*HEADER    TOXIN                                   16-SEP-13   2MDQ              
*TITLE     A NOVEL 4/7-CONOTOXIN LVIA FROM CONUS LIVIDUS THAT SELECTIVELY BLOCKS 
*TITLE    2 3 2 VS. 6/3 2 3 NICOTINIC ACETYLCHOLINE RECEPTORS                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALPHA-CONOTOXIN-LIKE;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS LIVIDUS;                                  
*SOURCE   4 ORGANISM_COMMON: LIVID CONE;                                         
*SOURCE   5 ORGANISM_TAXID: 89426                                                
*KEYWDS    CONOTOXIN, DISULFIDE RICH, TOXIN, ALFA-CONOTOXINS, NICOTINIC          
*KEYWDS   2 ACETYLCHOLINE RECEPTOR                                               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    C.I.SCHROEDER                                                         
*REVDAT   1   12-FEB-14 2MDQ    0                                                


!# 14 GLU  H      14 GLU  HB2     3.36            #peak 5
!# 14 GLU  H      14 GLU  HB3     3.11            #peak 6
!#  2 CYSS H       2 CYSS HB3     3.02            #peak 11
!#  2 CYSS H       2 CYSS HB2     3.24            #peak 12
!#  3 CYSS H       3 CYSS HB2     2.77            #peak 19
!#  3 CYSS H       3 CYSS HB3     3.42            #peak 20
!#  9 ASN  H       9 ASN  HB2     2.71            #peak 25
!#  9 ASN  H       9 ASN  HB3     2.80            #peak 26
!#  9 ASN  H       9 ASN  HA      3.00            #peak 27
!# 15 ILE  H      15 ILE  HB      4.11            #peak 42
!# 10 VAL  H      10 VAL  HB      2.96            #peak 45
!# 12 HIS  H      12 HIS  HB2     3.27            #peak 47
!# 12 HIS  H      12 HIS  HB3     3.42            #peak 48
!#  5 HIS  H       5 HIS  QB      4.02            #peak 51
!# 16 CYSS H      16 CYSS HB3     3.61            #peak 53
!# 16 CYSS H      16 CYSS HB2     2.80            #peak 54
!#  2 CYSS HA      3 CYSS H       3.30            #peak 74
!#  2 CYSS HB3     3 CYSS H       3.61            #peak 75
!#  2 CYSS HB2     3 CYSS H       3.14            #peak 76
!# 14 GLU  H      15 ILE  H       3.45            #peak 77
!# 15 ILE  HA     16 CYSS H       3.42            #peak 78
!# 15 ILE  HB     16 CYSS H       3.14            #peak 79
!# 13 PRO  HA     14 GLU  H       3.30            #peak 83
!# 13 PRO  QB     14 GLU  H       4.62            #peak 86
!# 12 HIS  HA     14 GLU  H       5.13            #peak 87
!# 15 ILE  H      16 CYSS H       2.56            #peak 90
!#  9 ASN  HB3    10 VAL  H       2.83            #peak 92
!#  9 ASN  HB2    10 VAL  H       3.45            #peak 93
!#  9 ASN  HA     10 VAL  H       3.42            #peak 94
!#  7 ALA  H       8 CYSS H       3.17            #peak 96
!#  8 CYSS QB      9 ASN  H       4.99            #peak 99
!#  8 CYSS H       9 ASN  H       2.74            #peak 102
!#  2 CYSS H       3 CYSS H       3.76            #peak 107
!# 12 HIS  HA     12 HIS  HB2     2.87            #peak 109
!# 16 CYSS HA     16 CYSS HB2     2.80            #peak 114
!#  3 CYSS HA      4 SER  QB      5.67            #peak 119
!# 14 GLU  HA     14 GLU  HB3     2.83            #peak 124
!# 14 GLU  HA     14 GLU  HB2     2.99            #peak 125
!#  2 CYSS HA      2 CYSS HB3     2.87            #peak 128
!#  2 CYSS HA      2 CYSS HB2     2.71            #peak 129
!#  3 CYSS HA      3 CYSS HB2     3.02            #peak 131
!#  9 ASN  HA      9 ASN  HB3     2.87            #peak 133
!# 10 VAL  HA     10 VAL  HB      2.93            #peak 137
!#  6 PRO  HA      7 ALA  H       3.55            #peak 148
!#  6 PRO  QB      7 ALA  H       4.40            #peak 153
!#  6 PRO  HA      9 ASN  HB3     3.42            #peak 171
!#  6 PRO  HA      9 ASN  HB2     3.08            #peak 172
!#  5 HIS  HA      6 PRO  QB      6.38            #peak 185
!#  5 HIS  QB      7 ALA  H       5.08            #peak 187
!#  4 SER  H       4 SER  QB      4.18            #peak 189
!#  3 CYSS HA      5 HIS  H       4.20            #peak 190
!#  4 SER  QB      5 HIS  H       5.86            #peak 192
!#  3 CYSS HA      4 SER  H       3.30            #peak 193
!#  3 CYSS HB2     4 SER  H       3.24            #peak 194
!#  3 CYSS HB3     4 SER  H       3.33            #peak 195
!#  4 SER  H       5 HIS  H       2.68            #peak 196
!#  3 CYSS H       4 SER  H       2.99            #peak 197
!#  1 GLY  QA      3 CYSS H       5.54            #peak 199
!#  3 CYSS H       9 ASN  HA      4.20            #peak 202
!#  5 HIS  QB      8 CYSS H       4.64            #peak 213
!#  7 ALA  HA     10 VAL  H       4.35            #peak 217
!#  4 SER  HA      5 HIS  HA      5.41            #peak 220
!#  2 CYSS HA      5 HIS  QB      5.17            #peak 223
!#  3 CYSS HA      5 HIS  QB      4.50            #peak 224
!# 11 ASP  HA     12 HIS  H       3.14            #peak 240
!# 11 ASP  HA     11 ASP  HB3     2.96            #peak 243
!# 11 ASP  HA     11 ASP  HB2     2.90            #peak 244
!# 14 GLU  H      14 GLU  HG3     5.50            #peak 3
!# 14 GLU  H      14 GLU  HG2     5.50            #peak 4
!# 15 ILE  HG13   16 CYSS H       5.50            #peak 80
!# 15 ILE  HG12   16 CYSS H       5.50            #peak 81
!# 16 CYSS H      16 CYS  H1      5.50            #peak 89
!#  6 PRO  HG3     7 ALA  H       5.50            #peak 151
!#  6 PRO  HG2     7 ALA  H       5.50            #peak 152
!#  5 HIS  HA      6 PRO  HD2     2.83            #peak 166
!#  5 HIS  HA      6 PRO  HD3     2.83            #peak 167
!# 12 HIS  HA     13 PRO  HD2     3.52            #peak 168
!# 12 HIS  HA     13 PRO  HD3     3.52            #peak 169
!# 12 HIS  HB2    15 ILE  HB      4.07            #peak 180
!# 12 HIS  HB3    15 ILE  HB      5.50            #peak 181
!#  5 HIS  HA      6 PRO  HG2     5.50            #peak 184
!#  3 CYSS HA      9 ASN  HB2     4.88            #peak 203
!# 16 CYSS HB2    16 CYS  H1      5.22            #peak 208
!# 16 CYSS HB3    16 CYS  H1      3.95            #peak 209
!#  9 ASN  HA     12 HIS  CD2     4.76            #peak 210
!# 13 PRO  HA     16 CYS  H2      5.50            #peak 211
!# 13 PRO  HA     16 CYS  H1      4.94            #peak 212
!#  4 SER  QB      5 HIS  CD2     6.38            #peak 215
!#  2 CYSS HA      5 HIS  CD2     4.57            #peak 216
!#  3 CYSS HA      9 ASN  HB3     4.85            #peak 222
!#  5 HIS  HA      6 PRO  HG3     5.50            #peak 225
!# 11 ASP  HA     13 PRO  HD3     5.50            #peak 241
!# 11 ASP  HA     13 PRO  HD2     5.50            #peak 242
!#  7 ALA  H       7 ALA  QB      4.19            #peak 37
!# 15 ILE  H      15 ILE  QG2     6.52            #peak 43
!# 10 VAL  H      10 VAL  QQG     5.77            #peak 44
!# 15 ILE  QG2    16 CYSS H       5.71            #peak 82
!#  7 ALA  QB      8 CYSS H       5.34            #peak 101
!#  7 ALA  QB      8 CYSS HA      6.52            #peak 170
!#  6 PRO  HA      7 ALA  QB      6.52            #peak 174
!# 15 ILE  HA     15 ILE  QD1     6.27            #peak 176
!# 12 HIS  HB2    15 ILE  QD1     5.44            #peak 177
!# 12 HIS  HB3    15 ILE  QD1     6.52            #peak 183
!#  7 ALA  HA     10 VAL  QQG     7.17            #peak 198
!#  3 CYSS HA      9 ASN  QD2     5.34            #peak 214
!#  5 HIS  HA      6 PRO  QD      2.34            #peak 166
!#  6 PRO  QD      7 ALA  H       4.45            #peak 150
!#  6 PRO  QD      7 ALA  QB      6.29            #peak 186
!#  8 CYSS QB      9 ASN  QD2     5.35            #peak 103
!#  9 ASN  H       9 ASN  QD2     5.34            #peak 91
!#  9 ASN  HA      9 ASN  QD2     4.58            #peak 70
!#  9 ASN  HB2     9 ASN  QD2     3.26            #peak 65
!# 12 HIS  HA     13 PRO  QD      2.70            #peak 168
!# 12 HIS  HB2    15 ILE  QG1     4.23            #peak 178
!# 12 HIS  HB3    15 ILE  QG1     4.23            #peak 182
!# 13 PRO  QG     14 GLU  H       5.03            #peak 85
!# 13 PRO  QD     14 GLU  H       4.67            #peak 84
!# 15 ILE  H      15 ILE  QG1     5.34            #peak 219
assign (resid  14 and name   HN)   (resid  14 and name  HB2)   2.580    0.780    0.780  
assign (resid  14 and name   HN)   (resid  14 and name  HB1)   2.455    0.655    0.655  
assign (resid   2 and name   HN)   (resid   2 and name  HB1)   2.710    0.610    0.610  
assign (resid   2 and name   HN)   (resid   2 and name  HB2)   2.520    0.720    0.720  
assign (resid   3 and name   HN)   (resid   3 and name  HB2)   2.285    0.485    0.485  
assign (resid   3 and name   HN)   (resid   3 and name  HB1)   2.610    0.810    0.810  
assign (resid   9 and name   HN)   (resid   9 and name  HB2)   2.255    0.455    0.455  
assign (resid   9 and name   HN)   (resid   9 and name  HB1)   2.300    0.500    0.500  
assign (resid   9 and name   HN)   (resid   9 and name   HA)   2.400    0.600    0.600  
assign (resid  15 and name   HN)   (resid  15 and name   HB)   2.955    1.155    1.155  
assign (resid  10 and name   HN)   (resid  10 and name   HB)   2.380    0.580    0.580  
assign (resid  12 and name   HN)   (resid  12 and name  HB2)   2.535    0.735    0.735  
assign (resid  12 and name   HN)   (resid  12 and name  HB1)   2.610    0.810    0.810  
