*HEADER    TOXIN                                   05-JUL-04   1WM7              
*TITLE     SOLUTION STRUCTURE OF BMP01 FROM THE VENOM OF SCORPION                
*TITLE    2 BUTHUS MARTENSII KARSCH, 9 STRUCTURES                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NEUROTOXIN BMP01;                                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: POTASSIUM ION CHANNEL BLOCKER P01                           
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BUTHUS MARTENSII KARSCH;                        
*SOURCE   3 ORGANISM_COMMON: CHINESE SCORPION                                    
*KEYWDS    ALPHA/BETA SCAFFOLD                                                   
*EXPDTA    NMR, 9 STRUCTURES                                                     
*AUTHOR    G.WU, Y.LI, D.WEI, F.HE, S.JIANG, G.HU, H.WU, X.CHEN                  
*REVDAT   1   27-JUL-04 1WM7    0                                                

#
# DIANA Upper Limit File for molecule named: BMPmol 
# created on Tue Dec  9 19:46:21 1997 
# from SYBYL/DIANA 
#
 21 ASN  H      21 ASN  HA      3.00  3.20e+01
 20 ASP  HA     21 ASN  H       3.00  3.20e+01
 27 GLU  H      27 GLU  HA      5.00  3.20e+01
 25 VAL  H      25 VAL  HA      5.00  3.20e+01
 26 CYS  HA     27 GLU  H       5.00  3.20e+01
 19 CYS  HA     24 CYS  H       3.00  3.20e+01
 19 CYS  H      19 CYS  HA      5.00  3.20e+01
  3 CYS  H       3 CYS  HA      5.00  3.20e+01
 18 LYS  H      18 LYS  HA      3.00  3.20e+01
 18 LYS  HA     19 CYS  H       3.00  3.20e+01
 16 ARG  H      16 ARG  HA      5.00  3.20e+01
  2 THR  HB      3 CYS  H       5.00  3.20e+01
  2 THR  HA      3 CYS  H       3.00  3.20e+01
 17 ALA  HA     18 LYS  H       5.00  3.20e+01
 21 ASN  H      21 ASN  HB1     5.00  3.20e+01
 21 ASN  H      21 ASN  HB2     5.00  3.20e+01
 26 CYS  HB2    27 GLU  H       5.00  3.20e+01
  9 HIS  HB1    10 CYS  H       3.00  3.20e+01
  9 HIS  HB2    10 CYS  H       5.00  3.20e+01
  3 CYS  H       3 CYS  HB2     5.00  3.20e+01
  3 CYS  H       3 CYS  HB1     3.00  3.20e+01
 19 CYS  H      19 CYS  HB1     3.00  3.20e+01
 19 CYS  H      19 CYS  HB2     3.00  3.20e+01
 19 CYS  HB2    24 CYS  H       5.00  3.20e+01
 24 CYS  H      24 CYS  HB1     5.00  3.20e+01
 10 CYS  H      10 CYS  HB1     5.00  3.20e+01
 24 CYS  H      24 CYS  HB2     3.00  3.20e+01
 10 CYS  H      10 CYS  HB2     3.00  3.20e+01
 25 VAL  H      25 VAL  QG1     6.00  3.20e+01
 25 VAL  H      25 VAL  HB      3.00  3.20e+01
 27 GLU  H      15 ALA  QB      6.00  3.20e+01
 27 GLU  H      27 GLU  HB2     3.00  3.20e+01
 27 GLU  H      27 GLU  HB1     5.00  3.20e+01
 27 GLU  H      27 GLU  QG      5.60  3.20e+01
 24 CYS  H      25 VAL  QG1     6.00  3.20e+01
 18 LYS  H      17 ALA  QB      6.00  3.20e+01
 16 ARG  H      15 ALA  QB      4.00  3.20e+01
  3 CYS  H       2 THR  QG2     6.00  3.20e+01
 18 LYS  HG1    19 CYS  H       5.00  3.20e+01
 16 ARG  H      16 ARG  QG      5.60  3.20e+01
 18 LYS  H      18 LYS  HB2     3.00  3.20e+01
 18 LYS  H      18 LYS  HB1     3.00  3.20e+01
 18 LYS  H      25 VAL  HB      5.00  3.20e+01
 19 CYS  H      18 LYS  QD      5.60  3.20e+01
 16 ARG  H      16 ARG  HB1     5.00  3.20e+01
 16 ARG  H      16 ARG  HB2     3.00  3.20e+01
 18 LYS  HB1    19 CYS  H       5.00  3.20e+01
  2 THR  H       2 THR  HA      5.00  3.20e+01
  1 ALA  HA      2 THR  H       3.00  3.20e+01
 25 VAL  HA     26 CYS  H       3.00  3.20e+01
 16 ARG  HA     17 ALA  H       3.00  3.20e+01
 20 ASP  H      23 LYS  HA      3.00  3.20e+01
 17 ALA  H      17 ALA  HA      5.00  3.20e+01
 28 PRO  HA     29 LYS  H       3.00  3.20e+01
 11 ALA  H      11 ALA  HA      3.00  3.20e+01
  9 HIS  H       9 HIS  HA      5.00  3.20e+01
 14 ASN  H      14 ASN  HA      3.00  3.20e+01
 11 ALA  HA     14 ASN  H       5.00  3.20e+01
  4 GLU  HA      5 ASP  H       5.00  3.20e+01
  8 GLU  H       8 GLU  HA      3.00  3.20e+01
  8 GLU  HA      9 HIS  H       3.00  3.20e+01
  8 GLU  HA     11 ALA  H       5.00  3.20e+01
 29 LYS  H      29 LYS  HA      3.00  3.20e+01
  4 GLU  H       4 GLU  HA      3.00  3.20e+01
  3 CYS  HA      4 GLU  H       3.00  3.20e+01
 22 ASP  H      22 ASP  HA      3.00  3.20e+01
 21 ASN  HA     22 ASP  H       3.00  3.20e+01
 12 THR  H      12 THR  HA      3.00  3.20e+01
 12 THR  H      12 THR  HB      3.00  3.20e+01
 12 THR  HB     15 ALA  H       3.00  3.20e+01
 14 ASN  HA     15 ALA  H       3.00  3.20e+01
 22 ASP  HA     23 LYS  H       5.00  3.20e+01
 23 LYS  H      23 LYS  HA      5.00  3.20e+01
  7 PRO  HD2     8 GLU  H       3.00  3.20e+01
  9 HIS  H       9 HIS  HB1     3.00  3.20e+01
  9 HIS  H       9 HIS  HB2     3.00  3.20e+01
  6 CYS  H       7 PRO  HD1     5.00  3.20e+01
  6 CYS  H       6 CYS  HB1     5.00  3.20e+01
  6 CYS  H       6 CYS  HB2     5.00  3.20e+01
 14 ASN  HB1    14 ASN  HD22    5.00  3.20e+01
 14 ASN  H      14 ASN  HB1     5.00  3.20e+01
 14 ASN  H      14 ASN  HB2     5.00  3.20e+01
  5 ASP  H       5 ASP  HB2     5.00  3.20e+01
  5 ASP  H       5 ASP  HB1     5.00  3.20e+01
  3 CYS  HB2     4 GLU  H       5.00  3.20e+01
  3 CYS  HB1     4 GLU  H       5.00  3.20e+01
 22 ASP  H      22 ASP  HB2     5.00  3.20e+01
 21 ASN  HB1    22 ASP  H       5.00  3.20e+01
 22 ASP  H      22 ASP  HB1     5.00  3.20e+01
 26 CYS  H      26 CYS  HB1     5.00  3.20e+01
 26 CYS  H      26 CYS  HB2     3.00  3.20e+01
 20 ASP  H      20 ASP  HB2     3.00  3.20e+01
 20 ASP  H      20 ASP  HB1     3.00  3.20e+01
  4 GLU  H       4 GLU  QG      3.60  3.20e+01
 10 CYS  HB1    11 ALA  H       5.00  3.20e+01
  8 GLU  H       8 GLU  HG1     5.00  3.20e+01
  8 GLU  H       8 GLU  HG2     5.00  3.20e+01
 21 ASN  HB2    21 ASN  HD21    5.00  3.20e+01
 26 CYS  H      25 VAL  QG2     6.00  3.20e+01
  2 THR  H       2 THR  QG2     4.00  3.20e+01
  2 THR  H       1 ALA  QB      6.00  3.20e+01
 17 ALA  H      17 ALA  QB      4.00  3.20e+01
  2 THR  HG22    4 GLU  H       5.00  3.20e+01
 15 ALA  H      15 ALA  QB      4.00  3.20e+01
 12 THR  H      12 THR  QG2     4.00  3.20e+01
 12 THR  H      11 ALA  QB      6.00  3.20e+01
 23 LYS  H      23 LYS  QB      3.60  3.20e+01
 23 LYS  H      23 LYS  HG1     5.00  3.20e+01
 13 GLN  HB1    15 ALA  H       5.00  3.20e+01
  7 PRO  HG1     8 GLU  H       3.00  3.20e+01
  8 GLU  H       8 GLU  HB1     3.00  3.20e+01
  8 GLU  H       8 GLU  HB2     3.00  3.20e+01
  7 PRO  HB1     8 GLU  H       5.00  3.20e+01
  8 GLU  HB2     9 HIS  H       3.00  3.20e+01
  8 GLU  HB1     9 HIS  H       3.00  3.20e+01
 28 PRO  HB1    29 LYS  H       5.00  3.20e+01
 29 LYS  H      29 LYS  HB2     5.00  3.20e+01
 28 PRO  HB2    29 LYS  H       5.00  3.20e+01
 29 LYS  H      29 LYS  HB1     3.00  3.20e+01
 29 LYS  H      29 LYS  HG2     5.00  3.20e+01
  4 GLU  H       4 GLU  HB2     3.00  3.20e+01
  4 GLU  H       4 GLU  HB1     3.00  3.20e+01
 17 ALA  H      16 ARG  QG      5.60  3.20e+01
 16 ARG  HG2    17 ALA  H       3.00  3.20e+01
 25 VAL  HB     26 CYS  H       5.00  3.20e+01
 11 ALA  H      11 ALA  QB      4.00  3.20e+01
 16 ARG  HE     16 ARG  QD      3.60  3.20e+01
  9 HIS  HB1     9 HIS  HD1     3.00  3.20e+01
 24 CYS  H      25 VAL  H       5.00  3.20e+01
 16 ARG  H      27 GLU  H       5.00  3.20e+01
  9 HIS  H      10 CYS  H       3.00  3.20e+01
 10 CYS  H      11 ALA  H       3.00  3.20e+01
  3 CYS  H       4 GLU  H       3.00  3.20e+01
 23 LYS  H      24 CYS  H       3.00  3.20e+01
 22 ASP  H      23 LYS  H       3.00  3.20e+01
 11 ALA  H      12 THR  H       3.00  3.20e+01
 14 ASN  H      15 ALA  H       3.00  3.20e+01
  4 GLU  H       5 ASP  H       3.00  3.20e+01
 13 GLN  HE21   13 GLN  HE22    2.50  3.20e+01
 21 ASN  HD21   21 ASN  HD22    2.50  3.20e+01
 14 ASN  HD21   14 ASN  HD22    2.50  3.20e+01
  8 GLU  H       9 HIS  H       3.00  3.20e+01
 21 ASN  H      22 ASP  H       3.00  3.20e+01
 12 THR  H      13 GLN  H       3.00  3.20e+01
 26 CYS  HB1    27 GLU  H       5.00  3.20e+01
 24 CYS  HA     25 VAL  H       3.00  3.20e+01
 19 CYS  HA     19 CYS  HB1     3.00  3.20e+01
 19 CYS  HA     19 CYS  HB2     3.00  3.20e+01
 26 CYS  HA     26 CYS  HB1     3.00  3.20e+01
 26 CYS  HA     26 CYS  HB2     3.00  3.20e+01
 27 GLU  HA     28 PRO  HD2     2.50  3.20e+01
 27 GLU  HA     28 PRO  HD1     2.50  3.20e+01
  6 CYS  HA      7 PRO  HD1     3.00  3.20e+01
 28 PRO  HA     28 PRO  HD2     3.00  3.20e+01
  7 PRO  HA      7 PRO  HD1     3.00  3.20e+01
  6 CYS  HA      9 HIS  HB1     3.00  3.20e+01
  6 CYS  HA      9 HIS  HB2     3.00  3.20e+01
  9 HIS  HA      9 HIS  HB1     3.00  3.20e+01
  9 HIS  HA      9 HIS  HB2     3.00  3.20e+01
  3 CYS  HA      6 CYS  HB1     3.00  3.20e+01
  3 CYS  HA      3 CYS  HB2     2.50  3.20e+01
  6 CYS  HB1     7 PRO  HD1     3.00  3.20e+01
 28 PRO  HD1    28 PRO  HD2     2.50  3.20e+01
  6 CYS  HB2     7 PRO  HD1     2.50  3.20e+01
  5 ASP  HA      5 ASP  HB1     3.00  3.20e+01
  5 ASP  HA      5 ASP  HB2     3.00  3.20e+01
 20 ASP  HA     20 ASP  HB1     3.00  3.20e+01
 20 ASP  HA     20 ASP  HB2     3.00  3.20e+01
 27 GLU  HA     27 GLU  QG      5.60  3.20e+01
 27 GLU  HA     27 GLU  HB1     3.00  3.20e+01
 27 GLU  HA     27 GLU  HB2     3.00  3.20e+01
 16 ARG  HA     16 ARG  QD      3.60  3.20e+01
 14 ASN  HA     14 ASN  HB1     3.00  3.20e+01
  3 CYS  HA      3 CYS  HB1     3.00  3.20e+01
  3 CYS  HA      6 CYS  HB2     3.00  3.20e+01
 21 ASN  HA     21 ASN  HB1     2.50  3.20e+01
 22 ASP  HA     22 ASP  HB1     3.00  3.20e+01
 20 ASP  HB1    22 ASP  HA      3.00  3.20e+01
 21 ASN  HA     21 ASN  HB2     2.50  3.20e+01
 14 ASN  HA     14 ASN  HB2     3.00  3.20e+01
 10 CYS  HA     10 CYS  HB1     3.00  3.20e+01
 10 CYS  HA     10 CYS  HB2     5.00  3.20e+01
 28 PRO  HA     28 PRO  HB1     3.00  3.20e+01
 13 GLN  HA     13 GLN  QG      3.60  3.20e+01
  8 GLU  HA      8 GLU  HG2     5.00  3.20e+01
  8 GLU  HA      8 GLU  HG1     3.00  3.20e+01
  4 GLU  HA      4 GLU  QG      3.60  3.20e+01
  7 PRO  HA      7 PRO  HB1     3.00  3.20e+01
 29 LYS  HA     16 ARG  QD      3.60  3.20e+01
 28 PRO  HB1    28 PRO  HD2     3.00  3.20e+01
  7 PRO  HB1     7 PRO  HD2     3.00  3.20e+01
  7 PRO  HG2     7 PRO  HD1     3.00  3.20e+01
 28 PRO  HG2    28 PRO  HD1     3.00  3.20e+01
 28 PRO  HG2    28 PRO  HD2     3.00  3.20e+01
 28 PRO  HG1    28 PRO  HD1     3.00  3.20e+01
 28 PRO  HB2    28 PRO  HD1     3.00  3.20e+01
  7 PRO  HB2     7 PRO  HD1     3.00  3.20e+01
 28 PRO  HG1    28 PRO  HD2     3.00  3.20e+01
  8 GLU  HA      8 GLU  HB2     3.00  3.20e+01
  8 GLU  HA      8 GLU  HB1     3.00  3.20e+01
  4 GLU  HA      4 GLU  HB2     3.00  3.20e+01
  7 PRO  HA      7 PRO  HB2     3.00  3.20e+01
 29 LYS  HA     29 LYS  HB1     3.00  3.20e+01
  8 GLU  HA     11 ALA  QB      4.00  3.20e+01
 25 VAL  HA     25 VAL  HB      3.00  3.20e+01
 28 PRO  HA     28 PRO  HG1     3.00  3.20e+01
 28 PRO  HA     28 PRO  HB2     3.00  3.20e+01
 13 GLN  HA     13 GLN  QB      3.60  3.20e+01
 23 LYS  HA     23 LYS  QB      3.60  3.20e+01
 18 LYS  HA     18 LYS  HB1     3.00  3.20e+01
 16 ARG  HA     16 ARG  HB1     3.00  3.20e+01
 16 ARG  HA     16 ARG  HB2     3.00  3.20e+01
 18 LYS  HA     18 LYS  HB2     3.00  3.20e+01
 11 ALA  HA     11 ALA  QB      4.00  3.20e+01
 16 ARG  HA     16 ARG  QG      3.60  3.20e+01
  1 ALA  HA      1 ALA  QB      4.00  3.20e+01
 12 THR  HA     12 THR  QG2     4.00  3.20e+01
 12 THR  HB     12 THR  QG2     4.00  3.20e+01
  7 PRO  HA     17 ALA  QB      4.00  3.20e+01
 18 LYS  HA     18 LYS  HG2     3.00  3.20e+01
  2 THR  HB      2 THR  QG2     4.00  3.20e+01
  2 THR  HA      2 THR  QG2     4.00  3.20e+01
 15 ALA  HA     15 ALA  QB      4.00  3.20e+01
 17 ALA  HA     17 ALA  QB      4.00  3.20e+01
 16 ARG  HB1    16 ARG  QD      3.60  3.20e+01
 16 ARG  HB2    16 ARG  QD      3.60  3.20e+01
 16 ARG  QG     16 ARG  QD      4.20  3.20e+01
  6 CYS  HB2    17 ALA  QB      4.00  3.20e+01
 18 LYS  HG2    26 CYS  HB1     2.50  3.20e+01
 18 LYS  HG2    26 CYS  HB2     3.00  3.20e+01
 10 CYS  HB1    15 ALA  QB      6.00  3.20e+01
 10 CYS  HB2    15 ALA  QB      6.00  3.20e+01
 25 VAL  HB     25 VAL  QG2     4.00  3.20e+01
  7 PRO  HB2    17 ALA  QB      4.00  3.20e+01
 27 GLU  HB2    27 GLU  HB1     2.50  3.20e+01
  7 PRO  HG1     7 PRO  HG2     2.50  3.20e+01
  7 PRO  HB2     7 PRO  HG2     2.50  3.20e+01
 27 GLU  HB2    27 GLU  QG      3.60  3.20e+01
  7 PRO  HB2     7 PRO  HB1     2.50  3.20e+01
 28 PRO  HB1    28 PRO  HG1     3.00  3.20e+01
  4 GLU  HB2     4 GLU  QG      3.60  3.20e+01
  4 GLU  HB1     4 GLU  QG      3.60  3.20e+01
  8 GLU  HB1     8 GLU  HG1     3.00  3.20e+01
  8 GLU  HB1     8 GLU  HG2     3.00  3.20e+01
  8 GLU  HB2     8 GLU  HG2     3.00  3.20e+01
  8 GLU  HB2     8 GLU  HG1     3.00  3.20e+01
  7 PRO  HB1     7 PRO  HG2     3.00  3.20e+01
 27 GLU  HB1    27 GLU  QG      3.60  3.20e+01
 10 CYS  HB2    10 CYS  HB1     2.50  3.20e+01
  5 ASP  HB2     4 GLU  QG      3.60  3.20e+01
 20 ASP  HB2    20 ASP  HB1     2.50  3.20e+01
 26 CYS  HB2    26 CYS  HB1     2.50  3.20e+01
 21 ASN  HB2    21 ASN  HB1     2.50  3.20e+01
 14 ASN  HB2    14 ASN  HB1     2.50  3.20e+01
 22 ASP  HB2    22 ASP  HB1     2.50  3.20e+01
 19 CYS  HB2    19 CYS  HB1     2.50  3.20e+01
 18 LYS  HB2    18 LYS  HB1     2.50  3.20e+01
 23 LYS  HG2    23 LYS  QD      3.60  3.20e+01
 23 LYS  HG2    23 LYS  QB      3.60  3.20e+01
 29 LYS  HG2    29 LYS  QD      3.60  3.20e+01
 29 LYS  HG1    29 LYS  QD      3.60  3.20e+01
 29 LYS  HB1    29 LYS  QD      3.10  3.20e+01
 16 ARG  HB2    16 ARG  HB1     2.50  3.20e+01
  8 GLU  HB2     8 GLU  HB1     2.50  3.20e+01
 28 PRO  HB2    28 PRO  HB1     2.50  3.20e+01
  6 CYS  HB2     6 CYS  HB1     2.50  3.20e+01
  3 CYS  HB2     6 CYS  HB2     3.00  3.20e+01
 22 ASP  HA     22 ASP  HB2     3.00  3.20e+01
  6 CYS  HA      6 CYS  HB2     3.00  3.20e+01
 17 ALA  HA     26 CYS  HA      3.00  3.20e+01
 19 CYS  HA     24 CYS  HA      3.00  3.20e+01
 25 VAL  HA     25 VAL  QG2     6.00  3.20e+01
 20 ASP  H      20 ASP  HA      5.00  3.20e+01
  5 ASP  H       5 ASP  HA      5.00  3.20e+01
  4 GLU  HB2     5 ASP  H       5.00  3.20e+01
  7 PRO  HA     10 CYS  H       5.00  3.20e+01
 26 CYS  H      26 CYS  HA      5.00  3.20e+01
 13 GLN  H      13 GLN  QB      5.60  3.20e+01
  2 THR  HB      4 GLU  H       5.00  3.20e+01
  5 ASP  HA      8 GLU  H       5.00  3.20e+01
 24 CYS  HA     25 VAL  QG1     6.00  3.20e+01
 24 CYS  HB2    25 VAL  QG1     6.00  3.20e+01
 24 CYS  HB1    25 VAL  QG1     6.00  3.20e+01
 18 LYS  HB1    25 VAL  QG1     6.00  3.20e+01
  7 PRO  HD2    17 ALA  QB      6.00  3.20e+01
 28 PRO  HB1    15 ALA  QB      6.00  3.20e+01
  2 THR  HA      2 THR  HB      3.00  3.20e+01
 14 ASN  H      15 ALA  QB      6.00  3.20e+01
 12 THR  HA     12 THR  HB      3.00  3.20e+01
  7 PRO  HG2    18 LYS  HG2     5.00  3.20e+01
  7 PRO  HG1    18 LYS  HG2     5.00  3.20e+01
 18 LYS  HB1    18 LYS  HG2     5.00  3.20e+01
 26 CYS  HA     15 ALA  QB      6.00  3.20e+01
 16 ARG  HB1    28 PRO  HD1     5.00  3.20e+01
 20 ASP  HB1    23 LYS  HG1     3.00  3.20e+01
 18 LYS  HB2    24 CYS  HB1     5.00  3.20e+01
 21 ASN  HB1    23 LYS  QD      5.60  3.20e+01
  6 CYS  HB1    20 ASP  HB1     3.50  3.20e+01
  6 CYS  HB1    20 ASP  HB2     6.00  3.20e+01
 13 GLN  H      14 ASN  H       3.00  3.20e+01
 27 GLU  H      17 ALA  HA      3.50  3.20e+01
 20 ASP  H      23 LYS  QD      2.50  3.20e+01
 14 ASN  H      13 GLN  QB      6.00  3.20e+01
 14 ASN  H      13 GLN  QG      6.00  3.20e+01
 15 ALA  H      13 GLN  QB      6.00  3.20e+01
 15 ALA  H      13 GLN  QG      6.00  3.20e+01
 12 THR  H      13 GLN  QB      6.00  3.20e+01
 12 THR  H      13 GLN  QG      6.00  3.20e+01
  5 ASP  H       4 GLU  HB2     3.00  3.20e+01
 12 THR  H       8 GLU  HA      5.00  3.20e+01
 13 GLN  QG     10 CYS  HA      5.00  3.20e+01
 13 GLN  QB     10 CYS  HA      6.00  3.20e+01  
  4 GLU  HA      7 PRO  HB1     3.00  3.20e+01
  4 GLU  HA      7 PRO  HB2     3.00  3.20e+01
 10 CYS  HB1    17 ALA  QB      3.50  3.20e+01
 10 CYS  HB2    17 ALA  QB      3.50  3.20e+01
 10 CYS  SG     26 CYS  SG      2.10  3.20e+01
 10 CYS  SG     26 CYS  CB      3.50  3.20e+01
 10 CYS  CB     26 CYS  SG      3.50  3.20e+01
  3 CYS  SG     19 CYS  SG      2.10  3.20e+01
  3 CYS  SG     19 CYS  CB      3.50  3.20e+01
  3 CYS  CB     19 CYS  SG      3.50  3.20e+01
  6 CYS  SG     24 CYS  SG      2.10  3.20e+01
  6 CYS  SG     24 CYS  CB      3.50  3.20e+01
  6 CYS  CB     24 CYS  SG      3.50  3.20e+01
 17 ALA  H       7 PRO  O       2.20  3.20e+01
 17 ALA  N       7 PRO  O       3.20  3.20e+01
 16 ARG  H      27 GLU  O       2.20  3.20e+01
 16 ARG  N      27 GLU  O       3.20  3.20e+01
 16 ARG  O      27 GLU  H       2.20  3.20e+01
 16 ARG  O      27 GLU  N       3.20  3.20e+01
  6 CYS  O      26 CYS  H       2.20  3.20e+01
  6 CYS  O      26 CYS  N       3.20  3.20e+01
 18 LYS  O      25 VAL  H       2.20  3.20e+01
 18 LYS  O      25 VAL  N       3.20  3.20e+01
 18 LYS  H      25 VAL  O       2.20  3.20e+01
 18 LYS  N      25 VAL  O       3.20  3.20e+01

#
# DIANA Lower Limit File for molecule named: BMPmol 
# created on Tue Dec  9 19:46:04 1997 
# from SYBYL/DIANA 
#
 21 ASN  H      21 ASN  HA      1.80  3.20e+01
 20 ASP  HA     21 ASN  H       1.80  3.20e+01
 27 GLU  H      27 GLU  HA      1.80  3.20e+01
 25 VAL  H      25 VAL  HA      1.80  3.20e+01
 26 CYS  HA     27 GLU  H       1.80  3.20e+01
 19 CYS  HA     24 CYS  H       1.80  3.20e+01
 19 CYS  H      19 CYS  HA      1.80  3.20e+01
  3 CYS  H       3 CYS  HA      1.80  3.20e+01
 18 LYS  H      18 LYS  HA      1.80  3.20e+01
 18 LYS  HA     19 CYS  H       1.80  3.20e+01
 16 ARG  H      16 ARG  HA      1.80  3.20e+01
  2 THR  HB      3 CYS  H       1.80  3.20e+01
  2 THR  HA      3 CYS  H       1.80  3.20e+01
 17 ALA  HA     18 LYS  H       1.80  3.20e+01
 21 ASN  H      21 ASN  HB1     1.80  3.20e+01
 21 ASN  H      21 ASN  HB2     1.80  3.20e+01
 26 CYS  HB2    27 GLU  H       1.80  3.20e+01
  9 HIS  HB1    10 CYS  H       1.80  3.20e+01
  9 HIS  HB2    10 CYS  H       1.80  3.20e+01
  3 CYS  H       3 CYS  HB2     1.80  3.20e+01
  3 CYS  H       3 CYS  HB1     1.80  3.20e+01
 19 CYS  H      19 CYS  HB1     1.80  3.20e+01
 19 CYS  H      19 CYS  HB2     1.80  3.20e+01
 19 CYS  HB2    24 CYS  H       1.80  3.20e+01
 24 CYS  H      24 CYS  HB1     1.80  3.20e+01
 10 CYS  H      10 CYS  HB1     1.80  3.20e+01
 24 CYS  H      24 CYS  HB2     1.80  3.20e+01
 10 CYS  H      10 CYS  HB2     1.80  3.20e+01
 25 VAL  H      25 VAL  QG1     1.80  3.20e+01
 25 VAL  H      25 VAL  HB      1.80  3.20e+01
 27 GLU  H      15 ALA  QB      1.80  3.20e+01
 27 GLU  H      27 GLU  HB2     1.80  3.20e+01
 27 GLU  H      27 GLU  HB1     1.80  3.20e+01
 27 GLU  H      27 GLU  QG      1.80  3.20e+01
 24 CYS  H      25 VAL  QG1     1.80  3.20e+01
 18 LYS  H      17 ALA  QB      1.80  3.20e+01
 16 ARG  H      15 ALA  QB      1.80  3.20e+01
  3 CYS  H       2 THR  QG2     1.80  3.20e+01
 18 LYS  HG1    19 CYS  H       1.80  3.20e+01
 16 ARG  H      16 ARG  QG      1.80  3.20e+01
 18 LYS  H      18 LYS  HB2     1.80  3.20e+01
 18 LYS  H      18 LYS  HB1     1.80  3.20e+01
 18 LYS  H      25 VAL  HB      1.80  3.20e+01
 19 CYS  H      18 LYS  QD      1.80  3.20e+01
 16 ARG  H      16 ARG  HB1     1.80  3.20e+01
 16 ARG  H      16 ARG  HB2     1.80  3.20e+01
 18 LYS  HB1    19 CYS  H       1.80  3.20e+01
  2 THR  H       2 THR  HA      1.80  3.20e+01
  1 ALA  HA      2 THR  H       1.80  3.20e+01
 25 VAL  HA     26 CYS  H       1.80  3.20e+01
 16 ARG  HA     17 ALA  H       1.80  3.20e+01
 20 ASP  H      23 LYS  HA      1.80  3.20e+01
 17 ALA  H      17 ALA  HA      1.80  3.20e+01
 28 PRO  HA     29 LYS  H       1.80  3.20e+01
 11 ALA  H      11 ALA  HA      1.80  3.20e+01
  9 HIS  H       9 HIS  HA      1.80  3.20e+01
 14 ASN  H      14 ASN  HA      1.80  3.20e+01
 11 ALA  HA     14 ASN  H       1.80  3.20e+01
  4 GLU  HA      5 ASP  H       1.80  3.20e+01
  8 GLU  H       8 GLU  HA      1.80  3.20e+01
  8 GLU  HA      9 HIS  H       1.80  3.20e+01
  8 GLU  HA     11 ALA  H       1.80  3.20e+01
