HH21      ARG  35  -4.449  -4.360   6.914
  222    H    CYS  36           H        CYS  36  -2.644  -1.958   1.178
  223    HA   CYS  36           HA       CYS  36  -0.748  -1.978  -0.930
  224    HB3  CYS  36           HB3      CYS  36  -0.482  -0.576   1.733
  225    H    CYS  37           H        CYS  37   0.639  -3.619  -1.146
  226    HA   CYS  37           HA       CYS  37   2.105  -4.517   1.248
  227    HB3  CYS  37           HB3      CYS  37   2.441  -6.442  -0.768
  228    H    MET  38           H        MET  38   4.244  -4.245   1.278
  229    HA   MET  38           HA       MET  38   5.550  -2.824  -0.814
  230    HB3  MET  38           HB3      MET  38   7.366  -4.116   1.048
  231    HG3  MET  38           HG3      MET  38   7.106  -1.409   1.687
  232    HE1  MET  38           HE1      MET  38  10.614  -0.343   0.555
  233    HE2  MET  38           HE2      MET  38   9.342  -0.170  -0.654
  234    HE3  MET  38           HE3      MET  38   8.999   0.169   1.043
  235    HA   PRO  39           HA       PRO  39   6.901  -6.154  -3.359
  236    HB3  PRO  39           HB3      PRO  39   7.322  -4.560  -4.958
  237    HG3  PRO  39           HG3      PRO  39   8.084  -2.443  -4.369
  238    HD3  PRO  39           HD3      PRO  39   6.288  -2.631  -2.937
  239    H    THR  40           H        THR  40   9.126  -7.164  -4.031
  240    HA   THR  40           HA       THR  40  10.612  -7.635  -1.539
  241    HB   THR  40           HB       THR  40  10.611  -9.372  -4.011
  242    HG1  THR  40           HG1      THR  40   8.534  -9.432  -3.206
  243   HG21  THR  40          HG21      THR  40  12.403 -10.178  -2.883
  244   HG22  THR  40          HG22      THR  40  11.164 -10.999  -1.934
  245   HG23  THR  40          HG23      THR  40  11.875  -9.497  -1.345
  246    H    VAL  41           H        VAL  41  11.727  -5.543  -2.084
  247    HA   VAL  41           HA       VAL  41  13.944  -6.024  -3.969
  248    HB   VAL  41           HB       VAL  41  14.155  -3.546  -4.123
  249   HG11  VAL  41          HG11      VAL  41  12.334  -5.250  -5.387
  250   HG12  VAL  41          HG12      VAL  41  11.443  -3.765  -5.057
  251   HG13  VAL  41          HG13      VAL  41  12.944  -3.706  -5.980
  252   HG21  VAL  41          HG21      VAL  41  11.403  -3.285  -3.001
  253   HG22  VAL  41          HG22      VAL  41  12.785  -3.316  -1.905
  254   HG23  VAL  41          HG23      VAL  41  12.677  -2.074  -3.154
  255    H    ALA  42           H        ALA  42  15.837  -4.407  -3.352
  256    HA   ALA  42           HA       ALA  42  16.698  -5.229  -0.725
  257    HB1  ALA  42           HB1      ALA  42  18.794  -4.855  -1.458
  258    HB2  ALA  42           HB2      ALA  42  18.024  -4.846  -3.045
  259    HB3  ALA  42           HB3      ALA  42  18.368  -3.324  -2.224
  260    H    ALA  43           H        ALA  43  18.202  -3.261   0.271
  261    HA   ALA  43           HA       ALA  43  16.529  -0.868   0.491
  262    HB1  ALA  43           HB1      ALA  43  17.591  -2.085   3.004
  263    HB2  ALA  43           HB2      ALA  43  16.241  -0.972   2.777
  264    HB3  ALA  43           HB3      ALA  43  16.074  -2.665   2.318
  265    H    HIS  44           H        HIS  44  17.677   0.842   1.840
  266    HA   HIS  44           HA       HIS  44  20.475   0.917   0.992
  267    HB3  HIS  44           HB3      HIS  44  19.238   3.309   2.226
  268    HD1  HIS  44           HD1      HIS  44  21.798   3.986   2.175
  269    HD2  HIS  44           HD2      HIS  44  20.042   3.362  -1.538
  270    HE1  HIS  44           HE1      HIS  44  23.372   5.016   0.508
  Start of MODEL   13
    1    H1   ARG   1           H1       ARG   1  -8.354   7.274  -5.967
    2    HA   ARG   1           HA       ARG   1  -7.650   9.297  -7.888
    3    HB3  ARG   1           HB3      ARG   1  -8.108  10.952  -5.743
    4    HG3  ARG   1           HG3      ARG   1  -8.762  11.067  -8.306
    5    HD3  ARG   1           HD3      ARG   1 -11.498  11.300  -7.644
    6    HE   ARG   1           HE       ARG   1 -10.874   9.091  -9.315
    7   HH11  ARG   1          HH11      ARG   1 -10.671  12.562  -9.122
    8   HH12  ARG   1          HH12      ARG   1 -10.697  12.790 -10.839
    9   HH21  ARG   1          HH22      ARG   1 -10.909   9.379 -11.577
   10   HH22  ARG   1          HH21      ARG   1 -10.833  10.977 -12.235
   11    H    ARG   2           H        ARG   2  -5.514   9.388  -7.772
   12    HA   ARG   2           HA       ARG   2  -4.224   8.946  -5.163
   13    HB3  ARG   2           HB3      ARG   2  -3.690   7.256  -6.875
   14    HG3  ARG   2           HG3      ARG   2  -2.543   9.575  -8.410
   15    HD3  ARG   2           HD3      ARG   2  -1.677   6.854  -8.247
   16    HE   ARG   2           HE       ARG   2  -3.205   7.390 -10.625
   17   HH11  ARG   2          HH11      ARG   2  -0.505   5.653  -9.277
   18   HH12  ARG   2          HH12      ARG   2  -0.526   4.418 -10.491
   19   HH21  ARG   2          HH22      ARG   2  -3.243   5.770 -12.229
   20   HH22  ARG   2          HH21      ARG   2  -2.083   4.485 -12.171
   21    H    ARG   3           H        ARG   3  -1.930   9.985  -5.142
   22    HA   ARG   3           HA       ARG   3  -0.756  11.922  -4.913
   23    HB3  ARG   3           HB3      ARG   3  -1.921  12.733  -7.572
   24    HG3  ARG   3           HG3      ARG   3   0.636  13.305  -6.133
   25    HD3  ARG   3           HD3      ARG   3   0.311  12.784  -8.969
   26    HE   ARG   3           HE       ARG   3   0.490  15.495  -8.421
   27   HH11  ARG   3          HH11      ARG   3   2.319  13.080 -10.138
   28   HH12  ARG   3          HH12      ARG   3   2.961  14.201 -11.292
   29   HH21  ARG   3          HH22      ARG   3   1.329  16.980  -9.936
   30   HH22  ARG   3          HH21      ARG   3   2.399  16.419 -11.176
   31    H    ARG   4           H        ARG   4  -3.410  11.871  -3.812
   32    HA   ARG   4           HA       ARG   4  -4.526  14.506  -4.295
   33    HB3  ARG   4           HB3      ARG   4  -5.354  12.365  -2.327
   34    HG3  ARG   4           HG3      ARG   4  -7.566  13.876  -3.065
   35    HD3  ARG   4           HD3      ARG   4  -5.964  13.381  -0.641
   36    HE   ARG   4           HE       ARG   4  -6.360  15.482   0.168
   37   HH11  ARG   4          HH11      ARG   4  -9.145  14.419  -1.632
   38   HH12  ARG   4          HH12      ARG   4 -10.119  15.777  -1.176
   39   HH21  ARG   4          HH22      ARG   4  -7.634  17.274   0.773
   40   HH22  ARG   4          HH21      ARG   4  -9.259  17.401   0.192
   41    H    ARG   5           H        ARG   5  -2.839  12.766  -1.724
   42    HA   ARG   5           HA       ARG   5  -2.010  15.306  -0.577
   43    HB3  ARG   5           HB3      ARG   5  -3.239  13.237   1.233
   44    HG3  ARG   5           HG3      ARG   5  -1.874  15.683   1.687
   45    HD3  ARG   5           HD3      ARG   5  -4.820  15.725   2.228
   46    HE   ARG   5           HE       ARG   5  -2.860  16.589   4.093
   47   HH11  ARG   5          HH11      ARG   5  -5.898  17.481   2.647
   48   HH12  ARG   5          HH12      ARG   5  -6.409  18.439   3.998
   49   HH21  ARG   5          HH22      ARG   5  -3.520  17.848   5.878
   50   HH22  ARG   5          HH21      ARG   5  -5.054  18.646   5.835
   51    H    ARG   6           H        ARG   6  -0.689  13.146  -1.987
   52    HA   ARG   6           HA       ARG   6   1.161  11.820  -1.875
   53    HB3  ARG   6           HB3      ARG   6   2.904  12.573  -0.237
   54    HG3  ARG   6           HG3      ARG   6   1.969  15.151  -1.256
   55    HD3  ARG   6           HD3      ARG   6   4.350  14.190  -0.584
   56    HE   ARG   6           HE       ARG   6   5.116  12.768  -2.189
   57   HH11  ARG   6          HH11      ARG   6   3.235  15.261  -3.728
   58   HH12  ARG   6          HH12      ARG   6   3.586  14.715  -5.335
   59   HH21  ARG   6          HH22      ARG   6   5.586  12.040  -4.299
   60   HH22  ARG   6          HH21      ARG   6   4.923  12.883  -5.659
   61    HA   PRO   7           HA       PRO   7  -0.720   9.264   1.545
   62    HB3  PRO   7           HB3      PRO   7  -2.436   8.531   0.204
   63    HG3  PRO   7           HG3      PRO   7  -2.248   8.570  -2.114
   64    HD3  PRO   7           HD3      PRO   7  -1.599  10.728  -1.626
   65    HA   PRO   8           HA       PRO   8   2.764   6.656   2.164
   66    HB3  PRO   8           HB3      PRO   8   1.758   5.888   4.081
   67    HG3  PRO   8           HG3      PRO   8  -0.533   5.494   4.159
   68    HD3  PRO   8           HD3      PRO   8  -0.526   7.619   3.267
   69    H    CYS   9           H        CYS   9   0.097   4.761   0.734
   70    HA   CYS   9           HA       CYS   9   1.621   2.747  -0.414
   71    HB3  CYS   9           HB3      CYS   9  -0.772   3.775  -1.880
   72    H    GLU  10           H        GLU  10   1.193   6.037  -1.395
   73    HA   GLU  10           HA       GLU  10   2.302   5.553  -4.045
   74    HB3  GLU  10           HB3      GLU  10   1.583   8.207  -2.800
   75    HG3  GLU  10           HG3      GLU  10   0.955   8.383  -5.424
   76    H    ASP  11           H        ASP  11   3.107   7.416  -1.126
   77    HA   ASP  11           HA       ASP  11   5.503   8.521  -1.893
   78    HB3  ASP  11           HB3      ASP  11   5.854   7.631   0.779
   79    H    VAL  12           H        VAL  12   4.822   5.211  -0.988
   80    HA   VAL  12           HA       VAL  12   7.666   4.537  -1.353
   81    HB   VAL  12           HB       VAL  12   7.301   2.534  -0.093
   82   HG11  VAL  12          HG11      VAL  12   6.038   4.943   1.201
   83   HG12  VAL  12          HG12      VAL  12   6.475   3.475   2.078
   84   HG13  VAL  12          HG13      VAL  12   7.725   4.436   1.284
   85   HG21  VAL  12          HG21      VAL  12   4.534   3.001  -0.800
   86   HG22  VAL  12          HG22      VAL  12   5.327   1.517  -0.271
   87   HG23  VAL  12          HG23      VAL  12   4.716   2.665   0.921
   88    H    ASN  13           H        ASN  13   4.603   4.327  -2.782
   89    HA   ASN  13           HA       ASN  13   3.743   3.174  -4.552
   90    HB3  ASN  13           HB3      ASN  13   5.086   3.159  -6.457
   91   HD21  ASN  13          HD22      ASN  13   7.616   4.388  -4.404
   92   HD22  ASN  13          HD21      ASN  13   7.375   6.060  -4.773
   93    H    GLY  14           H        GLY  14   3.044   1.364  -3.335
   94    HA2  GLY  14           HA2      GLY  14   4.798  -1.004  -3.539
   95    HA3  GLY  14           HA3      GLY  14   3.551  -0.791  -2.318
   96    H    GLN  15           H        GLN  15   3.244  -3.078  -3.350
   97    HA   GLN  15           HA       GLN  15   1.470  -2.875  -5.681
   98    HB3  GLN  15           HB3      GLN  15   1.879  -5.172  -6.103
   99    HG3  GLN  15           HG3      GLN  15   4.509  -4.149  -5.061
  100   HE21  GLN  15          HE22      GLN  15   4.709  -6.540  -4.693
  101   HE22  GLN  15          HE21      GLN  15   5.249  -7.495  -6.028
  102    H    CYS  16           H        CYS  16  -0.654  -3.137  -5.460
  103    HA   CYS  16           HA       CYS  16  -1.774  -3.602  -2.855
  104    HB3  CYS  16           HB3      CYS  16  -3.953  -3.301  -4.023
  105    H    GLN  17           H        GLN  17  -1.238  -5.722  -2.316
  106    HA   GLN  17           HA       GLN  17  -2.527  -7.809  -3.947
  107    HB3  GLN  17           HB3      GLN  17  -0.795  -9.237  -3.551
  108    HG3  GLN  17           HG3      GLN  17   0.895  -6.923  -2.758
  109   HE21  GLN  17          HE22      GLN  17   1.532  -9.525  -2.388
  110   HE22  GLN  17          HE21      GLN  17   2.686 -10.035  -3.568
  111    HA   PRO  18           HA       PRO  18  -5.165  -8.925  -0.626
  112    HB3  PRO  18           HB3      PRO  18  -6.004 -10.583  -1.975
  113    HG3  PRO  18           HG3      PRO  18  -4.615 -11.797  -3.391
  114    HD3  PRO  18           HD3      PRO  18  -3.972  -9.654  -3.945
  115    H    ARG  19           H        ARG  19  -5.301 -10.765   1.192
  116    HA   ARG  19           HA       ARG  19  -2.856 -10.443   2.745
  117    HB3  ARG  19           HB3      ARG  19  -5.012  -9.877   3.783
  118    HG3  ARG  19           HG3      ARG  19  -5.789 -12.683   4.175
  119    HD3  ARG  19           HD3      ARG  19  -8.048 -11.629   3.842
  120    HE   ARG  19           HE       ARG  19  -6.362 -11.252   6.059
  121   HH11  ARG  19          HH11      ARG  19  -9.305 -10.010   4.674
  122   HH12  ARG  19          HH12      ARG  19  -9.979  -9.542   6.201
  123   HH21  ARG  19          HH22      ARG  19  -7.239 -10.639   8.074
  124   HH22  ARG  19          HH21      ARG  19  -8.802  -9.899   8.133
  125    H    GLY  20           H        GLY  20  -2.451 -12.174   0.669
  126    HA2  GLY  20           HA2      GLY  20  -1.975 -14.670   2.123
  127    HA3  GLY  20           HA3      GLY  20  -2.883 -14.769   0.622
  128    H    ASN  21           H        ASN  21  -0.182 -12.600   1.281
  129    HA   ASN  21           HA       ASN  21   1.435 -14.128  -0.649
  130    HB3  ASN  21           HB3      ASN  21   1.195 -12.366  -2.031
  131   HD21  ASN  21          HD22      ASN  21  -0.863 -11.679  -2.160
  132   HD22  ASN  21          HD21      ASN  21  -1.511 -10.361  -1.249
  133    HA   PRO  22           HA       PRO  22   4.578 -14.095   2.431
  134    HB3  PRO  22           HB3      PRO  22   5.603 -15.735   1.190
  135    HG3  PRO  22           HG3      PRO  22   5.508 -15.718  -1.133
  136    HD3  PRO  22           HD3      PRO  22   3.274 -15.445  -0.643
  137    H    CYS  23           H        CYS  23   4.405 -11.757  -0.078
  138    HA   CYS  23           HA       CYS  23   6.701 -10.236   0.383
  139    HB3  CYS  23           HB3      CYS  23   5.051  -9.967  -1.511
  140    H    LEU  24           H        LEU  24   6.139  -7.730   1.091
  141    HA   LEU  24           HA       LEU  24   5.494  -7.994   3.934
  142    HB3  LEU  24           HB3      LEU  24   6.574  -5.490   2.733
  143    HG   LEU  24           HG       LEU  24   6.307  -6.391   5.377
  144   HD11  LEU  24          HD11      LEU  24   9.222  -6.018   4.830
  145   HD12  LEU  24          HD12      LEU  24   8.496  -7.621   4.739
  146   HD13  LEU  24          HD13      LEU  24   8.426  -6.708   6.246
  147   HD21  LEU  24          HD21      LEU  24   7.974  -4.226   5.500
  148   HD22  LEU  24          HD22      LEU  24   6.218  -4.157   5.338
  149   HD23  LEU  24          HD23      LEU  24   7.239  -4.045   3.905
  150    H    ARG  25           H        ARG  25   4.500  -5.905   4.895
  151    HA   ARG  25           HA       ARG  25   2.240  -5.095   3.185
  152    HB3  ARG  25           HB3      ARG  25   1.606  -6.578   5.075
  153    HG3  ARG  25           HG3      ARG  25   1.487  -5.301   7.330
  154    HD3  ARG  25           HD3      ARG  25   4.194  -6.051   7.350
  155    HE   ARG  25           HE       ARG  25   1.738  -7.200   8.310
  156   HH11  ARG  25          HH11      ARG  25   5.175  -7.643   7.968
  157   HH12  ARG  25          HH12      ARG  25   5.294  -8.761   9.287
  158   HH21  ARG  25          HH22      ARG  25   1.883  -8.670  10.048
  159   HH22  ARG  25          HH21      ARG  25   3.420  -9.345  10.468
  160    H    LEU  26           H        LEU  26   1.330  -2.969   3.640
  161    HA   LEU  26           HA       LEU  26   3.274  -1.105   4.828
  162    HB3  LEU  26           HB3      LEU  26   2.238   0.481   2.980
  163    HG   LEU  26           HG       LEU  26   4.577  -1.314   2.798
  164   HD11  LEU  26          HD11      LEU  26   4.957  -0.310   0.443
  165   HD12  LEU  26          HD12      LEU  26   3.201  -0.162   0.405
  166   HD13  LEU  26          HD13      LEU  26   3.947  -1.746   0.614
  167   HD21  LEU  26          HD21      LEU  26   4.999   0.763   3.769
  168   HD22  LEU  26          HD22      LEU  26   3.999   1.621   2.597
  169   HD23  LEU  26          HD23      LEU  26   5.558   0.958   2.107
  170    H    ARG  27           H        ARG  27   0.075  -0.708   3.326
  171    HA   ARG  27           HA       ARG  27  -1.203  -0.220   5.857
  172    HB3  ARG  27           HB3      ARG  27  -1.957   2.122   4.899
  173    HG3  ARG  27           HG3      ARG  27  -0.219   1.397   6.884
  174    HD3  ARG  27           HD3      ARG  27   1.171   3.605   5.423
  175    HE   ARG  27           HE       ARG  27   1.641   2.295   7.852
  176   HH11  ARG  27          HH11      ARG  27   3.365   3.327   5.009
  177   HH12  ARG  27          HH12      ARG  27   4.872   3.538   5.840
  178   HH21  ARG  27          HH22      ARG  27   3.618   2.568   8.956
  179   HH22  ARG  27          HH21      ARG  27   5.014   3.105   8.085
  180    H    GLY  28           H        GLY  28  -3.505   0.856   5.284
  181    HA2  GLY  28           HA2      GLY  28  -4.652  -0.979   3.320
  182    HA3  GLY  28           HA3      GLY  28  -5.538  -0.077   4.540
  183    H    ALA  29           H        ALA  29  -3.240   1.746   2.800
  184    HA   ALA  29           HA       ALA  29  -5.102   3.569   1.802
  185    HB1  ALA  29           HB1      ALA  29  -2.255   3.210   1.712
  186    HB2  ALA  29           HB2      ALA  29  -2.855   3.742   0.139
  187    HB3  ALA  29           HB3      ALA  29  -3.202   4.694   1.583
  188    H    CYS  30           H        CYS  30  -4.109   0.517   0.579
  189    HA   CYS  30           HA       CYS  30  -4.691   0.948  -2.170
  190    HB3  CYS  30           HB3      CYS  30  -5.005  -1.704  -1.947
  191    HA   PRO  31           HA       PRO  31  -9.054   0.579  -2.414
  192    HB3  PRO  31           HB3      PRO  31  -8.851   0.640  -4.701
  193    HG3  PRO  31           HG3      PRO  31  -7.111  -0.463  -5.780
  194    HD3  PRO  31           HD3      PRO  31  -5.919   0.691  -4.179
  195    H    ARG  32           H        ARG  32 -10.861  -0.770  -2.035
  196    HA   ARG  32           HA       ARG  32 -10.566  -2.801  -0.208
  197    HB3  ARG  32           HB3      ARG  32 -12.697  -1.749  -0.489
  198    HG3  ARG  32           HG3      ARG  32 -13.980  -2.786  -2.648
  199    HD3  ARG  32           HD3      ARG  32 -12.563  -0.230  -3.102
  200    HE   ARG  32           HE       ARG  32 -15.125  -1.278  -3.707
  201   HH11  ARG  32          HH11      ARG  32 -13.479   1.686  -2.922
  202   HH12  ARG  32          HH12      ARG  32 -14.618   2.692  -3.755
  203   HH21  ARG  32          HH22      ARG  32 -16.632   0.034  -4.808
  204   HH22  ARG  32          HH21      ARG  32 -16.411   1.750  -4.827
  205    H    GLY  33           H        GLY  33 -10.748  -5.078  -0.297
  206    HA2  GLY  33           HA2      GLY  33 -10.774  -7.172  -1.378
  207    HA3  GLY  33           HA3      GLY  33 -10.519  -6.356  -2.914
  208    H    SER  34           H        SER  34  -8.300  -4.765  -1.594
  209    HA   SER  34           HA       SER  34  -6.282  -6.837  -1.201
  210    HB3  SER  34           HB3      SER  34  -5.889  -6.645  -3.471
  211    HG   SER  34           HG       SER  34  -6.922  -4.069  -3.150
  212    H    ARG  35           H        ARG  35  -4.089  -5.748  -0.737
  213    HA   ARG  35           HA       ARG  35  -4.435  -3.191   0.653
  214    HB3  ARG  35           HB3      ARG  35  -4.737  -4.851   2.380
  215    HG3  ARG  35           HG3      ARG  35  -2.474  -6.192   2.857
  216    HD3  ARG  35           HD3      ARG  35  -3.560  -8.165   1.959
  217    HE   ARG  35           HE       ARG  35  -4.754  -6.661   3.827
  218   HH11  ARG  35          HH11      ARG  35  -6.028  -8.480   1.146
  219   HH12  ARG  35          HH12      ARG  35  -7.536  -8.825   1.927
  220   HH21  ARG  35          HH22      ARG  35  -6.734  -7.109   4.867
  221   HH22  ARG  35          HH21      ARG  35  -7.937  -8.043   4.044
  222    H    CYS  36           H        CYS  36  -2.436  -2.078   1.099
  223    HA   CYS  36           HA       CYS  36  -0.586  -2.266  -1.047
  224    HB3  CYS  36           HB3      CYS  36   0.144  -0.752   1.409
  225    H    CYS  37           H        CYS  37   1.007  -3.680  -1.241
  226    HA   CYS  37           HA       CYS  37   2.330  -4.657   1.207
  227    HB3  CYS  37           HB3      CYS  37   1.087  -6.112  -0.952