assign (resid   5 and name   HN)   (resid   5 and name  HB#)   2.910    1.110    1.110  
assign (resid  16 and name   HN)   (resid  16 and name  HB1)   2.705    0.905    0.905  
assign (resid  16 and name   HN)   (resid  16 and name  HB2)   2.300    0.500    0.500  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.550    0.750    0.750  
assign (resid   2 and name  HB1)   (resid   3 and name   HN)   2.705    0.905    0.905  
assign (resid   2 and name  HB2)   (resid   3 and name   HN)   2.470    0.670    0.670  
assign (resid  14 and name   HN)   (resid  15 and name   HN)   2.625    0.825    0.825  
assign (resid  15 and name   HA)   (resid  16 and name   HN)   2.610    0.810    0.810  
assign (resid  15 and name   HB)   (resid  16 and name   HN)   2.470    0.670    0.670  
assign (resid  13 and name   HA)   (resid  14 and name   HN)   2.550    0.750    0.750  
assign (resid  13 and name  HB#)   (resid  14 and name   HN)   3.210    1.410    1.410  
assign (resid  12 and name   HA)   (resid  14 and name   HN)   3.465    1.665    1.665  
assign (resid  15 and name   HN)   (resid  16 and name   HN)   2.180    0.380    0.380  
assign (resid   9 and name  HB1)   (resid  10 and name   HN)   2.315    0.515    0.515  
assign (resid   9 and name  HB2)   (resid  10 and name   HN)   2.625    0.825    0.825  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.610    0.810    0.810  
assign (resid   7 and name   HN)   (resid   8 and name   HN)   2.485    0.685    0.685  
assign (resid   8 and name  HB#)   (resid   9 and name   HN)   3.395    1.595    1.595  
assign (resid   8 and name   HN)   (resid   9 and name   HN)   2.270    0.470    0.470  
assign (resid   2 and name   HN)   (resid   3 and name   HN)   2.780    0.980    0.980  
assign (resid  12 and name   HA)   (resid  12 and name  HB2)   2.335    0.535    0.535  
assign (resid  16 and name   HA)   (resid  16 and name  HB2)   2.300    0.500    0.500  
assign (resid   3 and name   HA)   (resid   4 and name  HB#)   3.735    1.935    1.935  
assign (resid  14 and name   HA)   (resid  14 and name  HB1)   2.315    0.515    0.515  
assign (resid  14 and name   HA)   (resid  14 and name  HB2)   2.395    0.595    0.595  
assign (resid   2 and name   HA)   (resid   2 and name  HB1)   2.335    0.535    0.535  
assign (resid   2 and name   HA)   (resid   2 and name  HB2)   2.255    0.455    0.455  
assign (resid   3 and name   HA)   (resid   3 and name  HB2)   2.410    0.610    0.610  
assign (resid   9 and name   HA)   (resid   9 and name  HB1)   2.335    0.535    0.535  
assign (resid  10 and name   HA)   (resid  10 and name   HB)   2.365    0.565    0.565  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.675    0.875    0.875  
assign (resid   6 and name  HB#)   (resid   7 and name   HN)   3.100    1.300    1.300  
assign (resid   6 and name   HA)   (resid   9 and name  HB1)   2.610    0.810    0.810  
assign (resid   6 and name   HA)   (resid   9 and name  HB2)   2.440    0.640    0.640  
assign (resid   5 and name   HA)   (resid   6 and name  HB#)   4.090    2.290    2.290  
assign (resid   5 and name  HB#)   (resid   7 and name   HN)   3.440    1.640    1.640  
assign (resid   4 and name   HN)   (resid   4 and name  HB#)   2.990    1.190    1.190  
assign (resid   3 and name   HA)   (resid   5 and name   HN)   3.000    1.200    1.200  
assign (resid   4 and name  HB#)   (resid   5 and name   HN)   3.830    2.030    2.030  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.550    0.750    0.750  
assign (resid   3 and name  HB2)   (resid   4 and name   HN)   2.520    0.720    0.720  
assign (resid   3 and name  HB1)   (resid   4 and name   HN)   2.565    0.765    0.765  
assign (resid   4 and name   HN)   (resid   5 and name   HN)   2.240    0.440    0.440  
assign (resid   3 and name   HN)   (resid   4 and name   HN)   2.395    0.595    0.595  
assign (resid   1 and name  HA#)   (resid   3 and name   HN)   3.670    1.870    1.870  
assign (resid   5 and name  HB#)   (resid   8 and name   HN)   3.220    1.420    1.420  
assign (resid   7 and name   HA)   (resid  10 and name   HN)   3.075    1.275    1.275  
assign (resid   4 and name   HA)   (resid   5 and name   HA)   3.605    1.805    1.805  
assign (resid   2 and name   HA)   (resid   5 and name  HB#)   3.485    1.685    1.685  
assign (resid   3 and name   HA)   (resid   5 and name  HB#)   3.150    1.350    1.350  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.470    0.670    0.670  
assign (resid  11 and name   HA)   (resid  11 and name  HB1)   2.380    0.580    0.580  
assign (resid  11 and name   HA)   (resid  11 and name  HB2)   2.350    0.550    0.550  
assign (resid  14 and name   HN)   (resid  14 and name  HG1)   3.650    1.850    1.850  
assign (resid  14 and name   HN)   (resid  14 and name  HG2)   3.650    1.850    1.850  
assign (resid  15 and name HG11)   (resid  16 and name   HN)   3.650    1.850    1.850  
assign (resid  15 and name HG12)   (resid  16 and name   HN)   3.650    1.850    1.850  
assign (resid  16 and name   HN)   (resid  16 and name   H1)   3.650    1.850    1.850  
assign (resid   6 and name  HG1)   (resid   7 and name   HN)   3.650    1.850    1.850  
assign (resid   6 and name  HG2)   (resid   7 and name   HN)   3.650    1.850    1.850  
assign (resid   5 and name   HA)   (resid   6 and name  HD2)   2.315    0.515    0.515  
assign (resid   5 and name   HA)   (resid   6 and name  HD1)   2.315    0.515    0.515  
assign (resid  12 and name   HA)   (resid  13 and name  HD2)   2.660    0.860    0.860  
assign (resid  12 and name   HA)   (resid  13 and name  HD1)   2.660    0.860    0.860  
assign (resid  12 and name  HB2)   (resid  15 and name   HB)   2.935    1.135    1.135  
assign (resid  12 and name  HB1)   (resid  15 and name   HB)   3.650    1.850    1.850  
assign (resid   5 and name   HA)   (resid   6 and name  HG2)   3.650    1.850    1.850  
assign (resid   3 and name   HA)   (resid   9 and name  HB2)   3.340    1.540    1.540  
assign (resid  16 and name  HB2)   (resid  16 and name   H1)   3.510    1.710    1.710  
assign (resid  16 and name  HB1)   (resid  16 and name   H1)   2.875    1.075    1.075  
assign (resid   9 and name   HA)   (resid  12 and name  CD2)   3.280    1.480    1.480  
assign (resid  13 and name   HA)   (resid  16 and name   H2)   3.650    1.850    1.850  
assign (resid  13 and name   HA)   (resid  16 and name   H1)   3.370    1.570    1.570  
assign (resid   4 and name  HB#)   (resid   5 and name  CD2)   4.090    2.290    2.290  
assign (resid   2 and name   HA)   (resid   5 and name  CD2)   3.185    1.385    1.385  
assign (resid   3 and name   HA)   (resid   9 and name  HB1)   3.325    1.525    1.525  
assign (resid   5 and name   HA)   (resid   6 and name  HG1)   3.650    1.850    1.850  
assign (resid  11 and name   HA)   (resid  13 and name  HD1)   3.650    1.850    1.850  
assign (resid  11 and name   HA)   (resid  13 and name  HD2)   3.650    1.850    1.850  
assign (resid   7 and name   HN)   (resid   7 and name  HB#)   2.995    1.195    1.195  
assign (resid  15 and name   HN)   (resid  15 and name HG2#)   4.160    2.360    2.360  
assign (resid  10 and name   HN)   (resid  10 and name  HG*)   3.785    1.985    1.985  
assign (resid  15 and name HG2#)   (resid  16 and name   HN)   3.755    1.955    1.955  
assign (resid   7 and name  HB#)   (resid   8 and name   HN)   3.570    1.770    1.770  
assign (resid   7 and name  HB#)   (resid   8 and name   HA)   4.160    2.360    2.360  
assign (resid   6 and name   HA)   (resid   7 and name  HB#)   4.160    2.360    2.360  
assign (resid  15 and name   HA)   (resid  15 and name HD1#)   4.035    2.235    2.235  
assign (resid  12 and name  HB2)   (resid  15 and name HD1#)   3.620    1.820    1.820  
assign (resid  12 and name  HB1)   (resid  15 and name HD1#)   4.160    2.360    2.360  
assign (resid   7 and name   HA)   (resid  10 and name  HG*)   4.485    2.685    2.685  
assign (resid   3 and name   HA)   (resid   9 and name HD2#)   3.570    1.770    1.770  
assign (resid   5 and name   HA)   (resid   6 and name  HD#)   2.070    0.270    0.270  
assign (resid   6 and name  HD#)   (resid   7 and name   HN)   3.125    1.325    1.325  
assign (resid   6 and name  HD#)   (resid   7 and name  HB#)   4.045    2.245    2.245  
assign (resid   8 and name  HB#)   (resid   9 and name HD2#)   3.575    1.775    1.775  
assign (resid   9 and name   HN)   (resid   9 and name HD2#)   3.570    1.770    1.770  
assign (resid   9 and name   HA)   (resid   9 and name HD2#)   3.190    1.390    1.390  
assign (resid   9 and name  HB2)   (resid   9 and name HD2#)   2.530    0.730    0.730  
assign (resid  12 and name   HA)   (resid  13 and name  HD#)   2.250    0.450    0.450  
assign (resid  12 and name  HB2)   (resid  15 and name HG1#)   3.015    1.215    1.215  
assign (resid  12 and name  HB1)   (resid  15 and name HG1#)   3.015    1.215    1.215  
assign (resid  13 and name  HG#)   (resid  14 and name   HN)   3.415    1.615    1.615  