 29 LYS  H      29 LYS  HA      1.80  3.20e+01
  4 GLU  H       4 GLU  HA      1.80  3.20e+01
  3 CYS  HA      4 GLU  H       1.80  3.20e+01
 22 ASP  H      22 ASP  HA      1.80  3.20e+01
 21 ASN  HA     22 ASP  H       1.80  3.20e+01
 12 THR  H      12 THR  HA      1.80  3.20e+01
 12 THR  H      12 THR  HB      1.80  3.20e+01
 12 THR  HB     15 ALA  H       1.80  3.20e+01
 14 ASN  HA     15 ALA  H       1.80  3.20e+01
 22 ASP  HA     23 LYS  H       1.80  3.20e+01
 23 LYS  H      23 LYS  HA      1.80  3.20e+01
  7 PRO  HD2     8 GLU  H       1.80  3.20e+01
  9 HIS  H       9 HIS  HB1     1.80  3.20e+01
  9 HIS  H       9 HIS  HB2     1.80  3.20e+01
  6 CYS  H       7 PRO  HD1     1.80  3.20e+01
  6 CYS  H       6 CYS  HB1     1.80  3.20e+01
  6 CYS  H       6 CYS  HB2     1.80  3.20e+01
 14 ASN  HB1    14 ASN  HD22    1.80  3.20e+01
 14 ASN  H      14 ASN  HB1     1.80  3.20e+01
 14 ASN  H      14 ASN  HB2     1.80  3.20e+01
  5 ASP  H       5 ASP  HB2     1.80  3.20e+01
  5 ASP  H       5 ASP  HB1     1.80  3.20e+01
  3 CYS  HB2     4 GLU  H       1.80  3.20e+01
  3 CYS  HB1     4 GLU  H       1.80  3.20e+01
 22 ASP  H      22 ASP  HB2     1.80  3.20e+01
 21 ASN  HB1    22 ASP  H       1.80  3.20e+01
 22 ASP  H      22 ASP  HB1     1.80  3.20e+01
 26 CYS  H      26 CYS  HB1     1.80  3.20e+01
 26 CYS  H      26 CYS  HB2     1.80  3.20e+01
 20 ASP  H      20 ASP  HB2     1.80  3.20e+01
 20 ASP  H      20 ASP  HB1     1.80  3.20e+01
  4 GLU  H       4 GLU  QG      1.80  3.20e+01
 10 CYS  HB1    11 ALA  H       1.80  3.20e+01
  8 GLU  H       8 GLU  HG1     1.80  3.20e+01
  8 GLU  H       8 GLU  HG2     1.80  3.20e+01
 21 ASN  HB2    21 ASN  HD21    1.80  3.20e+01
 26 CYS  H      25 VAL  QG2     1.80  3.20e+01
  2 THR  H       2 THR  QG2     1.80  3.20e+01
  2 THR  H       1 ALA  QB      1.80  3.20e+01
 17 ALA  H      17 ALA  QB      1.80  3.20e+01
  2 THR  HG22    4 GLU  H       1.80  3.20e+01
 15 ALA  H      15 ALA  QB      1.80  3.20e+01
 12 THR  H      12 THR  QG2     1.80  3.20e+01
 12 THR  H      11 ALA  QB      1.80  3.20e+01
 23 LYS  H      23 LYS  QB      1.80  3.20e+01
 23 LYS  H      23 LYS  HG1     1.80  3.20e+01
 13 GLN  HB1    15 ALA  H       1.80  3.20e+01
  7 PRO  HG1     8 GLU  H       1.80  3.20e+01
  8 GLU  H       8 GLU  HB1     1.80  3.20e+01
  8 GLU  H       8 GLU  HB2     1.80  3.20e+01
  7 PRO  HB1     8 GLU  H       1.80  3.20e+01
  8 GLU  HB2     9 HIS  H       1.80  3.20e+01
  8 GLU  HB1     9 HIS  H       1.80  3.20e+01
 28 PRO  HB1    29 LYS  H       1.80  3.20e+01
 29 LYS  H      29 LYS  HB2     1.80  3.20e+01
 28 PRO  HB2    29 LYS  H       1.80  3.20e+01
 29 LYS  H      29 LYS  HB1     1.80  3.20e+01
 29 LYS  H      29 LYS  HG2     1.80  3.20e+01
  4 GLU  H       4 GLU  HB2     1.80  3.20e+01
  4 GLU  H       4 GLU  HB1     1.80  3.20e+01
 17 ALA  H      16 ARG  QG      1.80  3.20e+01
 16 ARG  HG2    17 ALA  H       1.80  3.20e+01
 25 VAL  HB     26 CYS  H       1.80  3.20e+01
 11 ALA  H      11 ALA  QB      1.80  3.20e+01
 16 ARG  HE     16 ARG  QD      1.80  3.20e+01
  9 HIS  HB1     9 HIS  HD1     1.80  3.20e+01
 24 CYS  H      25 VAL  H       1.80  3.20e+01
 16 ARG  H      27 GLU  H       1.80  3.20e+01
  9 HIS  H      10 CYS  H       1.80  3.20e+01
 10 CYS  H      11 ALA  H       1.80  3.20e+01
  3 CYS  H       4 GLU  H       1.80  3.20e+01
 23 LYS  H      24 CYS  H       1.80  3.20e+01
 22 ASP  H      23 LYS  H       1.80  3.20e+01
 11 ALA  H      12 THR  H       1.80  3.20e+01
 14 ASN  H      15 ALA  H       1.80  3.20e+01
  4 GLU  H       5 ASP  H       1.80  3.20e+01
 13 GLN  HE21   13 GLN  HE22    1.80  3.20e+01
 21 ASN  HD21   21 ASN  HD22    1.80  3.20e+01
 14 ASN  HD21   14 ASN  HD22    1.80  3.20e+01
  8 GLU  H       9 HIS  H       1.80  3.20e+01
 21 ASN  H      22 ASP  H       1.80  3.20e+01
 12 THR  H      13 GLN  H       1.80  3.20e+01
 26 CYS  HB1    27 GLU  H       1.80  3.20e+01
 24 CYS  HA     25 VAL  H       1.80  3.20e+01
 19 CYS  HA     19 CYS  HB1     1.80  3.20e+01
 19 CYS  HA     19 CYS  HB2     1.80  3.20e+01
 26 CYS  HA     26 CYS  HB1     1.80  3.20e+01
 26 CYS  HA     26 CYS  HB2     1.80  3.20e+01
 27 GLU  HA     28 PRO  HD2     1.80  3.20e+01
 27 GLU  HA     28 PRO  HD1     1.80  3.20e+01
  6 CYS  HA      7 PRO  HD1     1.80  3.20e+01
 28 PRO  HA     28 PRO  HD2     1.80  3.20e+01
  7 PRO  HA      7 PRO  HD1     1.80  3.20e+01
  6 CYS  HA      9 HIS  HB1     1.80  3.20e+01
  6 CYS  HA      9 HIS  HB2     1.80  3.20e+01
  9 HIS  HA      9 HIS  HB1     1.80  3.20e+01
  9 HIS  HA      9 HIS  HB2     1.80  3.20e+01
  3 CYS  HA      6 CYS  HB1     1.80  3.20e+01
  3 CYS  HA      3 CYS  HB2     1.80  3.20e+01
  6 CYS  HB1     7 PRO  HD1     1.80  3.20e+01
 28 PRO  HD1    28 PRO  HD2     1.80  3.20e+01
  6 CYS  HB2     7 PRO  HD1     1.80  3.20e+01
  5 ASP  HA      5 ASP  HB1     1.80  3.20e+01
  5 ASP  HA      5 ASP  HB2     1.80  3.20e+01
 20 ASP  HA     20 ASP  HB1     1.80  3.20e+01
 20 ASP  HA     20 ASP  HB2     1.80  3.20e+01
 27 GLU  HA     27 GLU  QG      1.80  3.20e+01
 27 GLU  HA     27 GLU  HB1     1.80  3.20e+01
 27 GLU  HA     27 GLU  HB2     1.80  3.20e+01
 16 ARG  HA     16 ARG  QD      1.80  3.20e+01
 14 ASN  HA     14 ASN  HB1     1.80  3.20e+01
  3 CYS  HA      3 CYS  HB1     1.80  3.20e+01
  3 CYS  HA      6 CYS  HB2     1.80  3.20e+01
 21 ASN  HA     21 ASN  HB1     1.80  3.20e+01
 22 ASP  HA     22 ASP  HB1     1.80  3.20e+01
 20 ASP  HB1    22 ASP  HA      1.80  3.20e+01
 21 ASN  HA     21 ASN  HB2     1.80  3.20e+01
 14 ASN  HA     14 ASN  HB2     1.80  3.20e+01
 10 CYS  HA     10 CYS  HB1     1.80  3.20e+01
 10 CYS  HA     10 CYS  HB2     1.80  3.20e+01
 28 PRO  HA     28 PRO  HB1     1.80  3.20e+01
 13 GLN  HA     13 GLN  QG      1.80  3.20e+01
  8 GLU  HA      8 GLU  HG2     1.80  3.20e+01
  8 GLU  HA      8 GLU  HG1     1.80  3.20e+01
  4 GLU  HA      4 GLU  QG      1.80  3.20e+01
  7 PRO  HA      7 PRO  HB1     1.80  3.20e+01
 29 LYS  HA     16 ARG  QD      1.80  3.20e+01
 28 PRO  HB1    28 PRO  HD2     1.80  3.20e+01
  7 PRO  HB1     7 PRO  HD2     1.80  3.20e+01
  7 PRO  HG2     7 PRO  HD1     1.80  3.20e+01
 28 PRO  HG2    28 PRO  HD1     1.80  3.20e+01
 28 PRO  HG2    28 PRO  HD2     1.80  3.20e+01
 28 PRO  HG1    28 PRO  HD1     1.80  3.20e+01
 28 PRO  HB2    28 PRO  HD1     1.80  3.20e+01
  7 PRO  HB2     7 PRO  HD1     1.80  3.20e+01
 28 PRO  HG1    28 PRO  HD2     1.80  3.20e+01
  8 GLU  HA      8 GLU  HB2     1.80  3.20e+01
  8 GLU  HA      8 GLU  HB1     1.80  3.20e+01
  4 GLU  HA      4 GLU  HB2     1.80  3.20e+01
  7 PRO  HA      7 PRO  HB2     1.80  3.20e+01
 29 LYS  HA     29 LYS  HB1     1.80  3.20e+01
  8 GLU  HA     11 ALA  QB      1.80  3.20e+01
 25 VAL  HA     25 VAL  HB      1.80  3.20e+01
 28 PRO  HA     28 PRO  HG1     1.80  3.20e+01
 28 PRO  HA     28 PRO  HB2     1.80  3.20e+01
 13 GLN  HA     13 GLN  QB      1.80  3.20e+01
 23 LYS  HA     23 LYS  QB      1.80  3.20e+01
 18 LYS  HA     18 LYS  HB1     1.80  3.20e+01
 16 ARG  HA     16 ARG  HB1     1.80  3.20e+01
 16 ARG  HA     16 ARG  HB2     1.80  3.20e+01
 18 LYS  HA     18 LYS  HB2     1.80  3.20e+01
 11 ALA  HA     11 ALA  QB      1.80  3.20e+01
 16 ARG  HA     16 ARG  QG      1.80  3.20e+01
  1 ALA  HA      1 ALA  QB      1.80  3.20e+01
 12 THR  HA     12 THR  QG2     1.80  3.20e+01
 12 THR  HB     12 THR  QG2     1.80  3.20e+01
  7 PRO  HA     17 ALA  QB      1.80  3.20e+01
 18 LYS  HA     18 LYS  HG2     1.80  3.20e+01
  2 THR  HB      2 THR  QG2     1.80  3.20e+01
  2 THR  HA      2 THR  QG2     1.80  3.20e+01
 15 ALA  HA     15 ALA  QB      1.80  3.20e+01
 17 ALA  HA     17 ALA  QB      1.80  3.20e+01
 16 ARG  HB1    16 ARG  QD      1.80  3.20e+01
 16 ARG  HB2    16 ARG  QD      1.80  3.20e+01
 16 ARG  QG     16 ARG  QD      1.80  3.20e+01
  6 CYS  HB2    17 ALA  QB      1.80  3.20e+01
 18 LYS  HG2    26 CYS  HB1     1.80  3.20e+01
 18 LYS  HG2    26 CYS  HB2     1.80  3.20e+01
 10 CYS  HB1    17 ALA  QB      1.80  3.20e+01
 10 CYS  HB2    17 ALA  QB      1.80  3.20e+01
 25 VAL  HB     25 VAL  QG2     1.80  3.20e+01
  7 PRO  HB2    17 ALA  QB      1.80  3.20e+01
 27 GLU  HB2    27 GLU  HB1     1.80  3.20e+01
  7 PRO  HG1     7 PRO  HG2     1.80  3.20e+01
  7 PRO  HB2     7 PRO  HG2     1.80  3.20e+01
 27 GLU  HB2    27 GLU  QG      1.80  3.20e+01
  7 PRO  HB2     7 PRO  HB1     1.80  3.20e+01
 28 PRO  HB1    28 PRO  HG1     1.80  3.20e+01
  4 GLU  HB2     4 GLU  QG      1.80  3.20e+01
  4 GLU  HB1     4 GLU  QG      1.80  3.20e+01
  8 GLU  HB1     8 GLU  HG1     1.80  3.20e+01
  8 GLU  HB1     8 GLU  HG2     1.80  3.20e+01
  8 GLU  HB2     8 GLU  HG2     1.80  3.20e+01
  8 GLU  HB2     8 GLU  HG1     1.80  3.20e+01
  7 PRO  HB1     7 PRO  HG2     1.80  3.20e+01
 27 GLU  HB1    27 GLU  QG      1.80  3.20e+01
 10 CYS  HB2    10 CYS  HB1     1.80  3.20e+01
  5 ASP  HB2     4 GLU  QG      1.80  3.20e+01
 20 ASP  HB2    20 ASP  HB1     1.80  3.20e+01
 26 CYS  HB2    26 CYS  HB1     1.80  3.20e+01
 21 ASN  HB2    21 ASN  HB1     1.80  3.20e+01
 14 ASN  HB2    14 ASN  HB1     1.80  3.20e+01
 22 ASP  HB2    22 ASP  HB1     1.80  3.20e+01
 19 CYS  HB2    19 CYS  HB1     1.80  3.20e+01
 18 LYS  HB2    18 LYS  HB1     1.80  3.20e+01
 23 LYS  HG2    23 LYS  QD      1.80  3.20e+01
 23 LYS  HG2    23 LYS  QB      1.80  3.20e+01
 29 LYS  HG2    29 LYS  QD      1.80  3.20e+01
 29 LYS  HG1    29 LYS  QD      1.80  3.20e+01
 29 LYS  HB1    29 LYS  QD      1.80  3.20e+01
 16 ARG  HB2    16 ARG  HB1     1.80  3.20e+01
  8 GLU  HB2     8 GLU  HB1     1.80  3.20e+01
 28 PRO  HB2    28 PRO  HB1     1.80  3.20e+01
  6 CYS  HB2     6 CYS  HB1     1.80  3.20e+01
  3 CYS  HB2     6 CYS  HB2     1.80  3.20e+01
 22 ASP  HA     22 ASP  HB2     1.80  3.20e+01
  6 CYS  HA      6 CYS  HB2     1.80  3.20e+01
 17 ALA  HA     26 CYS  HA      1.80  3.20e+01
 19 CYS  HA     20 ASP  HA      1.80  3.20e+01
 25 VAL  HA     25 VAL  QG2     1.80  3.20e+01
 20 ASP  H      20 ASP  HA      1.80  3.20e+01
  5 ASP  H       5 ASP  HA      1.80  3.20e+01
  4 GLU  HB2     5 ASP  H       1.80  3.20e+01
  7 PRO  HA     10 CYS  H       1.80  3.20e+01
 26 CYS  H      26 CYS  HA      1.80  3.20e+01
 13 GLN  H      13 GLN  QB      1.80  3.20e+01
  2 THR  HB      4 GLU  H       1.80  3.20e+01
  5 ASP  HA      8 GLU  H       1.80  3.20e+01
 24 CYS  HA     25 VAL  QG1     1.80  3.20e+01
 24 CYS  HB2    25 VAL  QG1     1.80  3.20e+01
 24 CYS  HB1    25 VAL  QG1     1.80  3.20e+01
 18 LYS  HB1    25 VAL  QG1     1.80  3.20e+01
  7 PRO  HD2    17 ALA  QB      1.80  3.20e+01
 28 PRO  HB1    17 ALA  QB      1.80  3.20e+01
  2 THR  HA      2 THR  HB      1.80  3.20e+01
 14 ASN  H      15 ALA  QB      1.80  3.20e+01
 12 THR  HA     12 THR  HB      1.80  3.20e+01
  7 PRO  HG2    18 LYS  HG2     1.80  3.20e+01
  7 PRO  HG1    18 LYS  HG2     1.80  3.20e+01
 18 LYS  HB1    18 LYS  HG2     1.80  3.20e+01
 26 CYS  HA     15 ALA  QB      1.80  3.20e+01
 28 PRO  HB1    15 ALA  QB      1.80  3.20e+01
 16 ARG  HB1    28 PRO  HD1     1.80  3.20e+01
  6 CYS  HB1    23 LYS  HG1     1.80  3.20e+01
 20 ASP  HB1    23 LYS  HG1     1.80  3.20e+01
 18 LYS  HB2    24 CYS  HB1     1.80  3.20e+01
 21 ASN  HB1    23 LYS  QD      1.80  3.20e+01
  6 CYS  HB1    20 ASP  HB1     1.80  3.20e+01
  6 CYS  HB1    20 ASP  HB2     1.80  3.20e+01
 13 GLN  H      14 ASN  H       1.80  3.20e+01
 27 GLU  H      17 ALA  HA      1.80  3.20e+01
 20 ASP  H      23 LYS  QD      1.80  3.20e+01
 14 ASN  H      13 GLN  QB      1.80  3.20e+01
 14 ASN  H      13 GLN  QG      1.80  3.20e+01
 15 ALA  H      13 GLN  QB      1.80  3.20e+01
 15 ALA  H      13 GLN  QG      1.80  3.20e+01
 12 THR  H      13 GLN  QB      1.80  3.20e+01
 12 THR  H      13 GLN  QG      1.80  3.20e+01
  5 ASP  H       4 GLU  HB2     1.80  3.20e+01
 12 THR  H       8 GLU  HA      1.80  3.20e+01
 13 GLN  QG     10 CYS  HA      1.80  3.20e+01
 13 GLN  QB     10 CYS  HA      1.80  3.20e+01  
  4 GLU  HA      7 PRO  HB1     1.80  3.20e+01
  4 GLU  HA      7 PRO  HB2     1.80  3.20e+01
 10 CYS  HB1    17 ALA  QB      1.80  3.20e+01
 10 CYS  HB2    17 ALA  QB      1.80  3.20e+01
 10 CYS  SG     26 CYS  SG      1.80  3.20e+01
 10 CYS  SG     26 CYS  CB      1.80  3.20e+01
 10 CYS  CB     26 CYS  SG      1.80  3.20e+01
  3 CYS  SG     19 CYS  SG      1.80  3.20e+01
  3 CYS  SG     19 CYS  CB      1.80  3.20e+01
  3 CYS  CB     19 CYS  SG      1.80  3.20e+01
  6 CYS  SG     24 CYS  SG      1.80  3.20e+01
  6 CYS  SG     24 CYS  CB      1.80  3.20e+01
  6 CYS  CB     24 CYS  SG      1.80  3.20e+01
 17 ALA  H       7 PRO  O       1.80  3.20e+01
 17 ALA  N       7 PRO  O       1.80  3.20e+01
 16 ARG  H      27 GLU  O       1.80  3.20e+01
 16 ARG  N      27 GLU  O       1.80  3.20e+01
 16 ARG  O      27 GLU  H       1.80  3.20e+01
 16 ARG  O      27 GLU  N       1.80  3.20e+01
  6 CYS  O      26 CYS  H       1.80  3.20e+01
  6 CYS  O      26 CYS  N       1.80  3.20e+01
 18 LYS  O      25 VAL  H       1.80  3.20e+01
 18 LYS  O      25 VAL  N       1.80  3.20e+01
 18 LYS  H      25 VAL  O       1.80  3.20e+01
 18 LYS  N      25 VAL  O       1.80  3.20e+01

   3 CYS   PHI    -100.0   -40.0 
   4 GLU   PHI     -80.0   -40.0     
   5 ASP   PHI    -100.0   -60.0
   8 GLU   PHI     -80.0   -40.0
   9 HIS   PHI     -80.0   -40.0   
  11 ALA   PHI     -60.0   -50.0
  12 THR   PHI     -60.0   -50.0
  14 ASN   PHI     -80.0   -40.0 
  15 ALA   PHI    -135.0  -105.0
  16 ARG   PHI    -150.0   -90.0
  18 LYS   PHI    -180.0  -160.0
  19 CYS   PHI    -180.0  -160.0
  20 ASP   PHI     -80.0   -40.0
  21 ASN   PHI     -80.0   -40.0  
  22 ASP   PHI     -80.0   -40.0
  23 LYS   PHI    -135.0  -105.0
  24 CYS   PHI    -135.0  -105.0
  25 VAL   PHI    -135.0  -105.0
  26 CYS   PHI    -150.0   -90.0
  27 GLU   PHI    -150.0   -90.0
  29 LYS   PHI     -80.0   -40.0

# stereospecific assignments of scorpion toxin BmP01

# stereospecific assignments from NOE intensity
   6 CYS   HB2
  10 CYS   HB2
  14 ASN   HB2
  20 ASP   HB2
  21 ASN   HB2
  26 CYS   HB2
  27 GLU   HB2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          1H        ALA   1  -6.242 -10.499  -0.371
    2    HA   ALA   1           HA       ALA   1  -8.510 -10.876   0.158
    3   1HB   ALA   1          HB1       ALA   1  -9.181 -10.214   2.460
    4   2HB   ALA   1          HB2       ALA   1  -7.629  -9.917   2.870
    5   3HB   ALA   1          HB3       ALA   1  -8.108 -11.442   2.538
    6    H    THR   2           H        THR   2  -8.420  -9.227  -1.533
    7    HA   THR   2           HA       THR   2  -8.556  -7.157  -2.406
    8    HB   THR   2           HB       THR   2 -10.186  -5.684  -1.250
    9    HG1  THR   2           HG1      THR   2 -11.043  -6.426   0.790
   10   1HG2  THR   2          1HG2      THR   2 -11.971  -7.365  -1.213
   11   2HG2  THR   2          2HG2      THR   2 -10.887  -8.586  -1.161
   12   3HG2  THR   2          3HG2      THR   2 -10.983  -7.635  -2.484
   13    H    CYS   3           H        CYS   3  -5.932  -7.437  -1.202
   14    HA   CYS   3           HA       CYS   3  -5.644  -4.963   0.265
   15   1HB   CYS   3          HB1       CYS   3  -3.221  -5.393  -0.159
   16   2HB   CYS   3          HB2       CYS   3  -4.001  -6.438   0.825
   17    H    GLU   4           H        GLU   4  -6.754  -5.463  -2.790
   18    HA   GLU   4           HA       GLU   4  -5.563  -3.310  -4.264
   19   1HB   GLU   4          HB1       GLU   4  -7.085  -4.749  -5.489
   20   2HB   GLU   4          HB2       GLU   4  -8.247  -4.721  -4.342
   21   1HG   GLU   4          HG1       GLU   4  -8.406  -3.690  -6.530
   22   2HG   GLU   4          HG2       GLU   4  -8.668  -2.614  -5.331
   23    H    ASP   5           H        ASP   5  -7.469  -3.323  -1.201
   24    HA   ASP   5           HA       ASP   5  -8.360  -0.590  -1.970
   25   1HB   ASP   5          HB1       ASP   5  -9.957  -1.989  -0.591
   26   2HB   ASP   5          HB2       ASP   5  -8.921  -1.910   0.669
   27    H    CYS   6           H        CYS   6  -5.514  -2.088  -0.995
   28    HA   CYS   6           HA       CYS   6  -4.891  -0.082   1.082
   29   1HB   CYS   6          HB1       CYS   6  -3.256  -2.271  -0.042
   30   2HB   CYS   6          HB2       CYS   6  -2.970  -1.424   1.324
   31    HA   PRO   7           HA       PRO   7  -1.359  -0.146  -2.220
   32   1HB   PRO   7          HB1       PRO   7  -2.611   0.225  -4.815
   33   2HB   PRO   7          HB2       PRO   7  -1.719  -1.051  -4.321
   34   1HG   PRO   7          HG1       PRO   7  -3.911   1.018  -4.496
   35   2HG   PRO   7          HG2       PRO   7  -4.257  -0.463  -5.092
   36   1HD   PRO   7          HD1       PRO   7  -4.810   0.381  -3.536
   37   2HD   PRO   7          HD2       PRO   7  -5.252  -0.859  -2.568
   38    H    GLU   8           H        GLU   8  -3.921   2.119  -1.984
   39    HA   GLU   8           HA       GLU   8  -2.287   4.234  -3.237
   40   1HB   GLU   8          HB1       GLU   8  -5.029   4.098  -2.076
   41   2HB   GLU   8          HB2       GLU   8  -4.339   5.487  -2.587
   42   1HG   GLU   8          HG1       GLU   8  -4.329   4.339  -4.819
   43   2HG   GLU   8          HG2       GLU   8  -4.924   3.001  -4.096
   44    H    HIS   9           H        HIS   9  -2.695   2.604  -0.150
   45    HA   HIS   9           HA       HIS   9  -3.025   5.152   1.212
   46   1HB   HIS   9          HB1       HIS   9  -4.225   3.178   1.955
   47   2HB   HIS   9          HB2       HIS   9  -2.838   2.388   2.300
   48    HD1  HIS   9           HD1      HIS   9  -1.323   4.287   4.177
   49    HD2  HIS   9           HD2      HIS   9  -5.367   3.754   4.151
   50    HE1  HIS   9           HE1      HIS   9  -2.291   5.119   6.453
   51    HE2  HIS   9           HE2      HIS   9  -4.672   4.995   6.294
   52    H    CYS  10           H        CYS  10  -0.149   3.209   0.279
   53    HA   CYS  10           HA       CYS  10   1.207   4.721   2.441
   54   1HB   CYS  10          HB1       CYS  10   1.785   2.338   1.289
   55   2HB   CYS  10          HB2       CYS  10   2.922   3.371   0.733
   56    H    ALA  11           H        ALA  11  -0.065   5.259  -0.609
   57    HA   ALA  11           HA       ALA  11   2.144   6.858  -1.648
   58   1HB   ALA  11          HB1       ALA  11   0.407   7.701  -3.103
   59   2HB   ALA  11          HB2       ALA  11  -0.780   6.982  -2.242
   60   3HB   ALA  11          HB3       ALA  11   0.284   6.073  -3.082
   61    H    THR  12           H        THR  12  -0.243   7.003   0.890
   62    HA   THR  12           HA       THR  12  -0.707   9.709   1.138
   63    HB   THR  12           HB       THR  12  -0.018   7.533   3.185
   64    HG1  THR  12           HG1      THR  12  -2.324   7.236   3.146
   65   1HG2  THR  12          1HG2      THR  12  -1.412   8.920   4.646
   66   2HG2  THR  12          2HG2      THR  12  -1.598  10.052   3.485
   67   3HG2  THR  12          3HG2      THR  12  -0.125   9.786   4.136
   68    H    GLN  13           H        GLN  13   2.402   7.805   1.762
   69    HA   GLN  13           HA       GLN  13   3.498  10.428   2.675
   70   1HB   GLN  13          HB1       GLN  13   4.312   7.594   3.290
   71   2HB   GLN  13          HB2       GLN  13   5.145   8.902   3.801
   72   1HG   GLN  13          HG1       GLN  13   2.344   8.496   4.441
   73   2HG   GLN  13          HG2       GLN  13   3.517   7.923   5.423
   74   1HE2  GLN  13          1HE2      GLN  13   1.504   9.831   6.411
   75   2HE2  GLN  13          2HE2      GLN  13   2.175  11.416   6.453
   76    H    ASN  14           H        ASN  14   4.772   7.227   1.134
   77    HA   ASN  14           HA       ASN  14   6.554   9.151  -0.347
   78   1HB   ASN  14          HB1       ASN  14   7.018   6.384   0.552
   79   2HB   ASN  14          HB2       ASN  14   8.044   7.264  -0.364
   80   1HD2  ASN  14          1HD2      ASN  14   9.407   6.229   1.783
   81   2HD2  ASN  14          2HD2      ASN  14   9.493   7.352   3.091
   82    H    ALA  15           H        ALA  15   4.107   6.561  -0.699