  228    H    MET  38           H        MET  38   4.508  -4.558   1.302
  229    HA   MET  38           HA       MET  38   5.873  -3.019  -0.712
  230    HB3  MET  38           HB3      MET  38   7.728  -4.070   1.155
  231    HG3  MET  38           HG3      MET  38   7.121  -1.610   2.143
  232    HE1  MET  38           HE1      MET  38   9.171  -2.816   2.737
  233    HE2  MET  38           HE2      MET  38  10.139  -3.618   1.499
  234    HE3  MET  38           HE3      MET  38  10.689  -2.095   2.199
  235    HA   PRO  39           HA       PRO  39   7.350  -6.452  -3.069
  236    HB3  PRO  39           HB3      PRO  39   7.571  -4.960  -4.802
  237    HG3  PRO  39           HG3      PRO  39   8.142  -2.740  -4.408
  238    HD3  PRO  39           HD3      PRO  39   6.414  -2.978  -2.901
  239    H    THR  40           H        THR  40   9.612  -7.340  -3.714
  240    HA   THR  40           HA       THR  40  11.151  -7.572  -1.239
  241    HB   THR  40           HB       THR  40  11.491  -9.218  -3.747
  242    HG1  THR  40           HG1      THR  40  10.053 -10.679  -2.814
  243   HG21  THR  40          HG21      THR  40  12.819 -10.617  -2.510
  244   HG22  THR  40          HG22      THR  40  12.029 -10.203  -0.990
  245   HG23  THR  40          HG23      THR  40  13.184  -9.086  -1.715
  246    H    VAL  41           H        VAL  41  11.940  -5.303  -1.753
  247    HA   VAL  41           HA       VAL  41  14.379  -5.499  -3.395
  248    HB   VAL  41           HB       VAL  41  14.145  -3.137  -3.996
  249   HG11  VAL  41          HG11      VAL  41  12.961  -3.666  -5.817
  250   HG12  VAL  41          HG12      VAL  41  12.788  -5.258  -5.078
  251   HG13  VAL  41          HG13      VAL  41  11.520  -4.049  -4.878
  252   HG21  VAL  41          HG21      VAL  41  11.554  -3.337  -2.475
  253   HG22  VAL  41          HG22      VAL  41  12.914  -2.262  -2.152
  254   HG23  VAL  41          HG23      VAL  41  11.929  -2.030  -3.596
  255    H    ALA  42           H        ALA  42  15.778  -3.395  -2.825
  256    HA   ALA  42           HA       ALA  42  15.706  -2.741  -0.004
  257    HB1  ALA  42           HB1      ALA  42  18.063  -3.504   0.347
  258    HB2  ALA  42           HB2      ALA  42  16.889  -4.805   0.152
  259    HB3  ALA  42           HB3      ALA  42  17.949  -4.366  -1.188
  260    H    ALA  43           H        ALA  43  15.367  -0.657  -1.010
  261    HA   ALA  43           HA       ALA  43  17.862   0.528  -2.045
  262    HB1  ALA  43           HB1      ALA  43  16.134   0.487  -3.753
  263    HB2  ALA  43           HB2      ALA  43  15.021   1.328  -2.674
  264    HB3  ALA  43           HB3      ALA  43  16.471   2.146  -3.256
  265    H    HIS  44           H        HIS  44  18.787   1.905  -0.693
  266    HA   HIS  44           HA       HIS  44  19.124   3.320   1.062
  267    HB3  HIS  44           HB3      HIS  44  16.733   4.831   1.102
  268    HD1  HIS  44           HD1      HIS  44  17.701   7.028   1.637
  269    HD2  HIS  44           HD2      HIS  44  20.011   4.974  -1.138
  270    HE1  HIS  44           HE1      HIS  44  19.636   8.548   1.117
  Start of MODEL   14
    1    H1   ARG   1           H1       ARG   1  -2.986   6.338  -3.050
    2    HA   ARG   1           HA       ARG   1  -2.947   4.050  -4.858
    3    HB3  ARG   1           HB3      ARG   1  -5.321   5.552  -5.192
    4    HG3  ARG   1           HG3      ARG   1  -6.136   3.598  -3.562
    5    HD3  ARG   1           HD3      ARG   1  -5.913   2.102  -5.713
    6    HE   ARG   1           HE       ARG   1  -7.764   4.090  -5.034
    7   HH11  ARG   1          HH11      ARG   1  -6.666   2.312  -7.818
    8   HH12  ARG   1          HH12      ARG   1  -8.187   2.408  -8.642
    9   HH21  ARG   1          HH22      ARG   1  -9.772   4.223  -6.108
   10   HH22  ARG   1          HH21      ARG   1  -9.951   3.496  -7.669
   11    H    ARG   2           H        ARG   2  -3.914   7.473  -5.171
   12    HA   ARG   2           HA       ARG   2  -2.625   7.499  -7.817
   13    HB3  ARG   2           HB3      ARG   2  -4.985   9.236  -7.492
   14    HG3  ARG   2           HG3      ARG   2  -5.186   7.472  -9.699
   15    HD3  ARG   2           HD3      ARG   2  -5.941   9.857  -9.479
   16    HE   ARG   2           HE       ARG   2  -4.270  11.328  -8.986
   17   HH11  ARG   2          HH11      ARG   2  -3.111   9.086 -11.382
   18   HH12  ARG   2          HH12      ARG   2  -1.605   9.911 -11.616
   19   HH21  ARG   2          HH22      ARG   2  -2.292  12.424  -9.285
   20   HH22  ARG   2          HH21      ARG   2  -1.140  11.809 -10.421
   21    H    ARG   3           H        ARG   3  -4.153   9.695  -5.452
   22    HA   ARG   3           HA       ARG   3  -1.787  11.164  -4.973
   23    HB3  ARG   3           HB3      ARG   3  -3.801  12.665  -6.640
   24    HG3  ARG   3           HG3      ARG   3  -0.938  13.400  -6.505
   25    HD3  ARG   3           HD3      ARG   3  -2.424  15.646  -6.155
   26    HE   ARG   3           HE       ARG   3  -0.891  14.747  -8.181
   27   HH11  ARG   3          HH11      ARG   3  -4.025  16.256  -8.074
   28   HH12  ARG   3          HH12      ARG   3  -3.854  17.024  -9.619
   29   HH21  ARG   3          HH22      ARG   3  -0.653  15.750 -10.216
   30   HH22  ARG   3          HH21      ARG   3  -1.935  16.734 -10.837
   31    H    ARG   4           H        ARG   4  -3.494  10.069  -3.227
   32    HA   ARG   4           HA       ARG   4  -5.369  12.101  -2.309
   33    HB3  ARG   4           HB3      ARG   4  -4.738   9.434  -1.043
   34    HG3  ARG   4           HG3      ARG   4  -6.497  11.547  -0.298
   35    HD3  ARG   4           HD3      ARG   4  -7.882   8.939  -0.908
   36    HE   ARG   4           HE       ARG   4  -8.618  10.810   0.930
   37   HH11  ARG   4          HH11      ARG   4  -9.962   9.656  -2.066
   38   HH12  ARG   4          HH12      ARG   4 -11.604   9.957  -1.596
   39   HH21  ARG   4          HH22      ARG   4 -10.774  11.210   1.561
   40   HH22  ARG   4          HH21      ARG   4 -12.063  10.841   0.468
   41    H    ARG   5           H        ARG   5  -3.900  13.737  -1.698
   42    HA   ARG   5           HA       ARG   5  -2.542  14.894  -0.285
   43    HB3  ARG   5           HB3      ARG   5  -2.665  14.173   2.146
   44    HG3  ARG   5           HG3      ARG   5  -4.477  15.564   0.731
   45    HD3  ARG   5           HD3      ARG   5  -6.453  14.015   2.132
   46    HE   ARG   5           HE       ARG   5  -6.620  14.265  -0.733
   47   HH11  ARG   5          HH11      ARG   5  -7.033  15.868   2.329
   48   HH12  ARG   5          HH12      ARG   5  -8.151  17.040   1.712
   49   HH21  ARG   5          HH22      ARG   5  -8.089  15.803  -1.557
   50   HH22  ARG   5          HH21      ARG   5  -8.751  17.003  -0.499
   51    H    ARG   6           H        ARG   6  -1.375  12.720  -1.807
   52    HA   ARG   6           HA       ARG   6   0.595  11.604  -2.019
   53    HB3  ARG   6           HB3      ARG   6   2.509  12.431  -0.696
   54    HG3  ARG   6           HG3      ARG   6   0.677  14.373  -2.005
   55    HD3  ARG   6           HD3      ARG   6   2.585  16.049  -1.743
   56    HE   ARG   6           HE       ARG   6   0.494  15.537   0.137
   57   HH11  ARG   6          HH11      ARG   6   3.267  17.534  -0.525
   58   HH12  ARG   6          HH12      ARG   6   2.702  18.863   0.435
   59   HH21  ARG   6          HH22      ARG   6  -0.260  17.278   1.403
   60   HH22  ARG   6          HH21      ARG   6   0.697  18.715   1.532
   61    HA   PRO   7           HA       PRO   7  -0.632   8.763   1.451
   62    HB3  PRO   7           HB3      PRO   7  -2.377   7.893   0.233
   63    HG3  PRO   7           HG3      PRO   7  -2.401   8.025  -2.088
   64    HD3  PRO   7           HD3      PRO   7  -1.939  10.224  -1.571
   65    HA   PRO   8           HA       PRO   8   3.146   6.525   1.661
   66    HB3  PRO   8           HB3      PRO   8   2.402   5.595   3.625
   67    HG3  PRO   8           HG3      PRO   8   0.181   4.956   3.884
   68    HD3  PRO   8           HD3      PRO   8  -0.114   7.097   3.082
   69    H    CYS   9           H        CYS   9   0.574   4.396   0.395
   70    HA   CYS   9           HA       CYS   9   2.192   2.598  -0.965
   71    HB3  CYS   9           HB3      CYS   9  -0.293   3.206  -2.381
   72    H    GLU  10           H        GLU  10   1.333   5.850  -1.766
   73    HA   GLU  10           HA       GLU  10   2.050   5.635  -4.549
   74    HB3  GLU  10           HB3      GLU  10   1.505   8.039  -2.802
   75    HG3  GLU  10           HG3      GLU  10   0.986   8.608  -5.507
   76    H    ASP  11           H        ASP  11   3.417   7.446  -1.794
   77    HA   ASP  11           HA       ASP  11   5.742   8.325  -2.991
   78    HB3  ASP  11           HB3      ASP  11   6.495   7.704  -0.371
   79    H    VAL  12           H        VAL  12   5.519   5.448  -0.887
   80    HA   VAL  12           HA       VAL  12   8.068   4.463  -1.707
   81    HB   VAL  12           HB       VAL  12   7.576   2.505  -0.387
   82   HG11  VAL  12          HG11      VAL  12   6.863   3.627   1.771
   83   HG12  VAL  12          HG12      VAL  12   8.250   4.335   0.942
   84   HG13  VAL  12          HG13      VAL  12   6.664   5.101   0.824
   85   HG21  VAL  12          HG21      VAL  12   5.516   1.668  -0.376
   86   HG22  VAL  12          HG22      VAL  12   5.035   2.983   0.695
   87   HG23  VAL  12          HG23      VAL  12   4.858   3.160  -1.051
   88    H    ASN  13           H        ASN  13   5.079   4.468  -3.207
   89    HA   ASN  13           HA       ASN  13   4.185   3.380  -4.996
   90    HB3  ASN  13           HB3      ASN  13   5.814   2.484  -6.657
   91   HD21  ASN  13          HD22      ASN  13   7.968   4.708  -5.232
   92   HD22  ASN  13          HD21      ASN  13   7.478   6.105  -6.123
   93    H    GLY  14           H        GLY  14   3.724   1.963  -2.811
   94    HA2  GLY  14           HA2      GLY  14   4.764  -0.714  -2.939
   95    HA3  GLY  14           HA3      GLY  14   3.466  -0.147  -1.899
   96    H    GLN  15           H        GLN  15   3.304  -2.617  -3.068
   97    HA   GLN  15           HA       GLN  15   1.589  -2.338  -5.413
   98    HB3  GLN  15           HB3      GLN  15   1.617  -4.993  -4.957
   99    HG3  GLN  15           HG3      GLN  15   4.024  -3.667  -6.163
  100   HE21  GLN  15          HE22      GLN  15   1.603  -5.820  -7.500
  101   HE22  GLN  15          HE21      GLN  15   2.658  -7.166  -7.740
  102    H    CYS  16           H        CYS  16  -0.426  -3.684  -5.467
  103    HA   CYS  16           HA       CYS  16  -1.793  -3.567  -2.858
  104    HB3  CYS  16           HB3      CYS  16  -3.893  -3.261  -4.301
  105    H    GLN  17           H        GLN  17  -2.125  -5.547  -2.103
  106    HA   GLN  17           HA       GLN  17  -3.477  -7.512  -3.720
  107    HB3  GLN  17           HB3      GLN  17  -1.611  -8.558  -4.399
  108    HG3  GLN  17           HG3      GLN  17  -0.018  -7.254  -2.204
  109   HE21  GLN  17          HE22      GLN  17   1.004  -9.340  -1.949
  110   HE22  GLN  17          HE21      GLN  17   2.207  -9.841  -3.083
  111    HA   PRO  18           HA       PRO  18  -5.130  -8.818   0.125
  112    HB3  PRO  18           HB3      PRO  18  -6.373 -10.371  -1.027
  113    HG3  PRO  18           HG3      PRO  18  -5.471 -11.529  -2.830
  114    HD3  PRO  18           HD3      PRO  18  -4.918  -9.374  -3.427
  115    H    ARG  19           H        ARG  19  -4.840 -10.748   1.820
  116    HA   ARG  19           HA       ARG  19  -2.105 -10.518   2.736
  117    HB3  ARG  19           HB3      ARG  19  -4.026 -10.236   4.281
  118    HG3  ARG  19           HG3      ARG  19  -4.448 -13.080   4.699
  119    HD3  ARG  19           HD3      ARG  19  -6.431 -10.873   4.187
  120    HE   ARG  19           HE       ARG  19  -6.885 -13.517   4.759
  121   HH11  ARG  19          HH11      ARG  19  -7.570 -10.473   6.300
  122   HH12  ARG  19          HH12      ARG  19  -9.018 -11.037   7.067
  123   HH21  ARG  19          HH22      ARG  19  -8.787 -14.275   5.764
  124   HH22  ARG  19          HH21      ARG  19  -9.708 -13.200   6.763
  125    H    GLY  20           H        GLY  20  -3.479 -12.481   0.574
  126    HA2  GLY  20           HA2      GLY  20  -2.299 -14.981   1.527
  127    HA3  GLY  20           HA3      GLY  20  -3.314 -14.787   0.105
  128    H    ASN  21           H        ASN  21  -0.273 -13.263   1.174
  129    HA   ASN  21           HA       ASN  21   1.202 -14.499  -0.972
  130    HB3  ASN  21           HB3      ASN  21   0.614 -12.858  -2.441
  131   HD21  ASN  21          HD22      ASN  21  -1.358 -12.014  -2.436
  132   HD22  ASN  21          HD21      ASN  21  -1.861 -10.654  -1.495
  133    HA   PRO  22           HA       PRO  22   4.564 -13.913   1.785
  134    HB3  PRO  22           HB3      PRO  22   5.808 -15.227   0.370
  135    HG3  PRO  22           HG3      PRO  22   5.553 -15.081  -1.937
  136    HD3  PRO  22           HD3      PRO  22   3.346 -15.301  -1.308
  137    H    CYS  23           H        CYS  23   3.779 -11.508  -0.541
  138    HA   CYS  23           HA       CYS  23   5.708  -9.575  -0.213
  139    HB3  CYS  23           HB3      CYS  23   2.796  -8.837  -0.274
  140    H    LEU  24           H        LEU  24   5.931  -7.758   1.150
  141    HA   LEU  24           HA       LEU  24   5.349  -8.297   3.900
  142    HB3  LEU  24           HB3      LEU  24   6.243  -5.709   3.832
  143    HG   LEU  24           HG       LEU  24   7.907  -8.220   3.822
  144   HD11  LEU  24          HD11      LEU  24   8.777  -5.570   3.344
  145   HD12  LEU  24          HD12      LEU  24   9.753  -7.014   3.617
  146   HD13  LEU  24          HD13      LEU  24   9.268  -6.008   4.981
  147   HD21  LEU  24          HD21      LEU  24   8.111  -7.746   6.208
  148   HD22  LEU  24          HD22      LEU  24   6.422  -7.933   5.736
  149   HD23  LEU  24          HD23      LEU  24   7.085  -6.324   6.019
  150    H    ARG  25           H        ARG  25   4.624  -6.210   5.222
  151    HA   ARG  25           HA       ARG  25   2.082  -5.325   4.023
  152    HB3  ARG  25           HB3      ARG  25   2.492  -5.363   6.982
  153    HG3  ARG  25           HG3      ARG  25   0.109  -6.108   6.928
  154    HD3  ARG  25           HD3      ARG  25  -0.133  -3.655   5.424
  155    HE   ARG  25           HE       ARG  25  -0.341  -3.562   8.287
  156   HH11  ARG  25          HH11      ARG  25  -1.901  -4.560   5.339
  157   HH12  ARG  25          HH12      ARG  25  -3.495  -4.518   6.015
  158   HH21  ARG  25          HH22      ARG  25  -2.436  -3.502   9.188
  159   HH22  ARG  25          HH21      ARG  25  -3.799  -3.915   8.203
  160    H    LEU  26           H        LEU  26   1.584  -3.191   4.032
  161    HA   LEU  26           HA       LEU  26   3.524  -1.367   5.294
  162    HB3  LEU  26           HB3      LEU  26   2.523   0.157   3.325
  163    HG   LEU  26           HG       LEU  26   4.929  -1.564   3.385
  164   HD11  LEU  26          HD11      LEU  26   5.536  -1.189   1.123
  165   HD12  LEU  26          HD12      LEU  26   4.122  -0.176   0.840
  166   HD13  LEU  26          HD13      LEU  26   3.925  -1.909   1.107
  167   HD21  LEU  26          HD21      LEU  26   4.231   1.325   3.173
  168   HD22  LEU  26          HD22      LEU  26   5.798   0.780   2.576
  169   HD23  LEU  26          HD23      LEU  26   5.355   0.511   4.263
  170    H    ARG  27           H        ARG  27   0.369  -0.935   3.702
  171    HA   ARG  27           HA       ARG  27  -0.936  -0.260   6.174
  172    HB3  ARG  27           HB3      ARG  27  -1.581   2.054   5.090
  173    HG3  ARG  27           HG3      ARG  27   0.118   1.364   7.126
  174    HD3  ARG  27           HD3      ARG  27   1.576   3.451   5.552
  175    HE   ARG  27           HE       ARG  27   1.967   2.397   8.083
  176   HH11  ARG  27          HH11      ARG  27   3.814   2.858   5.168
  177   HH12  ARG  27          HH12      ARG  27   5.328   3.015   5.997
  178   HH21  ARG  27          HH22      ARG  27   3.955   2.603   9.185
  179   HH22  ARG  27          HH21      ARG  27   5.407   2.869   8.282
  180    H    GLY  28           H        GLY  28  -3.163   0.952   5.426
  181    HA2  GLY  28           HA2      GLY  28  -4.381  -0.999   3.627
  182    HA3  GLY  28           HA3      GLY  28  -5.234   0.111   4.691
  183    H    ALA  29           H        ALA  29  -2.690   1.320   2.678
  184    HA   ALA  29           HA       ALA  29  -4.511   3.098   1.349
  185    HB1  ALA  29           HB1      ALA  29  -2.286   3.648   0.072
  186    HB2  ALA  29           HB2      ALA  29  -2.517   4.155   1.746
  187    HB3  ALA  29           HB3      ALA  29  -1.556   2.720   1.384
  188    H    CYS  30           H        CYS  30  -5.587   0.906   0.571
  189    HA   CYS  30           HA       CYS  30  -4.972   0.732  -2.254
  190    HB3  CYS  30           HB3      CYS  30  -5.166  -1.896  -1.930
  191    HA   PRO  31           HA       PRO  31  -9.304   0.195  -2.679
  192    HB3  PRO  31           HB3      PRO  31  -8.990   0.175  -4.954
  193    HG3  PRO  31           HG3      PRO  31  -7.156  -0.892  -5.904
  194    HD3  PRO  31           HD3      PRO  31  -6.091   0.370  -4.297
  195    H    ARG  32           H        ARG  32 -11.082  -1.250  -2.409
  196    HA   ARG  32           HA       ARG  32 -10.818  -3.172  -0.458
  197    HB3  ARG  32           HB3      ARG  32 -13.070  -3.834  -0.938
  198    HG3  ARG  32           HG3      ARG  32 -12.443  -1.212  -0.537
  199    HD3  ARG  32           HD3      ARG  32 -12.873  -1.032  -3.108
  200    HE   ARG  32           HE       ARG  32 -15.012  -1.720  -3.574
  201   HH11  ARG  32          HH11      ARG  32 -15.038   0.354  -0.778
  202   HH12  ARG  32          HH12      ARG  32 -16.766   0.480  -0.725
  203   HH21  ARG  32          HH22      ARG  32 -17.289  -1.562  -3.514
  204   HH22  ARG  32          HH21      ARG  32 -18.044  -0.612  -2.281
  205    H    GLY  33           H        GLY  33 -10.663  -5.404  -0.402
  206    HA2  GLY  33           HA2      GLY  33 -10.399  -7.563  -1.256
  207    HA3  GLY  33           HA3      GLY  33 -10.437  -6.899  -2.882
  208    H    SER  34           H        SER  34  -8.332  -4.963  -1.386
  209    HA   SER  34           HA       SER  34  -6.023  -6.733  -1.505
  210    HB3  SER  34           HB3      SER  34  -5.440  -6.109  -3.579
  211    HG   SER  34           HG       SER  34  -7.432  -4.094  -3.385
  212    H    ARG  35           H        ARG  35  -3.989  -5.522  -0.892
  213    HA   ARG  35           HA       ARG  35  -4.486  -3.171   0.770
  214    HB3  ARG  35           HB3      ARG  35  -4.683  -5.368   2.108
  215    HG3  ARG  35           HG3      ARG  35  -1.858  -5.378   2.693
  216    HD3  ARG  35           HD3      ARG  35  -2.443  -7.893   1.995
  217    HE   ARG  35           HE       ARG  35  -3.654  -7.170   4.508
  218   HH11  ARG  35          HH11      ARG  35  -0.674  -7.681   2.782
  219   HH12  ARG  35          HH12      ARG  35   0.252  -7.997   4.211
  220   HH21  ARG  35          HH22      ARG  35  -2.445  -7.583   6.398
  221   HH22  ARG  35          HH21      ARG  35  -0.756  -7.941   6.267
  222    H    CYS  36           H        CYS  36  -2.538  -2.041   1.384
  223    HA   CYS  36           HA       CYS  36  -0.622  -1.973  -0.718
  224    HB3  CYS  36           HB3      CYS  36  -0.304  -0.638   1.966
  225    H    CYS  37           H        CYS  37   0.741  -3.644  -0.938
  226    HA   CYS  37           HA       CYS  37   2.090  -4.685   1.456
  227    HB3  CYS  37           HB3      CYS  37   0.797  -6.132  -0.360
  228    H    MET  38           H        MET  38   4.331  -4.864   1.541
  229    HA   MET  38           HA       MET  38   5.748  -3.007  -0.212
  230    HB3  MET  38           HB3      MET  38   6.922  -4.403   2.180
  231    HG3  MET  38           HG3      MET  38   7.692  -2.169   0.473
  232    HE1  MET  38           HE1      MET  38   9.670  -2.686   3.272
  233    HE2  MET  38           HE2      MET  38  10.176  -0.998   3.199