assign (resid  13 and name  HD#)   (resid  14 and name   HN)   3.235    1.435    1.435  
assign (resid  15 and name   HN)   (resid  15 and name HG1#)   3.570    1.770    1.770  

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H1       GLY   1  -5.519   6.076  -5.269
    2    H2   GLY   1           H2       GLY   1  -6.199   5.123  -4.060
    3    H3   GLY   1           H3       GLY   1  -5.360   4.387  -5.339
    4    HA2  GLY   1           HA2      GLY   1  -3.332   5.487  -4.581
    5    HA3  GLY   1           HA3      GLY   1  -4.255   6.109  -3.216
    6    H    CYS   2           H        CYS   2  -2.133   3.789  -4.081
    7    HA   CYS   2           HA       CYS   2  -3.268   1.487  -3.174
    8    HB2  CYS   2           HB3      CYS   2  -0.650   2.423  -3.785
    9    HB3  CYS   2           HB2      CYS   2  -0.756   0.880  -2.936
   10    H    CYS   3           H        CYS   3  -1.906   3.986  -1.347
   11    HA   CYS   3           HA       CYS   3  -1.358   2.362   0.870
   12    HB2  CYS   3           HB3      CYS   3  -1.623   5.286   0.485
   13    HB3  CYS   3           HB2      CYS   3  -1.587   4.611   2.099
   14    H    SER   4           H        SER   4  -4.115   4.042  -0.148
   15    HA   SER   4           HA       SER   4  -5.682   3.459   2.214
   16    HB2  SER   4           HB3      SER   4  -6.634   4.314  -0.526
   17    HB3  SER   4           HB2      SER   4  -7.561   4.403   0.971
   18    HG   SER   4           HG       SER   4  -6.207   5.977   1.729
   19    H    HIS   5           H        HIS   5  -4.573   1.611  -0.247
   20    HA   HIS   5           HA       HIS   5  -6.781  -0.329  -0.266
   21    HB2  HIS   5           HB3      HIS   5  -4.369   0.138  -1.980
   22    HB3  HIS   5           HB2      HIS   5  -5.185  -1.412  -2.012
   23    HD1  HIS   5           HD1      HIS   5  -6.519  -1.534  -4.080
   24    HD2  HIS   5           HD2      HIS   5  -6.558   2.285  -2.462
   25    HE1  HIS   5           HE1      HIS   5  -7.952  -0.153  -5.626
   26    HA   PRO   6           HA       PRO   6  -4.106  -2.135   3.025
   27    HB2  PRO   6           HB2      PRO   6  -6.161  -4.263   2.570
   28    HB3  PRO   6           HB3      PRO   6  -5.506  -3.650   4.094
   29    HG2  PRO   6           HG3      PRO   6  -7.894  -2.861   3.313
   30    HG3  PRO   6           HG2      PRO   6  -6.754  -1.683   3.988
   31    HD2  PRO   6           HD3      PRO   6  -7.548  -2.127   1.140
   32    HD3  PRO   6           HD2      PRO   6  -7.195  -0.609   1.990
   33    H    ALA   7           H        ALA   7  -5.294  -3.860   0.157
   34    HA   ALA   7           HA       ALA   7  -3.322  -5.915   0.309
   35    HB1  ALA   7           HB1      ALA   7  -5.496  -6.262  -0.783
   36    HB2  ALA   7           HB2      ALA   7  -4.141  -6.645  -1.845
   37    HB3  ALA   7           HB3      ALA   7  -5.020  -5.132  -2.051
   38    H    CYS   8           H        CYS   8  -3.561  -2.903  -1.542
   39    HA   CYS   8           HA       CYS   8  -1.174  -3.519  -3.091
   40    HB2  CYS   8           HB3      CYS   8  -3.212  -2.128  -3.900
   41    HB3  CYS   8           HB2      CYS   8  -2.534  -0.839  -2.908
   42    H    ASN   9           H        ASN   9  -1.987  -1.970  -0.187
   43    HA   ASN   9           HA       ASN   9   0.027  -0.121   0.277
   44    HB2  ASN   9           HB3      ASN   9  -2.043  -0.720   1.658
   45    HB3  ASN   9           HB2      ASN   9  -1.083  -2.061   2.237
   46   HD21  ASN   9          HD22      ASN   9  -1.644   1.284   2.453
   47   HD22  ASN   9          HD21      ASN   9  -0.581   1.621   3.778
   48    H    VAL  10           H        VAL  10  -0.147  -3.519   0.753
   49    HA   VAL  10           HA       VAL  10   2.254  -3.977   2.135
   50    HB   VAL  10           HB       VAL  10   0.780  -5.897   0.358
   51   HG11  VAL  10          HG11      VAL  10   1.793  -7.666   1.755
   52   HG12  VAL  10          HG12      VAL  10   2.712  -6.436   2.620
   53   HG13  VAL  10          HG13      VAL  10   3.013  -6.716   0.905
   54   HG21  VAL  10          HG21      VAL  10  -0.699  -4.987   2.040
   55   HG22  VAL  10          HG22      VAL  10   0.469  -5.371   3.304
   56   HG23  VAL  10          HG23      VAL  10  -0.325  -6.670   2.414
   57    H    ASP  11           H        ASP  11   1.621  -3.720  -1.342
   58    HA   ASP  11           HA       ASP  11   4.320  -4.679  -1.747
   59    HB2  ASP  11           HB3      ASP  11   3.867  -4.992  -4.092
   60    HB3  ASP  11           HB2      ASP  11   2.599  -5.753  -3.149
   61    H    HIS  12           H        HIS  12   3.077  -1.795  -1.130
   62    HA   HIS  12           HA       HIS  12   5.180  -0.491  -2.669
   63    HB2  HIS  12           HB3      HIS  12   2.573   0.453  -1.640
   64    HB3  HIS  12           HB2      HIS  12   3.849   1.579  -2.027
   65    HD1  HIS  12           HD1      HIS  12   4.306   1.920  -4.672
   66    HD2  HIS  12           HD2      HIS  12   1.188  -0.658  -3.700
   67    HE1  HIS  12           HE1      HIS  12   2.988   1.641  -6.760
   68    HA   PRO  13           HA       PRO  13   6.115  -0.322   1.940
   69    HB2  PRO  13           HB2      PRO  13   8.723  -1.082   1.846
   70    HB3  PRO  13           HB3      PRO  13   7.403  -2.250   1.931
   71    HG2  PRO  13           HG3      PRO  13   9.007  -1.366  -0.426
   72    HG3  PRO  13           HG2      PRO  13   8.427  -2.986  -0.013
   73    HD2  PRO  13           HD3      PRO  13   7.217  -1.375  -1.869
   74    HD3  PRO  13           HD2      PRO  13   6.356  -2.612  -0.936
   75    H    GLU  14           H        GLU  14   7.411   0.971  -0.860
   76    HA   GLU  14           HA       GLU  14   9.169   2.894   0.277
   77    HB2  GLU  14           HB3      GLU  14   9.200   3.711  -2.036
   78    HB3  GLU  14           HB2      GLU  14   9.618   2.006  -1.898
   79    HG2  GLU  14           HG3      GLU  14   7.326   1.425  -2.609
   80    HG3  GLU  14           HG2      GLU  14   6.974   3.148  -2.726
   81    H    ILE  15           H        ILE  15   5.782   2.670  -0.414
   82    HA   ILE  15           HA       ILE  15   5.491   5.604  -0.229
   83    HB   ILE  15           HB       ILE  15   3.375   3.642  -1.173
   84   HG12  ILE  15          HG13      ILE  15   5.126   3.554  -2.827
   85   HG13  ILE  15          HG12      ILE  15   3.803   4.503  -3.458
   86   HG21  ILE  15          HG21      ILE  15   3.519   6.648  -1.377
   87   HG22  ILE  15          HG22      ILE  15   2.465   5.716  -0.313
   88   HG23  ILE  15          HG23      ILE  15   2.247   5.636  -2.061
   89   HD11  ILE  15          HD11      ILE  15   4.984   6.562  -2.976
   90   HD12  ILE  15          HD12      ILE  15   5.945   5.507  -4.015
   91   HD13  ILE  15          HD13      ILE  15   6.333   5.643  -2.299
   92    H    CYS  16           H        CYS  16   4.093   2.570   0.725
   93    HA   CYS  16           HA       CYS  16   2.674   3.834   2.910
   94    HB2  CYS  16           2HB      CYS  16   2.585   1.068   1.879
   95    HB3  CYS  16           1HB      CYS  16   1.410   1.798   2.965
   96    HN1  NH2  17           1H       NH2  17   4.229   4.076   4.459
   97    HN2  NH2  17           2H       NH2  17   5.180   2.783   5.108
  Start of MODEL    2
    1    H1   GLY   1           H1       GLY   1  -5.338   6.349  -2.756
    2    H2   GLY   1           H2       GLY   1  -5.648   5.680  -4.274
    3    H3   GLY   1           H3       GLY   1  -4.979   7.249  -4.140
    4    HA2  GLY   1           HA2      GLY   1  -3.304   5.631  -4.750
    5    HA3  GLY   1           HA3      GLY   1  -3.003   6.335  -3.166
    6    H    CYS   2           H        CYS   2  -1.901   3.888  -3.859
    7    HA   CYS   2           HA       CYS   2  -3.464   1.707  -3.198
    8    HB2  CYS   2           HB3      CYS   2  -0.711   2.314  -3.561
    9    HB3  CYS   2           HB2      CYS   2  -1.066   0.787  -2.761
   10    H    CYS   3           H        CYS   3  -2.053   3.998  -1.234
   11    HA   CYS   3           HA       CYS   3  -1.572   2.398   0.997
   12    HB2  CYS   3           HB3      CYS   3  -2.187   5.308   0.736
   13    HB3  CYS   3           HB2      CYS   3  -1.752   4.538   2.235
   14    H    SER   4           H        SER   4  -4.269   4.065  -0.128
   15    HA   SER   4           HA       SER   4  -6.010   3.418   2.082
   16    HB2  SER   4           HB3      SER   4  -6.724   4.373  -0.702
   17    HB3  SER   4           HB2      SER   4  -7.756   4.446   0.731
   18    HG   SER   4           HG       SER   4  -6.250   5.831   1.681
   19    H    HIS   5           H        HIS   5  -4.587   1.408   0.140
   20    HA   HIS   5           HA       HIS   5  -6.824  -0.463  -0.143
   21    HB2  HIS   5           HB3      HIS   5  -4.602   0.215  -1.996
   22    HB3  HIS   5           HB2      HIS   5  -5.447  -1.324  -2.157
   23    HD1  HIS   5           HD1      HIS   5  -7.965  -1.165  -3.076
   24    HD2  HIS   5           HD2      HIS   5  -5.918   2.457  -2.951
   25    HE1  HIS   5           HE1      HIS   5  -9.308   0.435  -4.449