   83    HA   ALA  15           HA       ALA  15   5.895   5.412  -2.748
   84   1HB   ALA  15          HB1       ALA  15   5.607   3.382  -1.435
   85   2HB   ALA  15          HB2       ALA  15   4.723   4.180  -0.319
   86   3HB   ALA  15          HB3       ALA  15   6.295   4.560  -0.539
   87    H    ARG  16           H        ARG  16   4.328   2.828  -2.697
   88    HA   ARG  16           HA       ARG  16   1.667   3.820  -3.248
   89   1HB   ARG  16          HB1       ARG  16   2.420   3.676  -5.304
   90   2HB   ARG  16          HB2       ARG  16   3.389   2.390  -5.033
   91   1HG   ARG  16          HG1       ARG  16   0.774   1.536  -5.409
   92   2HG   ARG  16          HG2       ARG  16   0.365   3.089  -5.109
   93   1HD   ARG  16          HD1       ARG  16   2.101   2.564  -7.298
   94   2HD   ARG  16          HD2       ARG  16   0.993   1.365  -7.244
   95    HE   ARG  16           HE       ARG  16  -0.777   3.126  -7.111
   96   1HH1  ARG  16          2HH1      ARG  16   1.316   0.930  -9.165
   97   2HH1  ARG  16          1HH1      ARG  16   0.180   0.811 -10.453
   98   1HH2  ARG  16          2HH2      ARG  16  -2.323   2.975  -8.966
   99   2HH2  ARG  16          1HH2      ARG  16  -1.945   2.001 -10.340
  100    H    ALA  17           H        ALA  17   0.869   0.560  -3.557
  101    HA   ALA  17           HA       ALA  17   2.369  -0.225  -1.159
  102   1HB   ALA  17          HB1       ALA  17   0.457  -0.259   0.279
  103   2HB   ALA  17          HB2       ALA  17  -0.452   0.508  -0.839
  104   3HB   ALA  17          HB3       ALA  17   0.849   1.254  -0.194
  105    H    LYS  18           H        LYS  18   1.602  -2.194  -0.018
  106    HA   LYS  18           HA       LYS  18   0.134  -4.396  -1.165
  107   1HB   LYS  18          HB1       LYS  18   3.161  -4.461  -1.289
  108   2HB   LYS  18          HB2       LYS  18   2.138  -5.615  -1.827
  109   1HG   LYS  18          HG1       LYS  18   1.893  -3.478  -3.440
  110   2HG   LYS  18          HG2       LYS  18   2.934  -4.705  -3.714
  111   1HD   LYS  18          HD1       LYS  18   0.437  -5.788  -3.201
  112   2HD   LYS  18          HD2       LYS  18   0.649  -5.088  -4.661
  113   1HE   LYS  18          HE1       LYS  18   1.209  -7.423  -4.584
  114   2HE   LYS  18          HE2       LYS  18   2.477  -6.515  -5.070
  115   1HZ   LYS  18          HZ1       LYS  18   3.072  -8.210  -3.595
  116   2HZ   LYS  18          HZ2       LYS  18   3.316  -6.719  -2.855
  117   3HZ   LYS  18          HZ3       LYS  18   1.956  -7.638  -2.475
  118    H    CYS  19           H        CYS  19   1.497  -5.502   2.285
  119    HA   CYS  19           HA       CYS  19  -0.974  -5.695   1.204
  120   1HB   CYS  19          HB1       CYS  19  -0.068  -6.606  -0.932
  121   2HB   CYS  19          HB2       CYS  19   0.883  -7.684  -0.158
  122    H    ASP  20           H        ASP  20  -0.328  -5.479   3.720
  123    HA   ASP  20           HA       ASP  20   1.651  -7.315   4.687
  124   1HB   ASP  20          HB1       ASP  20   1.710  -5.324   5.485
  125   2HB   ASP  20          HB2       ASP  20   0.092  -5.164   5.639
  126    H    ASN  21           H        ASN  21   0.090  -7.735   7.579
  127    HA   ASN  21           HA       ASN  21  -0.524 -10.371   6.797
  128   1HB   ASN  21          HB1       ASN  21  -1.243 -10.725   8.899
  129   2HB   ASN  21          HB2       ASN  21  -0.108  -9.572   9.123
  130   1HD2  ASN  21          1HD2      ASN  21  -2.267  -9.835  11.155
  131   2HD2  ASN  21          2HD2      ASN  21  -2.776  -8.195  11.294
  132    H    ASP  22           H        ASP  22  -2.545  -7.342   7.075
  133    HA   ASP  22           HA       ASP  22  -3.817  -8.285   4.811
  134   1HB   ASP  22          HB1       ASP  22  -4.965  -9.652   6.697
  135   2HB   ASP  22          HB2       ASP  22  -5.890  -8.313   6.841
  136    H    LYS  23           H        LYS  23  -2.479  -5.913   6.113
  137    HA   LYS  23           HA       LYS  23  -4.389  -3.871   5.175
  138   1HB   LYS  23          HB1       LYS  23  -3.943  -2.810   7.600
  139   2HB   LYS  23          HB2       LYS  23  -5.143  -3.907   7.455
  140   1HG   LYS  23          HG1       LYS  23  -3.435  -3.617   9.318
  141   2HG   LYS  23          HG2       LYS  23  -3.915  -5.127   8.921
  142   1HD   LYS  23          HD1       LYS  23  -1.471  -3.999   7.950
  143   2HD   LYS  23          HD2       LYS  23  -1.952  -2.928   9.086
  144   1HE   LYS  23          HE1       LYS  23  -1.727  -4.099  10.897
  145   2HE   LYS  23          HE2       LYS  23  -1.758  -5.532  10.114
  146   1HZ   LYS  23          HZ1       LYS  23   0.367  -4.819  11.059
  147   2HZ   LYS  23          HZ2       LYS  23   0.495  -4.756   9.398
  148   3HZ   LYS  23          HZ3       LYS  23   0.207  -3.356  10.257
  149    H    CYS  24           H        CYS  24  -2.891  -2.192   4.086
  150    HA   CYS  24           HA       CYS  24  -0.419  -3.799   3.884
  151   1HB   CYS  24          HB1       CYS  24  -1.788  -2.098   1.933
  152   2HB   CYS  24          HB2       CYS  24  -0.667  -3.249   1.638
  153    H    VAL  25           H        VAL  25   1.538  -2.611   2.517
  154    HA   VAL  25           HA       VAL  25   1.597   0.209   3.164
  155    HB   VAL  25           HB       VAL  25   2.168  -0.810   5.293
  156   1HG1  VAL  25          1HG1      VAL  25   4.239  -2.123   5.450
  157   2HG1  VAL  25          2HG1      VAL  25   4.444  -2.076   3.830
  158   3HG1  VAL  25          3HG1      VAL  25   3.169  -2.871   4.470
  159   1HG2  VAL  25          1HG2      VAL  25   4.278   0.346   5.628
  160   2HG2  VAL  25          2HG2      VAL  25   3.266   1.263   4.733
  161   3HG2  VAL  25          3HG2      VAL  25   4.515   0.490   4.018
  162    H    CYS  26           H        CYS  26   4.978  -0.173   2.577
  163    HA   CYS  26           HA       CYS  26   3.941   1.213   0.309
  164   1HB   CYS  26          HB1       CYS  26   6.703   0.905   1.376
  165   2HB   CYS  26          HB2       CYS  26   6.215   2.098   0.373
  166    H    GLU  27           H        GLU  27   4.791   1.467  -1.884
  167    HA   GLU  27           HA       GLU  27   6.773  -0.562  -2.933
  168   1HB   GLU  27          HB1       GLU  27   4.346   0.638  -4.351
  169   2HB   GLU  27          HB2       GLU  27   5.685  -0.217  -5.152
  170   1HG   GLU  27          HG1       GLU  27   4.973  -2.274  -4.026
  171   2HG   GLU  27          HG2       GLU  27   3.782  -1.499  -3.221
  172    HA   PRO  28           HA       PRO  28   8.314   3.655  -3.925
  173   1HB   PRO  28          HB1       PRO  28   9.703   3.258  -6.168
  174   2HB   PRO  28          HB2       PRO  28  10.251   2.744  -4.717
  175   1HG   PRO  28          HG1       PRO  28   8.531   1.732  -7.032
  176   2HG   PRO  28          HG2       PRO  28   9.908   0.949  -6.636
  177   1HD   PRO  28          HD1       PRO  28   7.742   0.243  -5.917
  178   2HD   PRO  28          HD2       PRO  28   8.648  -0.125  -4.609
  179    H    LYS  29           H        LYS  29   8.157   5.452  -5.604
  180    HA   LYS  29           HA       LYS  29   5.467   5.298  -6.663
  181   1HB   LYS  29          HB1       LYS  29   5.767   7.626  -6.668
  182   2HB   LYS  29          HB2       LYS  29   6.940   7.268  -5.590
  183   1HG   LYS  29          HG1       LYS  29   8.721   7.035  -6.355
  184   2HG   LYS  29          HG2       LYS  29   8.239   7.466  -7.855
  185   1HD   LYS  29          HD1       LYS  29   8.271   8.800  -5.174
  186   2HD   LYS  29          HD2       LYS  29   9.424   9.104  -6.290
  187   1HE   LYS  29          HE1       LYS  29   7.525  10.304  -7.470
  188   2HE   LYS  29          HE2       LYS  29   6.544   9.848  -6.246
  189   1HZ   LYS  29          HZ1       LYS  29   7.259  12.038  -5.930
  190   2HZ   LYS  29          HZ2       LYS  29   7.853  11.032  -4.719
  191   3HZ   LYS  29          HZ3       LYS  29   8.857  11.514  -5.979
  Start of MODEL    2
    1   1H    ALA   1          1H        ALA   1 -10.893 -10.083   0.427
    2    HA   ALA   1           HA       ALA   1 -10.313  -7.872   1.220
    3   1HB   ALA   1          HB1       ALA   1  -8.184  -7.637   2.308
    4   2HB   ALA   1          HB2       ALA   1  -7.948  -9.251   2.361
    5   3HB   ALA   1          HB3       ALA   1  -9.155  -8.574   3.227
    6    H    THR   2           H        THR   2  -8.136  -6.682   0.206
    7    HA   THR   2           HA       THR   2  -6.806  -8.280  -1.812
    8    HB   THR   2           HB       THR   2  -9.059  -8.135  -2.792
    9    HG1  THR   2           HG1      THR   2  -8.438  -7.018  -4.749
   10   1HG2  THR   2          1HG2      THR   2 -10.013  -5.937  -3.266
   11   2HG2  THR   2          2HG2      THR   2  -8.798  -5.181  -2.480
   12   3HG2  THR   2          3HG2      THR   2  -9.840  -6.129  -1.655
   13    H    CYS   3           H        CYS   3  -4.853  -7.016  -2.421
   14    HA   CYS   3           HA       CYS   3  -4.854  -4.509  -0.983
   15   1HB   CYS   3          HB1       CYS   3  -2.406  -4.530  -1.362
   16   2HB   CYS   3          HB2       CYS   3  -2.930  -5.806  -0.487
   17    H    GLU   4           H        GLU   4  -6.610  -4.605  -3.296
   18    HA   GLU   4           HA       GLU   4  -5.212  -2.544  -4.944
   19   1HB   GLU   4          HB1       GLU   4  -7.100  -2.652  -6.414
   20   2HB   GLU   4          HB2       GLU   4  -6.748  -4.224  -6.146
   21   1HG   GLU   4          HG1       GLU   4  -8.244  -4.880  -4.943
   22   2HG   GLU   4          HG2       GLU   4  -8.589  -3.407  -4.327
   23    H    ASP   5           H        ASP   5  -7.047  -2.860  -2.007
   24    HA   ASP   5           HA       ASP   5  -8.407  -0.223  -2.529
   25   1HB   ASP   5          HB1       ASP   5  -9.701  -1.936  -1.258
   26   2HB   ASP   5          HB2       ASP   5  -8.513  -2.068  -0.145
   27    H    CYS   6           H        CYS   6  -5.650  -1.892  -1.293
   28    HA   CYS   6           HA       CYS   6  -5.124  -0.050   0.855
   29   1HB   CYS   6          HB1       CYS   6  -3.540  -2.073  -0.488
   30   2HB   CYS   6          HB2       CYS   6  -3.327  -1.464   1.013
   31    HA   PRO   7           HA       PRO   7  -1.323   0.399  -2.107
   32   1HB   PRO   7          HB1       PRO   7  -2.256   0.825  -4.783
   33   2HB   PRO   7          HB2       PRO   7  -1.373  -0.439  -4.244
   34   1HG   PRO   7          HG1       PRO   7  -3.745   1.415  -4.554
   35   2HG   PRO   7          HG2       PRO   7  -3.848  -0.049  -5.270
   36   1HD   PRO   7          HD1       PRO   7  -4.669   0.628  -3.679
   37   2HD   PRO   7          HD2       PRO   7  -4.988  -0.751  -2.866
   38    H    GLU   8           H        GLU   8  -4.167   2.317  -1.997
   39    HA   GLU   8           HA       GLU   8  -2.766   4.673  -3.033
   40   1HB   GLU   8          HB1       GLU   8  -5.478   4.002  -2.106
   41   2HB   GLU   8          HB2       GLU   8  -4.998   5.562  -2.030
   42   1HG   GLU   8          HG1       GLU   8  -4.700   4.350  -4.564
   43   2HG   GLU   8          HG2       GLU   8  -5.496   3.155  -3.786
   44    H    HIS   9           H        HIS   9  -2.994   2.808  -0.083
   45    HA   HIS   9           HA       HIS   9  -3.482   5.118   1.596
   46   1HB   HIS   9          HB1       HIS   9  -4.129   2.689   1.991
   47   2HB   HIS   9          HB2       HIS   9  -2.562   2.358   2.315
   48    HD1  HIS   9           HD1      HIS   9  -2.498   5.418   3.877
   49    HD2  HIS   9           HD2      HIS   9  -3.873   1.651   4.710
   50    HE1  HIS   9           HE1      HIS   9  -2.683   5.200   6.442
   51    HE2  HIS   9           HE2      HIS   9  -3.578   2.988   6.912
   52    H    CYS  10           H        CYS  10  -0.543   2.891   1.069
   53    HA   CYS  10           HA       CYS  10   0.930   4.812   2.729
   54   1HB   CYS  10          HB1       CYS  10   1.689   2.701   3.042
   55   2HB   CYS  10          HB2       CYS  10   1.576   2.264   1.472
   56    H    ALA  11           H        ALA  11  -0.320   4.814  -0.376
   57    HA   ALA  11           HA       ALA  11   1.996   5.881  -1.693
   58   1HB   ALA  11          HB1       ALA  11   0.344   6.578  -3.312
   59   2HB   ALA  11          HB2       ALA  11  -0.893   6.206  -2.315
   60   3HB   ALA  11          HB3       ALA  11   0.048   5.019  -2.926
   61    H    THR  12           H        THR  12  -0.317   6.960   0.705
   62    HA   THR  12           HA       THR  12  -0.593   9.624  -0.032
   63    HB   THR  12           HB       THR  12  -0.287   8.226   2.687
   64    HG1  THR  12           HG1      THR  12  -2.599   8.035   2.481
   65   1HG2  THR  12          1HG2      THR  12  -1.698  10.085   3.442
   66   2HG2  THR  12          2HG2      THR  12  -1.681  10.770   1.961
   67   3HG2  THR  12          3HG2      THR  12  -0.302  10.670   2.829
   68    H    GLN  13           H        GLN  13   2.100   8.021   1.966
   69    HA   GLN  13           HA       GLN  13   3.204  10.795   2.160
   70   1HB   GLN  13          HB1       GLN  13   3.789   8.325   3.738
   71   2HB   GLN  13          HB2       GLN  13   4.356   9.823   4.053
   72   1HG   GLN  13          HG1       GLN  13   2.403  10.819   4.550
   73   2HG   GLN  13          HG2       GLN  13   1.555   9.459   4.238
   74   1HE2  GLN  13          1HE2      GLN  13   3.418   7.491   5.569
   75   2HE2  GLN  13          2HE2      GLN  13   3.201   7.806   7.248
   76    H    ASN  14           H        ASN  14   4.071   7.299   1.261
   77    HA   ASN  14           HA       ASN  14   6.719   8.573   0.723
   78   1HB   ASN  14          HB1       ASN  14   6.595   6.967   2.554
   79   2HB   ASN  14          HB2       ASN  14   6.022   5.808   1.556
   80   1HD2  ASN  14          1HD2      ASN  14   8.972   7.438   2.624
   81   2HD2  ASN  14          2HD2      ASN  14  10.046   6.515   1.638
   82    H    ALA  15           H        ALA  15   4.095   6.334  -0.684
   83    HA   ALA  15           HA       ALA  15   5.984   6.010  -2.875
   84   1HB   ALA  15          HB1       ALA  15   6.166   3.633  -2.329
   85   2HB   ALA  15          HB2       ALA  15   5.319   3.864  -0.954
   86   3HB   ALA  15          HB3       ALA  15   6.772   4.583  -1.147
   87    H    ARG  16           H        ARG  16   4.534   3.121  -3.314
   88    HA   ARG  16           HA       ARG  16   1.936   4.237  -4.016
   89   1HB   ARG  16          HB1       ARG  16   3.371   3.132  -5.874
   90   2HB   ARG  16          HB2       ARG  16   3.057   1.696  -5.162
   91   1HG   ARG  16          HG1       ARG  16   1.429   1.438  -6.534
   92   2HG   ARG  16          HG2       ARG  16   0.612   2.314  -5.424
   93   1HD   ARG  16          HD1       ARG  16   0.347   4.122  -5.906
   94   2HD   ARG  16          HD2       ARG  16   1.671   4.225  -6.856
   95    HE   ARG  16           HE       ARG  16  -1.136   4.017  -7.257
   96   1HH1  ARG  16          2HH1      ARG  16   1.765   2.236  -8.737
   97   2HH1  ARG  16          1HH1      ARG  16   0.920   1.790 -10.169
   98   1HH2  ARG  16          2HH2      ARG  16  -2.237   3.325  -9.298
   99   2HH2  ARG  16          1HH2      ARG  16  -1.391   2.418 -10.499
  100    H    ALA  17           H        ALA  17   1.231   0.742  -3.697
  101    HA   ALA  17           HA       ALA  17   2.452   0.427  -1.076
  102   1HB   ALA  17          HB1       ALA  17   0.487   0.519   0.241
  103   2HB   ALA  17          HB2       ALA  17  -0.377   1.088  -1.021
  104   3HB   ALA  17          HB3       ALA  17   0.861   1.965  -0.418
  105    H    LYS  18           H        LYS  18   2.007  -1.741   0.109
  106    HA   LYS  18           HA       LYS  18   0.410  -3.884  -1.264
  107   1HB   LYS  18          HB1       LYS  18   3.406  -4.144  -1.080
  108   2HB   LYS  18          HB2       LYS  18   2.368  -5.167  -1.816
  109   1HG   LYS  18          HG1       LYS  18   2.848  -2.778  -2.973
  110   2HG   LYS  18          HG2       LYS  18   3.408  -4.251  -3.403
  111   1HD   LYS  18          HD1       LYS  18   0.732  -4.537  -3.481
  112   2HD   LYS  18          HD2       LYS  18   1.435  -3.770  -4.738
  113   1HE   LYS  18          HE1       LYS  18   2.998  -5.837  -4.432
  114   2HE   LYS  18          HE2       LYS  18   1.765  -6.401  -3.523
  115   1HZ   LYS  18          HZ1       LYS  18   1.375  -7.255  -5.503
  116   2HZ   LYS  18          HZ2       LYS  18   0.145  -6.281  -4.896
  117   3HZ   LYS  18          HZ3       LYS  18   1.161  -5.701  -6.103
  118    H    CYS  19           H        CYS  19   2.450  -5.969   1.147
  119    HA   CYS  19           HA       CYS  19  -0.476  -5.737   1.113
  120   1HB   CYS  19          HB1       CYS  19   1.174  -7.941  -0.146
  121   2HB   CYS  19          HB2       CYS  19  -0.423  -8.093   0.162
  122    H    ASP  20           H        ASP  20  -0.202  -5.681   3.555
  123    HA   ASP  20           HA       ASP  20   2.264  -6.775   4.733
  124   1HB   ASP  20          HB1       ASP  20   1.520  -4.433   4.957
  125   2HB   ASP  20          HB2       ASP  20   0.110  -4.890   5.642
  126    H    ASN  21           H        ASN  21   1.848  -7.642   7.284
  127    HA   ASN  21           HA       ASN  21   0.855 -10.161   6.927
  128   1HB   ASN  21          HB1       ASN  21   1.044 -10.484   9.180
  129   2HB   ASN  21          HB2       ASN  21   2.108  -9.270   8.940
  130   1HD2  ASN  21          1HD2      ASN  21   2.138  -7.170  10.022
  131   2HD2  ASN  21          2HD2      ASN  21   0.851  -6.797  11.106
  132    H    ASP  22           H        ASP  22  -0.992  -7.184   7.724
  133    HA   ASP  22           HA       ASP  22  -3.369  -8.837   7.422
  134   1HB   ASP  22          HB1       ASP  22  -3.043  -8.808   9.770
  135   2HB   ASP  22          HB2       ASP  22  -2.709  -7.209   9.808
  136    H    LYS  23           H        LYS  23  -1.520  -6.150   6.528
  137    HA   LYS  23           HA       LYS  23  -4.023  -4.673   5.922
  138   1HB   LYS  23          HB1       LYS  23  -1.348  -3.317   6.201
  139   2HB   LYS  23          HB2       LYS  23  -2.819  -2.608   6.131
  140   1HG   LYS  23          HG1       LYS  23  -2.539  -2.137   8.213
  141   2HG   LYS  23          HG2       LYS  23  -3.126  -3.640   8.464
  142   1HD   LYS  23          HD1       LYS  23  -1.965  -4.353   9.495
  143   2HD   LYS  23          HD2       LYS  23  -1.188  -4.704   8.102
  144   1HE   LYS  23          HE1       LYS  23  -1.793  -2.850  10.487
  145   2HE   LYS  23          HE2       LYS  23  -0.460  -3.791  10.561
  146   1HZ   LYS  23          HZ1       LYS  23  -0.006  -1.466  10.374
  147   2HZ   LYS  23          HZ2       LYS  23   0.469  -2.205   8.935
  148   3HZ   LYS  23          HZ3       LYS  23  -0.994  -1.373   9.026
  149    H    CYS  24           H        CYS  24  -2.589  -2.718   4.171
  150    HA   CYS  24           HA       CYS  24  -0.742  -4.452   2.696
  151   1HB   CYS  24          HB1       CYS  24  -2.861  -2.553   2.006
  152   2HB   CYS  24          HB2       CYS  24  -1.615  -2.765   0.971
  153    H    VAL  25           H        VAL  25   1.432  -3.258   3.209
  154    HA   VAL  25           HA       VAL  25   0.799  -0.484   3.961
  155    HB   VAL  25           HB       VAL  25   1.907  -1.846   5.720
  156   1HG1  VAL  25          1HG1      VAL  25   4.192  -2.620   5.407
  157   2HG1  VAL  25          2HG1      VAL  25   4.192  -2.162   3.840
  158   3HG1  VAL  25          3HG1      VAL  25   3.206  -3.364   4.339
  159   1HG2  VAL  25          1HG2      VAL  25   3.763  -0.298   6.113
  160   2HG2  VAL  25          2HG2      VAL  25   2.442   0.509   5.593
  161   3HG2  VAL  25          3HG2      VAL  25   3.690   0.245   4.574
  162    H    CYS  26           H        CYS  26   4.153  -1.586   2.387
  163    HA   CYS  26           HA       CYS  26   3.347   0.657   0.607
  164   1HB   CYS  26          HB1       CYS  26   6.011   0.174   1.872