  234    HE3  MET  38           HE3      MET  38   9.244  -1.580   4.579
  235    HA   PRO  39           HA       PRO  39   7.354  -6.432  -2.548
  236    HB3  PRO  39           HB3      PRO  39   7.282  -5.025  -4.361
  237    HG3  PRO  39           HG3      PRO  39   7.583  -2.731  -4.112
  238    HD3  PRO  39           HD3      PRO  39   5.987  -3.101  -2.490
  239    H    THR  40           H        THR  40   9.723  -6.965  -3.350
  240    HA   THR  40           HA       THR  40  11.375  -6.971  -0.942
  241    HB   THR  40           HB       THR  40  12.768  -8.556  -2.585
  242    HG1  THR  40           HG1      THR  40  11.588  -9.375  -4.181
  243   HG21  THR  40          HG21      THR  40  11.872 -10.363  -1.436
  244   HG22  THR  40          HG22      THR  40  10.245  -9.682  -1.428
  245   HG23  THR  40          HG23      THR  40  11.487  -9.012  -0.369
  246    H    VAL  41           H        VAL  41  11.948  -4.690  -1.243
  247    HA   VAL  41           HA       VAL  41  14.187  -4.405  -3.135
  248    HB   VAL  41           HB       VAL  41  13.619  -1.970  -3.279
  249   HG11  VAL  41          HG11      VAL  41  12.428  -2.334  -5.161
  250   HG12  VAL  41          HG12      VAL  41  12.763  -4.029  -4.796
  251   HG13  VAL  41          HG13      VAL  41  11.218  -3.315  -4.334
  252   HG21  VAL  41          HG21      VAL  41  12.028  -1.092  -2.001
  253   HG22  VAL  41          HG22      VAL  41  10.835  -2.188  -2.693
  254   HG23  VAL  41          HG23      VAL  41  11.759  -2.675  -1.272
  255    H    ALA  42           H        ALA  42  15.446  -2.270  -2.460
  256    HA   ALA  42           HA       ALA  42  15.748  -2.228   0.463
  257    HB1  ALA  42           HB1      ALA  42  18.270  -1.958  -0.984
  258    HB2  ALA  42           HB2      ALA  42  17.877  -2.915   0.445
  259    HB3  ALA  42           HB3      ALA  42  17.513  -3.541  -1.163
  260    H    ALA  43           H        ALA  43  15.491  -0.221   1.167
  261    HA   ALA  43           HA       ALA  43  16.844   1.984  -0.119
  262    HB1  ALA  43           HB1      ALA  43  14.918   3.323  -0.567
  263    HB2  ALA  43           HB2      ALA  43  14.687   1.764  -1.361
  264    HB3  ALA  43           HB3      ALA  43  13.846   2.117   0.148
  265    H    HIS  44           H        HIS  44  17.431   1.018   2.304
  266    HA   HIS  44           HA       HIS  44  15.950   2.200   4.433
  267    HB3  HIS  44           HB3      HIS  44  18.527   1.737   5.391
  268    HD1  HIS  44           HD1      HIS  44  15.518  -0.425   4.495
  269    HD2  HIS  44           HD2      HIS  44  17.926   0.552   7.737
  270    HE1  HIS  44           HE1      HIS  44  14.533  -1.652   6.458
  Start of MODEL   15
    1    H1   ARG   1           H1       ARG   1  -5.096   7.132  -2.994
    2    HA   ARG   1           HA       ARG   1  -3.122   5.509  -3.239
    3    HB3  ARG   1           HB3      ARG   1  -5.354   4.951  -4.102
    4    HG3  ARG   1           HG3      ARG   1  -4.636   5.837  -6.837
    5    HD3  ARG   1           HD3      ARG   1  -7.329   6.312  -6.106
    6    HE   ARG   1           HE       ARG   1  -5.990   4.889  -8.111
    7   HH11  ARG   1          HH11      ARG   1  -8.977   4.794  -6.325
    8   HH12  ARG   1          HH12      ARG   1  -9.867   4.031  -7.601
    9   HH21  ARG   1          HH22      ARG   1  -7.151   3.885  -9.797
   10   HH22  ARG   1          HH21      ARG   1  -8.827   3.512  -9.575
   11    H    ARG   2           H        ARG   2  -3.484   8.210  -5.433
   12    HA   ARG   2           HA       ARG   2  -0.818   7.604  -6.532
   13    HB3  ARG   2           HB3      ARG   2  -2.729   9.280  -8.086
   14    HG3  ARG   2           HG3      ARG   2  -0.840   7.118  -8.984
   15    HD3  ARG   2           HD3      ARG   2  -1.041   8.674 -11.088
   16    HE   ARG   2           HE       ARG   2  -2.671   6.432 -10.319
   17   HH11  ARG   2          HH11      ARG   2  -1.973   8.753 -12.818
   18   HH12  ARG   2          HH12      ARG   2  -2.593   7.759 -14.094
   19   HH21  ARG   2          HH22      ARG   2  -3.490   5.114 -11.992
   20   HH22  ARG   2          HH21      ARG   2  -3.457   5.690 -13.623
   21    H    ARG   3           H        ARG   3  -3.080  10.361  -6.351
   22    HA   ARG   3           HA       ARG   3  -0.858  11.991  -5.313
   23    HB3  ARG   3           HB3      ARG   3  -2.999  13.194  -7.028
   24    HG3  ARG   3           HG3      ARG   3  -0.328  13.973  -6.067
   25    HD3  ARG   3           HD3      ARG   3  -0.389  15.634  -8.116
   26    HE   ARG   3           HE       ARG   3   0.798  13.162  -8.955
   27   HH11  ARG   3          HH11      ARG   3   1.043  15.826  -6.727
   28   HH12  ARG   3          HH12      ARG   3   2.750  15.644  -6.495
   29   HH21  ARG   3          HH22      ARG   3   3.046  12.911  -8.657
   30   HH22  ARG   3          HH21      ARG   3   3.889  13.986  -7.594
   31    H    ARG   4           H        ARG   4  -3.044  10.558  -3.947
   32    HA   ARG   4           HA       ARG   4  -4.940  12.528  -3.081
   33    HB3  ARG   4           HB3      ARG   4  -5.236  10.648  -1.226
   34    HG3  ARG   4           HG3      ARG   4  -6.147   9.367  -3.601
   35    HD3  ARG   4           HD3      ARG   4  -7.239  10.701  -1.211
   36    HE   ARG   4           HE       ARG   4  -8.541  11.295  -3.557
   37   HH11  ARG   4          HH11      ARG   4  -9.277   9.532  -0.646
   38   HH12  ARG   4          HH12      ARG   4 -10.975   9.867  -0.716
   39   HH21  ARG   4          HH22      ARG   4 -10.776  11.743  -3.661
   40   HH22  ARG   4          HH21      ARG   4 -11.826  11.125  -2.432
   41    H    ARG   5           H        ARG   5  -3.049  14.045  -2.595
   42    HA   ARG   5           HA       ARG   5  -1.882  15.251  -1.062
   43    HB3  ARG   5           HB3      ARG   5  -3.214  13.607   1.082
   44    HG3  ARG   5           HG3      ARG   5  -2.018  16.325   0.942
   45    HD3  ARG   5           HD3      ARG   5  -3.257  16.990   2.945
   46    HE   ARG   5           HE       ARG   5  -5.468  16.512   1.175
   47   HH11  ARG   5          HH11      ARG   5  -2.550  18.343   1.676
   48   HH12  ARG   5          HH12      ARG   5  -3.042  19.653   0.656
   49   HH21  ARG   5          HH22      ARG   5  -6.127  18.231  -0.172
   50   HH22  ARG   5          HH21      ARG   5  -5.077  19.590  -0.394
   51    H    ARG   6           H        ARG   6  -0.554  13.097  -2.171
   52    HA   ARG   6           HA       ARG   6   1.274  11.764  -1.924
   53    HB3  ARG   6           HB3      ARG   6   2.622  12.445   0.291
   54    HG3  ARG   6           HG3      ARG   6   2.554  14.605  -1.734
   55    HD3  ARG   6           HD3      ARG   6   4.452  13.298   0.050
   56    HE   ARG   6           HE       ARG   6   5.830  12.572  -1.625
   57   HH11  ARG   6          HH11      ARG   6   4.457  15.641  -2.528
   58   HH12  ARG   6          HH12      ARG   6   5.448  15.817  -3.940
   59   HH21  ARG   6          HH22      ARG   6   7.140  12.792  -3.478
   60   HH22  ARG   6          HH21      ARG   6   6.974  14.195  -4.479
   61    HA   PRO   7           HA       PRO   7  -0.983   9.085   1.133
   62    HB3  PRO   7           HB3      PRO   7  -2.461   8.358  -0.469
   63    HG3  PRO   7           HG3      PRO   7  -1.924   8.464  -2.730
   64    HD3  PRO   7           HD3      PRO   7  -1.404  10.619  -2.098
   65    HA   PRO   8           HA       PRO   8   2.423   6.519   2.211
   66    HB3  PRO   8           HB3      PRO   8   1.152   5.678   3.929
   67    HG3  PRO   8           HG3      PRO   8  -1.114   5.240   3.643
   68    HD3  PRO   8           HD3      PRO   8  -1.018   7.390   2.820
   69    H    CYS   9           H        CYS   9   0.052   4.781   0.204
   70    HA   CYS   9           HA       CYS   9   1.821   2.796  -0.725
   71    HB3  CYS   9           HB3      CYS   9  -0.358   3.661  -2.537
   72    H    GLU  10           H        GLU  10   1.605   6.103  -1.444
   73    HA   GLU  10           HA       GLU  10   2.773   5.864  -4.095
   74    HB3  GLU  10           HB3      GLU  10   1.986   8.244  -2.414
   75    HG3  GLU  10           HG3      GLU  10   3.857   8.934  -3.785
   76    H    ASP  11           H        ASP  11   3.672   7.514  -1.060
   77    HA   ASP  11           HA       ASP  11   6.254   8.216  -1.711
   78    HB3  ASP  11           HB3      ASP  11   6.717   8.248   0.697
   79    H    VAL  12           H        VAL  12   5.227   5.225  -0.066
   80    HA   VAL  12           HA       VAL  12   7.858   4.071  -0.284
   81    HB   VAL  12           HB       VAL  12   6.959   2.141   0.810
   82   HG11  VAL  12          HG11      VAL  12   6.975   3.254   2.730
   83   HG12  VAL  12          HG12      VAL  12   6.725   4.761   1.846
   84   HG13  VAL  12          HG13      VAL  12   5.340   3.837   2.430
   85   HG21  VAL  12          HG21      VAL  12   4.443   3.099  -0.336
   86   HG22  VAL  12          HG22      VAL  12   4.951   1.463   0.084
   87   HG23  VAL  12          HG23      VAL  12   4.306   2.533   1.328
   88    H    ASN  13           H        ASN  13   5.153   4.312  -2.309
   89    HA   ASN  13           HA       ASN  13   4.527   3.313  -4.258
   90    HB3  ASN  13           HB3      ASN  13   6.434   2.594  -5.728
   91   HD21  ASN  13          HD22      ASN  13   8.093   4.927  -3.839
   92   HD22  ASN  13          HD21      ASN  13   7.642   6.318  -4.759
   93    H    GLY  14           H        GLY  14   3.460   1.673  -2.839
   94    HA2  GLY  14           HA2      GLY  14   4.769  -0.959  -2.957
   95    HA3  GLY  14           HA3      GLY  14   3.417  -0.536  -1.916
   96    H    GLN  15           H        GLN  15   2.931  -2.767  -3.047
   97    HA   GLN  15           HA       GLN  15   1.286  -2.171  -5.417
   98    HB3  GLN  15           HB3      GLN  15   1.722  -4.351  -6.285
   99    HG3  GLN  15           HG3      GLN  15   4.405  -3.550  -5.213
  100   HE21  GLN  15          HE22      GLN  15   5.069  -5.684  -5.619
  101   HE22  GLN  15          HE21      GLN  15   5.286  -6.269  -7.230
  102    H    CYS  16           H        CYS  16  -0.823  -2.608  -5.269
  103    HA   CYS  16           HA       CYS  16  -1.988  -3.353  -2.810
  104    HB3  CYS  16           HB3      CYS  16  -4.118  -3.433  -4.115
  105    H    GLN  17           H        GLN  17  -1.503  -5.340  -2.036
  106    HA   GLN  17           HA       GLN  17  -2.239  -7.640  -3.724
  107    HB3  GLN  17           HB3      GLN  17  -0.453  -8.920  -2.846
  108    HG3  GLN  17           HG3      GLN  17   1.076  -6.396  -2.912
  109   HE21  GLN  17          HE22      GLN  17   2.101  -7.017  -5.497
  110   HE22  GLN  17          HE21      GLN  17   3.064  -8.444  -5.342
  111    HA   PRO  18           HA       PRO  18  -5.001  -8.926  -0.568
  112    HB3  PRO  18           HB3      PRO  18  -5.639 -10.625  -1.979
  113    HG3  PRO  18           HG3      PRO  18  -4.085 -11.710  -3.327
  114    HD3  PRO  18           HD3      PRO  18  -3.578  -9.517  -3.823
  115    H    ARG  19           H        ARG  19  -5.091 -10.814   1.213
  116    HA   ARG  19           HA       ARG  19  -2.733 -10.360   2.878
  117    HB3  ARG  19           HB3      ARG  19  -4.830  -9.823   3.926
  118    HG3  ARG  19           HG3      ARG  19  -6.120 -12.239   4.386
  119    HD3  ARG  19           HD3      ARG  19  -7.074 -10.392   2.251
  120    HE   ARG  19           HE       ARG  19  -8.321 -12.051   4.226
  121   HH11  ARG  19          HH11      ARG  19  -8.712  -9.221   2.237
  122   HH12  ARG  19          HH12      ARG  19 -10.443  -9.301   2.235
  123   HH21  ARG  19          HH22      ARG  19 -10.598 -12.169   4.230
  124   HH22  ARG  19          HH21      ARG  19 -11.515 -10.979   3.369
  125    H    GLY  20           H        GLY  20  -2.523 -12.205   0.693
  126    HA2  GLY  20           HA2      GLY  20  -1.775 -14.584   2.229
  127    HA3  GLY  20           HA3      GLY  20  -2.835 -14.802   0.845
  128    H    ASN  21           H        ASN  21   0.086 -12.843   1.433
  129    HA   ASN  21           HA       ASN  21   1.412 -14.283  -0.751
  130    HB3  ASN  21           HB3      ASN  21   0.994 -12.477  -2.059
  131   HD21  ASN  21          HD22      ASN  21  -0.790 -11.327  -2.101
  132   HD22  ASN  21          HD21      ASN  21  -1.230 -10.089  -0.981
  133    HA   PRO  22           HA       PRO  22   4.910 -14.329   1.903
  134    HB3  PRO  22           HB3      PRO  22   5.888 -15.748   0.385
  135    HG3  PRO  22           HG3      PRO  22   5.559 -15.469  -1.901
  136    HD3  PRO  22           HD3      PRO  22   3.372 -15.398  -1.172
  137    H    CYS  23           H        CYS  23   4.478 -11.771  -0.388
  138    HA   CYS  23           HA       CYS  23   6.709 -10.177   0.174
  139    HB3  CYS  23           HB3      CYS  23   5.015  -9.861  -1.688
  140    H    LEU  24           H        LEU  24   5.913  -7.739   1.039
  141    HA   LEU  24           HA       LEU  24   5.204  -8.262   3.845
  142    HB3  LEU  24           HB3      LEU  24   6.479  -5.720   2.954
  143    HG   LEU  24           HG       LEU  24   5.998  -6.855   5.481
  144   HD11  LEU  24          HD11      LEU  24   8.251  -6.967   6.430
  145   HD12  LEU  24          HD12      LEU  24   8.938  -6.779   4.816
  146   HD13  LEU  24          HD13      LEU  24   7.994  -8.216   5.211
  147   HD21  LEU  24          HD21      LEU  24   5.971  -4.620   5.632
  148   HD22  LEU  24          HD22      LEU  24   7.114  -4.418   4.303
  149   HD23  LEU  24          HD23      LEU  24   7.702  -4.775   5.928
  150    H    ARG  25           H        ARG  25   4.281  -6.169   4.916
  151    HA   ARG  25           HA       ARG  25   2.127  -5.168   3.171
  152    HB3  ARG  25           HB3      ARG  25   1.635  -6.710   5.230
  153    HG3  ARG  25           HG3      ARG  25   1.097  -5.437   7.254
  154    HD3  ARG  25           HD3      ARG  25   3.327  -5.266   8.141
  155    HE   ARG  25           HE       ARG  25   2.565  -7.545   6.717
  156   HH11  ARG  25          HH11      ARG  25   5.451  -6.059   7.978
  157   HH12  ARG  25          HH12      ARG  25   6.282  -7.562   8.205
  158   HH21  ARG  25          HH22      ARG  25   3.650  -9.529   7.013
  159   HH22  ARG  25          HH21      ARG  25   5.256  -9.535   7.657
  160    H    LEU  26           H        LEU  26   1.319  -3.013   3.656
  161    HA   LEU  26           HA       LEU  26   3.286  -1.284   4.994
  162    HB3  LEU  26           HB3      LEU  26   2.561   0.404   3.128
  163    HG   LEU  26           HG       LEU  26   4.669  -1.670   2.968
  164   HD11  LEU  26          HD11      LEU  26   3.472  -0.355   0.601
  165   HD12  LEU  26          HD12      LEU  26   4.293  -1.910   0.746
  166   HD13  LEU  26          HD13      LEU  26   5.233  -0.417   0.690
  167   HD21  LEU  26          HD21      LEU  26   5.399   0.219   4.056
  168   HD22  LEU  26          HD22      LEU  26   4.442   1.304   3.046
  169   HD23  LEU  26          HD23      LEU  26   5.908   0.564   2.402
  170    H    ARG  27           H        ARG  27   0.334  -0.486   3.209
  171    HA   ARG  27           HA       ARG  27  -1.223  -0.112   5.595
  172    HB3  ARG  27           HB3      ARG  27  -1.580   2.396   4.869
  173    HG3  ARG  27           HG3      ARG  27  -0.168   1.229   6.917
  174    HD3  ARG  27           HD3      ARG  27   1.549   3.453   5.866
  175    HE   ARG  27           HE       ARG  27   2.677   1.462   7.592
  176   HH11  ARG  27          HH11      ARG  27   0.825   4.407   7.481
  177   HH12  ARG  27          HH12      ARG  27   1.265   4.899   9.084
  178   HH21  ARG  27          HH22      ARG  27   3.264   2.097   9.703
  179   HH22  ARG  27          HH21      ARG  27   2.652   3.584  10.346
  180    H    GLY  28           H        GLY  28  -3.238   1.435   4.791
  181    HA2  GLY  28           HA2      GLY  28  -4.652  -0.191   2.973
  182    HA3  GLY  28           HA3      GLY  28  -5.172   1.384   3.556
  183    H    ALA  29           H        ALA  29  -5.243   3.013   2.145
  184    HA   ALA  29           HA       ALA  29  -5.217   4.067   0.119
  185    HB1  ALA  29           HB1      ALA  29  -2.797   3.998  -0.911
  186    HB2  ALA  29           HB2      ALA  29  -3.130   4.885   0.577
  187    HB3  ALA  29           HB3      ALA  29  -2.397   3.284   0.650
  188    H    CYS  30           H        CYS  30  -6.002   1.250   0.088
  189    HA   CYS  30           HA       CYS  30  -5.566   0.764  -2.765
  190    HB3  CYS  30           HB3      CYS  30  -5.513  -1.781  -1.967
  191    HA   PRO  31           HA       PRO  31  -9.836  -0.230  -2.915
  192    HB3  PRO  31           HB3      PRO  31  -9.578  -0.615  -5.165
  193    HG3  PRO  31           HG3      PRO  31  -7.674  -1.664  -5.993
  194    HD3  PRO  31           HD3      PRO  31  -6.695  -0.050  -4.669
  195    H    ARG  32           H        ARG  32 -11.439  -1.668  -2.200
  196    HA   ARG  32           HA       ARG  32 -10.888  -3.252  -0.023
  197    HB3  ARG  32           HB3      ARG  32 -13.135  -2.475  -0.531
  198    HG3  ARG  32           HG3      ARG  32 -14.293  -4.262  -2.227
  199    HD3  ARG  32           HD3      ARG  32 -13.167  -1.700  -3.288
  200    HE   ARG  32           HE       ARG  32 -15.448  -3.311  -3.918
  201   HH11  ARG  32          HH11      ARG  32 -14.183  -0.067  -3.926
  202   HH12  ARG  32          HH12      ARG  32 -15.216   0.473  -5.208
  203   HH21  ARG  32          HH22      ARG  32 -16.814  -2.613  -5.606
  204   HH22  ARG  32          HH21      ARG  32 -16.712  -0.976  -6.163
  205    H    GLY  33           H        GLY  33 -10.650  -5.458   0.351
  206    HA2  GLY  33           HA2      GLY  33 -10.272  -7.692  -0.171
  207    HA3  GLY  33           HA3      GLY  33 -10.549  -7.315  -1.865
  208    H    SER  34           H        SER  34  -8.426  -5.050  -0.923
  209    HA   SER  34           HA       SER  34  -6.039  -6.718  -1.182
  210    HB3  SER  34           HB3      SER  34  -5.142  -5.139  -2.927
  211    HG   SER  34           HG       SER  34  -7.313  -6.060  -4.247
  212    H    ARG  35           H        ARG  35  -4.051  -5.575  -0.657
  213    HA   ARG  35           HA       ARG  35  -4.376  -3.037   0.749
  214    HB3  ARG  35           HB3      ARG  35  -4.679  -5.025   2.342
  215    HG3  ARG  35           HG3      ARG  35  -1.788  -5.183   2.719
  216    HD3  ARG  35           HD3      ARG  35  -2.271  -7.426   3.306
  217    HE   ARG  35           HE       ARG  35  -4.759  -6.371   4.304
  218   HH11  ARG  35          HH11      ARG  35  -1.290  -6.330   4.593
  219   HH12  ARG  35          HH12      ARG  35  -1.303  -5.784   6.237
  220   HH21  ARG  35          HH22      ARG  35  -4.789  -5.653   6.469
  221   HH22  ARG  35          HH21      ARG  35  -3.293  -5.400   7.304
  222    H    CYS  36           H        CYS  36  -2.512  -1.804   0.869
  223    HA   CYS  36           HA       CYS  36  -0.605  -2.148  -1.146
  224    HB3  CYS  36           HB3      CYS  36  -0.009  -0.528   1.306
  225    H    CYS  37           H        CYS  37   0.723  -3.851  -1.218
  226    HA   CYS  37           HA       CYS  37   2.091  -4.678   1.251
  227    HB3  CYS  37           HB3      CYS  37   0.909  -6.137  -0.938
  228    H    MET  38           H        MET  38   4.273  -4.632   1.410
  229    HA   MET  38           HA       MET  38   5.730  -3.020  -0.437
  230    HB3  MET  38           HB3      MET  38   7.444  -4.522   1.330
  231    HG3  MET  38           HG3      MET  38   7.357  -2.083   2.435
  232    HE1  MET  38           HE1      MET  38  10.002  -1.311   2.633
  233    HE2  MET  38           HE2      MET  38   9.480  -2.945   3.043
  234    HE3  MET  38           HE3      MET  38  10.962  -2.699   2.119
  235    HA   PRO  39           HA       PRO  39   6.937  -6.222  -3.246
  236    HB3  PRO  39           HB3      PRO  39   7.092  -4.556  -4.821
  237    HG3  PRO  39           HG3      PRO  39   7.730  -2.400  -4.228
  238    HD3  PRO  39           HD3      PRO  39   6.084  -2.772  -2.659
  239    H    THR  40           H        THR  40   9.029  -7.226  -4.021