   26    HA   PRO   6           HA       PRO   6  -3.882  -2.185   2.982
   27    HB2  PRO   6           HB2      PRO   6  -5.856  -4.381   2.475
   28    HB3  PRO   6           HB3      PRO   6  -5.134  -3.859   4.003
   29    HG2  PRO   6           HG3      PRO   6  -7.580  -3.067   3.389
   30    HG3  PRO   6           HG2      PRO   6  -6.433  -1.929   4.115
   31    HD2  PRO   6           HD3      PRO   6  -7.408  -2.088   1.304
   32    HD3  PRO   6           HD2      PRO   6  -6.904  -0.673   2.246
   33    H    ALA   7           H        ALA   7  -5.054  -4.161   0.261
   34    HA   ALA   7           HA       ALA   7  -2.911  -6.001   0.337
   35    HB1  ALA   7           HB1      ALA   7  -4.675  -5.317  -2.002
   36    HB2  ALA   7           HB2      ALA   7  -5.033  -6.515  -0.754
   37    HB3  ALA   7           HB3      ALA   7  -3.663  -6.748  -1.840
   38    H    CYS   8           H        CYS   8  -3.333  -2.998  -1.457
   39    HA   CYS   8           HA       CYS   8  -0.989  -3.456  -3.131
   40    HB2  CYS   8           HB3      CYS   8  -3.174  -2.182  -3.759
   41    HB3  CYS   8           HB2      CYS   8  -2.481  -0.890  -2.783
   42    H    ASN   9           H        ASN   9  -1.832  -2.030  -0.215
   43    HA   ASN   9           HA       ASN   9   0.116  -0.040   0.112
   44    HB2  ASN   9           HB3      ASN   9  -2.037  -0.409   1.338
   45    HB3  ASN   9           HB2      ASN   9  -1.259  -1.765   2.091
   46   HD21  ASN   9          HD22      ASN   9  -2.350   0.918   2.898
   47   HD22  ASN   9          HD21      ASN   9  -1.207   1.529   4.033
   48    H    VAL  10           H        VAL  10  -0.135  -3.355   0.933
   49    HA   VAL  10           HA       VAL  10   2.260  -3.690   2.348
   50    HB   VAL  10           HB       VAL  10   0.717  -5.732   0.782
   51   HG11  VAL  10          HG11      VAL  10   1.831  -7.407   2.231
   52   HG12  VAL  10          HG12      VAL  10   2.829  -6.120   2.910
   53   HG13  VAL  10          HG13      VAL  10   2.969  -6.540   1.201
   54   HG21  VAL  10          HG21      VAL  10  -0.618  -4.695   2.520
   55   HG22  VAL  10          HG22      VAL  10   0.638  -5.030   3.712
   56   HG23  VAL  10          HG23      VAL  10  -0.242  -6.360   2.959
   57    H    ASP  11           H        ASP  11   1.604  -4.009  -1.154
   58    HA   ASP  11           HA       ASP  11   4.345  -4.842  -1.457
   59    HB2  ASP  11           HB3      ASP  11   3.912  -5.377  -3.794
   60    HB3  ASP  11           HB2      ASP  11   2.705  -6.114  -2.763
   61    H    HIS  12           H        HIS  12   3.089  -1.933  -1.114
   62    HA   HIS  12           HA       HIS  12   5.262  -0.800  -2.658
   63    HB2  HIS  12           HB3      HIS  12   2.662   0.324  -1.801
   64    HB3  HIS  12           HB2      HIS  12   4.020   1.325  -2.266
   65    HD1  HIS  12           HD1      HIS  12   4.818   0.920  -4.903
   66    HD2  HIS  12           HD2      HIS  12   1.072  -0.482  -3.782
   67    HE1  HIS  12           HE1      HIS  12   3.553   0.603  -7.025
   68    HA   PRO  13           HA       PRO  13   6.113  -0.601   1.914
   69    HB2  PRO  13           HB2      PRO  13   8.912  -0.971   1.141
   70    HB3  PRO  13           HB3      PRO  13   7.933  -1.923   2.260
   71    HG2  PRO  13           HG3      PRO  13   8.678  -2.887  -0.139
   72    HG3  PRO  13           HG2      PRO  13   7.113  -3.291   0.590
   73    HD2  PRO  13           HD3      PRO  13   7.744  -1.300  -1.557
   74    HD3  PRO  13           HD2      PRO  13   6.395  -2.450  -1.451
   75    H    GLU  14           H        GLU  14   7.526   1.080  -0.725
   76    HA   GLU  14           HA       GLU  14   8.740   3.007   1.024
   77    HB2  GLU  14           HB3      GLU  14   9.623   3.951  -0.969
   78    HB3  GLU  14           HB2      GLU  14  10.064   2.255  -0.850
   79    HG2  GLU  14           HG3      GLU  14   7.839   3.343  -2.580
   80    HG3  GLU  14           HG2      GLU  14   9.482   3.118  -3.156
   81    H    ILE  15           H        ILE  15   5.869   2.528  -0.705
   82    HA   ILE  15           HA       ILE  15   5.369   5.418  -0.829
   83    HB   ILE  15           HB       ILE  15   3.648   3.194  -1.975
   84   HG12  ILE  15          HG13      ILE  15   5.802   4.869  -3.306
   85   HG13  ILE  15          HG12      ILE  15   5.780   3.126  -3.078
   86   HG21  ILE  15          HG21      ILE  15   2.446   5.249  -1.557
   87   HG22  ILE  15          HG22      ILE  15   2.633   4.984  -3.294
   88   HG23  ILE  15          HG23      ILE  15   3.658   6.154  -2.461
   89   HD11  ILE  15          HD11      ILE  15   3.921   2.917  -4.622
   90   HD12  ILE  15          HD12      ILE  15   5.286   3.736  -5.382
   91   HD13  ILE  15          HD13      ILE  15   3.890   4.668  -4.840
   92    H    CYS  16           H        CYS  16   4.176   2.431   0.444
   93    HA   CYS  16           HA       CYS  16   2.462   3.906   2.253
   94    HB2  CYS  16           2HB      CYS  16   2.048   1.295   0.951
   95    HB3  CYS  16           1HB      CYS  16   0.932   2.021   2.100
   96    HN1  NH2  17           1H       NH2  17   3.427   0.492   1.936
   97    HN2  NH2  17           2H       NH2  17   4.128   0.386   3.508
  Start of MODEL    3
    1    H1   GLY   1           H1       GLY   1  -4.454   7.129  -4.798
    2    H2   GLY   1           H2       GLY   1  -4.310   6.569  -3.210
    3    H3   GLY   1           H3       GLY   1  -5.489   5.935  -4.196
    4    HA2  GLY   1           HA2      GLY   1  -3.770   4.984  -5.639
    5    HA3  GLY   1           HA3      GLY   1  -2.579   5.607  -4.503
    6    H    CYS   2           H        CYS   2  -2.205   3.090  -4.672
    7    HA   CYS   2           HA       CYS   2  -3.943   1.305  -3.563
    8    HB2  CYS   2           HB3      CYS   2  -1.187   1.437  -4.216
    9    HB3  CYS   2           HB2      CYS   2  -1.655   0.089  -3.187
   10    H    CYS   3           H        CYS   3  -1.957   3.479  -1.912
   11    HA   CYS   3           HA       CYS   3  -1.647   1.908   0.356
   12    HB2  CYS   3           HB3      CYS   3  -1.270   4.740  -0.238
   13    HB3  CYS   3           HB2      CYS   3  -1.456   4.276   1.448
   14    H    SER   4           H        SER   4  -4.229   3.820  -0.589
   15    HA   SER   4           HA       SER   4  -5.584   3.518   1.946
   16    HB2  SER   4           HB3      SER   4  -6.679   4.385  -0.730
   17    HB3  SER   4           HB2      SER   4  -7.554   4.479   0.803
   18    HG   SER   4           HG       SER   4  -6.108   5.905   1.561
   19    H    HIS   5           H        HIS   5  -4.758   1.306  -0.203
   20    HA   HIS   5           HA       HIS   5  -7.159  -0.333   0.129
   21    HB2  HIS   5           HB3      HIS   5  -5.037  -0.304  -2.009
   22    HB3  HIS   5           HB2      HIS   5  -6.249  -1.575  -1.888
   23    HD1  HIS   5           HD1      HIS   5  -8.605  -1.000  -2.767
   24    HD2  HIS   5           HD2      HIS   5  -5.946   2.180  -2.928
   25    HE1  HIS   5           HE1      HIS   5  -9.712   0.736  -4.198
   26    HA   PRO   6           HA       PRO   6  -4.247  -2.081   3.193
   27    HB2  PRO   6           HB2      PRO   6  -6.344  -4.202   2.939
   28    HB3  PRO   6           HB3      PRO   6  -5.571  -3.558   4.394
   29    HG2  PRO   6           HG3      PRO   6  -7.999  -2.740   3.738
   30    HG3  PRO   6           HG2      PRO   6  -6.797  -1.579   4.331
   31    HD2  PRO   6           HD3      PRO   6  -7.817  -2.009   1.568
   32    HD3  PRO   6           HD2      PRO   6  -7.289  -0.512   2.361
   33    H    ALA   7           H        ALA   7  -5.640  -4.072   0.603
   34    HA   ALA   7           HA       ALA   7  -3.603  -6.045   0.792
   35    HB1  ALA   7           HB1      ALA   7  -4.626  -7.070  -1.135
   36    HB2  ALA   7           HB2      ALA   7  -5.556  -5.607  -1.448
   37    HB3  ALA   7           HB3      ALA   7  -5.871  -6.556   0.005
   38    H    CYS   8           H        CYS   8  -3.883  -3.100  -1.010
   39    HA   CYS   8           HA       CYS   8  -1.642  -3.891  -2.767
   40    HB2  CYS   8           HB3      CYS   8  -3.905  -2.863  -3.601
   41    HB3  CYS   8           HB2      CYS   8  -3.245  -1.370  -2.942
   42    H    ASN   9           H        ASN   9  -2.055  -2.705   0.113
   43    HA   ASN   9           HA       ASN   9  -0.609  -0.229   0.168
   44    HB2  ASN   9           HB3      ASN   9  -2.381  -0.981   1.766
   45    HB3  ASN   9           HB2      ASN   9  -1.213  -2.145   2.345
   46   HD21  ASN   9          HD22      ASN   9  -2.023   1.180   2.220
   47   HD22  ASN   9          HD21      ASN   9  -0.932   1.704   3.451
   48    H    VAL  10           H        VAL  10  -0.056  -3.506   1.025
   49    HA   VAL  10           HA       VAL  10   2.480  -3.231   2.185
   50    HB   VAL  10           HB       VAL  10   0.994  -5.143   2.595
   51   HG11  VAL  10          HG11      VAL  10   0.874  -7.026   1.032
   52   HG12  VAL  10          HG12      VAL  10   1.729  -6.057  -0.170