  165   2HB   CYS  26          HB2       CYS  26   5.619   1.467   0.955
  166    H    GLU  27           H        GLU  27   4.339   0.728  -1.588
  167    HA   GLU  27           HA       GLU  27   6.646  -1.090  -2.125
  168   1HB   GLU  27          HB1       GLU  27   5.522  -1.135  -4.487
  169   2HB   GLU  27          HB2       GLU  27   5.255  -2.328  -3.404
  170   1HG   GLU  27          HG1       GLU  27   3.473  -0.021  -3.571
  171   2HG   GLU  27          HG2       GLU  27   4.299   0.028  -4.978
  172    HA   PRO  28           HA       PRO  28   7.643   3.079  -3.513
  173   1HB   PRO  28          HB1       PRO  28   9.139   2.775  -5.726
  174   2HB   PRO  28          HB2       PRO  28   9.696   2.327  -4.258
  175   1HG   PRO  28          HG1       PRO  28   8.119   1.122  -6.558
  176   2HG   PRO  28          HG2       PRO  28   9.571   0.512  -6.123
  177   1HD   PRO  28          HD1       PRO  28   7.465  -0.474  -5.345
  178   2HD   PRO  28          HD2       PRO  28   8.444  -0.584  -4.043
  179    H    LYS  29           H        LYS  29   7.348   4.841  -5.143
  180    HA   LYS  29           HA       LYS  29   4.709   4.579  -6.217
  181   1HB   LYS  29          HB1       LYS  29   4.997   6.900  -6.433
  182   2HB   LYS  29          HB2       LYS  29   6.098   6.605  -5.263
  183   1HG   LYS  29          HG1       LYS  29   7.949   6.267  -6.190
  184   2HG   LYS  29          HG2       LYS  29   7.385   6.849  -7.608
  185   1HD   LYS  29          HD1       LYS  29   7.588   8.003  -4.861
  186   2HD   LYS  29          HD2       LYS  29   8.670   8.367  -6.028
  187   1HE   LYS  29          HE1       LYS  29   6.696   9.586  -7.032
  188   2HE   LYS  29          HE2       LYS  29   5.818   9.100  -5.743
  189   1HZ   LYS  29          HZ1       LYS  29   6.554  11.269  -5.358
  190   2HZ   LYS  29          HZ2       LYS  29   7.196  10.184  -4.243
  191   3HZ   LYS  29          HZ3       LYS  29   8.142  10.740  -5.519
  Start of MODEL    3
    1   1H    ALA   1          1H        ALA   1  -5.202  -8.755   2.054
    2    HA   ALA   1           HA       ALA   1  -6.021 -10.155   0.230
    3   1HB   ALA   1          HB1       ALA   1  -8.361 -10.701   0.295
    4   2HB   ALA   1          HB2       ALA   1  -8.547 -10.065   1.787
    5   3HB   ALA   1          HB3       ALA   1  -7.623 -11.394   1.577
    6    H    THR   2           H        THR   2  -7.524  -9.123  -1.526
    7    HA   THR   2           HA       THR   2  -8.073  -7.261  -2.660
    8    HB   THR   2           HB       THR   2  -9.272  -6.518   0.074
    9    HG1  THR   2           HG1      THR   2 -11.146  -7.551  -0.872
   10   1HG2  THR   2          1HG2      THR   2 -10.816  -5.199  -1.302
   11   2HG2  THR   2          2HG2      THR   2 -10.024  -5.589  -2.675
   12   3HG2  THR   2          3HG2      THR   2  -9.296  -4.657  -1.548
   13    H    CYS   3           H        CYS   3  -5.325  -7.334  -1.618
   14    HA   CYS   3           HA       CYS   3  -5.059  -4.864  -0.181
   15   1HB   CYS   3          HB1       CYS   3  -2.705  -5.345  -0.175
   16   2HB   CYS   3          HB2       CYS   3  -3.591  -6.559   0.465
   17    H    GLU   4           H        GLU   4  -6.107  -4.970  -3.112
   18    HA   GLU   4           HA       GLU   4  -4.384  -2.926  -4.235
   19   1HB   GLU   4          HB1       GLU   4  -6.366  -2.665  -5.777
   20   2HB   GLU   4          HB2       GLU   4  -5.884  -4.225  -5.766
   21   1HG   GLU   4          HG1       GLU   4  -7.648  -4.780  -4.447
   22   2HG   GLU   4          HG2       GLU   4  -7.853  -3.241  -3.942
   23    H    ASP   5           H        ASP   5  -5.898  -2.668  -1.304
   24    HA   ASP   5           HA       ASP   5  -7.824  -0.633  -2.166
   25   1HB   ASP   5          HB1       ASP   5  -8.503  -2.326  -0.512
   26   2HB   ASP   5          HB2       ASP   5  -7.398  -1.789   0.564
   27    H    CYS   6           H        CYS   6  -5.121   1.536   0.286
   28    HA   CYS   6           HA       CYS   6  -3.790  -0.006   1.323
   29   1HB   CYS   6          HB1       CYS   6  -4.406  -1.923  -0.849
   30   2HB   CYS   6          HB2       CYS   6  -3.195  -2.107   0.231
   31    HA   PRO   7           HA       PRO   7  -0.741   0.717  -2.669
   32   1HB   PRO   7          HB1       PRO   7  -3.004   1.457  -4.463
   33   2HB   PRO   7          HB2       PRO   7  -1.576   0.782  -4.881
   34   1HG   PRO   7          HG1       PRO   7  -2.827  -0.995  -4.888
   35   2HG   PRO   7          HG2       PRO   7  -1.445  -1.048  -4.019
   36   1HD   PRO   7          HD1       PRO   7  -3.830  -0.343  -3.438
   37   2HD   PRO   7          HD2       PRO   7  -3.605  -1.425  -2.237
   38    H    GLU   8           H        GLU   8  -3.777   2.519  -2.469
   39    HA   GLU   8           HA       GLU   8  -2.393   4.994  -2.923
   40   1HB   GLU   8          HB1       GLU   8  -4.917   3.886  -3.053
   41   2HB   GLU   8          HB2       GLU   8  -5.038   5.033  -1.896
   42   1HG   GLU   8          HG1       GLU   8  -5.229   6.472  -1.693
   43   2HG   GLU   8          HG2       GLU   8  -4.181   6.825  -2.896
   44    H    HIS   9           H        HIS   9  -3.034   2.965  -0.104
   45    HA   HIS   9           HA       HIS   9  -3.292   5.261   1.637
   46   1HB   HIS   9          HB1       HIS   9  -4.349   3.139   2.227
   47   2HB   HIS   9          HB2       HIS   9  -2.914   2.360   2.259
   48    HD1  HIS   9           HD1      HIS   9  -1.405   2.839   4.440
   49    HD2  HIS   9           HD2      HIS   9  -4.893   4.936   4.118
   50    HE1  HIS   9           HE1      HIS   9  -1.809   4.079   6.678
   51    HE2  HIS   9           HE2      HIS   9  -3.981   5.132   6.526
   52    H    CYS  10           H        CYS  10  -0.493   3.630   0.142
   53    HA   CYS  10           HA       CYS  10   1.027   4.709   2.464
   54   1HB   CYS  10          HB1       CYS  10   1.531   2.435   1.985
   55   2HB   CYS  10          HB2       CYS  10   1.870   2.759   0.420
   56    H    ALA  11           H        ALA  11  -0.181   5.353  -0.666
   57    HA   ALA  11           HA       ALA  11   1.964   7.125  -1.542
   58   1HB   ALA  11          HB1       ALA  11   0.263   7.887  -3.078
   59   2HB   ALA  11          HB2       ALA  11  -0.916   7.052  -2.318
   60   3HB   ALA  11          HB3       ALA  11   0.269   6.255  -3.109
   61    H    THR  12           H        THR  12  -0.326   7.054   1.015
   62    HA   THR  12           HA       THR  12  -1.078   9.658   1.423
   63    HB   THR  12           HB       THR  12   0.264   7.606   3.261
   64    HG1  THR  12           HG1      THR  12  -1.914   6.960   3.631
   65   1HG2  THR  12          1HG2      THR  12  -1.037   8.767   4.986
   66   2HG2  THR  12          2HG2      THR  12  -1.581   9.866   3.908
   67   3HG2  THR  12          3HG2      THR  12   0.006   9.809   4.285
   68    H    GLN  13           H        GLN  13   2.324   8.177   1.529
   69    HA   GLN  13           HA       GLN  13   3.191  10.967   1.978
   70   1HB   GLN  13          HB1       GLN  13   4.707   9.667   3.727
   71   2HB   GLN  13          HB2       GLN  13   3.278  10.343   4.140
   72   1HG   GLN  13          HG1       GLN  13   3.406   7.585   3.303
   73   2HG   GLN  13          HG2       GLN  13   4.969   7.959   3.592
   74   1HE2  GLN  13          1HE2      GLN  13   5.211   6.087   5.054
   75   2HE2  GLN  13          2HE2      GLN  13   5.046   6.585   6.696
   76    H    ASN  14           H        ASN  14   4.483   7.413   1.455
   77    HA   ASN  14           HA       ASN  14   6.776   8.842   0.169
   78   1HB   ASN  14          HB1       ASN  14   6.446   6.135   1.333
   79   2HB   ASN  14          HB2       ASN  14   7.727   6.550   0.408
   80   1HD2  ASN  14          1HD2      ASN  14   8.546   5.500   2.849
   81   2HD2  ASN  14          2HD2      ASN  14   8.722   6.696   4.082
   82    H    ALA  15           H        ALA  15   4.095   6.348  -0.336
   83    HA   ALA  15           HA       ALA  15   5.711   5.531  -2.648
   84   1HB   ALA  15          HB1       ALA  15   5.693   3.289  -1.635
   85   2HB   ALA  15          HB2       ALA  15   4.953   3.870  -0.300
   86   3HB   ALA  15          HB3       ALA  15   6.459   4.373  -0.684
   87    H    ARG  16           H        ARG  16   4.071   2.795  -2.463
   88    HA   ARG  16           HA       ARG  16   1.425   3.736  -3.198
   89   1HB   ARG  16          HB1       ARG  16   2.727   3.773  -5.168
   90   2HB   ARG  16          HB2       ARG  16   3.252   2.242  -4.944
   91   1HG   ARG  16          HG1       ARG  16   1.217   1.418  -5.820
   92   2HG   ARG  16          HG2       ARG  16   0.391   2.727  -5.299
   93   1HD   ARG  16          HD1       ARG  16   2.248   3.421  -7.207
   94   2HD   ARG  16          HD2       ARG  16   2.215   1.803  -7.428
   95    HE   ARG  16           HE       ARG  16   0.887   1.812  -8.993
   96   1HH1  ARG  16          2HH1      ARG  16  -0.556   3.998  -6.347
   97   2HH1  ARG  16          1HH1      ARG  16  -2.130   3.965  -7.027
   98   1HH2  ARG  16          2HH2      ARG  16  -1.362   1.782  -9.800
   99   2HH2  ARG  16          1HH2      ARG  16  -2.601   2.697  -9.021
  100    H    ALA  17           H        ALA  17   0.968   0.311  -3.759
  101    HA   ALA  17           HA       ALA  17   2.382  -0.435  -1.372
  102   1HB   ALA  17          HB1       ALA  17   0.602  -0.826   0.138
  103   2HB   ALA  17          HB2       ALA  17  -0.408  -0.007  -0.848
  104   3HB   ALA  17          HB3       ALA  17   0.877   0.750  -0.185
  105    H    LYS  18           H        LYS  18   1.248  -2.459   0.000
  106    HA   LYS  18           HA       LYS  18   1.072  -4.525  -2.055
  107   1HB   LYS  18          HB1       LYS  18   2.972  -4.836   0.324
  108   2HB   LYS  18          HB2       LYS  18   3.057  -5.624  -1.105
  109   1HG   LYS  18          HG1       LYS  18   4.186  -3.287  -1.006
  110   2HG   LYS  18          HG2       LYS  18   4.678  -4.765  -1.498
  111   1HD   LYS  18          HD1       LYS  18   2.912  -4.547  -3.266
  112   2HD   LYS  18          HD2       LYS  18   4.304  -3.722  -3.484
  113   1HE   LYS  18          HE1       LYS  18   5.042  -6.210  -2.793
  114   2HE   LYS  18          HE2       LYS  18   3.525  -6.520  -3.314
  115   1HZ   LYS  18          HZ1       LYS  18   4.658  -6.800  -5.098
  116   2HZ   LYS  18          HZ2       LYS  18   3.439  -5.637  -5.191
  117   3HZ   LYS  18          HZ3       LYS  18   5.048  -5.165  -5.085
  118    H    CYS  19           H        CYS  19   1.815  -6.072   1.052
  119    HA   CYS  19           HA       CYS  19  -1.034  -6.004   1.772
  120   1HB   CYS  19          HB1       CYS  19   0.700  -8.318   0.910
  121   2HB   CYS  19          HB2       CYS  19  -0.801  -8.514   1.525
  122    H    ASP  20           H        ASP  20  -0.512  -5.529   4.260
  123    HA   ASP  20           HA       ASP  20   1.656  -7.119   5.562
  124   1HB   ASP  20          HB1       ASP  20   1.500  -5.123   6.698
  125   2HB   ASP  20          HB2       ASP  20  -0.081  -4.877   6.368
  126    H    ASN  21           H        ASN  21   0.746  -8.473   7.652
  127    HA   ASN  21           HA       ASN  21  -0.441 -10.742   7.107
  128   1HB   ASN  21          HB1       ASN  21   0.101  -9.966   9.345
  129   2HB   ASN  21          HB2       ASN  21  -1.203  -8.983   9.394
  130   1HD2  ASN  21          1HD2      ASN  21  -1.548 -10.442  11.576
  131   2HD2  ASN  21          2HD2      ASN  21  -2.393 -11.921  11.301
  132    H    ASP  22           H        ASP  22  -2.509  -7.704   7.702
  133    HA   ASP  22           HA       ASP  22  -4.467  -9.101   5.927
  134   1HB   ASP  22          HB1       ASP  22  -5.354  -9.069   8.146
  135   2HB   ASP  22          HB2       ASP  22  -4.920  -7.516   8.413
  136    H    LYS  23           H        LYS  23  -3.067  -5.921   7.217
  137    HA   LYS  23           HA       LYS  23  -4.778  -4.624   5.146
  138   1HB   LYS  23          HB1       LYS  23  -4.366  -2.625   6.764
  139   2HB   LYS  23          HB2       LYS  23  -5.312  -3.801   7.387
  140   1HG   LYS  23          HG1       LYS  23  -3.729  -2.627   8.759
  141   2HG   LYS  23          HG2       LYS  23  -3.407  -4.227   8.755
  142   1HD   LYS  23          HD1       LYS  23  -1.610  -2.919   7.224
  143   2HD   LYS  23          HD2       LYS  23  -2.592  -1.628   7.414
  144   1HE   LYS  23          HE1       LYS  23  -1.895  -1.810   9.837
  145   2HE   LYS  23          HE2       LYS  23  -0.917  -3.041   9.397
  146   1HZ   LYS  23          HZ1       LYS  23   0.285  -1.062   9.536
  147   2HZ   LYS  23          HZ2       LYS  23   0.294  -1.713   7.984
  148   3HZ   LYS  23          HZ3       LYS  23  -0.705  -0.415   8.342
  149    H    CYS  24           H        CYS  24  -3.480  -2.513   4.115
  150    HA   CYS  24           HA       CYS  24  -1.288  -4.239   3.116
  151   1HB   CYS  24          HB1       CYS  24  -2.885  -2.014   2.060
  152   2HB   CYS  24          HB2       CYS  24  -2.035  -3.104   1.189
  153    H    VAL  25           H        VAL  25   0.783  -3.208   2.182
  154    HA   VAL  25           HA       VAL  25   1.353  -0.348   2.115
  155    HB   VAL  25           HB       VAL  25   0.902  -0.596   4.547
  156   1HG1  VAL  25          1HG1      VAL  25   2.326  -2.084   5.873
  157   2HG1  VAL  25          2HG1      VAL  25   3.051  -2.675   4.534
  158   3HG1  VAL  25          3HG1      VAL  25   1.466  -2.964   4.799
  159   1HG2  VAL  25          1HG2      VAL  25   3.038   0.169   5.353
  160   2HG2  VAL  25          2HG2      VAL  25   2.703   0.868   3.916
  161   3HG2  VAL  25          3HG2      VAL  25   3.796  -0.341   4.000
  162    H    CYS  26           H        CYS  26   4.809  -1.992   1.053
  163    HA   CYS  26           HA       CYS  26   3.182   0.367   0.294
  164   1HB   CYS  26          HB1       CYS  26   6.080   0.430   1.131
  165   2HB   CYS  26          HB2       CYS  26   5.326   1.664   0.372
  166    H    GLU  27           H        GLU  27   4.239   1.171  -2.038
  167    HA   GLU  27           HA       GLU  27   6.184  -0.809  -3.255
  168   1HB   GLU  27          HB1       GLU  27   4.358   0.742  -4.877
  169   2HB   GLU  27          HB2       GLU  27   5.134  -0.655  -5.216
  170   1HG   GLU  27          HG1       GLU  27   4.527  -2.227  -4.399
  171   2HG   GLU  27          HG2       GLU  27   3.310  -1.498  -3.589
  172    HA   PRO  28           HA       PRO  28   7.891   3.311  -4.234
  173   1HB   PRO  28          HB1       PRO  28   9.231   2.722  -6.507
  174   2HB   PRO  28          HB2       PRO  28   9.817   2.275  -5.049
  175   1HG   PRO  28          HG1       PRO  28   7.997   1.174  -7.219
  176   2HG   PRO  28          HG2       PRO  28   9.377   0.404  -6.806
  177   1HD   PRO  28          HD1       PRO  28   7.188  -0.245  -5.910
  178   2HD   PRO  28          HD2       PRO  28   8.199  -0.453  -4.643
  179    H    LYS  29           H        LYS  29   7.492   5.019  -5.792
  180    HA   LYS  29           HA       LYS  29   4.846   4.761  -6.867
  181   1HB   LYS  29          HB1       LYS  29   5.181   7.112  -7.107
  182   2HB   LYS  29          HB2       LYS  29   6.169   6.782  -5.850
  183   1HG   LYS  29          HG1       LYS  29   8.084   6.344  -6.885
  184   2HG   LYS  29          HG2       LYS  29   7.516   7.137  -8.195
  185   1HD   LYS  29          HD1       LYS  29   7.781   8.053  -5.391
  186   2HD   LYS  29          HD2       LYS  29   8.885   8.435  -6.533
  187   1HE   LYS  29          HE1       LYS  29   6.982   9.798  -7.476
  188   2HE   LYS  29          HE2       LYS  29   6.056   9.263  -6.242
  189   1HZ   LYS  29          HZ1       LYS  29   6.879  11.376  -5.732
  190   2HZ   LYS  29          HZ2       LYS  29   7.465  10.214  -4.668
  191   3HZ   LYS  29          HZ3       LYS  29   8.446  10.791  -5.905
  Start of MODEL    4
    1   1H    ALA   1          1H        ALA   1 -11.395  -8.858   1.363
    2    HA   ALA   1           HA       ALA   1 -11.376  -7.304  -0.474
    3   1HB   ALA   1          HB1       ALA   1 -10.291  -5.189  -0.112
    4   2HB   ALA   1          HB2       ALA   1 -10.157  -5.450   1.495
    5   3HB   ALA   1          HB3       ALA   1 -11.632  -5.273   0.816
    6    H    THR   2           H        THR   2  -8.893  -6.378  -1.293
    7    HA   THR   2           HA       THR   2  -7.092  -8.501  -0.263
    8    HB   THR   2           HB       THR   2  -6.261  -8.697  -2.594
    9    HG1  THR   2           HG1      THR   2  -7.566  -7.679  -4.271
   10   1HG2  THR   2          1HG2      THR   2  -8.236  -9.835  -3.468
   11   2HG2  THR   2          2HG2      THR   2  -9.209  -9.108  -2.377
   12   3HG2  THR   2          3HG2      THR   2  -8.076 -10.172  -1.879
   13    H    CYS   3           H        CYS   3  -4.713  -7.718  -1.594
   14    HA   CYS   3           HA       CYS   3  -4.483  -5.092  -0.459
   15   1HB   CYS   3          HB1       CYS   3  -2.051  -5.464  -0.895
   16   2HB   CYS   3          HB2       CYS   3  -2.734  -6.490   0.179
   17    H    GLU   4           H        GLU   4  -6.173  -5.467  -2.795
   18    HA   GLU   4           HA       GLU   4  -5.169  -3.366  -4.586
   19   1HB   GLU   4          HB1       GLU   4  -6.853  -4.780  -5.621
   20   2HB   GLU   4          HB2       GLU   4  -7.706  -5.008  -4.247
   21   1HG   GLU   4          HG1       GLU   4  -8.516  -3.848  -6.197
   22   2HG   GLU   4          HG2       GLU   4  -8.520  -2.845  -4.908
   23    H    ASP   5           H        ASP   5  -6.093  -3.520  -1.168
   24    HA   ASP   5           HA       ASP   5  -8.264  -1.645  -1.658
   25   1HB   ASP   5          HB1       ASP   5  -8.470  -3.488   0.022
   26   2HB   ASP   5          HB2       ASP   5  -7.459  -2.686   1.023
   27    H    CYS   6           H        CYS   6  -5.536   0.837   0.396
   28    HA   CYS   6           HA       CYS   6  -3.917  -0.592   1.300
   29   1HB   CYS   6          HB1       CYS   6  -4.757  -2.545  -0.716
   30   2HB   CYS   6          HB2       CYS   6  -3.205  -2.500  -0.209
   31    HA   PRO   7           HA       PRO   7  -1.294  -0.176  -2.493
   32   1HB   PRO   7          HB1       PRO   7  -2.998   0.384  -4.839
   33   2HB   PRO   7          HB2       PRO   7  -1.983  -0.877  -4.623
   34   1HG   PRO   7          HG1       PRO   7  -4.034   1.282  -4.371
   35   2HG   PRO   7          HG2       PRO   7  -4.580  -0.139  -4.962
   36   1HD   PRO   7          HD1       PRO   7  -4.842   0.679  -3.345
   37   2HD   PRO   7          HD2       PRO   7  -5.305  -0.572  -2.402
   38    H    GLU   8           H        GLU   8  -3.864   2.279  -2.176
   39    HA   GLU   8           HA       GLU   8  -2.015   4.315  -3.278
   40   1HB   GLU   8          HB1       GLU   8  -4.798   4.399  -2.233
   41   2HB   GLU   8          HB2       GLU   8  -3.951   5.728  -2.663
   42   1HG   GLU   8          HG1       GLU   8  -4.010   4.685  -4.952
   43   2HG   GLU   8          HG2       GLU   8  -4.775   3.396  -4.305
   44    H    HIS   9           H        HIS   9  -2.682   2.547  -0.371
   45    HA   HIS   9           HA       HIS   9  -3.120   4.935   1.178
   46   1HB   HIS   9          HB1       HIS   9  -4.259   2.893   1.794
   47   2HB   HIS   9          HB2       HIS   9  -2.859   2.092   2.046
   48    HD1  HIS   9           HD1      HIS   9  -1.449   3.358   4.259
   49    HD2  HIS   9           HD2      HIS   9  -5.434   4.003   3.650
   50    HE1  HIS   9           HE1      HIS   9  -2.430   4.377   6.447
   51    HE2  HIS   9           HE2      HIS   9  -4.775   4.764   6.053
   52    H    CYS  10           H        CYS  10  -0.191   3.656  -0.067
   53    HA   CYS  10           HA       CYS  10   1.054   4.833   2.356
   54   1HB   CYS  10          HB1       CYS  10   1.769   2.654   2.060
   55   2HB   CYS  10          HB2       CYS  10   2.081   2.849   0.469