  240    HA   THR  40           HA       THR  40  10.703  -7.744  -1.712
  241    HB   THR  40           HB       THR  40  11.127  -8.987  -4.414
  242    HG1  THR  40           HG1      THR  40   9.558 -10.583  -3.718
  243   HG21  THR  40          HG21      THR  40  12.153  -9.368  -1.780
  244   HG22  THR  40          HG22      THR  40  12.577 -10.223  -3.262
  245   HG23  THR  40          HG23      THR  40  11.257 -10.814  -2.251
  246    H    VAL  41           H        VAL  41  11.500  -5.431  -1.882
  247    HA   VAL  41           HA       VAL  41  13.867  -5.358  -3.638
  248    HB   VAL  41           HB       VAL  41  13.664  -2.916  -3.747
  249   HG11  VAL  41          HG11      VAL  41  12.734  -4.007  -5.602
  250   HG12  VAL  41          HG12      VAL  41  11.335  -4.566  -4.682
  251   HG13  VAL  41          HG13      VAL  41  11.496  -2.858  -5.095
  252   HG21  VAL  41          HG21      VAL  41  12.449  -2.670  -1.586
  253   HG22  VAL  41          HG22      VAL  41  11.744  -1.748  -2.914
  254   HG23  VAL  41          HG23      VAL  41  10.994  -3.255  -2.389
  255    H    ALA  42           H        ALA  42  15.391  -3.491  -2.762
  256    HA   ALA  42           HA       ALA  42  15.546  -3.658   0.167
  257    HB1  ALA  42           HB1      ALA  42  17.040  -5.346  -1.063
  258    HB2  ALA  42           HB2      ALA  42  18.015  -3.944  -1.508
  259    HB3  ALA  42           HB3      ALA  42  17.773  -4.345   0.192
  260    H    ALA  43           H        ALA  43  14.529  -1.459  -0.872
  261    HA   ALA  43           HA       ALA  43  14.723   0.808  -0.956
  262    HB1  ALA  43           HB1      ALA  43  17.440   0.485   0.289
  263    HB2  ALA  43           HB2      ALA  43  16.335   1.854   0.417
  264    HB3  ALA  43           HB3      ALA  43  15.942   0.326   1.205
  265    H    HIS  44           H        HIS  44  14.852   0.528  -3.302
  266    HA   HIS  44           HA       HIS  44  15.757   0.908  -5.360
  267    HB3  HIS  44           HB3      HIS  44  17.825   2.683  -4.128
  268    HD1  HIS  44           HD1      HIS  44  15.099   4.311  -5.910
  269    HD2  HIS  44           HD2      HIS  44  18.680   2.462  -6.917
  270    HE1  HIS  44           HE1      HIS  44  15.606   5.061  -8.257
  Start of MODEL   16
    1    H1   ARG   1           H1       ARG   1  -6.546   8.934  -4.873
    2    HA   ARG   1           HA       ARG   1  -6.951   6.657  -3.683
    3    HB3  ARG   1           HB3      ARG   1  -8.011   5.507  -5.438
    4    HG3  ARG   1           HG3      ARG   1  -6.156   6.921  -7.153
    5    HD3  ARG   1           HD3      ARG   1  -5.471   4.333  -7.088
    6    HE   ARG   1           HE       ARG   1  -7.153   3.108  -8.026
    7   HH11  ARG   1          HH11      ARG   1  -6.887   6.133  -9.729
    8   HH12  ARG   1          HH12      ARG   1  -8.040   5.697 -10.947
    9   HH21  ARG   1          HH22      ARG   1  -8.671   2.523  -9.625
   10   HH22  ARG   1          HH21      ARG   1  -9.054   3.644 -10.887
   11    H    ARG   2           H        ARG   2  -4.846   8.032  -6.128
   12    HA   ARG   2           HA       ARG   2  -2.533   7.189  -4.515
   13    HB3  ARG   2           HB3      ARG   2  -1.957   7.589  -7.354
   14    HG3  ARG   2           HG3      ARG   2  -1.486   4.953  -6.204
   15    HD3  ARG   2           HD3      ARG   2   0.811   5.456  -6.935
   16    HE   ARG   2           HE       ARG   2  -0.556   6.280  -9.292
   17   HH11  ARG   2          HH11      ARG   2  -0.224   3.647  -7.038
   18   HH12  ARG   2          HH12      ARG   2  -0.685   2.435  -8.187
   19   HH21  ARG   2          HH22      ARG   2  -1.163   4.692 -10.813
   20   HH22  ARG   2          HH21      ARG   2  -1.217   3.030 -10.335
   21    H    ARG   3           H        ARG   3  -4.019   9.657  -4.393
   22    HA   ARG   3           HA       ARG   3  -1.834  11.489  -4.577
   23    HB3  ARG   3           HB3      ARG   3  -2.466  11.610  -6.895
   24    HG3  ARG   3           HG3      ARG   3  -5.094  12.759  -6.658
   25    HD3  ARG   3           HD3      ARG   3  -5.496  10.739  -8.264
   26    HE   ARG   3           HE       ARG   3  -3.633  12.428  -9.590
   27   HH11  ARG   3          HH11      ARG   3  -6.730  12.415  -8.001
   28   HH12  ARG   3          HH12      ARG   3  -7.336  13.777  -8.887
   29   HH21  ARG   3          HH22      ARG   3  -4.418  14.219 -10.763
   30   HH22  ARG   3          HH21      ARG   3  -6.020  14.800 -10.458
   31    H    ARG   4           H        ARG   4  -3.655  10.480  -2.577
   32    HA   ARG   4           HA       ARG   4  -5.342  12.779  -1.937
   33    HB3  ARG   4           HB3      ARG   4  -6.264  11.375  -0.166
   34    HG3  ARG   4           HG3      ARG   4  -6.039  10.017  -2.834
   35    HD3  ARG   4           HD3      ARG   4  -6.529   8.504  -0.768
   36    HE   ARG   4           HE       ARG   4  -8.678  10.259  -0.481
   37   HH11  ARG   4          HH11      ARG   4  -8.091   6.834  -0.699
   38   HH12  ARG   4          HH12      ARG   4  -9.466   6.405   0.261
   39   HH21  ARG   4          HH22      ARG   4 -10.493   9.706   0.785
   40   HH22  ARG   4          HH21      ARG   4 -10.833   8.039   1.105
   41    H    ARG   5           H        ARG   5  -3.841  14.332  -1.334
   42    HA   ARG   5           HA       ARG   5  -2.364  15.447  -0.004
   43    HB3  ARG   5           HB3      ARG   5  -2.662  15.147   2.406
   44    HG3  ARG   5           HG3      ARG   5  -5.435  14.741   1.932
   45    HD3  ARG   5           HD3      ARG   5  -4.335  17.476   1.968
   46    HE   ARG   5           HE       ARG   5  -6.011  16.687   4.121
   47   HH11  ARG   5          HH11      ARG   5  -6.024  17.352   0.704
   48   HH12  ARG   5          HH12      ARG   5  -7.693  17.815   0.668
   49   HH21  ARG   5          HH22      ARG   5  -8.210  17.293   4.086
   50   HH22  ARG   5          HH21      ARG   5  -8.936  17.782   2.592
   51    H    ARG   6           H        ARG   6  -1.275  13.235  -1.387
   52    HA   ARG   6           HA       ARG   6   0.594  11.944  -1.484
   53    HB3  ARG   6           HB3      ARG   6   2.341  12.606   0.402
   54    HG3  ARG   6           HG3      ARG   6   1.556  13.992  -2.075
   55    HD3  ARG   6           HD3      ARG   6   3.191  15.280   0.088
   56    HE   ARG   6           HE       ARG   6   3.348  16.522  -2.492
   57   HH11  ARG   6          HH11      ARG   6   4.827  14.207  -0.352
   58   HH12  ARG   6          HH12      ARG   6   6.396  14.347  -1.073
   59   HH21  ARG   6          HH22      ARG   6   5.410  16.714  -3.450
   60   HH22  ARG   6          HH21      ARG   6   6.727  15.773  -2.835
   61    HA   PRO   7           HA       PRO   7  -1.065   9.220   1.899
   62    HB3  PRO   7           HB3      PRO   7  -2.794   8.489   0.573
   63    HG3  PRO   7           HG3      PRO   7  -2.663   8.616  -1.745
   64    HD3  PRO   7           HD3      PRO   7  -2.058  10.772  -1.195
   65    HA   PRO   8           HA       PRO   8   2.501   6.686   2.341
   66    HB3  PRO   8           HB3      PRO   8   1.561   5.820   4.250
   67    HG3  PRO   8           HG3      PRO   8  -0.717   5.362   4.364
   68    HD3  PRO   8           HD3      PRO   8  -0.786   7.517   3.553
   69    H    CYS   9           H        CYS   9  -0.149   4.775   0.901
   70    HA   CYS   9           HA       CYS   9   1.409   2.850  -0.361
   71    HB3  CYS   9           HB3      CYS   9  -1.074   3.868  -1.689
   72    H    GLU  10           H        GLU  10   0.856   6.159  -1.196
   73    HA   GLU  10           HA       GLU  10   1.709   5.892  -3.936
   74    HB3  GLU  10           HB3      GLU  10   1.259   8.322  -2.196
   75    HG3  GLU  10           HG3      GLU  10   0.962   9.075  -4.839
   76    H    ASP  11           H        ASP  11   3.078   7.509  -1.065
   77    HA   ASP  11           HA       ASP  11   5.520   8.243  -2.108
   78    HB3  ASP  11           HB3      ASP  11   6.059   7.413   0.524
   79    H    VAL  12           H        VAL  12   4.771   5.208  -0.393
   80    HA   VAL  12           HA       VAL  12   7.338   4.072  -1.000
   81    HB   VAL  12           HB       VAL  12   6.568   2.084   0.098
   82   HG11  VAL  12          HG11      VAL  12   5.707   3.044   2.253
   83   HG12  VAL  12          HG12      VAL  12   7.166   3.811   1.623
   84   HG13  VAL  12          HG13      VAL  12   5.601   4.603   1.435
   85   HG21  VAL  12          HG21      VAL  12   4.072   2.240   0.964
   86   HG22  VAL  12          HG22      VAL  12   3.884   3.207  -0.498
   87   HG23  VAL  12          HG23      VAL  12   4.464   1.545  -0.610
   88    H    ASN  13           H        ASN  13   4.370   4.340  -2.644
   89    HA   ASN  13           HA       ASN  13   3.444   3.249  -4.443
   90    HB3  ASN  13           HB3      ASN  13   5.049   4.643  -5.559
   91   HD21  ASN  13          HD22      ASN  13   6.796   5.278  -4.296
   92   HD22  ASN  13          HD21      ASN  13   8.330   4.488  -4.392
   93    H    GLY  14           H        GLY  14   3.225   1.337  -2.862
   94    HA2  GLY  14           HA2      GLY  14   4.925  -0.930  -3.574
   95    HA3  GLY  14           HA3      GLY  14   3.732  -0.891  -2.286
   96    H    GLN  15           H        GLN  15   3.315  -3.063  -3.337
   97    HA   GLN  15           HA       GLN  15   1.534  -2.783  -5.660
   98    HB3  GLN  15           HB3      GLN  15   1.966  -5.039  -6.203
   99    HG3  GLN  15           HG3      GLN  15   4.574  -4.036  -5.085
  100   HE21  GLN  15          HE22      GLN  15   5.194  -4.536  -8.093
  101   HE22  GLN  15          HE21      GLN  15   5.623  -6.209  -8.115
  102    H    CYS  16           H        CYS  16  -0.582  -2.978  -5.368
  103    HA   CYS  16           HA       CYS  16  -1.676  -3.536  -2.794
  104    HB3  CYS  16           HB3      CYS  16  -3.860  -3.258  -3.911
  105    H    GLN  17           H        GLN  17  -1.147  -5.627  -2.206
  106    HA   GLN  17           HA       GLN  17  -2.319  -7.767  -3.857
  107    HB3  GLN  17           HB3      GLN  17  -0.640  -9.231  -3.171
  108    HG3  GLN  17           HG3      GLN  17   1.085  -6.833  -2.910
  109   HE21  GLN  17          HE22      GLN  17   1.499  -7.909  -5.883
  110   HE22  GLN  17          HE21      GLN  17   2.644  -9.176  -5.626
  111    HA   PRO  18           HA       PRO  18  -5.120  -8.824  -0.651
  112    HB3  PRO  18           HB3      PRO  18  -5.960 -10.430  -2.064
  113    HG3  PRO  18           HG3      PRO  18  -4.556 -11.647  -3.462
  114    HD3  PRO  18           HD3      PRO  18  -3.839  -9.511  -3.946
  115    H    ARG  19           H        ARG  19  -5.361 -10.721   1.109
  116    HA   ARG  19           HA       ARG  19  -2.940 -10.521   2.730
  117    HB3  ARG  19           HB3      ARG  19  -4.306 -11.013   4.613
  118    HG3  ARG  19           HG3      ARG  19  -4.997  -8.892   2.925
  119    HD3  ARG  19           HD3      ARG  19  -7.375 -10.421   3.929
  120    HE   ARG  19           HE       ARG  19  -7.122  -7.602   4.061
  121   HH11  ARG  19          HH11      ARG  19  -9.323 -10.131   3.119
  122   HH12  ARG  19          HH12      ARG  19 -10.742  -9.178   3.398
  123   HH21  ARG  19          HH22      ARG  19  -8.984  -6.337   4.431
  124   HH22  ARG  19          HH21      ARG  19 -10.549  -7.020   4.143
  125    H    GLY  20           H        GLY  20  -2.157 -12.170   0.962
  126    HA2  GLY  20           HA2      GLY  20  -2.000 -14.715   2.301
  127    HA3  GLY  20           HA3      GLY  20  -2.890 -14.787   0.788
  128    H    ASN  21           H        ASN  21  -0.240 -12.567   1.233
  129    HA   ASN  21           HA       ASN  21   1.403 -14.246  -0.549
  130    HB3  ASN  21           HB3      ASN  21   1.172 -12.536  -2.004
  131   HD21  ASN  21          HD22      ASN  21  -0.867 -11.797  -2.139
  132   HD22  ASN  21          HD21      ASN  21  -1.467 -10.426  -1.276
  133    HA   PRO  22           HA       PRO  22   4.533 -14.124   2.539
  134    HB3  PRO  22           HB3      PRO  22   5.540 -15.833   1.377
  135    HG3  PRO  22           HG3      PRO  22   5.453 -15.916  -0.945
  136    HD3  PRO  22           HD3      PRO  22   3.220 -15.589  -0.477
  137    H    CYS  23           H        CYS  23   4.318 -11.855   0.008
  138    HA   CYS  23           HA       CYS  23   6.658 -10.358   0.347
  139    HB3  CYS  23           HB3      CYS  23   4.926 -10.122  -1.491
  140    H    LEU  24           H        LEU  24   6.046  -7.801   0.979
  141    HA   LEU  24           HA       LEU  24   5.517  -7.995   3.858
  142    HB3  LEU  24           HB3      LEU  24   6.609  -5.543   2.560
  143    HG   LEU  24           HG       LEU  24   6.380  -6.352   5.236
  144   HD11  LEU  24          HD11      LEU  24   9.288  -6.018   4.685
  145   HD12  LEU  24          HD12      LEU  24   8.564  -7.619   4.539
  146   HD13  LEU  24          HD13      LEU  24   8.477  -6.750   6.070
  147   HD21  LEU  24          HD21      LEU  24   8.086  -4.218   5.259
  148   HD22  LEU  24          HD22      LEU  24   6.330  -4.118   5.123
  149   HD23  LEU  24          HD23      LEU  24   7.330  -4.075   3.671
  150    H    ARG  25           H        ARG  25   4.539  -5.930   4.815
  151    HA   ARG  25           HA       ARG  25   2.286  -5.072   3.117
  152    HB3  ARG  25           HB3      ARG  25   1.654  -6.576   5.005
  153    HG3  ARG  25           HG3      ARG  25   1.510  -5.309   7.255
  154    HD3  ARG  25           HD3      ARG  25   4.243  -6.003   7.258
  155    HE   ARG  25           HE       ARG  25   1.905  -6.968   8.461
  156   HH11  ARG  25          HH11      ARG  25   5.024  -8.104   7.411
  157   HH12  ARG  25          HH12      ARG  25   5.107  -9.368   8.592
  158   HH21  ARG  25          HH22      ARG  25   2.002  -8.629  10.020
  159   HH22  ARG  25          HH21      ARG  25   3.387  -9.667  10.075
  160    H    LEU  26           H        LEU  26   1.434  -2.936   3.534
  161    HA   LEU  26           HA       LEU  26   3.381  -1.114   4.782
  162    HB3  LEU  26           HB3      LEU  26   2.468   0.514   2.942
  163    HG   LEU  26           HG       LEU  26   4.643  -1.486   2.646
  164   HD11  LEU  26          HD11      LEU  26   3.255  -0.177   0.393
  165   HD12  LEU  26          HD12      LEU  26   4.195  -1.668   0.439
  166   HD13  LEU  26          HD13      LEU  26   5.018  -0.109   0.381
  167   HD21  LEU  26          HD21      LEU  26   4.326   1.468   2.858
  168   HD22  LEU  26          HD22      LEU  26   5.764   0.819   2.072
  169   HD23  LEU  26          HD23      LEU  26   5.399   0.381   3.741
  170    H    ARG  27           H        ARG  27   0.226  -0.636   3.215
  171    HA   ARG  27           HA       ARG  27  -1.047  -0.078   5.755
  172    HB3  ARG  27           HB3      ARG  27  -1.838   2.178   4.496
  173    HG3  ARG  27           HG3      ARG  27  -0.524   1.697   6.788
  174    HD3  ARG  27           HD3      ARG  27   1.346   3.609   5.496
  175    HE   ARG  27           HE       ARG  27   2.365   1.707   7.362
  176   HH11  ARG  27          HH11      ARG  27   0.515   4.642   7.073
  177   HH12  ARG  27          HH12      ARG  27   0.898   5.195   8.669
  178   HH21  ARG  27          HH22      ARG  27   2.877   2.424   9.467
  179   HH22  ARG  27          HH21      ARG  27   2.242   3.933  10.030
  180    H    GLY  28           H        GLY  28  -3.378   0.893   5.176
  181    HA2  GLY  28           HA2      GLY  28  -4.499  -1.039   3.281
  182    HA3  GLY  28           HA3      GLY  28  -5.390  -0.180   4.529
  183    H    ALA  29           H        ALA  29  -3.325   1.898   2.891
  184    HA   ALA  29           HA       ALA  29  -5.289   3.561   1.901
  185    HB1  ALA  29           HB1      ALA  29  -3.049   3.804   0.181
  186    HB2  ALA  29           HB2      ALA  29  -3.500   4.822   1.550
  187    HB3  ALA  29           HB3      ALA  29  -2.452   3.427   1.798
  188    H    CYS  30           H        CYS  30  -3.940   0.681   0.488
  189    HA   CYS  30           HA       CYS  30  -4.640   1.048  -2.190
  190    HB3  CYS  30           HB3      CYS  30  -4.941  -1.613  -1.948
  191    HA   PRO  31           HA       PRO  31  -8.995   0.632  -2.481
  192    HB3  PRO  31           HB3      PRO  31  -8.769   0.675  -4.766
  193    HG3  PRO  31           HG3      PRO  31  -7.007  -0.422  -5.817
  194    HD3  PRO  31           HD3      PRO  31  -5.842   0.757  -4.215
  195    H    ARG  32           H        ARG  32 -10.787  -0.721  -2.085
  196    HA   ARG  32           HA       ARG  32 -10.482  -2.745  -0.252
  197    HB3  ARG  32           HB3      ARG  32 -12.610  -1.595  -0.666
  198    HG3  ARG  32           HG3      ARG  32 -14.004  -2.852  -2.543
  199    HD3  ARG  32           HD3      ARG  32 -12.647  -0.836  -3.977
  200    HE   ARG  32           HE       ARG  32 -15.246  -1.172  -2.857
  201   HH11  ARG  32          HH11      ARG  32 -13.063   1.176  -4.214
  202   HH12  ARG  32          HH12      ARG  32 -14.328   2.230  -4.756
  203   HH21  ARG  32          HH22      ARG  32 -16.919   0.206  -3.567
  204   HH22  ARG  32          HH21      ARG  32 -16.520   1.677  -4.386
  205    H    GLY  33           H        GLY  33 -10.640  -5.020  -0.331
  206    HA2  GLY  33           HA2      GLY  33 -10.654  -7.119  -1.393
  207    HA3  GLY  33           HA3      GLY  33 -10.446  -6.312  -2.941
  208    H    SER  34           H        SER  34  -8.220  -4.693  -1.614
  209    HA   SER  34           HA       SER  34  -6.169  -6.736  -1.282
  210    HB3  SER  34           HB3      SER  34  -5.915  -6.513  -3.596
  211    HG   SER  34           HG       SER  34  -5.771  -4.118  -4.339
  212    H    ARG  35           H        ARG  35  -4.057  -5.768  -0.649
  213    HA   ARG  35           HA       ARG  35  -4.369  -3.151   0.655
  214    HB3  ARG  35           HB3      ARG  35  -4.649  -5.130   2.238
  215    HG3  ARG  35           HG3      ARG  35  -1.815  -5.404   2.684
  216    HD3  ARG  35           HD3      ARG  35  -2.727  -7.894   2.243
  217    HE   ARG  35           HE       ARG  35  -3.639  -6.849   4.763
  218   HH11  ARG  35          HH11      ARG  35  -0.863  -7.772   2.874
  219   HH12  ARG  35          HH12      ARG  35   0.142  -8.062   4.253
  220   HH21  ARG  35          HH22      ARG  35  -2.323  -7.227   6.588
  221   HH22  ARG  35          HH21      ARG  35  -0.688  -7.752   6.366
  222    H    CYS  36           H        CYS  36  -2.423  -1.983   0.992
  223    HA   CYS  36           HA       CYS  36  -0.550  -2.209  -1.105
  224    HB3  CYS  36           HB3      CYS  36   0.278  -0.700   1.299
  225    H    CYS  37           H        CYS  37   0.977  -3.695  -1.296
  226    HA   CYS  37           HA       CYS  37   2.327  -4.648   1.145
  227    HB3  CYS  37           HB3      CYS  37   1.097  -6.098  -1.051
  228    H    MET  38           H        MET  38   4.500  -4.532   1.234
  229    HA   MET  38           HA       MET  38   5.865  -3.048  -0.820
  230    HB3  MET  38           HB3      MET  38   7.743  -4.042   1.034
  231    HG3  MET  38           HG3      MET  38   7.006  -1.586   2.024
  232    HE1  MET  38           HE1      MET  38   9.444   0.529  -0.014
  233    HE2  MET  38           HE2      MET  38   8.067   0.466   1.086
  234    HE3  MET  38           HE3      MET  38   9.703   0.259   1.709
  235    HA   PRO  39           HA       PRO  39   7.365  -6.498  -3.122
  236    HB3  PRO  39           HB3      PRO  39   7.704  -5.004  -4.835
  237    HG3  PRO  39           HG3      PRO  39   8.337  -2.808  -4.405
  238    HD3  PRO  39           HD3      PRO  39   6.544  -2.995  -2.968
  239    H    THR  40           H        THR  40   9.771  -7.257  -3.781
  240    HA   THR  40           HA       THR  40  11.196  -7.557  -1.225
  241    HB   THR  40           HB       THR  40  10.339  -9.654  -2.205
  242    HG1  THR  40           HG1      THR  40  13.141  -9.756  -2.499
  243   HG21  THR  40          HG21      THR  40  11.259  -8.538  -4.615
  244   HG22  THR  40          HG22      THR  40  10.515 -10.118  -4.377
  245   HG23  THR  40          HG23      THR  40  12.269  -9.950  -4.311