   53   HG13  VAL  10          HG13      VAL  10   0.136  -5.556   0.394
   54   HG21  VAL  10          HG21      VAL  10   2.712  -6.918   2.623
   55   HG22  VAL  10          HG22      VAL  10   3.331  -5.368   3.195
   56   HG23  VAL  10          HG23      VAL  10   3.717  -5.924   1.569
   57    H    ASP  11           H        ASP  11   1.617  -3.434  -1.191
   58    HA   ASP  11           HA       ASP  11   4.351  -4.116  -1.830
   59    HB2  ASP  11           HB3      ASP  11   3.657  -4.331  -4.190
   60    HB3  ASP  11           HB2      ASP  11   2.752  -5.371  -3.110
   61    H    HIS  12           H        HIS  12   3.225  -1.333  -0.911
   62    HA   HIS  12           HA       HIS  12   4.877   0.131  -2.809
   63    HB2  HIS  12           HB3      HIS  12   2.741   0.925  -0.910
   64    HB3  HIS  12           HB2      HIS  12   3.933   2.091  -1.438
   65    HD1  HIS  12           HD1      HIS  12   3.529   3.157  -3.734
   66    HD2  HIS  12           HD2      HIS  12   1.012  -0.048  -2.938
   67    HE1  HIS  12           HE1      HIS  12   1.809   3.170  -5.554
   68    HA   PRO  13           HA       PRO  13   7.368  -0.701   0.968
   69    HB2  PRO  13           HB2      PRO  13   9.714  -0.485  -0.740
   70    HB3  PRO  13           HB3      PRO  13   9.150  -1.869   0.195
   71    HG2  PRO  13           HG3      PRO  13   9.065  -1.795  -2.517
   72    HG3  PRO  13           HG2      PRO  13   7.898  -2.699  -1.542
   73    HD2  PRO  13           HD3      PRO  13   7.605  -0.032  -2.864
   74    HD3  PRO  13           HD2      PRO  13   6.433  -1.364  -2.731
   75    H    GLU  14           H        GLU  14   7.761   1.812  -1.341
   76    HA   GLU  14           HA       GLU  14   9.431   3.291   0.459
   77    HB2  GLU  14           HB3      GLU  14   9.679   4.820  -1.339
   78    HB3  GLU  14           HB2      GLU  14  10.135   3.205  -1.857
   79    HG2  GLU  14           HG3      GLU  14   7.523   4.587  -2.492
   80    HG3  GLU  14           HG2      GLU  14   8.913   4.573  -3.561
   81    H    ILE  15           H        ILE  15   6.240   2.813   0.218
   82    HA   ILE  15           HA       ILE  15   5.646   5.599   0.998
   83    HB   ILE  15           HB       ILE  15   3.623   3.745  -0.301
   84   HG12  ILE  15          HG13      ILE  15   5.374   4.344  -1.956
   85   HG13  ILE  15          HG12      ILE  15   3.814   5.046  -2.356
   86   HG21  ILE  15          HG21      ILE  15   3.541   6.700   0.284
   87   HG22  ILE  15          HG22      ILE  15   2.660   5.437   1.144
   88   HG23  ILE  15          HG23      ILE  15   2.279   5.786  -0.543
   89   HD11  ILE  15          HD11      ILE  15   6.135   6.480  -1.087
   90   HD12  ILE  15          HD12      ILE  15   4.572   7.199  -1.483
   91   HD13  ILE  15          HD13      ILE  15   5.624   6.605  -2.774
   92    H    CYS  16           H        CYS  16   4.267   2.385   1.140
   93    HA   CYS  16           HA       CYS  16   3.580   2.872   3.923
   94    HB2  CYS  16           2HB      CYS  16   2.142   1.423   1.799
   95    HB3  CYS  16           1HB      CYS  16   1.633   1.384   3.486
   96    HN1  NH2  17           1H       NH2  17   3.163  -0.154   2.145
   97    HN2  NH2  17           2H       NH2  17   4.366  -1.029   3.010
  Start of MODEL    4
    1    H1   GLY   1           H1       GLY   1  -5.336   5.907  -2.188
    2    H2   GLY   1           H2       GLY   1  -6.429   5.017  -3.096
    3    H3   GLY   1           H3       GLY   1  -5.985   6.568  -3.605
    4    HA2  GLY   1           HA2      GLY   1  -4.850   4.889  -4.909
    5    HA3  GLY   1           HA3      GLY   1  -3.693   5.746  -3.893
    6    H    CYS   2           H        CYS   2  -2.493   3.638  -4.393
    7    HA   CYS   2           HA       CYS   2  -3.420   1.248  -3.423
    8    HB2  CYS   2           HB3      CYS   2  -0.981   2.324  -4.392
    9    HB3  CYS   2           HB2      CYS   2  -0.790   0.838  -3.466
   10    H    CYS   3           H        CYS   3  -1.960   3.794  -1.741
   11    HA   CYS   3           HA       CYS   3  -1.034   2.217   0.396
   12    HB2  CYS   3           HB3      CYS   3  -1.757   5.109   0.259
   13    HB3  CYS   3           HB2      CYS   3  -1.021   4.336   1.631
   14    H    SER   4           H        SER   4  -3.878   3.961  -0.221
   15    HA   SER   4           HA       SER   4  -5.143   3.504   2.308
   16    HB2  SER   4           HB3      SER   4  -6.405   4.238  -0.322
   17    HB3  SER   4           HB2      SER   4  -7.048   4.575   1.294
   18    HG   SER   4           HG       SER   4  -4.971   5.748   1.584
   19    H    HIS   5           H        HIS   5  -4.632   1.691  -0.445
   20    HA   HIS   5           HA       HIS   5  -6.741  -0.263   0.004
   21    HB2  HIS   5           HB3      HIS   5  -4.697   0.299  -2.055
   22    HB3  HIS   5           HB2      HIS   5  -5.391  -1.313  -1.989
   23    HD1  HIS   5           HD1      HIS   5  -7.376  -1.580  -3.523
   24    HD2  HIS   5           HD2      HIS   5  -6.911   2.346  -2.251
   25    HE1  HIS   5           HE1      HIS   5  -9.174  -0.278  -4.660
   26    HA   PRO   6           HA       PRO   6  -3.668  -1.965   2.895
   27    HB2  PRO   6           HB2      PRO   6  -5.680  -4.169   2.828
   28    HB3  PRO   6           HB3      PRO   6  -4.887  -3.415   4.219
   29    HG2  PRO   6           HG3      PRO   6  -7.386  -2.784   3.644
   30    HG3  PRO   6           HG2      PRO   6  -6.237  -1.524   4.128
   31    HD2  PRO   6           HD3      PRO   6  -7.279  -2.189   1.408
   32    HD3  PRO   6           HD2      PRO   6  -6.936  -0.602   2.132
   33    H    ALA   7           H        ALA   7  -5.122  -3.835   0.255
   34    HA   ALA   7           HA       ALA   7  -3.157  -5.887   0.362
   35    HB1  ALA   7           HB1      ALA   7  -4.979  -5.239  -1.946
   36    HB2  ALA   7           HB2      ALA   7  -5.426  -6.230  -0.559
   37    HB3  ALA   7           HB3      ALA   7  -4.143  -6.764  -1.642
   38    H    CYS   8           H        CYS   8  -3.495  -2.968  -1.565
   39    HA   CYS   8           HA       CYS   8  -1.216  -3.676  -3.213
   40    HB2  CYS   8           HB3      CYS   8  -3.278  -2.364  -4.008
   41    HB3  CYS   8           HB2      CYS   8  -2.618  -1.004  -3.104
   42    H    ASN   9           H        ASN   9  -1.862  -1.994  -0.294
   43    HA   ASN   9           HA       ASN   9   0.387  -0.291  -0.259
   44    HB2  ASN   9           HB3      ASN   9  -1.691  -0.242   1.240
   45    HB3  ASN   9           HB2      ASN   9  -0.910  -1.534   2.081
   46   HD21  ASN   9          HD22      ASN   9   1.187   0.915   0.807
   47   HD22  ASN   9          HD21      ASN   9   1.632   1.561   2.348
   48    H    VAL  10           H        VAL  10  -0.248  -3.481   0.695
   49    HA   VAL  10           HA       VAL  10   2.073  -4.234   2.039
   50    HB   VAL  10           HB       VAL  10   0.539  -5.913   0.066
   51   HG11  VAL  10          HG11      VAL  10   1.485  -7.881   1.239
   52   HG12  VAL  10          HG12      VAL  10   2.473  -6.800   2.220
   53   HG13  VAL  10          HG13      VAL  10   2.742  -6.904   0.481
   54   HG21  VAL  10          HG21      VAL  10   0.318  -5.716   3.061
   55   HG22  VAL  10          HG22      VAL  10  -0.561  -6.862   2.051
   56   HG23  VAL  10          HG23      VAL  10  -0.854  -5.131   1.879
   57    H    ASP  11           H        ASP  11   1.580  -3.964  -1.450
   58    HA   ASP  11           HA       ASP  11   4.380  -4.638  -1.836
   59    HB2  ASP  11           HB3      ASP  11   3.933  -4.744  -4.241
   60    HB3  ASP  11           HB2      ASP  11   2.821  -5.775  -3.352
   61    H    HIS  12           H        HIS  12   2.791  -1.968  -1.090
   62    HA   HIS  12           HA       HIS  12   4.739  -0.250  -2.485
   63    HB2  HIS  12           HB3      HIS  12   1.962   0.097  -1.550
   64    HB3  HIS  12           HB2      HIS  12   2.990   1.499  -1.643
   65    HD1  HIS  12           HD1      HIS  12   2.210  -1.356  -4.203
   66    HD2  HIS  12           HD2      HIS  12   2.236   2.791  -3.845
   67    HE1  HIS  12           HE1      HIS  12   1.615  -0.463  -6.442
   68    HA   PRO  13           HA       PRO  13   5.364  -0.152   2.204
   69    HB2  PRO  13           HB2      PRO  13   8.014  -1.244   1.998
   70    HB3  PRO  13           HB3      PRO  13   6.591  -1.997   2.718
   71    HG2  PRO  13           HG3      PRO  13   7.808  -2.923   0.434
   72    HG3  PRO  13           HG2      PRO  13   6.103  -3.187   0.827
   73    HD2  PRO  13           HD3      PRO  13   7.333  -1.143  -0.990
   74    HD3  PRO  13           HD2      PRO  13   5.878  -2.136  -1.234
   75    H    GLU  14           H        GLU  14   7.302   0.659  -0.420
   76    HA   GLU  14           HA       GLU  14   9.013   2.512   0.899
   77    HB2  GLU  14           HB3      GLU  14   9.687   2.961  -1.439
   78    HB3  GLU  14           HB2      GLU  14   9.895   1.284  -0.950
   79    HG2  GLU  14           HG3      GLU  14   7.834   0.709  -2.159
   80    HG3  GLU  14           HG2      GLU  14   7.630   2.400  -2.605