   56    H    ALA  11           H        ALA  11   0.028   5.404  -0.876
   57    HA   ALA  11           HA       ALA  11   2.141   7.209  -1.744
   58   1HB   ALA  11          HB1       ALA  11   0.356   8.020  -3.178
   59   2HB   ALA  11          HB2       ALA  11  -0.793   7.214  -2.344
   60   3HB   ALA  11          HB3       ALA  11   0.311   6.388  -3.218
   61    H    THR  12           H        THR  12  -0.553   7.140   0.514
   62    HA   THR  12           HA       THR  12  -1.141   9.621   1.306
   63    HB   THR  12           HB       THR  12   0.071   7.266   2.839
   64    HG1  THR  12           HG1      THR  12  -2.118   6.556   2.882
   65   1HG2  THR  12          1HG2      THR  12  -1.377   8.091   4.636
   66   2HG2  THR  12          2HG2      THR  12  -1.844   9.375   3.742
   67   3HG2  THR  12          3HG2      THR  12  -0.292   9.241   4.232
   68    H    GLN  13           H        GLN  13   2.164   7.998   1.649
   69    HA   GLN  13           HA       GLN  13   3.230  10.654   2.542
   70   1HB   GLN  13          HB1       GLN  13   3.819   7.801   3.424
   71   2HB   GLN  13          HB2       GLN  13   4.867   9.014   3.735
   72   1HG   GLN  13          HG1       GLN  13   2.121   8.887   4.591
   73   2HG   GLN  13          HG2       GLN  13   3.336   8.214   5.449
   74   1HE2  GLN  13          1HE2      GLN  13   4.606   9.466   6.923
   75   2HE2  GLN  13          2HE2      GLN  13   4.482  11.187   6.971
   76    H    ASN  14           H        ASN  14   4.239   7.256   1.290
   77    HA   ASN  14           HA       ASN  14   6.500   8.765   0.042
   78   1HB   ASN  14          HB1       ASN  14   6.226   5.923   0.787
   79   2HB   ASN  14          HB2       ASN  14   7.573   6.651   0.219
   80   1HD2  ASN  14          1HD2      ASN  14   9.069   7.932   1.521
   81   2HD2  ASN  14          2HD2      ASN  14   8.898   7.919   3.237
   82    H    ALA  15           H        ALA  15   3.722   6.499  -0.777
   83    HA   ALA  15           HA       ALA  15   5.666   5.290  -2.667
   84   1HB   ALA  15          HB1       ALA  15   5.089   3.271  -1.483
   85   2HB   ALA  15          HB2       ALA  15   4.125   4.094  -0.454
   86   3HB   ALA  15          HB3       ALA  15   5.734   4.377  -0.470
   87    H    ARG  16           H        ARG  16   4.402   2.919  -3.271
   88    HA   ARG  16           HA       ARG  16   1.662   3.658  -4.035
   89   1HB   ARG  16          HB1       ARG  16   3.352   3.047  -5.942
   90   2HB   ARG  16          HB2       ARG  16   3.293   1.509  -5.395
   91   1HG   ARG  16          HG1       ARG  16   1.885   1.144  -6.848
   92   2HG   ARG  16          HG2       ARG  16   0.862   1.639  -5.675
   93   1HD   ARG  16          HD1       ARG  16   0.156   3.355  -5.889
   94   2HD   ARG  16          HD2       ARG  16   1.461   3.957  -6.666
   95    HE   ARG  16           HE       ARG  16   0.028   2.379  -8.423
   96   1HH1  ARG  16          2HH1      ARG  16  -1.048   4.550  -5.687
   97   2HH1  ARG  16          1HH1      ARG  16  -2.556   4.976  -6.395
   98   1HH2  ARG  16          2HH2      ARG  16  -2.121   3.070  -9.458
   99   2HH2  ARG  16          1HH2      ARG  16  -3.189   4.117  -8.594
  100    H    ALA  17           H        ALA  17   1.040   0.313  -3.866
  101    HA   ALA  17           HA       ALA  17   2.455  -0.053  -1.312
  102   1HB   ALA  17          HB1       ALA  17   0.503   0.071   0.023
  103   2HB   ALA  17          HB2       ALA  17  -0.370   0.610  -1.245
  104   3HB   ALA  17          HB3       ALA  17   0.880   1.495  -0.680
  105    H    LYS  18           H        LYS  18   2.035  -2.000   0.007
  106    HA   LYS  18           HA       LYS  18   0.526  -4.344  -1.052
  107   1HB   LYS  18          HB1       LYS  18   3.558  -4.446  -0.891
  108   2HB   LYS  18          HB2       LYS  18   2.568  -5.598  -1.492
  109   1HG   LYS  18          HG1       LYS  18   3.074  -3.607  -3.097
  110   2HG   LYS  18          HG2       LYS  18   3.655  -5.133  -3.086
  111   1HD   LYS  18          HD1       LYS  18   2.372  -5.626  -4.633
  112   2HD   LYS  18          HD2       LYS  18   1.802  -6.341  -3.280
  113   1HE   LYS  18          HE1       LYS  18  -0.012  -5.101  -2.983
  114   2HE   LYS  18          HE2       LYS  18   0.414  -4.043  -4.153
  115   1HZ   LYS  18          HZ1       LYS  18  -1.169  -5.533  -4.900
  116   2HZ   LYS  18          HZ2       LYS  18   0.280  -5.723  -5.728
  117   3HZ   LYS  18          HZ3       LYS  18  -0.140  -6.808  -4.521
  118    H    CYS  19           H        CYS  19   1.860  -5.543   2.371
  119    HA   CYS  19           HA       CYS  19  -0.468  -5.952   1.000
  120   1HB   CYS  19          HB1       CYS  19   1.014  -6.734  -0.936
  121   2HB   CYS  19          HB2       CYS  19   1.731  -7.836   0.033
  122    H    ASP  20           H        ASP  20  -0.422  -5.725   3.471
  123    HA   ASP  20           HA       ASP  20   2.039  -6.569   4.679
  124   1HB   ASP  20          HB1       ASP  20   0.928  -4.442   4.914
  125   2HB   ASP  20          HB2       ASP  20  -0.313  -5.139   5.714
  126    H    ASN  21           H        ASN  21   1.192  -7.301   7.483
  127    HA   ASN  21           HA       ASN  21   0.998 -10.021   7.141
  128   1HB   ASN  21          HB1       ASN  21   1.430  -8.928   9.319
  129   2HB   ASN  21          HB2       ASN  21  -0.144  -8.510   9.448
  130   1HD2  ASN  21          1HD2      ASN  21   0.801 -11.679   8.024
  131   2HD2  ASN  21          2HD2      ASN  21   0.232 -12.590   9.363
  132    H    ASP  22           H        ASP  22  -1.569  -7.468   6.979
  133    HA   ASP  22           HA       ASP  22  -2.922  -9.250   5.278
  134   1HB   ASP  22          HB1       ASP  22  -3.684 -10.153   7.388
  135   2HB   ASP  22          HB2       ASP  22  -4.191  -8.692   7.913
  136    H    LYS  23           H        LYS  23  -1.930  -5.938   5.683
  137    HA   LYS  23           HA       LYS  23  -4.606  -5.067   4.868
  138   1HB   LYS  23          HB1       LYS  23  -4.788  -3.857   7.179
  139   2HB   LYS  23          HB2       LYS  23  -5.113  -5.455   7.097
  140   1HG   LYS  23          HG1       LYS  23  -3.686  -3.877   8.805
  141   2HG   LYS  23          HG2       LYS  23  -3.410  -5.485   8.743
  142   1HD   LYS  23          HD1       LYS  23  -2.151  -3.204   7.294
  143   2HD   LYS  23          HD2       LYS  23  -2.955  -2.604   8.583
  144   1HE   LYS  23          HE1       LYS  23  -1.138  -2.410   9.538
  145   2HE   LYS  23          HE2       LYS  23  -2.382  -3.136  10.308
  146   1HZ   LYS  23          HZ1       LYS  23  -0.412  -4.255  10.825
  147   2HZ   LYS  23          HZ2       LYS  23  -1.511  -5.240  10.027
  148   3HZ   LYS  23          HZ3       LYS  23  -0.197  -4.598   9.197
  149    H    CYS  24           H        CYS  24  -2.512  -1.799   4.047
  150    HA   CYS  24           HA       CYS  24  -1.138  -4.356   3.785
  151   1HB   CYS  24          HB1       CYS  24  -2.536  -2.700   1.833
  152   2HB   CYS  24          HB2       CYS  24  -1.252  -3.613   1.403
  153    H    VAL  25           H        VAL  25   1.396  -3.383   3.291
  154    HA   VAL  25           HA       VAL  25   1.132  -0.498   3.846
  155    HB   VAL  25           HB       VAL  25   2.258  -1.811   5.618
  156   1HG1  VAL  25          1HG1      VAL  25   4.438  -2.820   5.155
  157   2HG1  VAL  25          2HG1      VAL  25   4.326  -2.457   3.567
  158   3HG1  VAL  25          3HG1      VAL  25   3.290  -3.527   4.235
  159   1HG2  VAL  25          1HG2      VAL  25   4.265  -0.415   5.764
  160   2HG2  VAL  25          2HG2      VAL  25   2.984   0.475   5.278
  161   3HG2  VAL  25          3HG2      VAL  25   4.125   0.029   4.198
  162    H    CYS  26           H        CYS  26   4.574  -1.106   2.483
  163    HA   CYS  26           HA       CYS  26   3.409   0.764   0.470
  164   1HB   CYS  26          HB1       CYS  26   6.229   0.583   1.456
  165   2HB   CYS  26          HB2       CYS  26   5.570   1.840   0.648
  166    H    GLU  27           H        GLU  27   4.526   1.185  -1.686
  167    HA   GLU  27           HA       GLU  27   6.543  -0.850  -2.701
  168   1HB   GLU  27          HB1       GLU  27   4.968   0.503  -4.664
  169   2HB   GLU  27          HB2       GLU  27   5.393  -1.073  -4.588
  170   1HG   GLU  27          HG1       GLU  27   4.784  -2.405  -4.093
  171   2HG   GLU  27          HG2       GLU  27   3.718  -1.677  -3.093
  172    HA   PRO  28           HA       PRO  28   8.066   3.455  -3.579
  173   1HB   PRO  28          HB1       PRO  28   9.383   3.097  -5.942
  174   2HB   PRO  28          HB2       PRO  28  10.041   2.679  -4.508
  175   1HG   PRO  28          HG1       PRO  28   8.259   1.610  -6.743
  176   2HG   PRO  28          HG2       PRO  28   9.682   0.881  -6.410
  177   1HD   PRO  28          HD1       PRO  28   7.577   0.081  -5.650
  178   2HD   PRO  28          HD2       PRO  28   8.519  -0.302  -4.372
  179    H    LYS  29           H        LYS  29   7.634   5.293  -5.112
  180    HA   LYS  29           HA       LYS  29   4.954   5.025  -6.093
  181   1HB   LYS  29          HB1       LYS  29   5.209   7.364  -6.251
  182   2HB   LYS  29          HB2       LYS  29   6.328   7.040  -5.106
  183   1HG   LYS  29          HG1       LYS  29   8.165   6.739  -6.140
  184   2HG   LYS  29          HG2       LYS  29   7.535   7.395  -7.496
  185   1HD   LYS  29          HD1       LYS  29   7.806   8.446  -4.725
  186   2HD   LYS  29          HD2       LYS  29   8.879   8.834  -5.892
  187   1HE   LYS  29          HE1       LYS  29   6.861  10.087  -6.816
  188   2HE   LYS  29          HE2       LYS  29   6.020   9.547  -5.524
  189   1HZ   LYS  29          HZ1       LYS  29   6.737  11.699  -5.077
  190   2HZ   LYS  29          HZ2       LYS  29   7.407  10.580  -4.018
  191   3HZ   LYS  29          HZ3       LYS  29   8.328  11.195  -5.284
  Start of MODEL    5
    1   1H    ALA   1          1H        ALA   1 -11.809  -8.957  -0.482
    2    HA   ALA   1           HA       ALA   1 -11.275  -6.592  -0.667
    3   1HB   ALA   1          HB1       ALA   1 -10.259  -5.637   1.332
    4   2HB   ALA   1          HB2       ALA   1 -10.491  -7.009   2.187
    5   3HB   ALA   1          HB3       ALA   1 -11.774  -6.125   1.698
    6    H    THR   2           H        THR   2  -9.144  -6.361  -1.627
    7    HA   THR   2           HA       THR   2  -7.223  -8.472  -0.785
    8    HB   THR   2           HB       THR   2  -6.461  -8.415  -3.144
    9    HG1  THR   2           HG1      THR   2  -7.853  -7.302  -4.680
   10   1HG2  THR   2          1HG2      THR   2  -8.411  -9.566  -4.065
   11   2HG2  THR   2          2HG2      THR   2  -9.381  -8.987  -2.886
   12   3HG2  THR   2          3HG2      THR   2  -8.184 -10.036  -2.518
   13    H    CYS   3           H        CYS   3  -4.868  -7.617  -1.627
   14    HA   CYS   3           HA       CYS   3  -4.874  -4.855  -0.880
   15   1HB   CYS   3          HB1       CYS   3  -2.392  -5.177  -0.998
   16   2HB   CYS   3          HB2       CYS   3  -3.131  -6.150   0.084
   17    H    GLU   4           H        GLU   4  -6.504  -4.538  -2.680
   18    HA   GLU   4           HA       GLU   4  -5.072  -3.466  -5.094
   19   1HB   GLU   4          HB1       GLU   4  -6.885  -4.700  -6.024
   20   2HB   GLU   4          HB2       GLU   4  -7.828  -4.604  -4.695
   21   1HG   GLU   4          HG1       GLU   4  -7.878  -3.659  -7.104
   22   2HG   GLU   4          HG2       GLU   4  -8.475  -2.715  -5.913
   23    H    ASP   5           H        ASP   5  -7.411  -3.014  -2.265
   24    HA   ASP   5           HA       ASP   5  -7.767  -0.175  -2.988
   25   1HB   ASP   5          HB1       ASP   5  -9.469  -1.300  -1.565
   26   2HB   ASP   5          HB2       ASP   5  -8.352  -1.703  -0.443
   27    H    CYS   6           H        CYS   6  -5.604  -2.363  -1.235
   28    HA   CYS   6           HA       CYS   6  -4.635  -0.449   0.564
   29   1HB   CYS   6          HB1       CYS   6  -3.553  -2.945  -0.582
   30   2HB   CYS   6          HB2       CYS   6  -2.702  -2.058   0.493
   31    HA   PRO   7           HA       PRO   7  -1.194   0.152  -3.343
   32   1HB   PRO   7          HB1       PRO   7  -3.645   0.032  -4.999
   33   2HB   PRO   7          HB2       PRO   7  -2.096   0.118  -5.513
   34   1HG   PRO   7          HG1       PRO   7  -2.851  -2.180  -5.205
   35   2HG   PRO   7          HG2       PRO   7  -1.475  -1.815  -4.404
   36   1HD   PRO   7          HD1       PRO   7  -3.890  -1.626  -3.841
   37   2HD   PRO   7          HD2       PRO   7  -3.540  -2.407  -2.451
   38    H    GLU   8           H        GLU   8  -3.853   1.909  -1.764
   39    HA   GLU   8           HA       GLU   8  -2.730   4.353  -3.014
   40   1HB   GLU   8          HB1       GLU   8  -5.134   3.758  -3.306
   41   2HB   GLU   8          HB2       GLU   8  -5.348   3.888  -1.691
   42   1HG   GLU   8          HG1       GLU   8  -4.875   6.084  -1.496
   43   2HG   GLU   8          HG2       GLU   8  -4.461   6.206  -3.071
   44    H    HIS   9           H        HIS   9  -3.190   2.422  -0.041
   45    HA   HIS   9           HA       HIS   9  -3.452   4.623   1.732
   46   1HB   HIS   9          HB1       HIS   9  -4.300   2.376   2.278
   47   2HB   HIS   9          HB2       HIS   9  -2.789   1.758   2.329
   48    HD1  HIS   9           HD1      HIS   9  -4.540   4.756   3.901
   49    HD2  HIS   9           HD2      HIS   9  -2.175   1.549   4.859
   50    HE1  HIS   9           HE1      HIS   9  -4.115   4.868   6.380
   51    HE2  HIS   9           HE2      HIS   9  -2.553   3.002   6.950
   52    H    CYS  10           H        CYS  10  -0.466   3.509   0.139
   53    HA   CYS  10           HA       CYS  10   0.931   4.740   2.483
   54   1HB   CYS  10          HB1       CYS  10   1.398   2.357   1.456
   55   2HB   CYS  10          HB2       CYS  10   2.493   3.280   0.670
   56    H    ALA  11           H        ALA  11  -0.352   5.212  -0.576
   57    HA   ALA  11           HA       ALA  11   1.737   6.991  -1.564
   58   1HB   ALA  11          HB1       ALA  11  -0.069   7.815  -2.938
   59   2HB   ALA  11          HB2       ALA  11  -1.198   6.982  -2.102
   60   3HB   ALA  11          HB3       ALA  11  -0.102   6.185  -3.012
   61    H    THR  12           H        THR  12  -0.477   6.787   1.083
   62    HA   THR  12           HA       THR  12  -1.135   9.289   1.829
   63    HB   THR  12           HB       THR  12   0.376   7.073   3.314
   64    HG1  THR  12           HG1      THR  12  -1.779   6.335   3.736
   65   1HG2  THR  12          1HG2      THR  12  -0.808   7.993   5.250
   66   2HG2  THR  12          2HG2      THR  12  -1.452   9.195   4.353
   67   3HG2  THR  12          3HG2      THR  12   0.159   9.140   4.606
   68    H    GLN  13           H        GLN  13   2.361   7.885   1.711
   69    HA   GLN  13           HA       GLN  13   3.253  10.684   1.863
   70   1HB   GLN  13          HB1       GLN  13   4.316  10.446   3.951
   71   2HB   GLN  13          HB2       GLN  13   2.726  10.133   4.153
   72   1HG   GLN  13          HG1       GLN  13   3.099   7.801   4.084
   73   2HG   GLN  13          HG2       GLN  13   4.709   8.075   4.041
   74   1HE2  GLN  13          1HE2      GLN  13   4.413   6.552   6.181
   75   2HE2  GLN  13          2HE2      GLN  13   4.302   7.510   7.613
   76    H    ASN  14           H        ASN  14   4.021   7.148   1.352
   77    HA   ASN  14           HA       ASN  14   6.887   8.029   0.984
   78   1HB   ASN  14          HB1       ASN  14   5.642   5.600   2.053
   79   2HB   ASN  14          HB2       ASN  14   7.121   5.543   1.363
   80   1HD2  ASN  14          1HD2      ASN  14   8.127   8.054   2.755
   81   2HD2  ASN  14          2HD2      ASN  14   7.915   7.874   4.460
   82    H    ALA  15           H        ALA  15   3.999   6.272  -0.432
   83    HA   ALA  15           HA       ALA  15   5.821   5.248  -2.440
   84   1HB   ALA  15          HB1       ALA  15   5.647   3.026  -1.511
   85   2HB   ALA  15          HB2       ALA  15   4.851   3.591  -0.202
   86   3HB   ALA  15          HB3       ALA  15   6.395   4.046  -0.478
   87    H    ARG  16           H        ARG  16   4.225   2.684  -2.778
   88    HA   ARG  16           HA       ARG  16   1.648   3.890  -3.238
   89   1HB   ARG  16          HB1       ARG  16   2.479   3.556  -5.264
   90   2HB   ARG  16          HB2       ARG  16   3.242   2.163  -4.885
   91   1HG   ARG  16          HG1       ARG  16   0.618   1.539  -5.392
   92   2HG   ARG  16          HG2       ARG  16   0.283   3.090  -5.003
   93   1HD   ARG  16          HD1       ARG  16   1.966   2.344  -7.250
   94   2HD   ARG  16          HD2       ARG  16   0.691   1.328  -7.147
   95    HE   ARG  16           HE       ARG  16  -0.963   2.959  -6.923
   96   1HH1  ARG  16          2HH1      ARG  16   1.208   1.077  -9.204
   97   2HH1  ARG  16          1HH1      ARG  16   0.060   1.030 -10.488
   98   1HH2  ARG  16          2HH2      ARG  16  -2.523   2.914  -8.765
   99   2HH2  ARG  16          1HH2      ARG  16  -2.120   2.102 -10.235
  100    H    ALA  17           H        ALA  17   1.216   0.312  -3.662
  101    HA   ALA  17           HA       ALA  17   2.054  -0.030  -0.875
  102   1HB   ALA  17          HB1       ALA  17  -0.111  -0.430  -0.048
  103   2HB   ALA  17          HB2       ALA  17  -0.780   0.059  -1.455
  104   3HB   ALA  17          HB3       ALA  17   0.085   1.110  -0.553
  105    H    LYS  18           H        LYS  18   2.049  -2.040   0.060
  106    HA   LYS  18           HA       LYS  18   0.385  -4.194  -0.673
  107   1HB   LYS  18          HB1       LYS  18   2.031  -5.610  -1.798
  108   2HB   LYS  18          HB2       LYS  18   2.031  -4.223  -2.662
  109   1HG   LYS  18          HG1       LYS  18   3.905  -3.471  -1.321
  110   2HG   LYS  18          HG2       LYS  18   4.114  -5.058  -0.995
  111   1HD   LYS  18          HD1       LYS  18   4.299  -4.530  -3.710
  112   2HD   LYS  18          HD2       LYS  18   5.549  -4.823  -2.700
  113   1HE   LYS  18          HE1       LYS  18   4.873  -6.695  -4.018
  114   2HE   LYS  18          HE2       LYS  18   4.673  -7.032  -2.433
  115   1HZ   LYS  18          HZ1       LYS  18   3.035  -7.688  -4.158
  116   2HZ   LYS  18          HZ2       LYS  18   2.308  -6.431  -3.331
  117   3HZ   LYS  18          HZ3       LYS  18   3.092  -6.123  -4.779
  118    H    CYS  19           H        CYS  19   2.424  -5.494   2.344
  119    HA   CYS  19           HA       CYS  19  -0.187  -5.636   1.477
  120   1HB   CYS  19          HB1       CYS  19   0.872  -6.661  -0.640
  121   2HB   CYS  19          HB2       CYS  19   1.472  -7.886   0.261
  122    H    ASP  20           H        ASP  20   0.637  -5.189   3.914
  123    HA   ASP  20           HA       ASP  20   2.629  -6.859   5.052
  124   1HB   ASP  20          HB1       ASP  20   2.616  -4.730   5.659
  125   2HB   ASP  20          HB2       ASP  20   0.997  -4.624   5.847
  126    H    ASN  21           H        ASN  21   1.459  -7.192   7.970
  127    HA   ASN  21           HA       ASN  21   0.786  -9.861   7.388
  128   1HB   ASN  21          HB1       ASN  21   0.523 -10.140   9.568
  129   2HB   ASN  21          HB2       ASN  21   1.661  -8.970   9.492
  130   1HD2  ASN  21          1HD2      ASN  21  -0.532  -9.318  11.793
  131   2HD2  ASN  21          2HD2      ASN  21  -0.983  -7.672  12.020
  132    H    ASP  22           H        ASP  22  -1.246  -6.917   7.736
  133    HA   ASP  22           HA       ASP  22  -3.459  -8.631   7.038
  134   1HB   ASP  22          HB1       ASP  22  -4.767  -8.070   8.949
  135   2HB   ASP  22          HB2       ASP  22  -3.363  -8.672   9.529
  136    H    LYS  23           H        LYS  23  -1.785  -5.675   7.005