  246    H    VAL  41           H        VAL  41  11.632  -5.245  -2.768
  247    HA   VAL  41           HA       VAL  41  13.962  -5.537  -4.401
  248    HB   VAL  41           HB       VAL  41  14.071  -3.066  -4.324
  249   HG11  VAL  41          HG11      VAL  41  12.771  -3.706  -6.092
  250   HG12  VAL  41          HG12      VAL  41  11.595  -4.535  -5.071
  251   HG13  VAL  41          HG13      VAL  41  11.590  -2.774  -5.173
  252   HG21  VAL  41          HG21      VAL  41  11.532  -2.614  -3.042
  253   HG22  VAL  41          HG22      VAL  41  12.665  -3.385  -1.931
  254   HG23  VAL  41          HG23      VAL  41  13.097  -1.869  -2.722
  255    H    ALA  42           H        ALA  42  15.847  -3.886  -3.794
  256    HA   ALA  42           HA       ALA  42  16.696  -4.568  -1.054
  257    HB1  ALA  42           HB1      ALA  42  17.879  -5.518  -3.248
  258    HB2  ALA  42           HB2      ALA  42  18.754  -3.992  -3.103
  259    HB3  ALA  42           HB3      ALA  42  18.768  -5.148  -1.770
  260    H    ALA  43           H        ALA  43  17.056  -2.179  -3.663
  261    HA   ALA  43           HA       ALA  43  17.446   0.063  -3.638
  262    HB1  ALA  43           HB1      ALA  43  16.230   1.325  -2.144
  263    HB2  ALA  43           HB2      ALA  43  15.390  -0.224  -2.062
  264    HB3  ALA  43           HB3      ALA  43  16.536   0.224  -0.800
  265    H    HIS  44           H        HIS  44  18.366   1.866  -1.875
  266    HA   HIS  44           HA       HIS  44  20.693   0.716  -0.531
  267    HB3  HIS  44           HB3      HIS  44  20.996   3.037  -2.435
  268    HD1  HIS  44           HD1      HIS  44  23.350   0.170  -1.826
  269    HD2  HIS  44           HD2      HIS  44  23.018   4.220  -0.960
  270    HE1  HIS  44           HE1      HIS  44  25.583   0.842  -0.885
  Start of MODEL   17
    1    H1   ARG   1           H1       ARG   1  -7.788  10.113  -8.755
    2    HA   ARG   1           HA       ARG   1  -9.819   9.759  -7.013
    3    HB3  ARG   1           HB3      ARG   1  -9.141   7.151  -6.525
    4    HG3  ARG   1           HG3      ARG   1 -11.443   8.245  -6.710
    5    HD3  ARG   1           HD3      ARG   1 -11.728   6.936  -9.336
    6    HE   ARG   1           HE       ARG   1 -13.306   8.608  -7.869
    7   HH11  ARG   1          HH11      ARG   1 -11.932   8.701 -11.067
    8   HH12  ARG   1          HH12      ARG   1 -13.227   9.640 -11.736
    9   HH21  ARG   1          HH22      ARG   1 -15.015   9.843  -8.738
   10   HH22  ARG   1          HH21      ARG   1 -14.979  10.289 -10.411
   11    H    ARG   2           H        ARG   2  -6.571   8.540  -7.702
   12    HA   ARG   2           HA       ARG   2  -5.764   8.581  -4.946
   13    HB3  ARG   2           HB3      ARG   2  -3.625   7.888  -5.719
   14    HG3  ARG   2           HG3      ARG   2  -5.663   6.754  -7.623
   15    HD3  ARG   2           HD3      ARG   2  -3.838   4.794  -7.093
   16    HE   ARG   2           HE       ARG   2  -4.678   6.006  -9.365
   17   HH11  ARG   2          HH11      ARG   2  -1.558   5.019  -8.177
   18   HH12  ARG   2          HH12      ARG   2  -0.908   4.717  -9.755
   19   HH21  ARG   2          HH22      ARG   2  -3.833   5.613 -11.447
   20   HH22  ARG   2          HH21      ARG   2  -2.202   5.057 -11.613
   21    H    ARG   3           H        ARG   3  -3.386   9.736  -4.761
   22    HA   ARG   3           HA       ARG   3  -2.308  11.710  -4.421
   23    HB3  ARG   3           HB3      ARG   3  -3.765  13.071  -6.629
   24    HG3  ARG   3           HG3      ARG   3  -1.206  13.279  -5.354
   25    HD3  ARG   3           HD3      ARG   3  -1.175  13.015  -8.359
   26    HE   ARG   3           HE       ARG   3   0.581  14.447  -6.691
   27   HH11  ARG   3          HH11      ARG   3   0.613  12.133  -9.290
   28   HH12  ARG   3          HH12      ARG   3   2.151  12.645  -9.901
   29   HH21  ARG   3          HH22      ARG   3   2.607  15.131  -7.485
   30   HH22  ARG   3          HH21      ARG   3   3.284  14.350  -8.874
   31    H    ARG   4           H        ARG   4  -4.928  11.177  -3.206
   32    HA   ARG   4           HA       ARG   4  -6.437  13.584  -3.119
   33    HB3  ARG   4           HB3      ARG   4  -7.117  12.365  -0.807
   34    HG3  ARG   4           HG3      ARG   4  -8.712  10.939  -2.150
   35    HD3  ARG   4           HD3      ARG   4  -8.665  13.801  -3.068
   36    HE   ARG   4           HE       ARG   4 -10.624  11.886  -3.282
   37   HH11  ARG   4          HH11      ARG   4 -10.315  15.014  -1.788
   38   HH12  ARG   4          HH12      ARG   4 -11.994  15.407  -1.958
   39   HH21  ARG   4          HH22      ARG   4 -12.837  12.390  -3.513
   40   HH22  ARG   4          HH21      ARG   4 -13.428  13.913  -2.939
   41    H    ARG   5           H        ARG   5  -3.780  12.288  -1.219
   42    HA   ARG   5           HA       ARG   5  -3.110  14.880  -0.222
   43    HB3  ARG   5           HB3      ARG   5  -3.627  13.016   2.027
   44    HG3  ARG   5           HG3      ARG   5  -4.533  15.836   2.001
   45    HD3  ARG   5           HD3      ARG   5  -4.504  14.024   3.923
   46    HE   ARG   5           HE       ARG   5  -1.743  14.546   3.690
   47   HH11  ARG   5          HH11      ARG   5  -4.262  14.262   6.078
   48   HH12  ARG   5          HH12      ARG   5  -3.189  13.749   7.338
   49   HH21  ARG   5          HH22      ARG   5  -0.321  13.872   5.343
   50   HH22  ARG   5          HH21      ARG   5  -0.949  13.529   6.919
   51    H    ARG   6           H        ARG   6  -1.795  12.877  -1.727
   52    HA   ARG   6           HA       ARG   6   0.166  11.727  -1.867
   53    HB3  ARG   6           HB3      ARG   6   1.908  12.577  -0.076
   54    HG3  ARG   6           HG3      ARG   6   1.229  14.916  -1.635
   55    HD3  ARG   6           HD3      ARG   6   3.430  14.492  -2.604
   56    HE   ARG   6           HE       ARG   6   4.054  13.923   0.138
   57   HH11  ARG   6          HH11      ARG   6   2.826  16.323  -2.066
   58   HH12  ARG   6          HH12      ARG   6   3.260  17.662  -1.056
   59   HH21  ARG   6          HH22      ARG   6   4.631  15.678   1.476
   60   HH22  ARG   6          HH21      ARG   6   4.289  17.294   0.959
   61    HA   PRO   7           HA       PRO   7  -1.101   8.899   1.610
   62    HB3  PRO   7           HB3      PRO   7  -2.835   8.017   0.386
   63    HG3  PRO   7           HG3      PRO   7  -2.846   8.136  -1.936
   64    HD3  PRO   7           HD3      PRO   7  -2.393  10.338  -1.429
   65    HA   PRO   8           HA       PRO   8   2.683   6.674   1.858
   66    HB3  PRO   8           HB3      PRO   8   1.928   5.753   3.823
   67    HG3  PRO   8           HG3      PRO   8  -0.293   5.107   4.069
   68    HD3  PRO   8           HD3      PRO   8  -0.588   7.243   3.253
   69    H    CYS   9           H        CYS   9   0.124   4.536   0.582
   70    HA   CYS   9           HA       CYS   9   1.759   2.734  -0.757
   71    HB3  CYS   9           HB3      CYS   9  -0.774   3.406  -2.116
   72    H    GLU  10           H        GLU  10   0.892   5.980  -1.579
   73    HA   GLU  10           HA       GLU  10   1.623   5.753  -4.357
   74    HB3  GLU  10           HB3      GLU  10   1.059   8.162  -2.621
   75    HG3  GLU  10           HG3      GLU  10   2.435   8.829  -4.516
   76    H    ASP  11           H        ASP  11   2.990   7.494  -1.561
   77    HA   ASP  11           HA       ASP  11   5.294   8.452  -2.718
   78    HB3  ASP  11           HB3      ASP  11   6.258   8.505  -0.471
   79    H    VAL  12           H        VAL  12   5.009   5.386  -0.912
   80    HA   VAL  12           HA       VAL  12   7.597   4.493  -1.775
   81    HB   VAL  12           HB       VAL  12   7.131   2.452  -0.586
   82   HG11  VAL  12          HG11      VAL  12   7.596   3.583   1.266
   83   HG12  VAL  12          HG12      VAL  12   6.895   5.048   0.577
   84   HG13  VAL  12          HG13      VAL  12   5.879   3.921   1.473
   85   HG21  VAL  12          HG21      VAL  12   4.698   2.559   0.581
   86   HG22  VAL  12          HG22      VAL  12   4.336   3.288  -0.985
   87   HG23  VAL  12          HG23      VAL  12   5.039   1.673  -0.905
   88    H    ASN  13           H        ASN  13   4.514   4.494  -3.161
   89    HA   ASN  13           HA       ASN  13   3.568   3.451  -4.954
   90    HB3  ASN  13           HB3      ASN  13   5.178   2.912  -6.815
   91   HD21  ASN  13          HD22      ASN  13   6.945   5.411  -5.262
   92   HD22  ASN  13          HD21      ASN  13   6.176   6.745  -6.047
   93    H    GLY  14           H        GLY  14   3.691   1.771  -2.809
   94    HA2  GLY  14           HA2      GLY  14   4.958  -0.718  -3.400
   95    HA3  GLY  14           HA3      GLY  14   3.737  -0.440  -2.166
   96    H    GLN  15           H        GLN  15   3.441  -2.757  -3.257
   97    HA   GLN  15           HA       GLN  15   1.671  -2.555  -5.575
   98    HB3  GLN  15           HB3      GLN  15   1.759  -5.202  -5.051
   99    HG3  GLN  15           HG3      GLN  15   4.202  -4.760  -6.344
  100   HE21  GLN  15          HE22      GLN  15   3.996  -6.649  -7.333
  101   HE22  GLN  15          HE21      GLN  15   2.686  -7.108  -8.362
  102    H    CYS  16           H        CYS  16  -0.321  -3.936  -5.543
  103    HA   CYS  16           HA       CYS  16  -1.603  -3.820  -2.890
  104    HB3  CYS  16           HB3      CYS  16  -3.741  -3.395  -4.117
  105    H    GLN  17           H        GLN  17  -1.797  -5.837  -2.165
  106    HA   GLN  17           HA       GLN  17  -3.096  -7.814  -3.878
  107    HB3  GLN  17           HB3      GLN  17  -1.303  -9.120  -4.105
  108    HG3  GLN  17           HG3      GLN  17   0.339  -7.305  -2.370
  109   HE21  GLN  17          HE22      GLN  17   1.246  -9.593  -2.113
  110   HE22  GLN  17          HE21      GLN  17   2.453 -10.055  -3.261
  111    HA   PRO  18           HA       PRO  18  -5.307  -8.983  -0.277
  112    HB3  PRO  18           HB3      PRO  18  -6.377 -10.570  -1.546
  113    HG3  PRO  18           HG3      PRO  18  -5.230 -11.789  -3.160
  114    HD3  PRO  18           HD3      PRO  18  -4.580  -9.655  -3.739
  115    H    ARG  19           H        ARG  19  -5.275 -10.918   1.473
  116    HA   ARG  19           HA       ARG  19  -2.644 -10.714   2.713
  117    HB3  ARG  19           HB3      ARG  19  -4.631 -10.108   4.033
  118    HG3  ARG  19           HG3      ARG  19  -5.558 -12.711   4.725
  119    HD3  ARG  19           HD3      ARG  19  -6.650 -10.112   3.831
  120    HE   ARG  19           HE       ARG  19  -7.886 -12.262   2.748
  121   HH11  ARG  19          HH11      ARG  19  -8.745 -10.016   5.266
  122   HH12  ARG  19          HH12      ARG  19 -10.447 -10.132   4.968
  123   HH21  ARG  19          HH22      ARG  19 -10.125 -12.424   2.347
  124   HH22  ARG  19          HH21      ARG  19 -11.232 -11.504   3.308
  125    H    GLY  20           H        GLY  20  -2.766 -12.431   0.496
  126    HA2  GLY  20           HA2      GLY  20  -2.268 -15.014   1.831
  127    HA3  GLY  20           HA3      GLY  20  -3.191 -14.944   0.337
  128    H    ASN  21           H        ASN  21  -0.360 -12.991   1.094
  129    HA   ASN  21           HA       ASN  21   1.265 -14.601  -0.731
  130    HB3  ASN  21           HB3      ASN  21   0.801 -13.085  -2.360
  131   HD21  ASN  21          HD22      ASN  21  -1.315 -12.460  -2.261
  132   HD22  ASN  21          HD21      ASN  21  -1.828 -10.956  -1.582
  133    HA   PRO  22           HA       PRO  22   4.515 -13.836   2.118
  134    HB3  PRO  22           HB3      PRO  22   5.789 -15.293   0.881
  135    HG3  PRO  22           HG3      PRO  22   5.636 -15.348  -1.439
  136    HD3  PRO  22           HD3      PRO  22   3.400 -15.470  -0.891
  137    H    CYS  23           H        CYS  23   3.884 -11.633  -0.446
  138    HA   CYS  23           HA       CYS  23   5.844  -9.714  -0.194
  139    HB3  CYS  23           HB3      CYS  23   2.956  -8.933  -0.478
  140    H    LEU  24           H        LEU  24   6.214  -7.960   1.121
  141    HA   LEU  24           HA       LEU  24   5.508  -8.182   3.831
  142    HB3  LEU  24           HB3      LEU  24   6.244  -5.511   3.348
  143    HG   LEU  24           HG       LEU  24   8.086  -7.801   4.035
  144   HD11  LEU  24          HD11      LEU  24   8.609  -5.071   3.453
  145   HD12  LEU  24          HD12      LEU  24   9.729  -6.317   4.001
  146   HD13  LEU  24          HD13      LEU  24   8.864  -5.330   5.179
  147   HD21  LEU  24          HD21      LEU  24   7.746  -7.058   6.356
  148   HD22  LEU  24          HD22      LEU  24   6.257  -7.646   5.616
  149   HD23  LEU  24          HD23      LEU  24   6.526  -5.912   5.796
  150    H    ARG  25           H        ARG  25   4.718  -5.936   4.918
  151    HA   ARG  25           HA       ARG  25   2.157  -5.263   3.626
  152    HB3  ARG  25           HB3      ARG  25   1.866  -6.747   5.588
  153    HG3  ARG  25           HG3      ARG  25   2.112  -5.511   7.843
  154    HD3  ARG  25           HD3      ARG  25   4.805  -6.146   7.402
  155    HE   ARG  25           HE       ARG  25   3.151  -8.341   8.190
  156   HH11  ARG  25          HH11      ARG  25   4.394  -5.243   9.181
  157   HH12  ARG  25          HH12      ARG  25   4.267  -5.588  10.874
  158   HH21  ARG  25          HH22      ARG  25   2.978  -8.807  10.417
  159   HH22  ARG  25          HH21      ARG  25   3.462  -7.615  11.576
  160    H    LEU  26           H        LEU  26   1.306  -3.154   4.087
  161    HA   LEU  26           HA       LEU  26   3.259  -1.230   5.140
  162    HB3  LEU  26           HB3      LEU  26   2.207   0.275   3.226
  163    HG   LEU  26           HG       LEU  26   4.620  -1.378   3.235
  164   HD11  LEU  26          HD11      LEU  26   4.685  -0.403   0.650
  165   HD12  LEU  26          HD12      LEU  26   3.084  -1.130   0.789
  166   HD13  LEU  26          HD13      LEU  26   4.521  -2.093   1.131
  167   HD21  LEU  26          HD21      LEU  26   3.845   1.444   2.599
  168   HD22  LEU  26          HD22      LEU  26   5.448   0.831   2.189
  169   HD23  LEU  26          HD23      LEU  26   4.910   0.837   3.869
  170    H    ARG  27           H        ARG  27   0.085  -0.867   3.586
  171    HA   ARG  27           HA       ARG  27  -1.244  -0.345   6.083
  172    HB3  ARG  27           HB3      ARG  27  -1.957   1.997   5.099
  173    HG3  ARG  27           HG3      ARG  27  -0.246   1.266   7.112
  174    HD3  ARG  27           HD3      ARG  27   1.154   3.472   5.657
  175    HE   ARG  27           HE       ARG  27   1.604   2.158   8.101
  176   HH11  ARG  27          HH11      ARG  27   3.329   3.301   5.302
  177   HH12  ARG  27          HH12      ARG  27   4.811   3.562   6.159
  178   HH21  ARG  27          HH22      ARG  27   3.549   2.497   9.242
  179   HH22  ARG  27          HH21      ARG  27   4.936   3.104   8.401
  180    H    GLY  28           H        GLY  28  -3.514   0.794   5.416
  181    HA2  GLY  28           HA2      GLY  28  -4.650  -1.079   3.480
  182    HA3  GLY  28           HA3      GLY  28  -5.548  -0.105   4.637
  183    H    ALA  29           H        ALA  29  -3.181   1.668   2.993
  184    HA   ALA  29           HA       ALA  29  -4.905   3.501   1.865
  185    HB1  ALA  29           HB1      ALA  29  -2.738   3.597   0.177
  186    HB2  ALA  29           HB2      ALA  29  -2.883   4.437   1.722
  187    HB3  ALA  29           HB3      ALA  29  -2.069   2.874   1.640
  188    H    CYS  30           H        CYS  30  -3.614   0.535   0.458
  189    HA   CYS  30           HA       CYS  30  -4.361   0.856  -2.184
  190    HB3  CYS  30           HB3      CYS  30  -4.796  -1.780  -1.898
  191    HA   PRO  31           HA       PRO  31  -8.735   0.668  -2.457
  192    HB3  PRO  31           HB3      PRO  31  -8.511   0.677  -4.744
  193    HG3  PRO  31           HG3      PRO  31  -6.812  -0.518  -5.788
  194    HD3  PRO  31           HD3      PRO  31  -5.584   0.613  -4.200
  195    H    ARG  32           H        ARG  32 -10.613  -0.626  -2.135
  196    HA   ARG  32           HA       ARG  32 -10.424  -2.618  -0.243
  197    HB3  ARG  32           HB3      ARG  32 -12.748  -3.051  -0.608
  198    HG3  ARG  32           HG3      ARG  32 -11.862  -0.503  -0.212
  199    HD3  ARG  32           HD3      ARG  32 -12.404  -0.228  -2.744
  200    HE   ARG  32           HE       ARG  32 -14.945  -0.933  -1.940
  201   HH11  ARG  32          HH11      ARG  32 -13.439   1.786  -3.510
  202   HH12  ARG  32          HH12      ARG  32 -14.851   2.207  -4.422
  203   HH21  ARG  32          HH22      ARG  32 -16.810  -0.389  -3.135
  204   HH22  ARG  32          HH21      ARG  32 -16.767   0.970  -4.207
  205    H    GLY  33           H        GLY  33 -10.587  -4.875  -0.271
  206    HA2  GLY  33           HA2      GLY  33 -10.633  -7.004  -1.257
  207    HA3  GLY  33           HA3      GLY  33 -10.483  -6.252  -2.838
  208    H    SER  34           H        SER  34  -8.200  -4.628  -1.474
  209    HA   SER  34           HA       SER  34  -6.155  -6.713  -1.360
  210    HB3  SER  34           HB3      SER  34  -4.770  -5.732  -3.039
  211    HG   SER  34           HG       SER  34  -6.926  -5.343  -4.587
  212    H    ARG  35           H        ARG  35  -3.975  -5.714  -0.789
  213    HA   ARG  35           HA       ARG  35  -4.274  -3.303   0.855
  214    HB3  ARG  35           HB3      ARG  35  -4.552  -5.290   2.311
  215    HG3  ARG  35           HG3      ARG  35  -2.136  -6.167   0.950
  216    HD3  ARG  35           HD3      ARG  35  -1.119  -5.411   3.062
  217    HE   ARG  35           HE       ARG  35  -3.342  -6.185   4.364
  218   HH11  ARG  35          HH11      ARG  35  -0.032  -7.253   4.525
  219   HH12  ARG  35          HH12      ARG  35  -0.120  -7.701   6.197
  220   HH21  ARG  35          HH22      ARG  35  -3.472  -6.770   6.565
  221   HH22  ARG  35          HH21      ARG  35  -2.078  -7.426   7.356
  222    H    CYS  36           H        CYS  36  -2.281  -2.225   1.339
  223    HA   CYS  36           HA       CYS  36  -0.445  -2.267  -0.839
  224    HB3  CYS  36           HB3      CYS  36   0.216  -0.862   1.710
  225    H    CYS  37           H        CYS  37   1.052  -3.780  -1.092
  226    HA   CYS  37           HA       CYS  37   2.356  -4.898   1.299
  227    HB3  CYS  37           HB3      CYS  37   1.085  -6.324  -0.539
  228    H    MET  38           H        MET  38   4.594  -5.053   1.406
  229    HA   MET  38           HA       MET  38   6.012  -3.158  -0.304
  230    HB3  MET  38           HB3      MET  38   7.469  -4.501   1.884
  231    HG3  MET  38           HG3      MET  38   7.454  -1.940   0.555
  232    HE1  MET  38           HE1      MET  38   8.793  -2.904   3.797
  233    HE2  MET  38           HE2      MET  38   9.004  -1.329   4.562
  234    HE3  MET  38           HE3      MET  38   7.597  -2.316   4.952
  235    HA   PRO  39           HA       PRO  39   7.759  -6.446  -2.703
  236    HB3  PRO  39           HB3      PRO  39   7.910  -4.907  -4.403
  237    HG3  PRO  39           HG3      PRO  39   8.289  -2.658  -3.953
  238    HD3  PRO  39           HD3      PRO  39   6.542  -3.061  -2.504
  239    H    THR  40           H        THR  40  10.140  -7.079  -3.323
  240    HA   THR  40           HA       THR  40  11.620  -7.227  -0.798
  241    HB   THR  40           HB       THR  40  11.037  -9.362  -1.897
  242    HG1  THR  40           HG1      THR  40  13.831  -8.781  -1.888
  243   HG21  THR  40          HG21      THR  40  11.282  -9.667  -4.089
  244   HG22  THR  40          HG22      THR  40  13.010  -9.343  -3.973
  245   HG23  THR  40          HG23      THR  40  11.880  -8.014  -4.229
  246    H    VAL  41           H        VAL  41  11.736  -4.825  -2.359
  247    HA   VAL  41           HA       VAL  41  14.072  -4.715  -3.952
  248    HB   VAL  41           HB       VAL  41  13.922  -2.274  -3.698
  249   HG11  VAL  41          HG11      VAL  41  11.389  -2.145  -4.384
  250   HG12  VAL  41          HG12      VAL  41  12.570  -2.937  -5.428
  251   HG13  VAL  41          HG13      VAL  41  11.525  -3.903  -4.387