   81    H    ILE  15           H        ILE  15   5.839   2.477  -0.229
   82    HA   ILE  15           HA       ILE  15   5.912   5.304  -0.962
   83    HB   ILE  15           HB       ILE  15   3.583   3.383  -1.198
   84   HG12  ILE  15          HG13      ILE  15   5.426   2.607  -2.613
   85   HG13  ILE  15          HG12      ILE  15   4.127   3.243  -3.604
   86   HG21  ILE  15          HG21      ILE  15   2.666   5.060  -2.744
   87   HG22  ILE  15          HG22      ILE  15   4.060   6.096  -2.440
   88   HG23  ILE  15          HG23      ILE  15   2.930   5.733  -1.134
   89   HD11  ILE  15          HD11      ILE  15   5.371   5.311  -3.902
   90   HD12  ILE  15          HD12      ILE  15   6.274   3.900  -4.462
   91   HD13  ILE  15          HD13      ILE  15   6.685   4.652  -2.918
   92    H    CYS  16           H        CYS  16   4.079   3.065   1.011
   93    HA   CYS  16           HA       CYS  16   3.858   5.109   3.054
   94    HB2  CYS  16           2HB      CYS  16   1.719   3.382   1.999
   95    HB3  CYS  16           1HB      CYS  16   1.554   4.442   3.389
   96    HN1  NH2  17           1H       NH2  17   5.397   3.924   4.208
   97    HN2  NH2  17           2H       NH2  17   5.082   2.355   4.860
  Start of MODEL    5
    1    H1   GLY   1           H1       GLY   1  -5.519   5.334  -4.621
    2    H2   GLY   1           H2       GLY   1  -5.027   6.936  -4.648
    3    H3   GLY   1           H3       GLY   1  -5.443   6.174  -3.167
    4    HA2  GLY   1           HA2      GLY   1  -3.158   5.465  -4.877
    5    HA3  GLY   1           HA3      GLY   1  -3.078   6.341  -3.348
    6    H    CYS   2           H        CYS   2  -1.909   3.739  -4.087
    7    HA   CYS   2           HA       CYS   2  -3.393   1.633  -3.207
    8    HB2  CYS   2           HB3      CYS   2  -0.656   2.195  -3.739
    9    HB3  CYS   2           HB2      CYS   2  -0.990   0.682  -2.897
   10    H    CYS   3           H        CYS   3  -1.798   3.920  -1.331
   11    HA   CYS   3           HA       CYS   3  -1.362   2.380   0.933
   12    HB2  CYS   3           HB3      CYS   3  -1.915   5.278   0.571
   13    HB3  CYS   3           HB2      CYS   3  -1.614   4.572   2.145
   14    H    SER   4           H        SER   4  -4.120   4.038  -0.127
   15    HA   SER   4           HA       SER   4  -5.743   3.411   2.167
   16    HB2  SER   4           HB3      SER   4  -6.571   4.355  -0.575
   17    HB3  SER   4           HB2      SER   4  -7.530   4.461   0.907
   18    HG   SER   4           HG       SER   4  -6.003   5.827   1.769
   19    H    HIS   5           H        HIS   5  -4.544   1.528  -0.177
   20    HA   HIS   5           HA       HIS   5  -6.830  -0.302  -0.409
   21    HB2  HIS   5           HB3      HIS   5  -4.334   0.158  -1.991
   22    HB3  HIS   5           HB2      HIS   5  -5.302  -1.289  -2.243
   23    HD1  HIS   5           HD1      HIS   5  -6.768  -1.022  -4.256
   24    HD2  HIS   5           HD2      HIS   5  -6.054   2.598  -2.371
   25    HE1  HIS   5           HE1      HIS   5  -7.989   0.709  -5.611
   26    HA   PRO   6           HA       PRO   6  -4.208  -2.276   2.805
   27    HB2  PRO   6           HB2      PRO   6  -6.279  -4.379   2.373
   28    HB3  PRO   6           HB3      PRO   6  -5.647  -3.721   3.890
   29    HG2  PRO   6           HG3      PRO   6  -8.027  -2.960   3.074
   30    HG3  PRO   6           HG2      PRO   6  -6.892  -1.755   3.705
   31    HD2  PRO   6           HD3      PRO   6  -7.604  -2.353   0.856
   32    HD3  PRO   6           HD2      PRO   6  -7.379  -0.780   1.654
   33    H    ALA   7           H        ALA   7  -5.536  -3.982  -0.006
   34    HA   ALA   7           HA       ALA   7  -3.568  -6.037   0.086
   35    HB1  ALA   7           HB1      ALA   7  -5.811  -6.400  -0.866
   36    HB2  ALA   7           HB2      ALA   7  -4.518  -6.814  -1.992
   37    HB3  ALA   7           HB3      ALA   7  -5.400  -5.307  -2.188
   38    H    CYS   8           H        CYS   8  -3.643  -2.891  -1.319
   39    HA   CYS   8           HA       CYS   8  -1.305  -3.557  -3.008
   40    HB2  CYS   8           HB3      CYS   8  -3.394  -2.358  -3.988
   41    HB3  CYS   8           HB2      CYS   8  -2.867  -0.976  -3.035
   42    H    ASN   9           H        ASN   9  -1.764  -2.818  -0.008
   43    HA   ASN   9           HA       ASN   9  -0.178  -0.402   0.238
   44    HB2  ASN   9           HB3      ASN   9  -2.139  -0.996   1.732
   45    HB3  ASN   9           HB2      ASN   9  -1.089  -2.241   2.385
   46   HD21  ASN   9          HD22      ASN   9  -1.726   1.110   2.273
   47   HD22  ASN   9          HD21      ASN   9  -0.655   1.601   3.533
   48    H    VAL  10           H        VAL  10  -0.005  -3.716   1.198
   49    HA   VAL  10           HA       VAL  10   2.453  -3.600   2.503
   50    HB   VAL  10           HB       VAL  10   0.924  -5.431   2.890
   51   HG11  VAL  10          HG11      VAL  10   1.608  -6.391   0.127
   52   HG12  VAL  10          HG12      VAL  10   0.046  -5.779   0.672
   53   HG13  VAL  10          HG13      VAL  10   0.677  -7.294   1.321
   54   HG21  VAL  10          HG21      VAL  10   3.241  -5.804   3.467
   55   HG22  VAL  10          HG22      VAL  10   3.573  -6.399   1.840
   56   HG23  VAL  10          HG23      VAL  10   2.503  -7.306   2.909
   57    H    ASP  11           H        ASP  11   1.870  -4.201  -0.937
   58    HA   ASP  11           HA       ASP  11   4.673  -4.744  -1.232
   59    HB2  ASP  11           HB3      ASP  11   4.181  -5.158  -3.639
   60    HB3  ASP  11           HB2      ASP  11   3.280  -6.179  -2.532
   61    H    HIS  12           H        HIS  12   3.245  -1.951  -0.777
   62    HA   HIS  12           HA       HIS  12   5.118  -0.620  -2.554
   63    HB2  HIS  12           HB3      HIS  12   2.478   0.144  -1.512
   64    HB3  HIS  12           HB2      HIS  12   3.641   1.412  -1.836
   65    HD1  HIS  12           HD1      HIS  12   4.202   1.795  -4.475
   66    HD2  HIS  12           HD2      HIS  12   1.244  -1.021  -3.622
   67    HE1  HIS  12           HE1      HIS  12   3.004   1.396  -6.612
   68    HA   PRO  13           HA       PRO  13   6.616  -0.082   1.874
   69    HB2  PRO  13           HB2      PRO  13   9.279  -0.409   0.639
   70    HB3  PRO  13           HB3      PRO  13   8.583  -1.282   2.007
   71    HG2  PRO  13           HG3      PRO  13   8.960  -2.479  -0.362
   72    HG3  PRO  13           HG2      PRO  13   7.563  -2.860   0.658
   73    HD2  PRO  13           HD3      PRO  13   7.719  -1.085  -1.753
   74    HD3  PRO  13           HD2      PRO  13   6.480  -2.285  -1.322
   75    H    GLU  14           H        GLU  14   7.519   1.022  -1.164
   76    HA   GLU  14           HA       GLU  14   9.014   3.303  -0.692
   77    HB2  GLU  14           HB3      GLU  14   8.031   3.922  -2.953
   78    HB3  GLU  14           HB2      GLU  14   9.034   2.476  -2.866
   79    HG2  GLU  14           HG3      GLU  14   7.091   1.078  -2.931
   80    HG3  GLU  14           HG2      GLU  14   6.019   2.453  -2.750
   81    H    ILE  15           H        ILE  15   5.532   2.787  -0.638
   82    HA   ILE  15           HA       ILE  15   5.239   5.684  -0.243
   83    HB   ILE  15           HB       ILE  15   2.908   3.869  -0.939
   84   HG12  ILE  15          HG13      ILE  15   4.600   5.470  -2.885
   85   HG13  ILE  15          HG12      ILE  15   4.602   3.716  -2.752
   86   HG21  ILE  15          HG21      ILE  15   2.396   6.072   0.010
   87   HG22  ILE  15          HG22      ILE  15   1.914   6.002  -1.686
   88   HG23  ILE  15          HG23      ILE  15   3.392   6.844  -1.224
   89   HD11  ILE  15          HD11      ILE  15   2.250   5.412  -3.556
   90   HD12  ILE  15          HD12      ILE  15   2.260   3.654  -3.430
   91   HD13  ILE  15          HD13      ILE  15   3.260   4.454  -4.640
   92    H    CYS  16           H        CYS  16   4.019   2.579   0.859
   93    HA   CYS  16           HA       CYS  16   3.797   3.637   3.521
   94    HB2  CYS  16           2HB      CYS  16   1.658   2.400   1.926
   95    HB3  CYS  16           1HB      CYS  16   1.568   2.486   3.679
   96    HN1  NH2  17           1H       NH2  17   2.360   0.627   2.377
   97    HN2  NH2  17           2H       NH2  17   3.533  -0.415   3.068
  Start of MODEL    6
    1    H1   GLY   1           H1       GLY   1  -4.485   6.439  -3.051
    2    H2   GLY   1           H2       GLY   1  -5.308   5.737  -4.338
    3    H3   GLY   1           H3       GLY   1  -4.383   7.132  -4.595
    4    HA2  GLY   1           HA2      GLY   1  -3.214   5.164  -5.374
    5    HA3  GLY   1           HA3      GLY   1  -2.383   5.855  -3.977
    6    H    CYS   2           H        CYS   2  -1.801   3.288  -4.408
    7    HA   CYS   2           HA       CYS   2  -3.620   1.437  -3.465
    8    HB2  CYS   2           HB3      CYS   2  -0.873   1.523  -4.153
    9    HB3  CYS   2           HB2      CYS   2  -1.345   0.150  -3.163
   10    H    CYS   3           H        CYS   3  -1.552   3.467  -1.730