  137    HA   LYS  23           HA       LYS  23  -3.993  -4.561   5.425
  138   1HB   LYS  23          HB1       LYS  23  -3.434  -2.351   6.738
  139   2HB   LYS  23          HB2       LYS  23  -4.489  -3.389   7.427
  140   1HG   LYS  23          HG1       LYS  23  -2.605  -1.986   8.425
  141   2HG   LYS  23          HG2       LYS  23  -2.974  -3.432   9.088
  142   1HD   LYS  23          HD1       LYS  23  -0.708  -3.080   7.346
  143   2HD   LYS  23          HD2       LYS  23  -1.262  -1.550   7.492
  144   1HE   LYS  23          HE1       LYS  23   0.515  -2.188   9.009
  145   2HE   LYS  23          HE2       LYS  23  -0.697  -1.190   9.459
  146   1HZ   LYS  23          HZ1       LYS  23   0.121  -3.116  10.995
  147   2HZ   LYS  23          HZ2       LYS  23  -1.306  -3.705  10.331
  148   3HZ   LYS  23          HZ3       LYS  23   0.169  -4.086   9.625
  149    H    CYS  24           H        CYS  24  -2.884  -2.726   4.009
  150    HA   CYS  24           HA       CYS  24  -0.483  -4.259   3.268
  151   1HB   CYS  24          HB1       CYS  24  -2.249  -2.374   1.866
  152   2HB   CYS  24          HB2       CYS  24  -1.273  -3.494   1.188
  153    H    VAL  25           H        VAL  25   1.606  -2.982   2.730
  154    HA   VAL  25           HA       VAL  25   0.999  -0.209   3.552
  155    HB   VAL  25           HB       VAL  25   2.089  -1.518   5.317
  156   1HG1  VAL  25          1HG1      VAL  25   4.361  -2.341   4.985
  157   2HG1  VAL  25          2HG1      VAL  25   4.338  -1.922   3.407
  158   3HG1  VAL  25          3HG1      VAL  25   3.340  -3.092   3.956
  159   1HG2  VAL  25          1HG2      VAL  25   3.968   0.009   5.655
  160   2HG2  VAL  25          2HG2      VAL  25   2.657   0.820   5.119
  161   3HG2  VAL  25          3HG2      VAL  25   3.895   0.510   4.102
  162    H    CYS  26           H        CYS  26   4.283  -1.449   1.811
  163    HA   CYS  26           HA       CYS  26   3.479   0.914   0.168
  164   1HB   CYS  26          HB1       CYS  26   5.991   0.347   1.621
  165   2HB   CYS  26          HB2       CYS  26   5.946   1.452   0.419
  166    H    GLU  27           H        GLU  27   4.556   1.314  -1.952
  167    HA   GLU  27           HA       GLU  27   6.427  -0.775  -3.087
  168   1HB   GLU  27          HB1       GLU  27   3.954   0.410  -4.444
  169   2HB   GLU  27          HB2       GLU  27   5.260  -0.472  -5.273
  170   1HG   GLU  27          HG1       GLU  27   4.630  -2.480  -4.022
  171   2HG   GLU  27          HG2       GLU  27   3.489  -1.678  -3.172
  172    HA   PRO  28           HA       PRO  28   7.989   3.395  -4.196
  173   1HB   PRO  28          HB1       PRO  28   9.051   2.818  -6.712
  174   2HB   PRO  28          HB2       PRO  28   9.858   2.669  -5.300
  175   1HG   PRO  28          HG1       PRO  28   7.876   1.520  -7.339
  176   2HG   PRO  28          HG2       PRO  28   9.278   0.718  -7.090
  177   1HD   PRO  28          HD1       PRO  28   7.283   0.086  -6.285
  178   2HD   PRO  28          HD2       PRO  28   8.166  -0.421  -5.008
  179    H    LYS  29           H        LYS  29   7.648   5.249  -5.780
  180    HA   LYS  29           HA       LYS  29   4.888   5.061  -6.661
  181   1HB   LYS  29          HB1       LYS  29   5.095   7.398  -6.563
  182   2HB   LYS  29          HB2       LYS  29   6.372   7.057  -5.603
  183   1HG   LYS  29          HG1       LYS  29   8.082   6.993  -6.364
  184   2HG   LYS  29          HG2       LYS  29   7.560   7.298  -7.880
  185   1HD   LYS  29          HD1       LYS  29   7.537   8.771  -5.275
  186   2HD   LYS  29          HD2       LYS  29   8.672   9.071  -6.411
  187   1HE   LYS  29          HE1       LYS  29   6.765  10.164  -7.657
  188   2HE   LYS  29          HE2       LYS  29   5.755   9.689  -6.465
  189   1HZ   LYS  29          HZ1       LYS  29   6.378  11.941  -6.257
  190   2HZ   LYS  29          HZ2       LYS  29   7.000  11.051  -4.971
  191   3HZ   LYS  29          HZ3       LYS  29   7.998  11.486  -6.253
  Start of MODEL    6
    1   1H    ALA   1          1H        ALA   1 -10.827  -9.922  -0.406
    2    HA   ALA   1           HA       ALA   1 -10.688  -7.066   0.213
    3   1HB   ALA   1          HB1       ALA   1 -10.011  -7.921   2.443
    4   2HB   ALA   1          HB2       ALA   1 -10.266  -9.465   1.974
    5   3HB   ALA   1          HB3       ALA   1 -11.523  -8.429   2.094
    6    H    THR   2           H        THR   2  -9.250  -7.642  -1.971
    7    HA   THR   2           HA       THR   2  -6.762  -8.952  -1.168
    8    HB   THR   2           HB       THR   2  -6.160  -8.486  -3.541
    9    HG1  THR   2           HG1      THR   2  -7.842  -7.514  -4.877
   10   1HG2  THR   2          1HG2      THR   2  -7.920  -9.890  -4.500
   11   2HG2  THR   2          2HG2      THR   2  -8.903  -9.629  -3.222
   12   3HG2  THR   2          3HG2      THR   2  -7.514 -10.464  -3.026
   13    H    CYS   3           H        CYS   3  -4.644  -7.544  -1.844
   14    HA   CYS   3           HA       CYS   3  -5.070  -5.129  -0.340
   15   1HB   CYS   3          HB1       CYS   3  -2.554  -4.920  -0.749
   16   2HB   CYS   3          HB2       CYS   3  -3.018  -6.200   0.152
   17    H    GLU   4           H        GLU   4  -6.626  -5.138  -2.871
   18    HA   GLU   4           HA       GLU   4  -5.100  -3.138  -4.412
   19   1HB   GLU   4          HB1       GLU   4  -6.791  -3.400  -6.075
   20   2HB   GLU   4          HB2       GLU   4  -6.590  -4.943  -5.579
   21   1HG   GLU   4          HG1       GLU   4  -8.218  -5.393  -4.531
   22   2HG   GLU   4          HG2       GLU   4  -8.552  -3.853  -4.103
   23    H    ASP   5           H        ASP   5  -7.119  -3.206  -1.613
   24    HA   ASP   5           HA       ASP   5  -8.195  -0.552  -2.487
   25   1HB   ASP   5          HB1       ASP   5  -9.919  -1.951  -1.371
   26   2HB   ASP   5          HB2       ASP   5  -8.998  -2.087  -0.028
   27    H    CYS   6           H        CYS   6  -5.488  -2.039  -1.346
   28    HA   CYS   6           HA       CYS   6  -5.015  -0.074   0.789
   29   1HB   CYS   6          HB1       CYS   6  -3.392  -2.319  -0.177
   30   2HB   CYS   6          HB2       CYS   6  -3.229  -1.492   1.222
   31    HA   PRO   7           HA       PRO   7  -1.423  -0.158  -2.502
   32   1HB   PRO   7          HB1       PRO   7  -2.864   0.342  -5.037
   33   2HB   PRO   7          HB2       PRO   7  -1.833  -0.877  -4.698
   34   1HG   PRO   7          HG1       PRO   7  -3.890   1.281  -4.700
   35   2HG   PRO   7          HG2       PRO   7  -4.387  -0.140  -5.332
   36   1HD   PRO   7          HD1       PRO   7  -4.836   0.701  -3.764
   37   2HD   PRO   7          HD2       PRO   7  -5.401  -0.550  -2.878
   38    H    GLU   8           H        GLU   8  -3.745   2.208  -1.953
   39    HA   GLU   8           HA       GLU   8  -2.090   4.350  -3.195
   40   1HB   GLU   8          HB1       GLU   8  -4.612   4.074  -3.542
   41   2HB   GLU   8          HB2       GLU   8  -4.807   4.435  -1.961
   42   1HG   GLU   8          HG1       GLU   8  -4.038   6.402  -1.765
   43   2HG   GLU   8          HG2       GLU   8  -3.565   6.473  -3.326
   44    H    HIS   9           H        HIS   9  -2.889   2.572  -0.240
   45    HA   HIS   9           HA       HIS   9  -3.307   4.887   1.374
   46   1HB   HIS   9          HB1       HIS   9  -4.183   2.658   1.981
   47   2HB   HIS   9          HB2       HIS   9  -2.676   2.077   2.227
   48    HD1  HIS   9           HD1      HIS   9  -3.289   1.565   4.796
   49    HD2  HIS   9           HD2      HIS   9  -3.511   5.473   3.590
   50    HE1  HIS   9           HE1      HIS   9  -3.444   3.078   6.891
   51    HE2  HIS   9           HE2      HIS   9  -3.834   5.344   6.118
   52    H    CYS  10           H        CYS  10  -0.266   3.681   0.074
   53    HA   CYS  10           HA       CYS  10   1.000   4.843   2.498
   54   1HB   CYS  10          HB1       CYS  10   1.634   2.610   2.189
   55   2HB   CYS  10          HB2       CYS  10   2.021   2.833   0.618
   56    H    ALA  11           H        ALA  11  -0.042   5.560  -0.628
   57    HA   ALA  11           HA       ALA  11   2.209   7.161  -1.538
   58   1HB   ALA  11          HB1       ALA  11   0.479   8.187  -2.889
   59   2HB   ALA  11          HB2       ALA  11  -0.723   7.471  -2.046
   60   3HB   ALA  11          HB3       ALA  11   0.272   6.569  -2.976
   61    H    THR  12           H        THR  12  -0.282   7.225   0.910
   62    HA   THR  12           HA       THR  12  -0.665   9.751   1.700
   63    HB   THR  12           HB       THR  12   0.416   7.327   3.216
   64    HG1  THR  12           HG1      THR  12  -1.833   6.826   3.368
   65   1HG2  THR  12          1HG2      THR  12  -0.863   8.312   5.060
   66   2HG2  THR  12          2HG2      THR  12  -1.264   9.613   4.159
   67   3HG2  THR  12          3HG2      THR  12   0.294   9.357   4.578
   68    H    GLN  13           H        GLN  13   2.609   7.925   1.877
   69    HA   GLN  13           HA       GLN  13   3.704  10.643   2.466
   70   1HB   GLN  13          HB1       GLN  13   4.778   8.094   3.571
   71   2HB   GLN  13          HB2       GLN  13   5.251   9.611   3.949
   72   1HG   GLN  13          HG1       GLN  13   3.281  10.332   4.804
   73   2HG   GLN  13          HG2       GLN  13   2.722   8.797   4.797
   74   1HE2  GLN  13          1HE2      GLN  13   2.540   9.533   7.373
   75   2HE2  GLN  13          2HE2      GLN  13   3.898   8.951   8.262
   76    H    ASN  14           H        ASN  14   4.574   7.163   1.252
   77    HA   ASN  14           HA       ASN  14   6.777   8.635  -0.186
   78   1HB   ASN  14          HB1       ASN  14   6.585   5.932   0.950
   79   2HB   ASN  14          HB2       ASN  14   7.743   6.364  -0.117
   80   1HD2  ASN  14          1HD2      ASN  14   8.802   5.272   2.247
   81   2HD2  ASN  14          2HD2      ASN  14   9.080   6.443   3.485
   82    H    ALA  15           H        ALA  15   3.902   6.449  -0.725
   83    HA   ALA  15           HA       ALA  15   5.706   4.952  -2.581
   84   1HB   ALA  15          HB1       ALA  15   4.902   3.096  -1.291
   85   2HB   ALA  15          HB2       ALA  15   4.020   4.076  -0.328
   86   3HB   ALA  15          HB3       ALA  15   5.650   4.182  -0.329
   87    H    ARG  16           H        ARG  16   4.431   2.902  -3.531
   88    HA   ARG  16           HA       ARG  16   1.639   3.698  -3.965
   89   1HB   ARG  16          HB1       ARG  16   3.080   2.945  -5.961
   90   2HB   ARG  16          HB2       ARG  16   3.031   1.433  -5.344
   91   1HG   ARG  16          HG1       ARG  16   1.249   1.036  -6.540
   92   2HG   ARG  16          HG2       ARG  16   0.452   1.888  -5.398
   93   1HD   ARG  16          HD1       ARG  16  -0.088   3.500  -5.605
   94   2HD   ARG  16          HD2       ARG  16   1.180   3.953  -6.531
   95    HE   ARG  16           HE       ARG  16  -1.611   3.479  -6.684
   96   1HH1  ARG  16          2HH1      ARG  16   1.151   2.080  -8.728
   97   2HH1  ARG  16          1HH1      ARG  16   0.124   1.670 -10.049
   98   1HH2  ARG  16          2HH2      ARG  16  -2.959   2.852  -8.567
   99   2HH2  ARG  16          1HH2      ARG  16  -2.255   2.118  -9.962
  100    H    ALA  17           H        ALA  17   0.905   0.364  -3.798
  101    HA   ALA  17           HA       ALA  17   2.248  -0.033  -1.213
  102   1HB   ALA  17          HB1       ALA  17   0.250   0.206   0.080
  103   2HB   ALA  17          HB2       ALA  17  -0.570   0.756  -1.220
  104   3HB   ALA  17          HB3       ALA  17   0.694   1.606  -0.632
  105    H    LYS  18           H        LYS  18   1.858  -2.049  -0.029
  106    HA   LYS  18           HA       LYS  18   0.153  -4.289  -1.073
  107   1HB   LYS  18          HB1       LYS  18   3.132  -4.560  -1.038
  108   2HB   LYS  18          HB2       LYS  18   2.044  -5.501  -1.809
  109   1HG   LYS  18          HG1       LYS  18   1.870  -3.351  -3.198
  110   2HG   LYS  18          HG2       LYS  18   3.108  -4.384  -3.458
  111   1HD   LYS  18          HD1       LYS  18   0.626  -5.766  -3.284
  112   2HD   LYS  18          HD2       LYS  18   0.813  -4.860  -4.631
  113   1HE   LYS  18          HE1       LYS  18   1.485  -7.227  -4.572
  114   2HE   LYS  18          HE2       LYS  18   2.657  -6.231  -5.118
  115   1HZ   LYS  18          HZ1       LYS  18   3.293  -7.981  -3.612
  116   2HZ   LYS  18          HZ2       LYS  18   3.436  -6.537  -2.766
  117   3HZ   LYS  18          HZ3       LYS  18   2.079  -7.507  -2.551
  118    H    CYS  19           H        CYS  19   1.925  -5.708   2.123
  119    HA   CYS  19           HA       CYS  19  -0.800  -5.870   1.359
  120   1HB   CYS  19          HB1       CYS  19   1.146  -7.921   0.301
  121   2HB   CYS  19          HB2       CYS  19  -0.425  -8.275   0.572
  122    H    ASP  20           H        ASP  20  -0.735  -5.823   3.901
  123    HA   ASP  20           HA       ASP  20   2.049  -6.169   4.601
  124   1HB   ASP  20          HB1       ASP  20   0.722  -4.244   5.019
  125   2HB   ASP  20          HB2       ASP  20  -0.187  -5.073   6.092
  126    H    ASN  21           H        ASN  21   1.511  -6.607   7.696
  127    HA   ASN  21           HA       ASN  21   1.531  -9.412   7.615
  128   1HB   ASN  21          HB1       ASN  21   1.351  -9.297   9.901
  129   2HB   ASN  21          HB2       ASN  21   2.328  -8.059   9.475
  130   1HD2  ASN  21          1HD2      ASN  21   1.406  -7.720  12.095
  131   2HD2  ASN  21          2HD2      ASN  21   0.370  -6.345  12.075
  132    H    ASP  22           H        ASP  22  -1.098  -7.009   7.321
  133    HA   ASP  22           HA       ASP  22  -2.482  -9.279   6.350
  134   1HB   ASP  22          HB1       ASP  22  -3.014  -9.306   8.797
  135   2HB   ASP  22          HB2       ASP  22  -3.723  -7.842   8.661
  136    H    LYS  23           H        LYS  23  -1.845  -5.726   6.137
  137    HA   LYS  23           HA       LYS  23  -4.507  -5.266   4.993
  138   1HB   LYS  23          HB1       LYS  23  -5.054  -4.003   7.286
  139   2HB   LYS  23          HB2       LYS  23  -5.212  -5.629   7.244
  140   1HG   LYS  23          HG1       LYS  23  -4.055  -4.043   9.033
  141   2HG   LYS  23          HG2       LYS  23  -3.627  -5.614   8.896
  142   1HD   LYS  23          HD1       LYS  23  -2.061  -3.804   7.499
  143   2HD   LYS  23          HD2       LYS  23  -2.958  -2.790   8.413
  144   1HE   LYS  23          HE1       LYS  23  -2.167  -3.247  10.415
  145   2HE   LYS  23          HE2       LYS  23  -1.517  -4.672   9.952
  146   1HZ   LYS  23          HZ1       LYS  23   0.070  -2.891  10.388
  147   2HZ   LYS  23          HZ2       LYS  23   0.098  -3.273   8.754
  148   3HZ   LYS  23          HZ3       LYS  23  -0.751  -1.924   9.280
  149    H    CYS  24           H        CYS  24  -2.653  -1.801   4.389
  150    HA   CYS  24           HA       CYS  24  -1.257  -4.343   4.045
  151   1HB   CYS  24          HB1       CYS  24  -2.451  -2.578   2.081
  152   2HB   CYS  24          HB2       CYS  24  -1.200  -3.571   1.742
  153    H    VAL  25           H        VAL  25   1.211  -3.274   2.924
  154    HA   VAL  25           HA       VAL  25   1.081  -0.454   3.801
  155    HB   VAL  25           HB       VAL  25   2.187  -1.770   5.553
  156   1HG1  VAL  25          1HG1      VAL  25   4.339  -2.832   5.066
  157   2HG1  VAL  25          2HG1      VAL  25   4.209  -2.480   3.477
  158   3HG1  VAL  25          3HG1      VAL  25   3.162  -3.523   4.169
  159   1HG2  VAL  25          1HG2      VAL  25   4.220  -0.424   5.666
  160   2HG2  VAL  25          2HG2      VAL  25   2.955   0.490   5.187
  161   3HG2  VAL  25          3HG2      VAL  25   4.075   0.011   4.099
  162    H    CYS  26           H        CYS  26   4.468  -1.083   2.432
  163    HA   CYS  26           HA       CYS  26   3.318   0.799   0.442
  164   1HB   CYS  26          HB1       CYS  26   6.142   0.542   1.431
  165   2HB   CYS  26          HB2       CYS  26   5.510   1.837   0.661
  166    H    GLU  27           H        GLU  27   4.490   1.259  -1.708
  167    HA   GLU  27           HA       GLU  27   6.483  -0.794  -2.716
  168   1HB   GLU  27          HB1       GLU  27   5.017   0.501  -4.707
  169   2HB   GLU  27          HB2       GLU  27   5.400  -1.078  -4.546
  170   1HG   GLU  27          HG1       GLU  27   4.837  -2.404  -4.071
  171   2HG   GLU  27          HG2       GLU  27   3.668  -1.698  -3.175
  172    HA   PRO  28           HA       PRO  28   8.016   3.473  -3.727
  173   1HB   PRO  28          HB1       PRO  28   9.262   3.086  -6.101
  174   2HB   PRO  28          HB2       PRO  28   9.950   2.689  -4.675
  175   1HG   PRO  28          HG1       PRO  28   8.115   1.597  -6.870
  176   2HG   PRO  28          HG2       PRO  28   9.535   0.851  -6.564
  177   1HD   PRO  28          HD1       PRO  28   7.444   0.104  -5.760
  178   2HD   PRO  28          HD2       PRO  28   8.386  -0.310  -4.492
  179    H    LYS  29           H        LYS  29   7.698   5.256  -5.414
  180    HA   LYS  29           HA       LYS  29   4.968   5.011  -6.343
  181   1HB   LYS  29          HB1       LYS  29   5.220   7.353  -6.455
  182   2HB   LYS  29          HB2       LYS  29   6.379   7.033  -5.351
  183   1HG   LYS  29          HG1       LYS  29   8.185   6.773  -6.278
  184   2HG   LYS  29          HG2       LYS  29   7.599   7.309  -7.705
  185   1HD   LYS  29          HD1       LYS  29   7.769   8.530  -4.989
  186   2HD   LYS  29          HD2       LYS  29   8.864   8.876  -6.149
  187   1HE   LYS  29          HE1       LYS  29   6.897  10.081  -7.197
  188   2HE   LYS  29          HE2       LYS  29   5.979   9.564  -5.950
  189   1HZ   LYS  29          HZ1       LYS  29   6.673  11.762  -5.586
  190   2HZ   LYS  29          HZ2       LYS  29   7.328  10.725  -4.435
  191   3HZ   LYS  29          HZ3       LYS  29   8.274  11.266  -5.716
  Start of MODEL    7
    1   1H    ALA   1          1H        ALA   1  -5.742  -8.524   2.582
    2    HA   ALA   1           HA       ALA   1  -6.691 -10.027   0.942
    3   1HB   ALA   1          HB1       ALA   1  -9.077 -10.322   0.994
    4   2HB   ALA   1          HB2       ALA   1  -9.217  -9.529   2.415
    5   3HB   ALA   1          HB3       ALA   1  -8.426 -10.956   2.351
    6    H    THR   2           H        THR   2  -8.618  -9.050  -0.730
    7    HA   THR   2           HA       THR   2  -8.559  -7.394  -2.294
    8    HB   THR   2           HB       THR   2 -10.739  -7.094  -1.162
    9    HG1  THR   2           HG1      THR   2 -11.008  -4.851  -1.804
   10   1HG2  THR   2          1HG2      THR   2 -10.988  -5.368   0.544
   11   2HG2  THR   2          2HG2      THR   2  -9.381  -5.085   0.579
   12   3HG2  THR   2          3HG2      THR   2  -9.968  -6.520   1.091
   13    H    CYS   3           H        CYS   3  -5.922  -7.382  -1.444
   14    HA   CYS   3           HA       CYS   3  -5.501  -4.785  -0.331
   15   1HB   CYS   3          HB1       CYS   3  -3.103  -5.373  -0.615
   16   2HB   CYS   3          HB2       CYS   3  -3.947  -6.348   0.387
   17    H    GLU   4           H        GLU   4  -6.969  -5.014  -3.053
   18    HA   GLU   4           HA       GLU   4  -5.179  -3.351  -4.674
   19   1HB   GLU   4          HB1       GLU   4  -7.003  -3.395  -6.267
   20   2HB   GLU   4          HB2       GLU   4  -6.960  -4.939  -5.732
   21   1HG   GLU   4          HG1       GLU   4  -8.642  -5.079  -4.542
   22   2HG   GLU   4          HG2       GLU   4  -8.754  -3.473  -4.268
   23    H    ASP   5           H        ASP   5  -7.210  -2.987  -1.900
   24    HA   ASP   5           HA       ASP   5  -7.822  -0.188  -2.816
   25   1HB   ASP   5          HB1       ASP   5  -9.226  -2.008  -0.975
   26   2HB   ASP   5          HB2       ASP   5  -9.215  -0.417  -0.607
   27    H    CYS   6           H        CYS   6  -5.506  -2.088  -1.419