  252   HG21  VAL  41          HG21      VAL  41  12.856  -1.247  -2.021
  253   HG22  VAL  41          HG22      VAL  41  11.436  -2.280  -2.178
  254   HG23  VAL  41          HG23      VAL  41  12.824  -2.828  -1.239
  255    H    ALA  42           H        ALA  42  15.812  -2.964  -3.253
  256    HA   ALA  42           HA       ALA  42  16.625  -3.363  -0.473
  257    HB1  ALA  42           HB1      ALA  42  18.395  -4.033  -2.822
  258    HB2  ALA  42           HB2      ALA  42  18.893  -4.017  -1.130
  259    HB3  ALA  42           HB3      ALA  42  17.693  -5.183  -1.683
  260    H    ALA  43           H        ALA  43  15.628  -1.032  -1.350
  261    HA   ALA  43           HA       ALA  43  17.451   0.772  -2.507
  262    HB1  ALA  43           HB1      ALA  43  14.868   0.946  -2.013
  263    HB2  ALA  43           HB2      ALA  43  15.436   1.753  -0.552
  264    HB3  ALA  43           HB3      ALA  43  15.875   2.388  -2.136
  265    H    HIS  44           H        HIS  44  17.758   2.935  -0.962
  266    HA   HIS  44           HA       HIS  44  19.703   2.022   1.006
  267    HB3  HIS  44           HB3      HIS  44  19.972   4.706   1.042
  268    HD1  HIS  44           HD1      HIS  44  22.424   4.315   1.226
  269    HD2  HIS  44           HD2      HIS  44  20.836   2.717  -2.265
  270    HE1  HIS  44           HE1      HIS  44  24.401   3.518  -0.109
  Start of MODEL   18
    1    H1   ARG   1           H1       ARG   1  -7.356   9.977  -0.500
    2    HA   ARG   1           HA       ARG   1  -5.970   7.394  -0.195
    3    HB3  ARG   1           HB3      ARG   1  -8.108   7.516   1.031
    4    HG3  ARG   1           HG3      ARG   1  -9.394   7.807  -1.676
    5    HD3  ARG   1           HD3      ARG   1 -10.458   6.401   0.255
    6    HE   ARG   1           HE       ARG   1 -10.246   8.696   1.686
    7   HH11  ARG   1          HH11      ARG   1 -12.934   6.841   0.479
    8   HH12  ARG   1          HH12      ARG   1 -13.995   7.293   1.772
    9   HH21  ARG   1          HH22      ARG   1 -11.634   9.299   3.394
   10   HH22  ARG   1          HH21      ARG   1 -13.254   8.692   3.428
   11    H    ARG   2           H        ARG   2  -5.447   6.300  -1.989
   12    HA   ARG   2           HA       ARG   2  -5.174   5.774  -4.185
   13    HB3  ARG   2           HB3      ARG   2  -7.857   7.037  -4.708
   14    HG3  ARG   2           HG3      ARG   2  -7.143   4.413  -5.827
   15    HD3  ARG   2           HD3      ARG   2  -7.954   6.491  -7.660
   16    HE   ARG   2           HE       ARG   2  -8.660   3.810  -7.142
   17   HH11  ARG   2          HH11      ARG   2  -9.995   6.782  -8.372
   18   HH12  ARG   2          HH12      ARG   2 -11.148   5.992  -9.396
   19   HH21  ARG   2          HH22      ARG   2 -10.175   2.759  -8.485
   20   HH22  ARG   2          HH21      ARG   2 -11.251   3.705  -9.459
   21    H    ARG   3           H        ARG   3  -3.652   7.755  -3.752
   22    HA   ARG   3           HA       ARG   3  -2.577   9.557  -4.628
   23    HB3  ARG   3           HB3      ARG   3  -3.670  10.088  -7.091
   24    HG3  ARG   3           HG3      ARG   3  -1.428   8.494  -6.109
   25    HD3  ARG   3           HD3      ARG   3  -2.560   7.995  -8.860
   26    HE   ARG   3           HE       ARG   3  -0.235   6.515  -8.163
   27   HH11  ARG   3          HH11      ARG   3  -1.310   9.594  -9.379
   28   HH12  ARG   3          HH12      ARG   3   0.158   9.913 -10.242
   29   HH21  ARG   3          HH22      ARG   3   1.702   6.922  -9.294
   30   HH22  ARG   3          HH21      ARG   3   1.871   8.392 -10.194
   31    H    ARG   4           H        ARG   4  -3.302  11.112  -3.207
   32    HA   ARG   4           HA       ARG   4  -4.933  13.178  -4.318
   33    HB3  ARG   4           HB3      ARG   4  -6.276  12.784  -1.889
   34    HG3  ARG   4           HG3      ARG   4  -7.666  11.713  -4.221
   35    HD3  ARG   4           HD3      ARG   4  -8.422  14.295  -3.038
   36    HE   ARG   4           HE       ARG   4  -9.774  12.061  -4.114
   37   HH11  ARG   4          HH11      ARG   4 -10.093  14.528  -1.679
   38   HH12  ARG   4          HH12      ARG   4 -11.824  14.524  -1.715
   39   HH21  ARG   4          HH22      ARG   4 -12.056  12.048  -4.172
   40   HH22  ARG   4          HH21      ARG   4 -12.939  13.112  -3.132
   41    H    ARG   5           H        ARG   5  -4.363  12.134  -0.960
   42    HA   ARG   5           HA       ARG   5  -3.076  14.718  -0.451
   43    HB3  ARG   5           HB3      ARG   5  -3.300  13.864   1.992
   44    HG3  ARG   5           HG3      ARG   5  -5.684  14.502   2.131
   45    HD3  ARG   5           HD3      ARG   5  -3.508  16.069   1.282
   46    HE   ARG   5           HE       ARG   5  -4.322  16.950  -0.667
   47   HH11  ARG   5          HH11      ARG   5  -6.915  16.695   1.641
   48   HH12  ARG   5          HH12      ARG   5  -8.046  17.571   0.664
   49   HH21  ARG   5          HH22      ARG   5  -5.802  18.105  -1.963
   50   HH22  ARG   5          HH21      ARG   5  -7.412  18.372  -1.387
   51    H    ARG   6           H        ARG   6  -1.705  12.577  -1.859
   52    HA   ARG   6           HA       ARG   6   0.323  11.546  -1.914
   53    HB3  ARG   6           HB3      ARG   6   2.121  12.534  -0.623
   54    HG3  ARG   6           HG3      ARG   6   0.302  14.848  -1.168
   55    HD3  ARG   6           HD3      ARG   6   3.131  14.625  -2.054
   56    HE   ARG   6           HE       ARG   6   1.394  16.698  -2.042
   57   HH11  ARG   6          HH11      ARG   6   4.400  16.081  -0.398
   58   HH12  ARG   6          HH12      ARG   6   4.852  17.753  -0.323
   59   HH21  ARG   6          HH22      ARG   6   1.978  18.901  -1.949
   60   HH22  ARG   6          HH21      ARG   6   3.474  19.356  -1.205
   61    HA   PRO   7           HA       PRO   7  -0.986   8.758   1.577
   62    HB3  PRO   7           HB3      PRO   7  -2.642   7.794   0.308
   63    HG3  PRO   7           HG3      PRO   7  -2.564   7.859  -2.015
   64    HD3  PRO   7           HD3      PRO   7  -2.202  10.087  -1.542
   65    HA   PRO   8           HA       PRO   8   2.853   6.663   2.024
   66    HB3  PRO   8           HB3      PRO   8   2.051   5.762   3.979
   67    HG3  PRO   8           HG3      PRO   8  -0.156   5.052   4.155
   68    HD3  PRO   8           HD3      PRO   8  -0.486   7.158   3.278
   69    H    CYS   9           H        CYS   9   0.418   4.410   0.707
   70    HA   CYS   9           HA       CYS   9   2.153   2.629  -0.523
   71    HB3  CYS   9           HB3      CYS   9  -0.331   3.197  -2.011
   72    H    GLU  10           H        GLU  10   1.202   5.821  -1.478
   73    HA   GLU  10           HA       GLU  10   2.078   5.552  -4.208
   74    HB3  GLU  10           HB3      GLU  10   1.377   7.999  -2.578
   75    HG3  GLU  10           HG3      GLU  10   0.880   8.593  -5.209
   76    H    ASP  11           H        ASP  11   3.253   7.410  -1.401
   77    HA   ASP  11           HA       ASP  11   5.580   8.411  -2.485
   78    HB3  ASP  11           HB3      ASP  11   6.220   7.713   0.170
   79    H    VAL  12           H        VAL  12   5.146   5.309  -0.797
   80    HA   VAL  12           HA       VAL  12   7.855   4.493  -1.414
   81    HB   VAL  12           HB       VAL  12   7.394   2.490  -0.184
   82   HG11  VAL  12          HG11      VAL  12   6.183   4.937   1.089
   83   HG12  VAL  12          HG12      VAL  12   6.532   3.449   1.970
   84   HG13  VAL  12          HG13      VAL  12   7.844   4.359   1.222
   85   HG21  VAL  12          HG21      VAL  12   5.380   1.569  -0.531
   86   HG22  VAL  12          HG22      VAL  12   4.839   2.599   0.793
   87   HG23  VAL  12          HG23      VAL  12   4.625   3.124  -0.877
   88    H    ASN  13           H        ASN  13   4.827   4.360  -2.934
   89    HA   ASN  13           HA       ASN  13   4.000   3.247  -4.742
   90    HB3  ASN  13           HB3      ASN  13   5.452   3.090  -6.600
   91   HD21  ASN  13          HD22      ASN  13   7.803   4.567  -4.511
   92   HD22  ASN  13          HD21      ASN  13   7.496   6.199  -4.983
   93    H    GLY  14           H        GLY  14   3.378   1.507  -3.217
   94    HA2  GLY  14           HA2      GLY  14   4.999  -0.929  -3.495
   95    HA3  GLY  14           HA3      GLY  14   3.737  -0.669  -2.299
   96    H    GLN  15           H        GLN  15   3.229  -2.908  -3.178
   97    HA   GLN  15           HA       GLN  15   1.541  -2.692  -5.581
   98    HB3  GLN  15           HB3      GLN  15   1.883  -5.017  -5.974
   99    HG3  GLN  15           HG3      GLN  15   4.597  -4.236  -4.997
  100   HE21  GLN  15          HE22      GLN  15   5.121  -6.429  -5.121
  101   HE22  GLN  15          HE21      GLN  15   5.276  -7.242  -6.638
  102    H    CYS  16           H        CYS  16  -0.588  -3.073  -5.432
  103    HA   CYS  16           HA       CYS  16  -1.737  -3.430  -2.809
  104    HB3  CYS  16           HB3      CYS  16  -3.915  -3.217  -4.074
  105    H    GLN  17           H        GLN  17  -1.190  -5.541  -2.230
  106    HA   GLN  17           HA       GLN  17  -2.512  -7.653  -3.804
  107    HB3  GLN  17           HB3      GLN  17  -0.758  -9.059  -3.478
  108    HG3  GLN  17           HG3      GLN  17   0.863  -6.674  -2.685
  109   HE21  GLN  17          HE22      GLN  17   1.777  -7.393  -5.623
  110   HE22  GLN  17          HE21      GLN  17   2.940  -8.638  -5.335
  111    HA   PRO  18           HA       PRO  18  -5.047  -8.718  -0.388
  112    HB3  PRO  18           HB3      PRO  18  -5.924 -10.400  -1.684
  113    HG3  PRO  18           HG3      PRO  18  -4.576 -11.636  -3.119
  114    HD3  PRO  18           HD3      PRO  18  -3.953  -9.502  -3.728
  115    H    ARG  19           H        ARG  19  -5.092 -10.682   1.393
  116    HA   ARG  19           HA       ARG  19  -2.591 -10.313   2.870
  117    HB3  ARG  19           HB3      ARG  19  -4.321  -9.653   4.261
  118    HG3  ARG  19           HG3      ARG  19  -6.215 -10.307   2.895
  119    HD3  ARG  19           HD3      ARG  19  -5.611 -13.081   3.907
  120    HE   ARG  19           HE       ARG  19  -8.126 -12.167   3.465
  121   HH11  ARG  19          HH11      ARG  19  -6.056 -14.438   1.827
  122   HH12  ARG  19          HH12      ARG  19  -7.366 -15.411   1.244
  123   HH21  ARG  19          HH22      ARG  19  -9.858 -13.441   2.704
  124   HH22  ARG  19          HH21      ARG  19  -9.529 -14.841   1.742
  125    H    GLY  20           H        GLY  20  -2.366 -12.119   0.815
  126    HA2  GLY  20           HA2      GLY  20  -1.897 -14.587   2.321
  127    HA3  GLY  20           HA3      GLY  20  -2.886 -14.694   0.871
  128    H    ASN  21           H        ASN  21  -0.065 -12.627   1.351
  129    HA   ASN  21           HA       ASN  21   1.412 -14.282  -0.582
  130    HB3  ASN  21           HB3      ASN  21   1.099 -12.609  -2.065
  131   HD21  ASN  21          HD22      ASN  21  -0.765 -11.620  -2.344
  132   HD22  ASN  21          HD21      ASN  21  -1.372 -10.315  -1.389
  133    HA   PRO  22           HA       PRO  22   4.750 -14.073   2.267
  134    HB3  PRO  22           HB3      PRO  22   5.757 -15.703   0.998
  135    HG3  PRO  22           HG3      PRO  22   5.536 -15.727  -1.316
  136    HD3  PRO  22           HD3      PRO  22   3.323 -15.511  -0.710
  137    H    CYS  23           H        CYS  23   4.226 -11.719  -0.108
  138    HA   CYS  23           HA       CYS  23   6.526 -10.134   0.074
  139    HB3  CYS  23           HB3      CYS  23   4.558  -9.920  -1.551
  140    H    LEU  24           H        LEU  24   5.843  -7.634   0.883
  141    HA   LEU  24           HA       LEU  24   5.579  -7.985   3.786
  142    HB3  LEU  24           HB3      LEU  24   6.788  -5.745   2.172
  143    HG   LEU  24           HG       LEU  24   5.941  -4.856   4.309
  144   HD11  LEU  24          HD11      LEU  24   6.153  -7.084   5.496
  145   HD12  LEU  24          HD12      LEU  24   6.660  -5.659   6.401
  146   HD13  LEU  24          HD13      LEU  24   7.869  -6.715   5.672
  147   HD21  LEU  24          HD21      LEU  24   8.269  -4.163   5.186
  148   HD22  LEU  24          HD22      LEU  24   7.804  -3.702   3.549
  149   HD23  LEU  24          HD23      LEU  24   8.885  -5.072   3.806
  150    H    ARG  25           H        ARG  25   4.397  -6.386   5.008
  151    HA   ARG  25           HA       ARG  25   2.113  -5.329   3.488
  152    HB3  ARG  25           HB3      ARG  25   1.471  -5.178   6.189
  153    HG3  ARG  25           HG3      ARG  25   0.175  -6.100   4.125
  154    HD3  ARG  25           HD3      ARG  25   1.827  -8.089   4.051
  155    HE   ARG  25           HE       ARG  25   0.666  -8.646   6.550
  156   HH11  ARG  25          HH11      ARG  25   1.488 -10.219   3.556
  157   HH12  ARG  25          HH12      ARG  25   1.714 -11.775   4.283
  158   HH21  ARG  25          HH22      ARG  25   0.962 -10.689   7.521
  159   HH22  ARG  25          HH21      ARG  25   1.414 -12.041   6.540
  160    H    LEU  26           H        LEU  26   1.322  -3.236   3.925
  161    HA   LEU  26           HA       LEU  26   3.220  -1.463   5.316
  162    HB3  LEU  26           HB3      LEU  26   2.342   0.275   3.612
  163    HG   LEU  26           HG       LEU  26   4.492  -1.657   3.271
  164   HD11  LEU  26          HD11      LEU  26   3.062  -1.883   1.137
  165   HD12  LEU  26          HD12      LEU  26   4.791  -1.591   0.971
  166   HD13  LEU  26          HD13      LEU  26   3.651  -0.265   0.758
  167   HD21  LEU  26          HD21      LEU  26   4.912   0.558   4.072
  168   HD22  LEU  26          HD22      LEU  26   4.121   1.273   2.668
  169   HD23  LEU  26          HD23      LEU  26   5.644   0.406   2.473
  170    H    ARG  27           H        ARG  27   0.077  -0.856   3.786
  171    HA   ARG  27           HA       ARG  27  -1.287  -0.633   6.307
  172    HB3  ARG  27           HB3      ARG  27  -1.925   1.835   5.636
  173    HG3  ARG  27           HG3      ARG  27  -0.265   0.798   7.556
  174    HD3  ARG  27           HD3      ARG  27   1.201   3.137   6.387
  175    HE   ARG  27           HE       ARG  27   2.608   1.211   7.971
  176   HH11  ARG  27          HH11      ARG  27   0.546   4.012   8.080
  177   HH12  ARG  27          HH12      ARG  27   1.084   4.511   9.649
  178   HH21  ARG  27          HH22      ARG  27   3.326   1.855  10.038
  179   HH22  ARG  27          HH21      ARG  27   2.666   3.283  10.762
  180    H    GLY  28           H        GLY  28  -3.500   0.710   5.717
  181    HA2  GLY  28           HA2      GLY  28  -4.671  -0.910   3.590
  182    HA3  GLY  28           HA3      GLY  28  -5.551   0.011   4.801
  183    H    ALA  29           H        ALA  29  -2.997   1.068   2.577
  184    HA   ALA  29           HA       ALA  29  -4.735   3.244   1.701
  185    HB1  ALA  29           HB1      ALA  29  -2.452   3.792   0.447
  186    HB2  ALA  29           HB2      ALA  29  -2.732   4.219   2.135
  187    HB3  ALA  29           HB3      ALA  29  -1.812   2.769   1.733
  188    H    CYS  30           H        CYS  30  -5.268   0.533   0.812
  189    HA   CYS  30           HA       CYS  30  -4.908   0.931  -2.084
  190    HB3  CYS  30           HB3      CYS  30  -5.150  -1.738  -1.986
  191    HA   PRO  31           HA       PRO  31  -9.237   0.439  -2.602
  192    HB3  PRO  31           HB3      PRO  31  -8.901   0.590  -4.870
  193    HG3  PRO  31           HG3      PRO  31  -7.069  -0.421  -5.882
  194    HD3  PRO  31           HD3      PRO  31  -6.008   0.708  -4.175
  195    H    ARG  32           H        ARG  32 -11.018  -0.979  -2.384
  196    HA   ARG  32           HA       ARG  32 -10.775  -3.059  -0.611
  197    HB3  ARG  32           HB3      ARG  32 -12.918  -2.060  -1.016
  198    HG3  ARG  32           HG3      ARG  32 -14.052  -3.059  -3.247
  199    HD3  ARG  32           HD3      ARG  32 -12.830  -0.616  -4.016
  200    HE   ARG  32           HE       ARG  32 -15.472  -1.505  -3.399
  201   HH11  ARG  32          HH11      ARG  32 -13.502   1.318  -3.915
  202   HH12  ARG  32          HH12      ARG  32 -14.829   2.313  -4.420
  203   HH21  ARG  32          HH22      ARG  32 -17.228  -0.207  -4.060
  204   HH22  ARG  32          HH21      ARG  32 -16.948   1.444  -4.501
  205    H    GLY  33           H        GLY  33 -10.624  -5.281  -0.727
  206    HA2  GLY  33           HA2      GLY  33 -10.524  -7.369  -1.838
  207    HA3  GLY  33           HA3      GLY  33 -10.329  -6.519  -3.364
  208    H    SER  34           H        SER  34  -8.267  -4.829  -1.722
  209    HA   SER  34           HA       SER  34  -6.092  -6.742  -1.487
  210    HB3  SER  34           HB3      SER  34  -5.854  -6.317  -3.806
  211    HG   SER  34           HG       SER  34  -7.250  -4.348  -3.650
  212    H    ARG  35           H        ARG  35  -4.043  -5.618  -0.783
  213    HA   ARG  35           HA       ARG  35  -4.586  -3.135   0.685
  214    HB3  ARG  35           HB3      ARG  35  -4.867  -5.032   2.239
  215    HG3  ARG  35           HG3      ARG  35  -2.059  -5.677   1.412
  216    HD3  ARG  35           HD3      ARG  35  -1.986  -5.528   3.816
  217    HE   ARG  35           HE       ARG  35  -4.600  -6.141   3.931
  218   HH11  ARG  35          HH11      ARG  35  -1.765  -7.708   5.209
  219   HH12  ARG  35          HH12      ARG  35  -2.591  -8.372   6.580
  220   HH21  ARG  35          HH22      ARG  35  -5.697  -7.010   5.732
  221   HH22  ARG  35          HH21      ARG  35  -4.828  -7.976   6.875
  222    H    CYS  36           H        CYS  36  -2.640  -1.987   1.347
  223    HA   CYS  36           HA       CYS  36  -0.714  -1.889  -0.728
  224    HB3  CYS  36           HB3      CYS  36  -0.550  -0.624   2.014
  225    H    CYS  37           H        CYS  37   0.746  -3.441  -1.023
  226    HA   CYS  37           HA       CYS  37   2.181  -4.465   1.341
  227    HB3  CYS  37           HB3      CYS  37   0.880  -5.860  -0.867
  228    H    MET  38           H        MET  38   4.368  -4.429   1.318
  229    HA   MET  38           HA       MET  38   5.653  -2.860  -0.722
  230    HB3  MET  38           HB3      MET  38   7.493  -4.143   1.099
  231    HG3  MET  38           HG3      MET  38   7.108  -1.465   1.839
  232    HE1  MET  38           HE1      MET  38   8.785  -1.679   3.095
  233    HE2  MET  38           HE2      MET  38  10.318  -2.507   2.814
  234    HE3  MET  38           HE3      MET  38  10.170  -0.784   2.468
  235    HA   PRO  39           HA       PRO  39   7.036  -6.150  -3.301
  236    HB3  PRO  39           HB3      PRO  39   7.493  -4.531  -4.864
  237    HG3  PRO  39           HG3      PRO  39   8.260  -2.430  -4.228
  238    HD3  PRO  39           HD3      PRO  39   6.443  -2.629  -2.826
  239    H    THR  40           H        THR  40   9.275  -7.151  -3.959
  240    HA   THR  40           HA       THR  40  10.606  -7.846  -1.455
  241    HB   THR  40           HB       THR  40  11.768  -9.509  -3.202
  242    HG1  THR  40           HG1      THR  40  10.796  -9.423  -5.072
  243   HG21  THR  40          HG21      THR  40   9.843  -9.709  -1.241
  244   HG22  THR  40          HG22      THR  40  10.610 -11.060  -2.073
  245   HG23  THR  40          HG23      THR  40   9.062 -10.437  -2.644
  246    H    VAL  41           H        VAL  41  11.670  -5.692  -1.449
  247    HA   VAL  41           HA       VAL  41  14.217  -5.852  -2.899
  248    HB   VAL  41           HB       VAL  41  14.212  -3.484  -3.392
  249   HG11  VAL  41          HG11      VAL  41  13.067  -3.748  -5.300
  250   HG12  VAL  41          HG12      VAL  41  12.713  -5.366  -4.690
  251   HG13  VAL  41          HG13      VAL  41  11.551  -4.060  -4.457
  252   HG21  VAL  41          HG21      VAL  41  12.973  -2.074  -2.205
  253   HG22  VAL  41          HG22      VAL  41  11.521  -2.733  -2.959
  254   HG23  VAL  41          HG23      VAL  41  12.122  -3.421  -1.450
  255    H    ALA  42           H        ALA  42  15.540  -3.737  -1.979
  256    HA   ALA  42           HA       ALA  42  15.634  -4.218   0.916
  257    HB1  ALA  42           HB1      ALA  42  17.823  -2.767  -0.459
  258    HB2  ALA  42           HB2      ALA  42  17.891  -3.945   0.853