   11    HA   CYS   3           HA       CYS   3  -1.458   1.768   0.486
   12    HB2  CYS   3           HB3      CYS   3  -0.708   4.535   0.007
   13    HB3  CYS   3           HB2      CYS   3  -1.133   4.106   1.662
   14    H    SER   4           H        SER   4  -3.788   3.902  -0.552
   15    HA   SER   4           HA       SER   4  -5.387   3.851   1.831
   16    HB2  SER   4           HB3      SER   4  -6.287   4.325  -1.011
   17    HB3  SER   4           HB2      SER   4  -7.103   4.859   0.463
   18    HG   SER   4           HG       SER   4  -5.434   6.244   0.877
   19    H    HIS   5           H        HIS   5  -4.486   1.383  -0.141
   20    HA   HIS   5           HA       HIS   5  -6.991  -0.115   0.117
   21    HB2  HIS   5           HB3      HIS   5  -4.877  -0.214  -2.039
   22    HB3  HIS   5           HB2      HIS   5  -6.232  -1.337  -1.935
   23    HD1  HIS   5           HD1      HIS   5  -8.494  -0.516  -2.867
   24    HD2  HIS   5           HD2      HIS   5  -5.545   2.399  -2.846
   25    HE1  HIS   5           HE1      HIS   5  -9.385   1.392  -4.254
   26    HA   PRO   6           HA       PRO   6  -4.387  -2.136   3.205
   27    HB2  PRO   6           HB2      PRO   6  -6.399  -4.281   2.688
   28    HB3  PRO   6           HB3      PRO   6  -5.780  -3.669   4.228
   29    HG2  PRO   6           HG3      PRO   6  -8.155  -2.887   3.374
   30    HG3  PRO   6           HG2      PRO   6  -7.047  -1.716   4.110
   31    HD2  PRO   6           HD3      PRO   6  -7.774  -2.093   1.244
   32    HD3  PRO   6           HD2      PRO   6  -7.394  -0.601   2.130
   33    H    ALA   7           H        ALA   7  -5.486  -4.261   0.547
   34    HA   ALA   7           HA       ALA   7  -3.242  -5.988   0.919
   35    HB1  ALA   7           HB1      ALA   7  -5.117  -5.988  -1.437
   36    HB2  ALA   7           HB2      ALA   7  -5.408  -6.831   0.083
   37    HB3  ALA   7           HB3      ALA   7  -4.044  -7.291  -0.934
   38    H    CYS   8           H        CYS   8  -3.862  -3.319  -1.240
   39    HA   CYS   8           HA       CYS   8  -1.589  -3.942  -2.946
   40    HB2  CYS   8           HB3      CYS   8  -3.804  -2.704  -3.621
   41    HB3  CYS   8           HB2      CYS   8  -3.021  -1.309  -2.881
   42    H    ASN   9           H        ASN   9  -2.233  -2.254  -0.114
   43    HA   ASN   9           HA       ASN   9  -0.272  -0.272   0.089
   44    HB2  ASN   9           HB3      ASN   9  -2.186  -0.896   1.661
   45    HB3  ASN   9           HB2      ASN   9  -1.107  -2.151   2.229
   46   HD21  ASN   9          HD22      ASN   9  -1.873   1.129   2.354
   47   HD22  ASN   9          HD21      ASN   9  -0.680   1.620   3.498
   48    H    VAL  10           H        VAL  10  -0.260  -3.648   0.664
   49    HA   VAL  10           HA       VAL  10   2.130  -4.045   2.016
   50    HB   VAL  10           HB       VAL  10   0.708  -5.938   0.176
   51   HG11  VAL  10          HG11      VAL  10   1.816  -7.744   1.457
   52   HG12  VAL  10          HG12      VAL  10   2.748  -6.526   2.331
   53   HG13  VAL  10          HG13      VAL  10   2.979  -6.735   0.597
   54   HG21  VAL  10          HG21      VAL  10  -0.729  -5.154   1.937
   55   HG22  VAL  10          HG22      VAL  10   0.505  -5.522   3.146
   56   HG23  VAL  10          HG23      VAL  10  -0.268  -6.828   2.254
   57    H    ASP  11           H        ASP  11   1.644  -3.771  -1.497
   58    HA   ASP  11           HA       ASP  11   4.409  -4.576  -1.743
   59    HB2  ASP  11           HB3      ASP  11   4.120  -4.844  -4.128
   60    HB3  ASP  11           HB2      ASP  11   2.881  -5.736  -3.264
   61    H    HIS  12           H        HIS  12   3.029  -1.736  -1.174
   62    HA   HIS  12           HA       HIS  12   5.049  -0.388  -2.742
   63    HB2  HIS  12           HB3      HIS  12   2.414   0.555  -1.763
   64    HB3  HIS  12           HB2      HIS  12   3.667   1.636  -2.290
   65    HD1  HIS  12           HD1      HIS  12   4.280   1.507  -4.959
   66    HD2  HIS  12           HD2      HIS  12   0.929  -0.646  -3.721
   67    HE1  HIS  12           HE1      HIS  12   2.978   0.999  -7.040
   68    HA   PRO  13           HA       PRO  13   6.291   0.167   1.722
   69    HB2  PRO  13           HB2      PRO  13   9.000  -0.352   0.706
   70    HB3  PRO  13           HB3      PRO  13   8.146  -1.143   2.033
   71    HG2  PRO  13           HG3      PRO  13   8.631  -2.418  -0.273
   72    HG3  PRO  13           HG2      PRO  13   7.136  -2.687   0.643
   73    HD2  PRO  13           HD3      PRO  13   7.580  -0.975  -1.781
   74    HD3  PRO  13           HD2      PRO  13   6.254  -2.100  -1.429
   75    H    GLU  14           H        GLU  14   7.019   1.443  -1.289
   76    HA   GLU  14           HA       GLU  14   8.806   3.500  -0.738
   77    HB2  GLU  14           HB3      GLU  14   7.961   4.427  -2.818
   78    HB3  GLU  14           HB2      GLU  14   8.283   2.715  -2.988
   79    HG2  GLU  14           HG3      GLU  14   5.842   2.303  -2.669
   80    HG3  GLU  14           HG2      GLU  14   5.625   4.054  -2.663
   81    H    ILE  15           H        ILE  15   5.376   3.139  -0.249
   82    HA   ILE  15           HA       ILE  15   5.223   5.913   0.724
   83    HB   ILE  15           HB       ILE  15   2.896   4.042   0.236
   84   HG12  ILE  15          HG13      ILE  15   3.891   4.420  -1.934
   85   HG13  ILE  15          HG12      ILE  15   2.412   5.343  -1.794
   86   HG21  ILE  15          HG21      ILE  15   1.548   6.096   0.303
   87   HG22  ILE  15          HG22      ILE  15   3.012   7.021   0.644
   88   HG23  ILE  15          HG23      ILE  15   2.437   5.824   1.805
   89   HD11  ILE  15          HD11      ILE  15   3.687   7.375  -1.375
   90   HD12  ILE  15          HD12      ILE  15   4.137   6.617  -2.906
   91   HD13  ILE  15          HD13      ILE  15   5.188   6.446  -1.499
   92    H    CYS  16           H        CYS  16   3.998   2.721   1.329
   93    HA   CYS  16           HA       CYS  16   3.916   3.267   4.186
   94    HB2  CYS  16           2HB      CYS  16   2.584   1.238   2.507
   95    HB3  CYS  16           1HB      CYS  16   2.286   1.461   4.232
   96    HN1  NH2  17           1H       NH2  17   6.001   2.736   4.726
   97    HN2  NH2  17           2H       NH2  17   6.698   1.172   4.509
  Start of MODEL    7
    1    H1   GLY   1           H1       GLY   1  -4.996   5.828  -2.352
    2    H2   GLY   1           H2       GLY   1  -6.159   5.217  -3.406
    3    H3   GLY   1           H3       GLY   1  -5.457   6.720  -3.705
    4    HA2  GLY   1           HA2      GLY   1  -4.557   4.950  -5.133
    5    HA3  GLY   1           HA3      GLY   1  -3.323   5.638  -4.075
    6    H    CYS   2           H        CYS   2  -2.246   3.482  -4.425
    7    HA   CYS   2           HA       CYS   2  -3.503   1.191  -3.570
    8    HB2  CYS   2           HB3      CYS   2  -0.912   1.980  -4.396
    9    HB3  CYS   2           HB2      CYS   2  -0.929   0.514  -3.415
   10    H    CYS   3           H        CYS   3  -1.859   3.562  -1.812
   11    HA   CYS   3           HA       CYS   3  -1.460   1.853   0.396
   12    HB2  CYS   3           HB3      CYS   3  -1.147   4.731  -0.078
   13    HB3  CYS   3           HB2      CYS   3  -1.333   4.188   1.581
   14    H    SER   4           H        SER   4  -3.957   3.889  -0.608
   15    HA   SER   4           HA       SER   4  -5.540   3.804   1.773
   16    HB2  SER   4           HB3      SER   4  -6.549   4.088  -1.071
   17    HB3  SER   4           HB2      SER   4  -7.314   4.690   0.404
   18    HG   SER   4           HG       SER   4  -5.543   6.092   0.673
   19    H    HIS   5           H        HIS   5  -4.829   1.582  -0.680
   20    HA   HIS   5           HA       HIS   5  -7.026  -0.248  -0.094
   21    HB2  HIS   5           HB3      HIS   5  -4.881  -0.098  -2.183
   22    HB3  HIS   5           HB2      HIS   5  -5.777  -1.585  -1.954
   23    HD1  HIS   5           HD1      HIS   5  -7.828  -1.777  -3.391
   24    HD2  HIS   5           HD2      HIS   5  -6.647   2.166  -2.837
   25    HE1  HIS   5           HE1      HIS   5  -9.346  -0.389  -4.854
   26    HA   PRO   6           HA       PRO   6  -4.163  -1.852   3.096
   27    HB2  PRO   6           HB2      PRO   6  -6.241  -4.000   2.917
   28    HB3  PRO   6           HB3      PRO   6  -5.508  -3.269   4.352
   29    HG2  PRO   6           HG3      PRO   6  -7.925  -2.512   3.641
   30    HG3  PRO   6           HG2      PRO   6  -6.737  -1.291   4.125
   31    HD2  PRO   6           HD3      PRO   6  -7.684  -2.021   1.385
   32    HD3  PRO   6           HD2      PRO   6  -7.306  -0.424   2.062
   33    H    ALA   7           H        ALA   7  -5.452  -3.794   0.432
   34    HA   ALA   7           HA       ALA   7  -3.499  -5.851   0.692
   35    HB1  ALA   7           HB1      ALA   7  -4.380  -6.746  -1.364
   36    HB2  ALA   7           HB2      ALA   7  -5.205  -5.230  -1.706
   37    HB3  ALA   7           HB3      ALA   7  -5.717  -6.218  -0.338