   28    HA   CYS   6           HA       CYS   6  -4.918  -0.188   0.737
   29   1HB   CYS   6          HB1       CYS   6  -3.387  -2.463  -0.362
   30   2HB   CYS   6          HB2       CYS   6  -3.084  -1.657   1.025
   31    HA   PRO   7           HA       PRO   7  -1.162  -0.228  -2.248
   32   1HB   PRO   7          HB1       PRO   7  -2.157   0.093  -4.951
   33   2HB   PRO   7          HB2       PRO   7  -1.262  -1.141  -4.364
   34   1HG   PRO   7          HG1       PRO   7  -3.481   0.851  -4.780
   35   2HG   PRO   7          HG2       PRO   7  -3.738  -0.642  -5.387
   36   1HD   PRO   7          HD1       PRO   7  -4.447   0.214  -3.892
   37   2HD   PRO   7          HD2       PRO   7  -4.958  -1.026  -2.961
   38    H    GLU   8           H        GLU   8  -3.815   2.003  -2.364
   39    HA   GLU   8           HA       GLU   8  -1.987   4.056  -3.448
   40   1HB   GLU   8          HB1       GLU   8  -4.875   3.981  -2.801
   41   2HB   GLU   8          HB2       GLU   8  -4.094   5.400  -3.004
   42   1HG   GLU   8          HG1       GLU   8  -3.786   4.107  -5.318
   43   2HG   GLU   8          HG2       GLU   8  -4.608   2.888  -4.608
   44    H    HIS   9           H        HIS   9  -2.564   2.496  -0.470
   45    HA   HIS   9           HA       HIS   9  -3.280   4.919   0.951
   46   1HB   HIS   9          HB1       HIS   9  -4.056   2.564   1.450
   47   2HB   HIS   9          HB2       HIS   9  -2.570   2.219   2.031
   48    HD1  HIS   9           HD1      HIS   9  -4.225   1.596   4.222
   49    HD2  HIS   9           HD2      HIS   9  -3.170   5.463   3.387
   50    HE1  HIS   9           HE1      HIS   9  -4.584   3.036   6.357
   51    HE2  HIS   9           HE2      HIS   9  -3.759   5.253   5.867
   52    H    CYS  10           H        CYS  10  -0.156   3.209   0.179
   53    HA   CYS  10           HA       CYS  10   1.021   4.840   2.347
   54   1HB   CYS  10          HB1       CYS  10   1.813   2.544   1.968
   55   2HB   CYS  10          HB2       CYS  10   2.443   3.015   0.537
   56    H    ALA  11           H        ALA  11  -0.175   5.471  -0.663
   57    HA   ALA  11           HA       ALA  11   2.041   7.006  -1.723
   58   1HB   ALA  11          HB1       ALA  11   0.279   8.049  -3.002
   59   2HB   ALA  11          HB2       ALA  11  -0.894   7.364  -2.095
   60   3HB   ALA  11          HB3       ALA  11   0.044   6.434  -3.056
   61    H    THR  12           H        THR  12  -0.158   7.219   0.983
   62    HA   THR  12           HA       THR  12  -0.322   9.993   1.246
   63    HB   THR  12           HB       THR  12  -0.022   7.684   3.252
   64    HG1  THR  12           HG1      THR  12  -2.352   7.714   3.127
   65   1HG2  THR  12          1HG2      THR  12  -1.270   9.209   4.710
   66   2HG2  THR  12          2HG2      THR  12  -1.258  10.385   3.577
   67   3HG2  THR  12          3HG2      THR  12   0.140   9.904   4.269
   68    H    GLN  13           H        GLN  13   2.334   7.603   2.235
   69    HA   GLN  13           HA       GLN  13   3.838   9.998   3.225
   70   1HB   GLN  13          HB1       GLN  13   3.960   7.043   3.801
   71   2HB   GLN  13          HB2       GLN  13   5.075   8.093   4.367
   72   1HG   GLN  13          HG1       GLN  13   2.253   8.588   4.822
   73   2HG   GLN  13          HG2       GLN  13   2.991   7.506   5.798
   74   1HE2  GLN  13          1HE2      GLN  13   1.645  10.419   5.969
   75   2HE2  GLN  13          2HE2      GLN  13   2.907  11.473   6.475
   76    H    ASN  14           H        ASN  14   4.396   6.683   1.624
   77    HA   ASN  14           HA       ASN  14   6.787   8.066   0.552
   78   1HB   ASN  14          HB1       ASN  14   6.045   5.191   0.967
   79   2HB   ASN  14          HB2       ASN  14   7.352   5.620   0.086
   80   1HD2  ASN  14          1HD2      ASN  14   7.906   8.022   2.099
   81   2HD2  ASN  14          2HD2      ASN  14   8.476   7.215   3.513
   82    H    ALA  15           H        ALA  15   4.334   5.461  -0.692
   83    HA   ALA  15           HA       ALA  15   4.399   7.067  -3.113
   84   1HB   ALA  15          HB1       ALA  15   5.791   5.399  -4.216
   85   2HB   ALA  15          HB2       ALA  15   5.993   4.591  -2.811
   86   3HB   ALA  15          HB3       ALA  15   6.583   6.104  -2.975
   87    H    ARG  16           H        ARG  16   4.129   3.363  -2.303
   88    HA   ARG  16           HA       ARG  16   1.402   3.702  -3.192
   89   1HB   ARG  16          HB1       ARG  16   2.246   3.659  -5.199
   90   2HB   ARG  16          HB2       ARG  16   3.392   2.538  -4.881
   91   1HG   ARG  16          HG1       ARG  16   1.006   1.266  -5.360
   92   2HG   ARG  16          HG2       ARG  16   0.298   2.679  -4.951
   93   1HD   ARG  16          HD1       ARG  16   1.994   2.711  -7.226
   94   2HD   ARG  16          HD2       ARG  16   1.121   1.331  -7.263
   95    HE   ARG  16           HE       ARG  16  -0.930   2.513  -6.724
   96   1HH1  ARG  16          2HH1      ARG  16   1.443   1.910  -9.453
   97   2HH1  ARG  16          1HH1      ARG  16   0.263   2.060 -10.701
   98   1HH2  ARG  16          2HH2      ARG  16  -2.541   2.767  -8.509
   99   2HH2  ARG  16          1HH2      ARG  16  -2.062   2.561 -10.153
  100    H    ALA  17           H        ALA  17   1.010   0.439  -3.432
  101    HA   ALA  17           HA       ALA  17   2.407  -0.256  -0.967
  102   1HB   ALA  17          HB1       ALA  17   0.478  -0.373   0.427
  103   2HB   ALA  17          HB2       ALA  17  -0.433   0.375  -0.703
  104   3HB   ALA  17          HB3       ALA  17   0.830   1.156  -0.025
  105    H    LYS  18           H        LYS  18   1.367  -2.250   0.232
  106    HA   LYS  18           HA       LYS  18   0.262  -4.506  -1.185
  107   1HB   LYS  18          HB1       LYS  18   3.221  -4.639  -0.610
  108   2HB   LYS  18          HB2       LYS  18   2.356  -5.607  -1.601
  109   1HG   LYS  18          HG1       LYS  18   2.752  -3.479  -3.001
  110   2HG   LYS  18          HG2       LYS  18   3.517  -4.918  -3.100
  111   1HD   LYS  18          HD1       LYS  18   0.859  -5.495  -3.338
  112   2HD   LYS  18          HD2       LYS  18   1.742  -5.063  -4.643
  113   1HE   LYS  18          HE1       LYS  18   1.763  -7.320  -4.446
  114   2HE   LYS  18          HE2       LYS  18   3.279  -6.763  -4.204
  115   1HZ   LYS  18          HZ1       LYS  18   2.740  -8.464  -2.784
  116   2HZ   LYS  18          HZ2       LYS  18   2.956  -7.042  -1.913
  117   3HZ   LYS  18          HZ3       LYS  18   1.405  -7.599  -2.246
  118    H    CYS  19           H        CYS  19   1.069  -5.545   2.450
  119    HA   CYS  19           HA       CYS  19  -1.245  -5.912   1.228
  120   1HB   CYS  19          HB1       CYS  19  -0.179  -6.546  -0.957
  121   2HB   CYS  19          HB2       CYS  19   0.767  -7.663  -0.234
  122    H    ASP  20           H        ASP  20  -0.463  -5.723   3.686
  123    HA   ASP  20           HA       ASP  20   1.677  -7.525   4.431
  124   1HB   ASP  20          HB1       ASP  20   1.694  -5.341   5.020
  125   2HB   ASP  20          HB2       ASP  20   0.180  -5.369   5.632
  126    H    ASN  21           H        ASN  21   0.703  -7.918   7.422
  127    HA   ASN  21           HA       ASN  21  -0.195 -10.494   6.939
  128   1HB   ASN  21          HB1       ASN  21  -1.041 -10.409   9.208
  129   2HB   ASN  21          HB2       ASN  21   0.543 -10.044   9.048
  130   1HD2  ASN  21          1HD2      ASN  21  -1.558  -9.695  11.304
  131   2HD2  ASN  21          2HD2      ASN  21  -1.898  -8.016  11.492
  132    H    ASP  22           H        ASP  22  -2.070  -7.421   7.191
  133    HA   ASP  22           HA       ASP  22  -3.930  -8.786   5.503
  134   1HB   ASP  22          HB1       ASP  22  -4.851  -9.262   7.790
  135   2HB   ASP  22          HB2       ASP  22  -5.005  -7.659   8.056
  136    H    LYS  23           H        LYS  23  -2.365  -5.987   6.902
  137    HA   LYS  23           HA       LYS  23  -4.237  -4.176   5.439
  138   1HB   LYS  23          HB1       LYS  23  -3.448  -2.753   7.615
  139   2HB   LYS  23          HB2       LYS  23  -4.672  -3.819   7.795
  140   1HG   LYS  23          HG1       LYS  23  -2.554  -3.163   9.229
  141   2HG   LYS  23          HG2       LYS  23  -3.174  -4.669   9.355
  142   1HD   LYS  23          HD1       LYS  23  -1.035  -3.324   7.721
  143   2HD   LYS  23          HD2       LYS  23  -1.384  -2.442   9.052
  144   1HE   LYS  23          HE1       LYS  23   0.371  -3.265   9.837
  145   2HE   LYS  23          HE2       LYS  23  -1.011  -3.138  10.697
  146   1HZ   LYS  23          HZ1       LYS  23   0.152  -5.243  11.091
  147   2HZ   LYS  23          HZ2       LYS  23  -1.298  -5.549  10.312
  148   3HZ   LYS  23          HZ3       LYS  23   0.131  -5.532   9.441
  149    H    CYS  24           H        CYS  24  -3.021  -2.564   4.094
  150    HA   CYS  24           HA       CYS  24  -0.503  -3.985   3.520
  151   1HB   CYS  24          HB1       CYS  24  -2.316  -2.142   2.114
  152   2HB   CYS  24          HB2       CYS  24  -1.145  -3.038   1.411
  153    H    VAL  25           H        VAL  25   1.572  -2.733   2.861
  154    HA   VAL  25           HA       VAL  25   1.209   0.152   2.890
  155    HB   VAL  25           HB       VAL  25   1.606  -0.414   5.217
  156   1HG1  VAL  25          1HG1      VAL  25   3.777  -1.383   5.835
  157   2HG1  VAL  25          2HG1      VAL  25   4.188  -1.576   4.267
  158   3HG1  VAL  25          3HG1      VAL  25   2.942  -2.423   4.895
  159   1HG2  VAL  25          1HG2      VAL  25   3.503   1.063   5.568
  160   2HG2  VAL  25          2HG2      VAL  25   2.518   1.669   4.417
  161   3HG2  VAL  25          3HG2      VAL  25   3.932   0.972   3.996
  162    H    CYS  26           H        CYS  26   4.651   0.192   2.757
  163    HA   CYS  26           HA       CYS  26   3.777   1.324   0.373
  164   1HB   CYS  26          HB1       CYS  26   6.638   1.114   1.191
  165   2HB   CYS  26          HB2       CYS  26   5.884   2.397   0.518
  166    H    GLU  27           H        GLU  27   4.541   1.483  -1.813
  167    HA   GLU  27           HA       GLU  27   6.493  -0.550  -2.874
  168   1HB   GLU  27          HB1       GLU  27   4.051   0.655  -4.278
  169   2HB   GLU  27          HB2       GLU  27   5.394  -0.179  -5.094
  170   1HG   GLU  27          HG1       GLU  27   4.700  -2.249  -4.053
  171   2HG   GLU  27          HG2       GLU  27   3.570  -1.511  -3.134
  172    HA   PRO  28           HA       PRO  28   8.002   3.668  -4.020
  173   1HB   PRO  28          HB1       PRO  28   9.418   3.141  -6.234
  174   2HB   PRO  28          HB2       PRO  28   9.946   2.660  -4.765
  175   1HG   PRO  28          HG1       PRO  28   8.213   1.612  -7.040
  176   2HG   PRO  28          HG2       PRO  28   9.578   0.827  -6.602
  177   1HD   PRO  28          HD1       PRO  28   7.401   0.178  -5.872
  178   2HD   PRO  28          HD2       PRO  28   8.331  -0.151  -4.570
  179    H    LYS  29           H        LYS  29   7.727   5.433  -5.648
  180    HA   LYS  29           HA       LYS  29   5.088   5.227  -6.782
  181   1HB   LYS  29          HB1       LYS  29   5.385   7.543  -6.890
  182   2HB   LYS  29          HB2       LYS  29   6.499   7.215  -5.741
  183   1HG   LYS  29          HG1       LYS  29   8.340   6.948  -6.532
  184   2HG   LYS  29          HG2       LYS  29   7.860   7.448  -8.012
  185   1HD   LYS  29          HD1       LYS  29   7.895   8.714  -5.310
  186   2HD   LYS  29          HD2       LYS  29   9.049   9.029  -6.421
  187   1HE   LYS  29          HE1       LYS  29   7.187  10.259  -7.602
  188   2HE   LYS  29          HE2       LYS  29   6.185   9.811  -6.392
  189   1HZ   LYS  29          HZ1       LYS  29   6.930  11.997  -6.044
  190   2HZ   LYS  29          HZ2       LYS  29   7.483  10.969  -4.829
  191   3HZ   LYS  29          HZ3       LYS  29   8.520  11.446  -6.070
  Start of MODEL    8
    1   1H    ALA   1          1H        ALA   1 -10.613  -7.332   0.183
    2    HA   ALA   1           HA       ALA   1 -11.067  -7.948  -2.027
    3   1HB   ALA   1          HB1       ALA   1 -10.992  -6.124  -3.719
    4   2HB   ALA   1          HB2       ALA   1 -10.886  -4.991  -2.548
    5   3HB   ALA   1          HB3       ALA   1 -12.247  -5.880  -2.701
    6    H    THR   2           H        THR   2  -9.020  -8.604  -0.620
    7    HA   THR   2           HA       THR   2  -6.753  -8.844  -0.430
    8    HB   THR   2           HB       THR   2  -5.450  -8.700  -2.505
    9    HG1  THR   2           HG1      THR   2  -6.534  -8.017  -4.458
   10   1HG2  THR   2          1HG2      THR   2  -6.829 -10.300  -3.750
   11   2HG2  THR   2          2HG2      THR   2  -8.160  -9.894  -2.896
   12   3HG2  THR   2          3HG2      THR   2  -6.906 -10.628  -2.152
   13    H    CYS   3           H        CYS   3  -4.508  -7.495  -1.282
   14    HA   CYS   3           HA       CYS   3  -4.968  -4.822  -0.310
   15   1HB   CYS   3          HB1       CYS   3  -2.520  -4.767  -0.527
   16   2HB   CYS   3          HB2       CYS   3  -2.943  -6.118   0.288
   17    H    GLU   4           H        GLU   4  -6.693  -4.553  -2.011
   18    HA   GLU   4           HA       GLU   4  -5.525  -3.692  -4.640
   19   1HB   GLU   4          HB1       GLU   4  -7.666  -4.689  -5.000
   20   2HB   GLU   4          HB2       GLU   4  -8.274  -4.244  -3.550
   21   1HG   GLU   4          HG1       GLU   4  -8.979  -3.509  -5.796
   22   2HG   GLU   4          HG2       GLU   4  -8.632  -2.251  -4.813
   23    H    ASP   5           H        ASP   5  -7.174  -2.590  -1.501
   24    HA   ASP   5           HA       ASP   5  -7.231   0.100  -2.643
   25   1HB   ASP   5          HB1       ASP   5  -8.864  -0.494  -0.925
   26   2HB   ASP   5          HB2       ASP   5  -7.701  -0.905   0.146
   27    H    CYS   6           H        CYS   6  -5.434  -1.432   0.195
   28    HA   CYS   6           HA       CYS   6  -3.695   0.451   0.879
   29   1HB   CYS   6          HB1       CYS   6  -2.448  -2.000   0.280
   30   2HB   CYS   6          HB2       CYS   6  -2.576  -1.165   1.679
   31    HA   PRO   7           HA       PRO   7  -0.979  -0.084  -3.555
   32   1HB   PRO   7          HB1       PRO   7  -3.750  -0.334  -4.610
   33   2HB   PRO   7          HB2       PRO   7  -2.347  -0.510  -5.428
   34   1HG   PRO   7          HG1       PRO   7  -3.064  -2.613  -4.563
   35   2HG   PRO   7          HG2       PRO   7  -1.543  -2.196  -4.141
   36   1HD   PRO   7          HD1       PRO   7  -4.023  -2.009  -2.459
   37   2HD   PRO   7          HD2       PRO   7  -2.394  -2.554  -1.958
   38    H    GLU   8           H        GLU   8  -3.615   1.802  -2.022
   39    HA   GLU   8           HA       GLU   8  -2.716   4.244  -3.361
   40   1HB   GLU   8          HB1       GLU   8  -5.068   3.511  -3.466
   41   2HB   GLU   8          HB2       GLU   8  -5.138   3.370  -1.841
   42   1HG   GLU   8          HG1       GLU   8  -4.687   5.737  -1.632
   43   2HG   GLU   8          HG2       GLU   8  -4.843   5.867  -3.253
   44    H    HIS   9           H        HIS   9  -3.388   2.467  -0.203
   45    HA   HIS   9           HA       HIS   9  -3.576   4.840   1.326
   46   1HB   HIS   9          HB1       HIS   9  -4.530   2.790   2.148
   47   2HB   HIS   9          HB2       HIS   9  -3.087   2.024   2.191
   48    HD1  HIS   9           HD1      HIS   9  -4.655   5.315   3.391
   49    HD2  HIS   9           HD2      HIS   9  -2.579   2.113   4.879
   50    HE1  HIS   9           HE1      HIS   9  -4.309   5.747   5.859
   51    HE2  HIS   9           HE2      HIS   9  -3.009   3.829   6.765
   52    H    CYS  10           H        CYS  10  -0.587   3.465  -0.012
   53    HA   CYS  10           HA       CYS  10   0.769   4.653   2.366
   54   1HB   CYS  10          HB1       CYS  10   1.413   2.415   1.995
   55   2HB   CYS  10          HB2       CYS  10   1.803   2.699   0.434
   56    H    ALA  11           H        ALA  11  -0.261   5.294  -0.824
   57    HA   ALA  11           HA       ALA  11   1.992   6.979  -1.585
   58   1HB   ALA  11          HB1       ALA  11   0.348   7.897  -3.106
   59   2HB   ALA  11          HB2       ALA  11  -0.888   7.125  -2.368
   60   3HB   ALA  11          HB3       ALA  11   0.239   6.270  -3.185
   61    H    THR  12           H        THR  12  -0.562   6.933   0.765
   62    HA   THR  12           HA       THR  12  -1.109   9.548   1.328
   63    HB   THR  12           HB       THR  12  -0.270   7.178   3.078
   64    HG1  THR  12           HG1      THR  12  -2.539   6.712   2.978
   65   1HG2  THR  12          1HG2      THR  12  -1.756   8.254   4.702
   66   2HG2  THR  12          2HG2      THR  12  -2.020   9.518   3.702
   67   3HG2  THR  12          3HG2      THR  12  -0.532   9.267   4.325
   68    H    GLN  13           H        GLN  13   2.074   7.725   1.869
   69    HA   GLN  13           HA       GLN  13   3.149  10.307   3.005
   70   1HB   GLN  13          HB1       GLN  13   3.626   7.382   3.746
   71   2HB   GLN  13          HB2       GLN  13   4.703   8.534   4.170
   72   1HG   GLN  13          HG1       GLN  13   1.923   8.423   4.883
   73   2HG   GLN  13          HG2       GLN  13   3.078   7.623   5.718
   74   1HE2  GLN  13          1HE2      GLN  13   2.176   9.155   7.624
   75   2HE2  GLN  13          2HE2      GLN  13   2.944  10.696   7.699
   76    H    ASN  14           H        ASN  14   4.048   7.064   1.429
   77    HA   ASN  14           HA       ASN  14   6.602   8.474   0.714
   78   1HB   ASN  14          HB1       ASN  14   6.830   6.866   2.447
   79   2HB   ASN  14          HB2       ASN  14   5.813   5.794   1.752
   80   1HD2  ASN  14          1HD2      ASN  14   7.967   4.280   2.337
   81   2HD2  ASN  14          2HD2      ASN  14   9.344   4.457   1.310
   82    H    ALA  15           H        ALA  15   3.963   6.149  -0.354
   83    HA   ALA  15           HA       ALA  15   5.925   5.403  -2.418
   84   1HB   ALA  15          HB1       ALA  15   5.576   3.159  -1.565
   85   2HB   ALA  15          HB2       ALA  15   4.606   3.717  -0.376
   86   3HB   ALA  15          HB3       ALA  15   6.184   4.137  -0.407
   87    H    ARG  16           H        ARG  16   4.527   2.959  -3.154
   88    HA   ARG  16           HA       ARG  16   1.874   3.945  -3.779
   89   1HB   ARG  16          HB1       ARG  16   3.144   3.724  -5.762
   90   2HB   ARG  16          HB2       ARG  16   3.674   2.231  -5.364
   91   1HG   ARG  16          HG1       ARG  16   1.523   1.495  -6.262
   92   2HG   ARG  16          HG2       ARG  16   0.806   2.882  -5.780
   93   1HD   ARG  16          HD1       ARG  16   2.872   3.195  -7.666
   94   2HD   ARG  16          HD2       ARG  16   2.406   1.645  -7.892
   95    HE   ARG  16           HE       ARG  16   1.120   1.917  -9.380
   96   1HH1  ARG  16          2HH1      ARG  16   0.337   4.490  -6.790
   97   2HH1  ARG  16          1HH1      ARG  16  -1.154   4.925  -7.515
   98   1HH2  ARG  16          2HH2      ARG  16  -0.999   2.592 -10.271
   99   2HH2  ARG  16          1HH2      ARG  16  -1.925   3.842  -9.523
  100    H    ALA  17           H        ALA  17   1.491   0.469  -4.207
  101    HA   ALA  17           HA       ALA  17   2.488   0.067  -1.511
  102   1HB   ALA  17          HB1       ALA  17   0.400  -0.037  -0.510
  103   2HB   ALA  17          HB2       ALA  17  -0.298   0.527  -1.874
  104   3HB   ALA  17          HB3       ALA  17   0.795   1.442  -1.077
  105    H    LYS  18           H        LYS  18   2.000  -1.906  -0.291
  106    HA   LYS  18           HA       LYS  18   1.530  -4.251  -2.067
  107   1HB   LYS  18          HB1       LYS  18   3.258  -4.185   0.383
  108   2HB   LYS  18          HB2       LYS  18   3.224  -5.342  -0.770
  109   1HG   LYS  18          HG1       LYS  18   4.457  -3.291  -1.823