  259    HB3  ALA  42           HB3      ALA  42  17.636  -4.485  -0.807
  260    H    ALA  43           H        ALA  43  15.268  -1.718  -1.494
  261    HA   ALA  43           HA       ALA  43  14.472   0.415  -1.326
  262    HB1  ALA  43           HB1      ALA  43  14.216   0.124   1.645
  263    HB2  ALA  43           HB2      ALA  43  13.245   1.087   0.532
  264    HB3  ALA  43           HB3      ALA  43  13.083  -0.670   0.549
  265    H    HIS  44           H        HIS  44  16.131   0.013   1.803
  266    HA   HIS  44           HA       HIS  44  18.369   1.613   0.895
  267    HB3  HIS  44           HB3      HIS  44  17.116   2.638   3.389
  268    HD1  HIS  44           HD1      HIS  44  19.370   3.744   3.893
  269    HD2  HIS  44           HD2      HIS  44  17.803   4.765   0.183
  270    HE1  HIS  44           HE1      HIS  44  20.765   5.672   3.081
  Start of MODEL   19
    1    H1   ARG   1           H1       ARG   1  -9.368   9.577   3.377
    2    HA   ARG   1           HA       ARG   1  -9.889  10.907   0.815
    3    HB3  ARG   1           HB3      ARG   1  -9.434  12.435   2.620
    4    HG3  ARG   1           HG3      ARG   1  -7.206  10.592   3.225
    5    HD3  ARG   1           HD3      ARG   1  -7.003  13.507   3.931
    6    HE   ARG   1           HE       ARG   1  -5.389  12.588   5.250
    7   HH11  ARG   1          HH11      ARG   1  -5.435  10.887   2.212
    8   HH12  ARG   1          HH12      ARG   1  -4.049   9.917   2.586
    9   HH21  ARG   1          HH22      ARG   1  -3.563  11.316   5.753
   10   HH22  ARG   1          HH21      ARG   1  -2.986  10.160   4.600
   11    H    ARG   2           H        ARG   2  -9.118   8.215   0.718
   12    HA   ARG   2           HA       ARG   2  -6.355   7.809   0.406
   13    HB3  ARG   2           HB3      ARG   2  -7.073   5.836  -1.000
   14    HG3  ARG   2           HG3      ARG   2  -7.337   6.186   1.738
   15    HD3  ARG   2           HD3      ARG   2  -9.915   5.995   0.785
   16    HE   ARG   2           HE       ARG   2 -10.177   3.748   0.390
   17   HH11  ARG   2          HH11      ARG   2  -8.380   4.210   3.335
   18   HH12  ARG   2          HH12      ARG   2  -8.456   2.543   3.797
   19   HH21  ARG   2          HH22      ARG   2 -10.283   1.549   0.986
   20   HH22  ARG   2          HH21      ARG   2  -9.538   1.030   2.460
   21    H    ARG   3           H        ARG   3  -4.983   8.462  -1.110
   22    HA   ARG   3           HA       ARG   3  -4.132   9.309  -3.042
   23    HB3  ARG   3           HB3      ARG   3  -5.966   8.884  -5.046
   24    HG3  ARG   3           HG3      ARG   3  -4.389   6.527  -4.185
   25    HD3  ARG   3           HD3      ARG   3  -5.295   7.821  -6.655
   26    HE   ARG   3           HE       ARG   3  -2.508   7.268  -6.415
   27   HH11  ARG   3          HH11      ARG   3  -5.230   7.071  -8.576
   28   HH12  ARG   3          HH12      ARG   3  -4.261   7.134 -10.011
   29   HH21  ARG   3          HH22      ARG   3  -1.223   7.351  -8.297
   30   HH22  ARG   3          HH21      ARG   3  -1.982   7.292  -9.850
   31    H    ARG   4           H        ARG   4  -4.167  11.471  -2.578
   32    HA   ARG   4           HA       ARG   4  -5.781  13.150  -4.150
   33    HB3  ARG   4           HB3      ARG   4  -6.527  13.987  -1.499
   34    HG3  ARG   4           HG3      ARG   4  -7.842  13.467  -4.078
   35    HD3  ARG   4           HD3      ARG   4  -9.069  12.689  -1.562
   36    HE   ARG   4           HE       ARG   4 -10.200  15.006  -2.847
   37   HH11  ARG   4          HH11      ARG   4 -10.847  12.155  -0.957
   38   HH12  ARG   4          HH12      ARG   4 -12.326  12.770  -0.296
   39   HH21  ARG   4          HH22      ARG   4 -12.144  15.826  -1.984
   40   HH22  ARG   4          HH21      ARG   4 -13.064  14.858  -0.882
   41    H    ARG   5           H        ARG   5  -3.953  12.911  -1.126
   42    HA   ARG   5           HA       ARG   5  -2.689  15.495  -1.753
   43    HB3  ARG   5           HB3      ARG   5  -1.953  15.343   0.705
   44    HG3  ARG   5           HG3      ARG   5  -4.924  15.459   0.590
   45    HD3  ARG   5           HD3      ARG   5  -3.276  17.686   1.584
   46    HE   ARG   5           HE       ARG   5  -5.789  16.481   2.274
   47   HH11  ARG   5          HH11      ARG   5  -3.213  18.546   3.378
   48   HH12  ARG   5          HH12      ARG   5  -4.201  19.380   4.532
   49   HH21  ARG   5          HH22      ARG   5  -7.099  17.570   3.789
   50   HH22  ARG   5          HH21      ARG   5  -6.411  18.824   4.765
   51    H    ARG   6           H        ARG   6  -1.683  12.666   0.162
   52    HA   ARG   6           HA       ARG   6   0.373  11.856  -1.599
   53    HB3  ARG   6           HB3      ARG   6   1.517  13.155   0.844
   54    HG3  ARG   6           HG3      ARG   6   2.563  11.883  -1.503
   55    HD3  ARG   6           HD3      ARG   6   4.422  13.666  -1.720
   56    HE   ARG   6           HE       ARG   6   2.222  13.251  -3.288
   57   HH11  ARG   6          HH11      ARG   6   4.165  16.010  -2.437
   58   HH12  ARG   6          HH12      ARG   6   3.892  16.830  -3.939
   59   HH21  ARG   6          HH22      ARG   6   1.853  14.318  -5.269
   60   HH22  ARG   6          HH21      ARG   6   2.575  15.867  -5.549
   61    HA   PRO   7           HA       PRO   7  -0.918   8.948   1.795
   62    HB3  PRO   7           HB3      PRO   7  -2.702   8.177   0.569
   63    HG3  PRO   7           HG3      PRO   7  -2.746   8.384  -1.747
   64    HD3  PRO   7           HD3      PRO   7  -2.204  10.548  -1.165
   65    HA   PRO   8           HA       PRO   8   2.783   6.576   1.893
   66    HB3  PRO   8           HB3      PRO   8   2.024   5.606   3.833
   67    HG3  PRO   8           HG3      PRO   8  -0.214   5.034   4.090
   68    HD3  PRO   8           HD3      PRO   8  -0.444   7.209   3.363
   69    H    CYS   9           H        CYS   9   0.125   4.591   0.574
   70    HA   CYS   9           HA       CYS   9   1.679   2.786  -0.862
   71    HB3  CYS   9           HB3      CYS   9  -0.818   3.522  -2.207
   72    H    GLU  10           H        GLU  10   0.942   6.092  -1.518
   73    HA   GLU  10           HA       GLU  10   1.585   5.958  -4.327
   74    HB3  GLU  10           HB3      GLU  10   1.143   8.297  -2.467
   75    HG3  GLU  10           HG3      GLU  10   2.208   8.275  -5.138
   76    H    ASP  11           H        ASP  11   3.079   7.579  -1.522
   77    HA   ASP  11           HA       ASP  11   5.414   8.420  -2.741
   78    HB3  ASP  11           HB3      ASP  11   6.175   7.672  -0.150
   79    H    VAL  12           H        VAL  12   5.074   5.467  -0.763
   80    HA   VAL  12           HA       VAL  12   7.582   4.411  -1.592
   81    HB   VAL  12           HB       VAL  12   6.978   2.406  -0.407
   82   HG11  VAL  12          HG11      VAL  12   6.078   4.940   0.941
   83   HG12  VAL  12          HG12      VAL  12   6.242   3.404   1.792
   84   HG13  VAL  12          HG13      VAL  12   7.652   4.153   1.042
   85   HG21  VAL  12          HG21      VAL  12   4.411   2.897   0.608
   86   HG22  VAL  12          HG22      VAL  12   4.310   3.191  -1.128
   87   HG23  VAL  12          HG23      VAL  12   4.895   1.638  -0.528
   88    H    ASN  13           H        ASN  13   4.616   4.622  -3.145
   89    HA   ASN  13           HA       ASN  13   3.615   3.488  -4.875
   90    HB3  ASN  13           HB3      ASN  13   5.303   4.755  -6.052
   91   HD21  ASN  13          HD22      ASN  13   7.147   5.280  -4.893
   92   HD22  ASN  13          HD21      ASN  13   8.600   4.355  -5.004
   93    H    GLY  14           H        GLY  14   3.560   1.702  -2.995
   94    HA2  GLY  14           HA2      GLY  14   5.061  -0.683  -3.689
   95    HA3  GLY  14           HA3      GLY  14   3.910  -0.518  -2.372
   96    H    GLN  15           H        GLN  15   3.389  -2.735  -3.287
   97    HA   GLN  15           HA       GLN  15   1.623  -2.567  -5.622
   98    HB3  GLN  15           HB3      GLN  15   1.712  -5.223  -4.920
   99    HG3  GLN  15           HG3      GLN  15   3.823  -5.146  -6.574
  100   HE21  GLN  15          HE22      GLN  15   1.763  -3.527  -8.516
  101   HE22  GLN  15          HE21      GLN  15   0.744  -4.827  -9.023
  102    H    CYS  16           H        CYS  16  -0.356  -4.029  -5.487
  103    HA   CYS  16           HA       CYS  16  -1.594  -3.774  -2.824
  104    HB3  CYS  16           HB3      CYS  16  -3.756  -3.399  -4.031
  105    H    GLN  17           H        GLN  17  -2.209  -5.641  -1.974
  106    HA   GLN  17           HA       GLN  17  -3.561  -7.660  -3.447
  107    HB3  GLN  17           HB3      GLN  17  -1.651  -8.567  -4.305
  108    HG3  GLN  17           HG3      GLN  17  -0.107  -7.707  -1.868
  109   HE21  GLN  17          HE22      GLN  17   1.385  -7.457  -4.851
  110   HE22  GLN  17          HE21      GLN  17   2.364  -8.877  -4.774
  111    HA   PRO  18           HA       PRO  18  -4.938  -8.813   0.554
  112    HB3  PRO  18           HB3      PRO  18  -6.351 -10.313  -0.463
  113    HG3  PRO  18           HG3      PRO  18  -5.671 -11.533  -2.321
  114    HD3  PRO  18           HD3      PRO  18  -5.068  -9.412  -2.996
  115    H    ARG  19           H        ARG  19  -4.596 -10.787   2.217
  116    HA   ARG  19           HA       ARG  19  -1.805 -10.633   2.942
  117    HB3  ARG  19           HB3      ARG  19  -3.563 -10.370   4.642
  118    HG3  ARG  19           HG3      ARG  19  -4.266 -13.007   5.238
  119    HD3  ARG  19           HD3      ARG  19  -5.898 -10.797   3.994
  120    HE   ARG  19           HE       ARG  19  -7.547 -12.361   4.156
  121   HH11  ARG  19          HH11      ARG  19  -5.386 -12.740   6.860
  122   HH12  ARG  19          HH12      ARG  19  -6.355 -13.954   7.629
  123   HH21  ARG  19          HH22      ARG  19  -8.829 -13.960   5.160
  124   HH22  ARG  19          HH21      ARG  19  -8.311 -14.647   6.662
  125    H    GLY  20           H        GLY  20  -3.545 -12.632   0.968
  126    HA2  GLY  20           HA2      GLY  20  -2.283 -15.131   1.721
  127    HA3  GLY  20           HA3      GLY  20  -3.360 -14.872   0.356
  128    H    ASN  21           H        ASN  21  -0.234 -13.453   1.313
  129    HA   ASN  21           HA       ASN  21   1.159 -14.697  -0.855
  130    HB3  ASN  21           HB3      ASN  21   0.373 -13.150  -2.362
  131   HD21  ASN  21          HD22      ASN  21  -1.549 -12.213  -2.240
  132   HD22  ASN  21          HD21      ASN  21  -1.914 -10.787  -1.336
  133    HA   PRO  22           HA       PRO  22   4.628 -13.834   1.691
  134    HB3  PRO  22           HB3      PRO  22   5.865 -15.142   0.266
  135    HG3  PRO  22           HG3      PRO  22   5.496 -15.098  -2.030
  136    HD3  PRO  22           HD3      PRO  22   3.335 -15.396  -1.285
  137    H    CYS  23           H        CYS  23   3.686 -11.572  -0.746
  138    HA   CYS  23           HA       CYS  23   5.533  -9.541  -0.503
  139    HB3  CYS  23           HB3      CYS  23   2.669  -8.743  -0.587
  140    H    LEU  24           H        LEU  24   6.037  -8.037   0.984
  141    HA   LEU  24           HA       LEU  24   5.297  -8.349   3.661
  142    HB3  LEU  24           HB3      LEU  24   6.141  -5.647   2.965
  143    HG   LEU  24           HG       LEU  24   6.523  -6.971   5.188
  144   HD11  LEU  24          HD11      LEU  24   7.699  -8.835   4.014
  145   HD12  LEU  24          HD12      LEU  24   8.609  -8.117   5.343
  146   HD13  LEU  24          HD13      LEU  24   9.018  -7.715   3.677
  147   HD21  LEU  24          HD21      LEU  24   7.376  -4.906   5.410
  148   HD22  LEU  24          HD22      LEU  24   8.095  -4.917   3.800
  149   HD23  LEU  24          HD23      LEU  24   8.925  -5.708   5.140
  150    H    ARG  25           H        ARG  25   4.610  -6.086   4.838
  151    HA   ARG  25           HA       ARG  25   2.027  -5.342   3.627
  152    HB3  ARG  25           HB3      ARG  25   1.769  -6.797   5.608
  153    HG3  ARG  25           HG3      ARG  25   2.163  -5.564   7.845
  154    HD3  ARG  25           HD3      ARG  25   4.805  -6.308   7.290
  155    HE   ARG  25           HE       ARG  25   2.868  -7.201   8.975
  156   HH11  ARG  25          HH11      ARG  25   5.133  -8.751   6.832
  157   HH12  ARG  25          HH12      ARG  25   5.266 -10.184   7.797
  158   HH21  ARG  25          HH22      ARG  25   3.033  -9.082  10.254
  159   HH22  ARG  25          HH21      ARG  25   4.070 -10.372   9.743
  160    H    LEU  26           H        LEU  26   1.243  -3.212   4.093
  161    HA   LEU  26           HA       LEU  26   3.255  -1.318   5.079
  162    HB3  LEU  26           HB3      LEU  26   2.146   0.148   3.117
  163    HG   LEU  26           HG       LEU  26   4.639  -1.411   3.205
  164   HD11  LEU  26          HD11      LEU  26   4.700  -2.001   1.068
  165   HD12  LEU  26          HD12      LEU  26   4.674  -0.288   0.649
  166   HD13  LEU  26          HD13      LEU  26   3.164  -1.195   0.744
  167   HD21  LEU  26          HD21      LEU  26   5.450   0.846   2.320
  168   HD22  LEU  26          HD22      LEU  26   4.773   0.803   3.948
  169   HD23  LEU  26          HD23      LEU  26   3.803   1.408   2.606
  170    H    ARG  27           H        ARG  27   0.079  -0.913   3.537
  171    HA   ARG  27           HA       ARG  27  -1.218  -0.312   6.031
  172    HB3  ARG  27           HB3      ARG  27  -1.886   2.026   5.007
  173    HG3  ARG  27           HG3      ARG  27  -0.176   1.295   7.021
  174    HD3  ARG  27           HD3      ARG  27   1.258   3.441   5.508
  175    HE   ARG  27           HE       ARG  27   2.696   1.692   7.272
  176   HH11  ARG  27          HH11      ARG  27   0.708   4.542   7.078
  177   HH12  ARG  27          HH12      ARG  27   1.315   5.226   8.550
  178   HH21  ARG  27          HH22      ARG  27   3.506   2.581   9.211
  179   HH22  ARG  27          HH21      ARG  27   2.908   4.110   9.761
  180    H    GLY  28           H        GLY  28  -3.467   0.866   5.353
  181    HA2  GLY  28           HA2      GLY  28  -4.634  -0.990   3.409
  182    HA3  GLY  28           HA3      GLY  28  -5.517  -0.065   4.615
  183    H    ALA  29           H        ALA  29  -3.136   1.633   2.819
  184    HA   ALA  29           HA       ALA  29  -4.956   3.515   1.813
  185    HB1  ALA  29           HB1      ALA  29  -2.084   2.991   1.570
  186    HB2  ALA  29           HB2      ALA  29  -2.797   3.824   0.187
  187    HB3  ALA  29           HB3      ALA  29  -2.948   4.511   1.804
  188    H    CYS  30           H        CYS  30  -3.867   0.475   0.560
  189    HA   CYS  30           HA       CYS  30  -4.438   0.881  -2.173
  190    HB3  CYS  30           HB3      CYS  30  -4.834  -1.771  -1.911
  191    HA   PRO  31           HA       PRO  31  -8.802   0.613  -2.521
  192    HB3  PRO  31           HB3      PRO  31  -8.541   0.650  -4.804
  193    HG3  PRO  31           HG3      PRO  31  -6.803  -0.502  -5.831
  194    HD3  PRO  31           HD3      PRO  31  -5.622   0.635  -4.212
  195    H    ARG  32           H        ARG  32 -10.665  -0.728  -2.265
  196    HA   ARG  32           HA       ARG  32 -10.474  -2.731  -0.382
  197    HB3  ARG  32           HB3      ARG  32 -12.779  -3.211  -0.803
  198    HG3  ARG  32           HG3      ARG  32 -11.957  -0.650  -0.359
  199    HD3  ARG  32           HD3      ARG  32 -12.453  -0.365  -2.905
  200    HE   ARG  32           HE       ARG  32 -15.046  -1.014  -2.044
  201   HH11  ARG  32          HH11      ARG  32 -13.371   1.356  -3.967
  202   HH12  ARG  32          HH12      ARG  32 -14.729   1.671  -4.996
  203   HH21  ARG  32          HH22      ARG  32 -16.840  -0.609  -3.392
  204   HH22  ARG  32          HH21      ARG  32 -16.702   0.554  -4.667
  205    H    GLY  33           H        GLY  33 -10.598  -4.992  -0.433
  206    HA2  GLY  33           HA2      GLY  33 -10.598  -7.111  -1.456
  207    HA3  GLY  33           HA3      GLY  33 -10.374  -6.331  -3.016
  208    H    SER  34           H        SER  34  -8.167  -4.692  -1.644
  209    HA   SER  34           HA       SER  34  -6.117  -6.745  -1.325
  210    HB3  SER  34           HB3      SER  34  -5.102  -6.394  -3.293
  211    HG   SER  34           HG       SER  34  -7.209  -4.566  -3.834
  212    H    ARG  35           H        ARG  35  -3.989  -5.744  -0.686
  213    HA   ARG  35           HA       ARG  35  -4.347  -3.200   0.739
  214    HB3  ARG  35           HB3      ARG  35  -3.398  -4.049   2.748
  215    HG3  ARG  35           HG3      ARG  35  -5.780  -5.115   1.799
  216    HD3  ARG  35           HD3      ARG  35  -4.008  -7.234   1.917
  217    HE   ARG  35           HE       ARG  35  -3.963  -7.744   4.156
  218   HH11  ARG  35          HH11      ARG  35  -7.221  -6.982   3.194
  219   HH12  ARG  35          HH12      ARG  35  -7.924  -7.508   4.687
  220   HH21  ARG  35          HH22      ARG  35  -4.878  -8.442   6.126
  221   HH22  ARG  35          HH21      ARG  35  -6.589  -8.339   6.355
  222    H    CYS  36           H        CYS  36  -2.357  -2.105   1.260
  223    HA   CYS  36           HA       CYS  36  -0.477  -2.189  -0.855
  224    HB3  CYS  36           HB3      CYS  36   0.306  -0.849   1.669
  225    H    CYS  37           H        CYS  37   1.057  -3.657  -1.128
  226    HA   CYS  37           HA       CYS  37   2.289  -4.873   1.255
  227    HB3  CYS  37           HB3      CYS  37   0.995  -6.302  -0.489
  228    H    MET  38           H        MET  38   4.525  -5.084   1.365
  229    HA   MET  38           HA       MET  38   5.993  -3.245  -0.378
  230    HB3  MET  38           HB3      MET  38   7.330  -4.492   1.957
  231    HG3  MET  38           HG3      MET  38   7.535  -2.066   0.413
  232    HE1  MET  38           HE1      MET  38   8.710  -2.742   3.809
  233    HE2  MET  38           HE2      MET  38   8.651  -1.180   4.626
  234    HE3  MET  38           HE3      MET  38   7.272  -2.275   4.719
  235    HA   PRO  39           HA       PRO  39   7.746  -6.699  -2.532
  236    HB3  PRO  39           HB3      PRO  39   7.896  -5.289  -4.339
  237    HG3  PRO  39           HG3      PRO  39   8.258  -3.010  -4.055
  238    HD3  PRO  39           HD3      PRO  39   6.508  -3.319  -2.588
  239    H    THR  40           H        THR  40  10.190  -7.264  -3.143
  240    HA   THR  40           HA       THR  40  11.543  -7.542  -0.596
  241    HB   THR  40           HB       THR  40  12.484  -8.589  -3.265
  242    HG1  THR  40           HG1      THR  40  11.351 -10.526  -2.609
  243   HG21  THR  40          HG21      THR  40  13.536  -8.681  -0.628
  244   HG22  THR  40          HG22      THR  40  14.161  -9.456  -2.084
  245   HG23  THR  40          HG23      THR  40  13.008 -10.308  -1.057
  246    H    VAL  41           H        VAL  41  11.942  -5.148  -0.545
  247    HA   VAL  41           HA       VAL  41  14.467  -4.532  -1.935
  248    HB   VAL  41           HB       VAL  41  13.758  -2.106  -1.783
  249   HG11  VAL  41          HG11      VAL  41  12.772  -2.157  -3.882
  250   HG12  VAL  41          HG12      VAL  41  13.619  -3.704  -3.815
  251   HG13  VAL  41          HG13      VAL  41  11.878  -3.638  -3.538
  252   HG21  VAL  41          HG21      VAL  41  10.999  -3.268  -1.442
  253   HG22  VAL  41          HG22      VAL  41  11.933  -2.561  -0.123
  254   HG23  VAL  41          HG23      VAL  41  11.453  -1.565  -1.498
  255    H    ALA  42           H        ALA  42  15.811  -2.914  -0.806
  256    HA   ALA  42           HA       ALA  42  15.345  -2.735   2.078
  257    HB1  ALA  42           HB1      ALA  42  17.632  -3.464   2.579
  258    HB2  ALA  42           HB2      ALA  42  16.693  -4.738   1.801
  259    HB3  ALA  42           HB3      ALA  42  17.885  -3.828   0.872
  260    H    ALA  43           H        ALA  43  15.123  -0.739   0.088
  261    HA   ALA  43           HA       ALA  43  17.483   0.943   0.616
  262    HB1  ALA  43           HB1      ALA  43  16.474   2.312  -1.333
  263    HB2  ALA  43           HB2      ALA  43  17.321   0.807  -1.692
  264    HB3  ALA  43           HB3      ALA  43  15.558   0.845  -1.673