  110   2HG   LYS  18          HG2       LYS  18   5.196  -4.505  -1.019
  111   1HD   LYS  18          HD1       LYS  18   3.841  -6.153  -2.361
  112   2HD   LYS  18          HD2       LYS  18   3.766  -4.950  -3.463
  113   1HE   LYS  18          HE1       LYS  18   5.602  -6.105  -4.067
  114   2HE   LYS  18          HE2       LYS  18   6.103  -4.663  -3.490
  115   1HZ   LYS  18          HZ1       LYS  18   7.440  -6.247  -2.634
  116   2HZ   LYS  18          HZ2       LYS  18   6.599  -5.420  -1.439
  117   3HZ   LYS  18          HZ3       LYS  18   6.118  -6.968  -1.892
  118    H    CYS  19           H        CYS  19   2.127  -5.943   0.638
  119    HA   CYS  19           HA       CYS  19  -0.621  -5.781   1.573
  120   1HB   CYS  19          HB1       CYS  19   1.123  -8.140   0.857
  121   2HB   CYS  19          HB2       CYS  19  -0.494  -8.177   1.093
  122    H    ASP  20           H        ASP  20  -0.484  -6.086   4.174
  123    HA   ASP  20           HA       ASP  20   2.366  -5.989   5.021
  124   1HB   ASP  20          HB1       ASP  20   0.733  -4.134   5.469
  125   2HB   ASP  20          HB2       ASP  20   0.004  -5.115   6.553
  126    H    ASN  21           H        ASN  21   1.266  -6.823   8.038
  127    HA   ASN  21           HA       ASN  21   1.461  -9.617   7.331
  128   1HB   ASN  21          HB1       ASN  21   0.709  -9.934   9.624
  129   2HB   ASN  21          HB2       ASN  21   2.100  -9.090   9.480
  130   1HD2  ASN  21          1HD2      ASN  21   0.393  -9.276  11.972
  131   2HD2  ASN  21          2HD2      ASN  21  -0.539  -7.838  12.161
  132    H    ASP  22           H        ASP  22  -1.240  -7.304   8.200
  133    HA   ASP  22           HA       ASP  22  -2.993  -9.177   6.745
  134   1HB   ASP  22          HB1       ASP  22  -3.399  -8.004   9.463
  135   2HB   ASP  22          HB2       ASP  22  -4.688  -8.378   8.532
  136    H    LYS  23           H        LYS  23  -2.022  -5.976   8.017
  137    HA   LYS  23           HA       LYS  23  -4.323  -4.796   6.585
  138   1HB   LYS  23          HB1       LYS  23  -3.856  -3.031   8.670
  139   2HB   LYS  23          HB2       LYS  23  -4.580  -4.436   9.081
  140   1HG   LYS  23          HG1       LYS  23  -2.830  -3.460  10.527
  141   2HG   LYS  23          HG2       LYS  23  -2.536  -5.020  10.143
  142   1HD   LYS  23          HD1       LYS  23  -0.890  -3.404  10.341
  143   2HD   LYS  23          HD2       LYS  23  -0.945  -3.903   8.787
  144   1HE   LYS  23          HE1       LYS  23  -2.567  -1.765   8.914
  145   2HE   LYS  23          HE2       LYS  23  -1.661  -1.475  10.241
  146   1HZ   LYS  23          HZ1       LYS  23  -0.658  -0.385   8.419
  147   2HZ   LYS  23          HZ2       LYS  23   0.327  -1.615   8.999
  148   3HZ   LYS  23          HZ3       LYS  23  -0.590  -1.859   7.609
  149    H    CYS  24           H        CYS  24  -3.330  -4.737   4.708
  150    HA   CYS  24           HA       CYS  24  -0.784  -4.468   4.005
  151   1HB   CYS  24          HB1       CYS  24  -2.128  -3.547   2.069
  152   2HB   CYS  24          HB2       CYS  24  -1.881  -5.102   2.507
  153    H    VAL  25           H        VAL  25   0.522  -2.930   2.513
  154    HA   VAL  25           HA       VAL  25   0.389  -0.181   3.416
  155    HB   VAL  25           HB       VAL  25   1.280  -1.289   5.420
  156   1HG1  VAL  25          1HG1      VAL  25   3.462  -2.397   5.279
  157   2HG1  VAL  25          2HG1      VAL  25   3.510  -2.205   3.658
  158   3HG1  VAL  25          3HG1      VAL  25   2.384  -3.177   4.332
  159   1HG2  VAL  25          1HG2      VAL  25   3.298   0.063   5.612
  160   2HG2  VAL  25          2HG2      VAL  25   2.114   0.921   4.886
  161   3HG2  VAL  25          3HG2      VAL  25   3.344   0.315   3.999
  162    H    CYS  26           H        CYS  26   3.989  -0.945   2.535
  163    HA   CYS  26           HA       CYS  26   3.210   0.820   0.259
  164   1HB   CYS  26          HB1       CYS  26   5.894   0.371   1.520
  165   2HB   CYS  26          HB2       CYS  26   5.450   1.680   0.651
  166    H    GLU  27           H        GLU  27   4.337   1.020  -1.893
  167    HA   GLU  27           HA       GLU  27   6.386  -1.041  -2.841
  168   1HB   GLU  27          HB1       GLU  27   4.065   0.196  -4.415
  169   2HB   GLU  27          HB2       GLU  27   5.485  -0.582  -5.153
  170   1HG   GLU  27          HG1       GLU  27   4.756  -2.664  -4.402
  171   2HG   GLU  27          HG2       GLU  27   3.683  -2.049  -3.335
  172    HA   PRO  28           HA       PRO  28   7.829   3.241  -4.092
  173   1HB   PRO  28          HB1       PRO  28   9.072   2.775  -6.484
  174   2HB   PRO  28          HB2       PRO  28   9.777   2.366  -5.069
  175   1HG   PRO  28          HG1       PRO  28   7.880   1.272  -7.183
  176   2HG   PRO  28          HG2       PRO  28   9.315   0.550  -6.894
  177   1HD   PRO  28          HD1       PRO  28   7.263  -0.233  -6.018
  178   2HD   PRO  28          HD2       PRO  28   8.308  -0.559  -4.806
  179    H    LYS  29           H        LYS  29   7.324   5.026  -5.659
  180    HA   LYS  29           HA       LYS  29   4.663   4.688  -6.719
  181   1HB   LYS  29          HB1       LYS  29   4.828   7.010  -6.780
  182   2HB   LYS  29          HB2       LYS  29   6.070   6.762  -5.748
  183   1HG   LYS  29          HG1       LYS  29   7.824   6.624  -6.505
  184   2HG   LYS  29          HG2       LYS  29   7.311   6.938  -8.024
  185   1HD   LYS  29          HD1       LYS  29   7.284   8.400  -5.410
  186   2HD   LYS  29          HD2       LYS  29   8.414   8.711  -6.547
  187   1HE   LYS  29          HE1       LYS  29   6.484   9.786  -7.771
  188   2HE   LYS  29          HE2       LYS  29   5.502   9.321  -6.552
  189   1HZ   LYS  29          HZ1       LYS  29   6.120  11.562  -6.309
  190   2HZ   LYS  29          HZ2       LYS  29   6.744  10.633  -5.049
  191   3HZ   LYS  29          HZ3       LYS  29   7.739  11.107  -6.323
  Start of MODEL    9
    1   1H    ALA   1          1H        ALA   1  -5.434  -9.575   0.370
    2    HA   ALA   1           HA       ALA   1  -8.188 -10.485   0.770
    3   1HB   ALA   1          HB1       ALA   1  -7.978  -9.150   2.848
    4   2HB   ALA   1          HB2       ALA   1  -6.406  -8.835   2.537
    5   3HB   ALA   1          HB3       ALA   1  -6.883 -10.362   2.865
    6    H    THR   2           H        THR   2  -7.784  -9.371  -1.643
    7    HA   THR   2           HA       THR   2  -7.816  -7.564  -2.976
    8    HB   THR   2           HB       THR   2  -9.605  -5.903  -2.535
    9    HG1  THR   2           HG1      THR   2 -10.875  -6.171  -0.605
   10   1HG2  THR   2          1HG2      THR   2 -11.410  -7.564  -2.482
   11   2HG2  THR   2          2HG2      THR   2 -10.395  -8.723  -1.942
   12   3HG2  THR   2          3HG2      THR   2 -10.195  -8.094  -3.435
   13    H    CYS   3           H        CYS   3  -5.549  -7.595  -1.330
   14    HA   CYS   3           HA       CYS   3  -5.487  -4.998  -0.125
   15   1HB   CYS   3          HB1       CYS   3  -3.168  -5.549   0.373
   16   2HB   CYS   3          HB2       CYS   3  -4.164  -6.737   0.887
   17    H    GLU   4           H        GLU   4  -6.188  -5.311  -3.113
   18    HA   GLU   4           HA       GLU   4  -4.371  -3.409  -4.258
   19   1HB   GLU   4          HB1       GLU   4  -6.318  -3.132  -5.819
   20   2HB   GLU   4          HB2       GLU   4  -5.891  -4.707  -5.740
   21   1HG   GLU   4          HG1       GLU   4  -7.809  -4.929  -4.258
   22   2HG   GLU   4          HG2       GLU   4  -7.863  -3.309  -4.059
   23    H    ASP   5           H        ASP   5  -6.278  -3.028  -1.412
   24    HA   ASP   5           HA       ASP   5  -7.895  -0.891  -2.666
   25   1HB   ASP   5          HB1       ASP   5  -9.068  -2.709  -1.512
   26   2HB   ASP   5          HB2       ASP   5  -8.428  -2.268  -0.076
   27    H    CYS   6           H        CYS   6  -5.736   1.190   0.257
   28    HA   CYS   6           HA       CYS   6  -4.264  -0.282   1.212
   29   1HB   CYS   6          HB1       CYS   6  -5.082  -2.247  -0.801
   30   2HB   CYS   6          HB2       CYS   6  -3.744  -2.397   0.125
   31    HA   PRO   7           HA       PRO   7  -1.362  -0.076  -2.462
   32   1HB   PRO   7          HB1       PRO   7  -1.900   0.188  -4.993
   33   2HB   PRO   7          HB2       PRO   7  -2.793  -1.132  -4.171
   34   1HG   PRO   7          HG1       PRO   7  -3.800   1.658  -4.487
   35   2HG   PRO   7          HG2       PRO   7  -4.490   0.307  -5.093
   36   1HD   PRO   7          HD1       PRO   7  -4.692   1.186  -3.502
   37   2HD   PRO   7          HD2       PRO   7  -5.426   0.027  -2.617
   38    H    GLU   8           H        GLU   8  -3.672   2.429  -1.979
   39    HA   GLU   8           HA       GLU   8  -1.942   4.515  -3.168
   40   1HB   GLU   8          HB1       GLU   8  -4.481   4.084  -3.523
   41   2HB   GLU   8          HB2       GLU   8  -4.653   4.704  -2.022
   42   1HG   GLU   8          HG1       GLU   8  -4.152   6.592  -1.832
   43   2HG   GLU   8          HG2       GLU   8  -3.472   6.707  -3.312
   44    H    HIS   9           H        HIS   9  -2.819   2.682  -0.339
   45    HA   HIS   9           HA       HIS   9  -3.082   4.963   1.379
   46   1HB   HIS   9          HB1       HIS   9  -4.214   2.830   1.826
   47   2HB   HIS   9          HB2       HIS   9  -2.789   2.066   2.063
   48    HD1  HIS   9           HD1      HIS   9  -1.479   2.600   4.332
   49    HD2  HIS   9           HD2      HIS   9  -5.049   4.476   3.723
   50    HE1  HIS   9           HE1      HIS   9  -2.167   3.716   6.562
   51    HE2  HIS   9           HE2      HIS   9  -4.368   4.683   6.222
   52    H    CYS  10           H        CYS  10  -0.165   3.707  -0.034
   53    HA   CYS  10           HA       CYS  10   1.197   4.504   2.499
   54   1HB   CYS  10          HB1       CYS  10   1.636   2.273   1.514
   55   2HB   CYS  10          HB2       CYS  10   2.387   3.020   0.270
   56    H    ALA  11           H        ALA  11   0.180   5.514  -0.641
   57    HA   ALA  11           HA       ALA  11   2.385   7.306  -1.249
   58   1HB   ALA  11          HB1       ALA  11   0.681   8.347  -2.628
   59   2HB   ALA  11          HB2       ALA  11  -0.523   7.496  -1.927
   60   3HB   ALA  11          HB3       ALA  11   0.581   6.733  -2.856
   61    H    THR  12           H        THR  12  -0.299   7.073   1.004
   62    HA   THR  12           HA       THR  12  -0.822   9.534   1.963
   63    HB   THR  12           HB       THR  12   0.185   6.999   3.349
   64    HG1  THR  12           HG1      THR  12  -2.045   6.431   3.274
   65   1HG2  THR  12          1HG2      THR  12  -1.276   7.782   5.156
   66   2HG2  THR  12          2HG2      THR  12  -1.628   9.154   4.345
   67   3HG2  THR  12          3HG2      THR  12  -0.106   8.886   4.873
   68    H    GLN  13           H        GLN  13   2.389   7.707   2.279
   69    HA   GLN  13           HA       GLN  13   3.455  10.198   3.557
   70   1HB   GLN  13          HB1       GLN  13   4.094   7.234   3.954
   71   2HB   GLN  13          HB2       GLN  13   5.116   8.395   4.479
   72   1HG   GLN  13          HG1       GLN  13   2.368   8.174   5.297
   73   2HG   GLN  13          HG2       GLN  13   3.471   7.125   5.888
   74   1HE2  GLN  13          1HE2      GLN  13   4.702  10.462   5.366
   75   2HE2  GLN  13          2HE2      GLN  13   4.515  10.956   7.001
   76    H    ASN  14           H        ASN  14   4.514   7.061   1.756
   77    HA   ASN  14           HA       ASN  14   6.522   8.872   0.495
   78   1HB   ASN  14          HB1       ASN  14   8.154   7.215   1.111
   79   2HB   ASN  14          HB2       ASN  14   7.506   7.961   2.411
   80   1HD2  ASN  14          1HD2      ASN  14   8.849   5.595   3.160
   81   2HD2  ASN  14          2HD2      ASN  14   7.749   4.273   3.298
   82    H    ALA  15           H        ALA  15   4.118   6.427  -0.269
   83    HA   ALA  15           HA       ALA  15   5.946   5.551  -2.371
   84   1HB   ALA  15          HB1       ALA  15   5.678   3.246  -1.623
   85   2HB   ALA  15          HB2       ALA  15   4.875   3.741  -0.292
   86   3HB   ALA  15          HB3       ALA  15   6.436   4.166  -0.509
   87    H    ARG  16           H        ARG  16   4.220   3.029  -2.759
   88    HA   ARG  16           HA       ARG  16   1.691   4.125  -3.722
   89   1HB   ARG  16          HB1       ARG  16   3.408   3.560  -5.567
   90   2HB   ARG  16          HB2       ARG  16   3.312   1.998  -5.098
   91   1HG   ARG  16          HG1       ARG  16   1.936   1.644  -6.622
   92   2HG   ARG  16          HG2       ARG  16   0.883   2.098  -5.459
   93   1HD   ARG  16          HD1       ARG  16   0.117   3.831  -5.847
   94   2HD   ARG  16          HD2       ARG  16   1.431   4.402  -6.631
   95    HE   ARG  16           HE       ARG  16  -0.284   2.193  -7.647
   96   1HH1  ARG  16          2HH1      ARG  16  -0.078   5.867  -7.514
   97   2HH1  ARG  16          1HH1      ARG  16  -1.266   6.127  -8.732
   98   1HH2  ARG  16          2HH2      ARG  16  -1.982   2.630  -9.348
   99   2HH2  ARG  16          1HH2      ARG  16  -2.374   4.251  -9.798
  100    H    ALA  17           H        ALA  17   0.862   0.873  -3.925
  101    HA   ALA  17           HA       ALA  17   2.316   0.107  -1.595
  102   1HB   ALA  17          HB1       ALA  17   0.538  -0.075  -0.036
  103   2HB   ALA  17          HB2       ALA  17  -0.429   0.780  -1.037
  104   3HB   ALA  17          HB3       ALA  17   0.924   1.462  -0.430
  105    H    LYS  18           H        LYS  18   1.088  -1.870  -0.230
  106    HA   LYS  18           HA       LYS  18   0.219  -3.816  -2.220
  107   1HB   LYS  18          HB1       LYS  18   2.521  -4.359  -0.291
  108   2HB   LYS  18          HB2       LYS  18   2.025  -5.353  -1.489
  109   1HG   LYS  18          HG1       LYS  18   3.340  -3.185  -2.362
  110   2HG   LYS  18          HG2       LYS  18   3.797  -4.753  -2.366
  111   1HD   LYS  18          HD1       LYS  18   1.581  -5.331  -3.402
  112   2HD   LYS  18          HD2       LYS  18   2.154  -4.111  -4.324
  113   1HE   LYS  18          HE1       LYS  18   2.943  -6.396  -4.905
  114   2HE   LYS  18          HE2       LYS  18   4.229  -5.509  -4.429
  115   1HZ   LYS  18          HZ1       LYS  18   4.181  -7.595  -3.488
  116   2HZ   LYS  18          HZ2       LYS  18   3.992  -6.426  -2.300
  117   3HZ   LYS  18          HZ3       LYS  18   2.658  -7.288  -2.857
  118    H    CYS  19           H        CYS  19   1.550  -4.832   1.120
  119    HA   CYS  19           HA       CYS  19  -1.248  -5.513   1.584
  120   1HB   CYS  19          HB1       CYS  19  -0.039  -6.633  -0.407
  121   2HB   CYS  19          HB2       CYS  19   0.817  -7.486   0.692
  122    H    ASP  20           H        ASP  20  -1.149  -5.644   4.088
  123    HA   ASP  20           HA       ASP  20   1.646  -5.452   4.990
  124   1HB   ASP  20          HB1       ASP  20  -0.140  -3.745   5.258
  125   2HB   ASP  20          HB2       ASP  20  -0.797  -4.705   6.404
  126    H    ASN  21           H        ASN  21   0.692  -6.210   8.030
  127    HA   ASN  21           HA       ASN  21   1.204  -8.969   7.844
  128   1HB   ASN  21          HB1       ASN  21   1.071  -7.771  10.033
  129   2HB   ASN  21          HB2       ASN  21  -0.552  -7.648   9.897
  130   1HD2  ASN  21          1HD2      ASN  21   1.277 -10.602   8.865
  131   2HD2  ASN  21          2HD2      ASN  21   0.582 -11.585  10.092
  132    H    ASP  22           H        ASP  22  -1.881  -7.028   7.589
  133    HA   ASP  22           HA       ASP  22  -2.574  -8.980   5.620
  134   1HB   ASP  22          HB1       ASP  22  -3.519  -9.907   7.713
  135   2HB   ASP  22          HB2       ASP  22  -4.452  -8.576   7.876
  136    H    LYS  23           H        LYS  23  -2.147  -5.694   6.296
  137    HA   LYS  23           HA       LYS  23  -4.751  -4.915   5.190
  138   1HB   LYS  23          HB1       LYS  23  -5.215  -3.909   7.591
  139   2HB   LYS  23          HB2       LYS  23  -5.370  -5.527   7.437
  140   1HG   LYS  23          HG1       LYS  23  -4.227  -4.284   9.426
  141   2HG   LYS  23          HG2       LYS  23  -3.672  -5.753   8.975
  142   1HD   LYS  23          HD1       LYS  23  -2.258  -3.621   7.978
  143   2HD   LYS  23          HD2       LYS  23  -3.291  -2.825   8.961
  144   1HE   LYS  23          HE1       LYS  23  -2.451  -3.420  10.938
  145   2HE   LYS  23          HE2       LYS  23  -1.634  -4.695  10.326
  146   1HZ   LYS  23          HZ1       LYS  23  -0.336  -2.742  10.994
  147   2HZ   LYS  23          HZ2       LYS  23  -0.264  -2.893   9.327
  148   3HZ   LYS  23          HZ3       LYS  23  -1.314  -1.785  10.011
  149    H    CYS  24           H        CYS  24  -2.747  -1.634   4.622
  150    HA   CYS  24           HA       CYS  24  -1.913  -4.272   3.612
  151   1HB   CYS  24          HB1       CYS  24  -3.717  -2.206   2.563
  152   2HB   CYS  24          HB2       CYS  24  -2.705  -2.958   1.524
  153    H    VAL  25           H        VAL  25   0.530  -3.459   2.719
  154    HA   VAL  25           HA       VAL  25   0.799  -0.710   1.674
  155    HB   VAL  25           HB       VAL  25   0.328  -0.253   4.066
  156   1HG1  VAL  25          1HG1      VAL  25   1.944  -1.031   5.713
  157   2HG1  VAL  25          2HG1      VAL  25   2.765  -1.886   4.591
  158   3HG1  VAL  25          3HG1      VAL  25   1.242  -2.316   4.993
  159   1HG2  VAL  25          1HG2      VAL  25   2.283   0.989   4.556
  160   2HG2  VAL  25          2HG2      VAL  25   1.894   1.164   2.981
  161   3HG2  VAL  25          3HG2      VAL  25   3.148   0.211   3.410
  162    H    CYS  26           H        CYS  26   4.492  -2.242   1.153
  163    HA   CYS  26           HA       CYS  26   3.050   0.255   0.224
  164   1HB   CYS  26          HB1       CYS  26   5.976   0.065   0.959
  165   2HB   CYS  26          HB2       CYS  26   5.250   1.357   0.270
  166    H    GLU  27           H        GLU  27   4.145   0.942  -2.090
  167    HA   GLU  27           HA       GLU  27   6.224  -0.980  -3.197
  168   1HB   GLU  27          HB1       GLU  27   4.117   0.366  -4.761
  169   2HB   GLU  27          HB2       GLU  27   5.395  -0.453  -5.365
  170   1HG   GLU  27          HG1       GLU  27   4.719  -2.470  -4.401
  171   2HG   GLU  27          HG2       GLU  27   3.302  -1.775  -3.982
  172    HA   PRO  28           HA       PRO  28   7.519   3.396  -4.129
  173   1HB   PRO  28          HB1       PRO  28   9.226   2.882  -6.197
  174   2HB   PRO  28          HB2       PRO  28   9.676   2.699  -4.639
  175   1HG   PRO  28          HG1       PRO  28   8.344   1.255  -6.987
  176   2HG   PRO  28          HG2       PRO  28   9.732   0.668  -6.358
  177   1HD   PRO  28          HD1       PRO  28   7.560  -0.166  -5.872
  178   2HD   PRO  28          HD2       PRO  28   8.287  -0.426  -4.433
  179    H    LYS  29           H        LYS  29   7.416   4.939  -6.231
  180    HA   LYS  29           HA       LYS  29   4.983   4.283  -7.629
  181   1HB   LYS  29          HB1       LYS  29   5.638   6.590  -7.331
  182   2HB   LYS  29          HB2       LYS  29   7.115   6.358  -7.988
  183   1HG   LYS  29          HG1       LYS  29   5.605   7.510  -9.461
  184   2HG   LYS  29          HG2       LYS  29   5.796   6.008 -10.071
  185   1HD   LYS  29          HD1       LYS  29   3.421   6.450 -10.109
  186   2HD   LYS  29          HD2       LYS  29   3.668   5.413  -8.872
  187   1HE   LYS  29          HE1       LYS  29   2.265   7.076  -8.032
  188   2HE   LYS  29          HE2       LYS  29   3.705   7.125  -7.265
  189   1HZ   LYS  29          HZ1       LYS  29   2.995   9.299  -7.810
  190   2HZ   LYS  29          HZ2       LYS  29   4.417   8.911  -8.614
  191   3HZ   LYS  29          HZ3       LYS  29   2.949   8.860  -9.433