  265    H    HIS  44           H        HIS  44  17.262   2.714   1.831
  266    HA   HIS  44           HA       HIS  44  16.325   4.240   3.239
  267    HB3  HIS  44           HB3      HIS  44  13.873   4.685   1.732
  268    HD1  HIS  44           HD1      HIS  44  14.590   6.229   4.097
  269    HD2  HIS  44           HD2      HIS  44  16.158   7.187   0.371
  270    HE1  HIS  44           HE1      HIS  44  15.301   8.635   4.264
  Start of MODEL   20
    1    H1   ARG   1           H1       ARG   1 -10.220   7.355  -1.498
    2    HA   ARG   1           HA       ARG   1  -8.060   8.653  -0.094
    3    HB3  ARG   1           HB3      ARG   1  -7.477   6.598   1.212
    4    HG3  ARG   1           HG3      ARG   1  -9.581   8.457   1.822
    5    HD3  ARG   1           HD3      ARG   1 -10.568   7.141   3.679
    6    HE   ARG   1           HE       ARG   1 -11.433   5.581   1.446
    7   HH11  ARG   1          HH11      ARG   1 -11.421   8.780   2.820
    8   HH12  ARG   1          HH12      ARG   1 -12.864   9.279   1.999
    9   HH21  ARG   1          HH22      ARG   1 -13.332   6.226   0.360
   10   HH22  ARG   1          HH21      ARG   1 -13.951   7.825   0.601
   11    H    ARG   2           H        ARG   2  -7.212   8.780  -2.207
   12    HA   ARG   2           HA       ARG   2  -5.500   6.658  -2.931
   13    HB3  ARG   2           HB3      ARG   2  -7.026   6.858  -5.316
   14    HG3  ARG   2           HG3      ARG   2  -6.036   4.778  -3.553
   15    HD3  ARG   2           HD3      ARG   2  -8.494   4.356  -3.397
   16    HE   ARG   2           HE       ARG   2  -8.447   4.674  -6.204
   17   HH11  ARG   2          HH11      ARG   2  -9.870   2.722  -3.696
   18   HH12  ARG   2          HH12      ARG   2 -11.295   2.353  -4.611
   19   HH21  ARG   2          HH22      ARG   2 -10.319   4.196  -7.417
   20   HH22  ARG   2          HH21      ARG   2 -11.549   3.192  -6.728
   21    H    ARG   3           H        ARG   3  -3.887   8.135  -3.114
   22    HA   ARG   3           HA       ARG   3  -2.568   9.737  -4.045
   23    HB3  ARG   3           HB3      ARG   3  -2.809  10.194  -6.416
   24    HG3  ARG   3           HG3      ARG   3  -3.732   7.382  -6.380
   25    HD3  ARG   3           HD3      ARG   3  -1.180   8.548  -7.449
   26    HE   ARG   3           HE       ARG   3  -2.491   6.017  -7.770
   27   HH11  ARG   3          HH11      ARG   3  -0.364   8.332  -9.265
   28   HH12  ARG   3          HH12      ARG   3   0.405   7.160 -10.285
   29   HH21  ARG   3          HH22      ARG   3  -1.487   4.467  -9.107
   30   HH22  ARG   3          HH21      ARG   3  -0.236   4.963 -10.195
   31    H    ARG   4           H        ARG   4  -3.181  11.318  -2.531
   32    HA   ARG   4           HA       ARG   4  -5.102  13.310  -3.547
   33    HB3  ARG   4           HB3      ARG   4  -4.408  13.331  -0.669
   34    HG3  ARG   4           HG3      ARG   4  -6.846  13.798  -2.323
   35    HD3  ARG   4           HD3      ARG   4  -7.412  14.093   0.461
   36    HE   ARG   4           HE       ARG   4  -8.822  12.065  -1.013
   37   HH11  ARG   4          HH11      ARG   4  -8.416  15.486  -0.510
   38   HH12  ARG   4          HH12      ARG   4  -9.999  15.892  -1.087
   39   HH21  ARG   4          HH22      ARG   4 -10.908  12.585  -1.775
   40   HH22  ARG   4          HH21      ARG   4 -11.416  14.240  -1.805
   41    H    ARG   5           H        ARG   5  -2.147  12.924  -1.602
   42    HA   ARG   5           HA       ARG   5  -1.044  15.312  -2.843
   43    HB3  ARG   5           HB3      ARG   5  -1.243  15.043   0.162
   44    HG3  ARG   5           HG3      ARG   5   0.739  16.325  -1.003
   45    HD3  ARG   5           HD3      ARG   5   0.016  18.789  -1.048
   46    HE   ARG   5           HE       ARG   5  -1.095  17.604  -3.416
   47   HH11  ARG   5          HH11      ARG   5   1.836  18.270  -1.658
   48   HH12  ARG   5          HH12      ARG   5   2.846  18.220  -3.064
   49   HH21  ARG   5          HH22      ARG   5   0.225  17.535  -5.276
   50   HH22  ARG   5          HH21      ARG   5   1.929  17.802  -5.122
   51    H    ARG   6           H        ARG   6  -0.508  12.841  -0.337
   52    HA   ARG   6           HA       ARG   6   1.790  11.793  -1.607
   53    HB3  ARG   6           HB3      ARG   6   2.532  13.150   0.952
   54    HG3  ARG   6           HG3      ARG   6   3.913  11.643  -0.994
   55    HD3  ARG   6           HD3      ARG   6   5.822  13.429  -1.182
   56    HE   ARG   6           HE       ARG   6   3.731  12.781  -2.994
   57   HH11  ARG   6          HH11      ARG   6   6.398  14.961  -2.494
   58   HH12  ARG   6          HH12      ARG   6   6.655  15.241  -4.184
   59   HH21  ARG   6          HH22      ARG   6   4.059  13.141  -5.221
   60   HH22  ARG   6          HH21      ARG   6   5.323  14.205  -5.735
   61    HA   PRO   7           HA       PRO   7  -0.355   9.193   1.601
   62    HB3  PRO   7           HB3      PRO   7  -1.924   8.466   0.088
   63    HG3  PRO   7           HG3      PRO   7  -1.504   8.529  -2.198
   64    HD3  PRO   7           HD3      PRO   7  -0.921  10.685  -1.627
   65    HA   PRO   8           HA       PRO   8   3.070   6.600   2.540
   66    HB3  PRO   8           HB3      PRO   8   1.883   5.810   4.342
   67    HG3  PRO   8           HG3      PRO   8  -0.401   5.404   4.190
   68    HD3  PRO   8           HD3      PRO   8  -0.319   7.537   3.321
   69    H    CYS   9           H        CYS   9   0.570   4.691   0.849
   70    HA   CYS   9           HA       CYS   9   2.211   2.700  -0.163
   71    HB3  CYS   9           HB3      CYS   9   0.053   3.611  -1.963
   72    H    GLU  10           H        GLU  10   1.045   5.548  -1.974
   73    HA   GLU  10           HA       GLU  10   2.671   5.208  -4.206
   74    HB3  GLU  10           HB3      GLU  10   2.061   7.981  -3.307
   75    HG3  GLU  10           HG3      GLU  10   0.893   7.302  -5.793
   76    H    ASP  11           H        ASP  11   3.314   6.824  -1.147
   77    HA   ASP  11           HA       ASP  11   5.653   8.175  -1.774
   78    HB3  ASP  11           HB3      ASP  11   6.150   7.350   0.779
   79    H    VAL  12           H        VAL  12   5.382   4.898  -0.386
   80    HA   VAL  12           HA       VAL  12   8.171   4.379  -1.055
   81    HB   VAL  12           HB       VAL  12   7.925   2.307   0.181
   82   HG11  VAL  12          HG11      VAL  12   7.823   3.222   2.297
   83   HG12  VAL  12          HG12      VAL  12   8.129   4.648   1.304
   84   HG13  VAL  12          HG13      VAL  12   6.496   4.306   1.881
   85   HG21  VAL  12          HG21      VAL  12   5.318   2.611   1.297
   86   HG22  VAL  12          HG22      VAL  12   5.188   2.609  -0.462
   87   HG23  VAL  12          HG23      VAL  12   5.972   1.263   0.365
   88    H    ASN  13           H        ASN  13   5.675   4.497  -2.934
   89    HA   ASN  13           HA       ASN  13   4.793   3.306  -4.693
   90    HB3  ASN  13           HB3      ASN  13   6.770   4.133  -5.735
   91   HD21  ASN  13          HD22      ASN  13   8.376   4.733  -4.269
   92   HD22  ASN  13          HD21      ASN  13   9.737   3.719  -3.945
   93    H    GLY  14           H        GLY  14   3.692   1.731  -3.365
   94    HA2  GLY  14           HA2      GLY  14   5.007  -0.912  -3.345
   95    HA3  GLY  14           HA3      GLY  14   3.742  -0.422  -2.229
   96    H    GLN  15           H        GLN  15   2.910  -2.571  -3.030
   97    HA   GLN  15           HA       GLN  15   1.329  -2.166  -5.483
   98    HB3  GLN  15           HB3      GLN  15   1.310  -4.857  -5.197
   99    HG3  GLN  15           HG3      GLN  15   3.417  -4.826  -6.711
  100   HE21  GLN  15          HE22      GLN  15   2.548  -2.756  -8.740
  101   HE22  GLN  15          HE21      GLN  15   1.113  -3.423  -9.432
  102    H    CYS  16           H        CYS  16  -0.653  -3.704  -5.478
  103    HA   CYS  16           HA       CYS  16  -1.938  -3.502  -2.832
  104    HB3  CYS  16           HB3      CYS  16  -4.091  -3.340  -4.126
  105    H    GLN  17           H        GLN  17  -1.313  -5.598  -2.211
  106    HA   GLN  17           HA       GLN  17  -2.609  -7.771  -3.724
  107    HB3  GLN  17           HB3      GLN  17  -0.827  -9.125  -3.366
  108    HG3  GLN  17           HG3      GLN  17   0.775  -6.752  -2.529
  109   HE21  GLN  17          HE22      GLN  17   2.429  -6.754  -4.684
  110   HE22  GLN  17          HE21      GLN  17   3.293  -8.247  -4.767
  111    HA   PRO  18           HA       PRO  18  -5.157  -8.773  -0.298
  112    HB3  PRO  18           HB3      PRO  18  -6.006 -10.497  -1.557
  113    HG3  PRO  18           HG3      PRO  18  -4.634 -11.755  -2.951
  114    HD3  PRO  18           HD3      PRO  18  -4.030  -9.630  -3.611
  115    H    ARG  19           H        ARG  19  -5.224 -10.569   1.584
  116    HA   ARG  19           HA       ARG  19  -2.732 -10.166   3.053
  117    HB3  ARG  19           HB3      ARG  19  -4.728  -9.478   4.212
  118    HG3  ARG  19           HG3      ARG  19  -5.978 -11.978   4.777
  119    HD3  ARG  19           HD3      ARG  19  -6.796  -9.368   3.544
  120    HE   ARG  19           HE       ARG  19  -8.628 -10.453   2.733
  121   HH11  ARG  19          HH11      ARG  19  -7.693 -11.950   5.734
  122   HH12  ARG  19          HH12      ARG  19  -9.059 -13.016   5.778
  123   HH21  ARG  19          HH22      ARG  19 -10.429 -11.852   2.779
  124   HH22  ARG  19          HH21      ARG  19 -10.614 -12.960   4.096
  125    H    GLY  20           H        GLY  20  -2.272 -11.976   1.144
  126    HA2  GLY  20           HA2      GLY  20  -1.783 -14.384   2.690
  127    HA3  GLY  20           HA3      GLY  20  -2.824 -14.595   1.290
  128    H    ASN  21           H        ASN  21  -0.069 -12.404   1.531
  129    HA   ASN  21           HA       ASN  21   1.348 -14.081  -0.435
  130    HB3  ASN  21           HB3      ASN  21   1.012 -12.383  -1.880
  131   HD21  ASN  21          HD22      ASN  21  -0.941 -11.510  -1.999
  132   HD22  ASN  21          HD21      ASN  21  -1.504 -10.184  -1.046
  133    HA   PRO  22           HA       PRO  22   4.801 -13.952   2.281
  134    HB3  PRO  22           HB3      PRO  22   5.734 -15.574   0.948
  135    HG3  PRO  22           HG3      PRO  22   5.419 -15.561  -1.356
  136    HD3  PRO  22           HD3      PRO  22   3.236 -15.330  -0.656
  137    H    CYS  23           H        CYS  23   4.241 -11.574  -0.081
  138    HA   CYS  23           HA       CYS  23   6.564 -10.015   0.075
  139    HB3  CYS  23           HB3      CYS  23   4.599  -9.773  -1.540
  140    H    LEU  24           H        LEU  24   5.886  -7.503   0.885
  141    HA   LEU  24           HA       LEU  24   5.745  -7.847   3.793
  142    HB3  LEU  24           HB3      LEU  24   6.379  -5.178   3.107
  143    HG   LEU  24           HG       LEU  24   8.348  -7.308   3.931
  144   HD11  LEU  24          HD11      LEU  24   8.501  -4.435   3.476
  145   HD12  LEU  24          HD12      LEU  24   9.788  -5.630   3.632
  146   HD13  LEU  24          HD13      LEU  24   9.065  -4.919   5.076
  147   HD21  LEU  24          HD21      LEU  24   7.906  -6.415   6.233
  148   HD22  LEU  24          HD22      LEU  24   6.586  -7.349   5.529
  149   HD23  LEU  24          HD23      LEU  24   6.496  -5.588   5.570
  150    H    ARG  25           H        ARG  25   4.686  -6.033   5.015
  151    HA   ARG  25           HA       ARG  25   2.214  -5.211   3.638
  152    HB3  ARG  25           HB3      ARG  25   1.734  -5.100   6.389
  153    HG3  ARG  25           HG3      ARG  25   0.360  -6.035   4.342
  154    HD3  ARG  25           HD3      ARG  25   2.107  -8.168   4.845
  155    HE   ARG  25           HE       ARG  25  -0.287  -8.598   6.324
  156   HH11  ARG  25          HH11      ARG  25   2.018 -10.162   4.235
  157   HH12  ARG  25          HH12      ARG  25   1.723 -11.744   4.875
  158   HH21  ARG  25          HH22      ARG  25  -0.684 -10.677   7.177
  159   HH22  ARG  25          HH21      ARG  25   0.185 -12.036   6.548
  160    H    LEU  26           H        LEU  26   1.439  -3.135   3.956
  161    HA   LEU  26           HA       LEU  26   3.233  -1.295   5.396
  162    HB3  LEU  26           HB3      LEU  26   2.273   0.362   3.581
  163    HG   LEU  26           HG       LEU  26   4.677  -1.283   3.550
  164   HD11  LEU  26          HD11      LEU  26   3.417  -1.597   1.242
  165   HD12  LEU  26          HD12      LEU  26   5.165  -1.386   1.331
  166   HD13  LEU  26          HD13      LEU  26   4.131  -0.017   0.924
  167   HD21  LEU  26          HD21      LEU  26   4.753   0.971   4.322
  168   HD22  LEU  26          HD22      LEU  26   3.997   1.564   2.842
  169   HD23  LEU  26          HD23      LEU  26   5.632   0.906   2.794
  170    H    ARG  27           H        ARG  27   0.122  -0.872   3.729
  171    HA   ARG  27           HA       ARG  27  -1.320  -0.570   6.201
  172    HB3  ARG  27           HB3      ARG  27  -2.061   1.816   5.357
  173    HG3  ARG  27           HG3      ARG  27  -0.416   0.991   7.383
  174    HD3  ARG  27           HD3      ARG  27   0.997   3.318   6.148
  175    HE   ARG  27           HE       ARG  27   2.428   1.453   7.791
  176   HH11  ARG  27          HH11      ARG  27   0.329   4.230   7.795
  177   HH12  ARG  27          HH12      ARG  27   0.844   4.779   9.356
  178   HH21  ARG  27          HH22      ARG  27   3.115   2.165   9.846
  179   HH22  ARG  27          HH21      ARG  27   2.430   3.604  10.521
  180    H    GLY  28           H        GLY  28  -3.573   0.646   5.458
  181    HA2  GLY  28           HA2      GLY  28  -4.636  -1.191   3.462
  182    HA3  GLY  28           HA3      GLY  28  -5.572  -0.165   4.538
  183    H    ALA  29           H        ALA  29  -2.935   1.137   2.680
  184    HA   ALA  29           HA       ALA  29  -4.690   3.015   1.404
  185    HB1  ALA  29           HB1      ALA  29  -1.749   2.584   1.513
  186    HB2  ALA  29           HB2      ALA  29  -2.410   3.564   0.203
  187    HB3  ALA  29           HB3      ALA  29  -2.696   4.026   1.881
  188    H    CYS  30           H        CYS  30  -5.775   0.870   0.494
  189    HA   CYS  30           HA       CYS  30  -5.149   0.861  -2.325
  190    HB3  CYS  30           HB3      CYS  30  -5.298  -1.806  -2.117
  191    HA   PRO  31           HA       PRO  31  -9.461   0.207  -2.789
  192    HB3  PRO  31           HB3      PRO  31  -9.146   0.280  -5.064
  193    HG3  PRO  31           HG3      PRO  31  -7.286  -0.707  -6.050
  194    HD3  PRO  31           HD3      PRO  31  -6.253   0.523  -4.395
  195    H    ARG  32           H        ARG  32 -11.203  -1.298  -2.590
  196    HA   ARG  32           HA       ARG  32 -10.896  -3.277  -0.705
  197    HB3  ARG  32           HB3      ARG  32 -13.127  -3.984  -1.223
  198    HG3  ARG  32           HG3      ARG  32 -12.573  -1.361  -0.725
  199    HD3  ARG  32           HD3      ARG  32 -13.960  -1.589  -3.335
  200    HE   ARG  32           HE       ARG  32 -14.690   0.795  -1.902
  201   HH11  ARG  32          HH11      ARG  32 -15.634  -2.447  -2.748
  202   HH12  ARG  32          HH12      ARG  32 -17.327  -2.152  -2.526
  203   HH21  ARG  32          HH22      ARG  32 -16.916   1.198  -1.608
  204   HH22  ARG  32          HH21      ARG  32 -18.055  -0.078  -1.879
  205    H    GLY  33           H        GLY  33 -10.651  -5.495  -0.721
  206    HA2  GLY  33           HA2      GLY  33 -10.343  -7.618  -1.657
  207    HA3  GLY  33           HA3      GLY  33 -10.372  -6.893  -3.257
  208    H    SER  34           H        SER  34  -8.340  -4.961  -1.672
  209    HA   SER  34           HA       SER  34  -5.984  -6.648  -1.698
  210    HB3  SER  34           HB3      SER  34  -4.924  -5.802  -3.547
  211    HG   SER  34           HG       SER  34  -6.713  -6.662  -4.503
  212    H    ARG  35           H        ARG  35  -4.146  -5.652  -0.754
  213    HA   ARG  35           HA       ARG  35  -4.668  -3.080   0.575
  214    HB3  ARG  35           HB3      ARG  35  -5.017  -4.938   2.166
  215    HG3  ARG  35           HG3      ARG  35  -2.205  -5.639   1.414
  216    HD3  ARG  35           HD3      ARG  35  -2.517  -5.268   3.932
  217    HE   ARG  35           HE       ARG  35  -4.545  -7.248   3.553
  218   HH11  ARG  35          HH11      ARG  35  -2.130  -6.063   5.763
  219   HH12  ARG  35          HH12      ARG  35  -2.935  -6.671   7.172
  220   HH21  ARG  35          HH22      ARG  35  -5.615  -8.053   5.400
  221   HH22  ARG  35          HH21      ARG  35  -4.916  -7.804   6.964
  222    H    CYS  36           H        CYS  36  -2.740  -1.923   1.241
  223    HA   CYS  36           HA       CYS  36  -0.757  -1.890  -0.773
  224    HB3  CYS  36           HB3      CYS  36  -0.514  -0.613   1.951
  225    H    CYS  37           H        CYS  37   0.888  -3.237  -1.016
  226    HA   CYS  37           HA       CYS  37   2.195  -4.323   1.387
  227    HB3  CYS  37           HB3      CYS  37   0.886  -5.763  -0.769
  228    H    MET  38           H        MET  38   4.410  -4.479   1.330
  229    HA   MET  38           HA       MET  38   5.747  -2.822  -0.594
  230    HB3  MET  38           HB3      MET  38   7.442  -4.461   1.149
  231    HG3  MET  38           HG3      MET  38   7.818  -1.939   1.973
  232    HE1  MET  38           HE1      MET  38   9.203  -0.458  -0.449
  233    HE2  MET  38           HE2      MET  38  10.182  -0.633   1.008
  234    HE3  MET  38           HE3      MET  38  10.838  -1.112  -0.558
  235    HA   PRO  39           HA       PRO  39   6.709  -6.021  -3.493
  236    HB3  PRO  39           HB3      PRO  39   6.852  -4.341  -5.053
  237    HG3  PRO  39           HG3      PRO  39   7.609  -2.220  -4.466
  238    HD3  PRO  39           HD3      PRO  39   6.031  -2.549  -2.818
  239    H    THR  40           H        THR  40   8.786  -7.005  -4.447
  240    HA   THR  40           HA       THR  40  10.628  -7.495  -2.220
  241    HB   THR  40           HB       THR  40  10.545  -9.121  -4.748
  242    HG1  THR  40           HG1      THR  40   8.714 -10.004  -4.152
  243   HG21  THR  40          HG21      THR  40  12.154 -10.211  -3.652
  244   HG22  THR  40          HG22      THR  40  10.934 -10.714  -2.483
  245   HG23  THR  40          HG23      THR  40  11.886  -9.258  -2.194
  246    H    VAL  41           H        VAL  41  11.056  -5.093  -3.478
  247    HA   VAL  41           HA       VAL  41  13.335  -5.559  -5.272
  248    HB   VAL  41           HB       VAL  41  13.164  -3.232  -5.917
  249   HG11  VAL  41          HG11      VAL  41  10.315  -3.835  -6.100
  250   HG12  VAL  41          HG12      VAL  41  11.521  -3.647  -7.376
  251   HG13  VAL  41          HG13      VAL  41  11.350  -5.191  -6.542
  252   HG21  VAL  41          HG21      VAL  41  12.464  -1.844  -4.294
  253   HG22  VAL  41          HG22      VAL  41  10.853  -2.202  -4.916
  254   HG23  VAL  41          HG23      VAL  41  11.478  -3.085  -3.523
  255    H    ALA  42           H        ALA  42  15.345  -4.610  -4.876
  256    HA   ALA  42           HA       ALA  42  15.767  -3.768  -2.083
  257    HB1  ALA  42           HB1      ALA  42  17.754  -4.897  -2.018
  258    HB2  ALA  42           HB2      ALA  42  16.857  -5.921  -3.139
  259    HB3  ALA  42           HB3      ALA  42  18.023  -4.750  -3.756
  260    H    ALA  43           H        ALA  43  15.499  -1.565  -2.344
  261    HA   ALA  43           HA       ALA  43  17.478  -0.235  -4.079
  262    HB1  ALA  43           HB1      ALA  43  15.679   1.708  -3.777
  263    HB2  ALA  43           HB2      ALA  43  15.582   0.514  -5.072
  264    HB3  ALA  43           HB3      ALA  43  14.608   0.316  -3.615
  265    H    HIS  44           H        HIS  44  17.765   2.157  -3.276
  266    HA   HIS  44           HA       HIS  44  17.995   2.169  -0.343
  267    HB3  HIS  44           HB3      HIS  44  20.165   3.652  -1.170
  268    HD1  HIS  44           HD1      HIS  44  20.920   0.072  -1.574
  269    HD2  HIS  44           HD2      HIS  44  20.511   2.783   1.548
  270    HE1  HIS  44           HE1      HIS  44  21.945  -1.050   0.430