   38    H    CYS   8           H        CYS   8  -3.773  -2.993  -1.368
   39    HA   CYS   8           HA       CYS   8  -1.426  -3.739  -2.934
   40    HB2  CYS   8           HB3      CYS   8  -3.559  -2.424  -3.729
   41    HB3  CYS   8           HB2      CYS   8  -2.748  -1.053  -2.984
   42    H    ASN   9           H        ASN   9  -2.071  -2.218  -0.078
   43    HA   ASN   9           HA       ASN   9  -0.227  -0.134   0.166
   44    HB2  ASN   9           HB3      ASN   9  -2.118  -0.796   1.702
   45    HB3  ASN   9           HB2      ASN   9  -1.050  -2.067   2.256
   46   HD21  ASN   9          HD22      ASN   9  -1.678   1.269   2.290
   47   HD22  ASN   9          HD21      ASN   9  -0.546   1.730   3.511
   48    H    VAL  10           H        VAL  10  -0.047  -3.494   0.849
   49    HA   VAL  10           HA       VAL  10   2.453  -3.606   2.122
   50    HB   VAL  10           HB       VAL  10   1.086  -5.797   0.594
   51   HG11  VAL  10          HG11      VAL  10   3.157  -5.967   2.783
   52   HG12  VAL  10          HG12      VAL  10   3.397  -6.373   1.084
   53   HG13  VAL  10          HG13      VAL  10   2.308  -7.344   2.077
   54   HG21  VAL  10          HG21      VAL  10   0.841  -5.041   3.500
   55   HG22  VAL  10          HG22      VAL  10   0.133  -6.478   2.764
   56   HG23  VAL  10          HG23      VAL  10  -0.406  -4.874   2.265
   57    H    ASP  11           H        ASP  11   1.648  -3.760  -1.319
   58    HA   ASP  11           HA       ASP  11   4.393  -4.449  -1.859
   59    HB2  ASP  11           HB3      ASP  11   3.765  -4.669  -4.257
   60    HB3  ASP  11           HB2      ASP  11   2.845  -5.714  -3.198
   61    H    HIS  12           H        HIS  12   3.085  -1.650  -1.113
   62    HA   HIS  12           HA       HIS  12   5.009  -0.247  -2.771
   63    HB2  HIS  12           HB3      HIS  12   2.431   0.578  -1.571
   64    HB3  HIS  12           HB2      HIS  12   3.636   1.759  -2.020
   65    HD1  HIS  12           HD1      HIS  12   3.740   2.365  -4.560
   66    HD2  HIS  12           HD2      HIS  12   1.265  -0.867  -3.714
   67    HE1  HIS  12           HE1      HIS  12   2.428   1.949  -6.636
   68    HA   PRO  13           HA       PRO  13   6.287  -0.352   1.715
   69    HB2  PRO  13           HB2      PRO  13   8.981  -0.951   0.828
   70    HB3  PRO  13           HB3      PRO  13   7.897  -1.956   1.789
   71    HG2  PRO  13           HG3      PRO  13   8.630  -2.543  -0.769
   72    HG3  PRO  13           HG2      PRO  13   7.098  -3.067  -0.053
   73    HD2  PRO  13           HD3      PRO  13   7.649  -0.786  -1.909
   74    HD3  PRO  13           HD2      PRO  13   6.282  -1.924  -1.889
   75    H    GLU  14           H        GLU  14   7.434   1.300  -0.991
   76    HA   GLU  14           HA       GLU  14   9.186   3.040   0.426
   77    HB2  GLU  14           HB3      GLU  14   9.296   4.160  -1.766
   78    HB3  GLU  14           HB2      GLU  14   9.823   2.482  -1.777
   79    HG2  GLU  14           HG3      GLU  14   7.603   1.881  -2.724
   80    HG3  GLU  14           HG2      GLU  14   7.209   3.601  -2.780
   81    H    ILE  15           H        ILE  15   5.856   2.915  -0.315
   82    HA   ILE  15           HA       ILE  15   5.566   5.759   0.342
   83    HB   ILE  15           HB       ILE  15   3.358   3.885  -0.577
   84   HG12  ILE  15          HG13      ILE  15   5.038   5.761  -2.279
   85   HG13  ILE  15          HG12      ILE  15   5.044   4.000  -2.337
   86   HG21  ILE  15          HG21      ILE  15   2.184   5.982  -1.112
   87   HG22  ILE  15          HG22      ILE  15   3.563   6.903  -0.513
   88   HG23  ILE  15          HG23      ILE  15   2.623   5.903   0.595
   89   HD11  ILE  15          HD11      ILE  15   2.691   5.743  -3.017
   90   HD12  ILE  15          HD12      ILE  15   2.762   3.986  -3.137
   91   HD13  ILE  15          HD13      ILE  15   3.776   4.986  -4.181
   92    H    CYS  16           H        CYS  16   4.470   2.533   1.105
   93    HA   CYS  16           HA       CYS  16   3.894   3.363   3.820
   94    HB2  CYS  16           2HB      CYS  16   2.374   1.620   2.003
   95    HB3  CYS  16           1HB      CYS  16   2.056   1.723   3.731
   96    HN1  NH2  17           1H       NH2  17   5.897   2.490   4.418
   97    HN2  NH2  17           2H       NH2  17   6.213   0.784   4.423
  Start of MODEL    8
    1    H1   GLY   1           H1       GLY   1  -5.825   6.136  -3.381
    2    H2   GLY   1           H2       GLY   1  -5.424   5.442  -4.877
    3    H3   GLY   1           H3       GLY   1  -5.173   7.093  -4.622
    4    HA2  GLY   1           HA2      GLY   1  -3.129   5.841  -4.489
    5    HA3  GLY   1           HA3      GLY   1  -3.535   6.564  -2.937
    6    H    CYS   2           H        CYS   2  -2.061   4.042  -3.874
    7    HA   CYS   2           HA       CYS   2  -3.550   1.841  -3.150
    8    HB2  CYS   2           HB3      CYS   2  -0.839   2.478  -3.676
    9    HB3  CYS   2           HB2      CYS   2  -1.099   0.950  -2.840
   10    H    CYS   3           H        CYS   3  -2.010   4.102  -1.210
   11    HA   CYS   3           HA       CYS   3  -1.499   2.414   0.932
   12    HB2  CYS   3           HB3      CYS   3  -1.980   5.333   0.728
   13    HB3  CYS   3           HB2      CYS   3  -1.684   4.556   2.270
   14    H    SER   4           H        SER   4  -4.263   4.075  -0.011
   15    HA   SER   4           HA       SER   4  -5.872   3.258   2.244
   16    HB2  SER   4           HB3      SER   4  -6.677   4.405  -0.433
   17    HB3  SER   4           HB2      SER   4  -7.745   4.242   0.964
   18    HG   SER   4           HG       SER   4  -5.969   5.425   2.066
   19    H    HIS   5           H        HIS   5  -4.547   1.483  -0.049
   20    HA   HIS   5           HA       HIS   5  -6.742  -0.461  -0.260
   21    HB2  HIS   5           HB3      HIS   5  -4.530   0.295  -2.105
   22    HB3  HIS   5           HB2      HIS   5  -5.375  -1.238  -2.310
   23    HD1  HIS   5           HD1      HIS   5  -7.564  -1.132  -3.653
   24    HD2  HIS   5           HD2      HIS   5  -6.134   2.624  -2.591
   25    HE1  HIS   5           HE1      HIS   5  -9.012   0.521  -4.868
   26    HA   PRO   6           HA       PRO   6  -3.574  -2.149   2.681
   27    HB2  PRO   6           HB2      PRO   6  -5.606  -4.333   2.511
   28    HB3  PRO   6           HB3      PRO   6  -4.773  -3.691   3.931
   29    HG2  PRO   6           HG3      PRO   6  -7.277  -2.975   3.441
   30    HG3  PRO   6           HG2      PRO   6  -6.099  -1.780   4.011
   31    HD2  PRO   6           HD3      PRO   6  -7.249  -2.150   1.291
   32    HD3  PRO   6           HD2      PRO   6  -6.748  -0.662   2.116
   33    H    ALA   7           H        ALA   7  -5.113  -4.060   0.111
   34    HA   ALA   7           HA       ALA   7  -3.092  -6.040  -0.016
   35    HB1  ALA   7           HB1      ALA   7  -5.113  -5.287  -2.119
   36    HB2  ALA   7           HB2      ALA   7  -5.366  -6.446  -0.815
   37    HB3  ALA   7           HB3      ALA   7  -4.171  -6.775  -2.068
   38    H    CYS   8           H        CYS   8  -3.314  -2.885  -1.431
   39    HA   CYS   8           HA       CYS   8  -1.164  -3.482  -3.354
   40    HB2  CYS   8           HB3      CYS   8  -3.245  -2.057  -3.924
   41    HB3  CYS   8           HB2      CYS   8  -2.528  -0.862  -2.848
   42    H    ASN   9           H        ASN   9  -1.795  -2.140  -0.316
   43    HA   ASN   9           HA       ASN   9   0.380  -0.283  -0.131
   44    HB2  ASN   9           HB3      ASN   9  -1.847  -0.308   1.110
   45    HB3  ASN   9           HB2      ASN   9  -1.129  -1.593   2.048
   46   HD21  ASN   9          HD22      ASN   9  -2.043   1.037   2.772
   47   HD22  ASN   9          HD21      ASN   9  -0.751   1.794   3.636
   48    H    VAL  10           H        VAL  10  -0.364  -3.480   0.893
   49    HA   VAL  10           HA       VAL  10   1.828  -3.973   2.537
   50    HB   VAL  10           HB       VAL  10  -0.241  -5.351   2.472
   51   HG11  VAL  10          HG11      VAL  10  -0.453  -7.195   0.890
   52   HG12  VAL  10          HG12      VAL  10   0.933  -6.569  -0.001
   53   HG13  VAL  10          HG13      VAL  10  -0.545  -5.615   0.110
   54   HG21  VAL  10          HG21      VAL  10   2.319  -6.909   2.196
   55   HG22  VAL  10          HG22      VAL  10   0.825  -7.514   2.907
   56   HG23  VAL  10          HG23      VAL  10   1.689  -6.183   3.676
   57    H    ASP  11           H        ASP  11   1.723  -3.912  -0.950
   58    HA   ASP  11           HA       ASP  11   4.412  -5.022  -0.861
   59    HB2  ASP  11           HB3      ASP  11   4.296  -5.718  -3.147
   60    HB3  ASP  11           HB2      ASP  11   2.900  -6.348  -2.292
   61    H    HIS  12           H        HIS  12   3.099  -2.108  -0.842
   62    HA   HIS  12           HA       HIS  12   5.321  -1.069  -2.370
   63    HB2  HIS  12           HB3      HIS  12   2.593  -0.057  -1.962
   64    HB3  HIS  12           HB2      HIS  12   3.893   1.060  -2.315
   65    HD1  HIS  12           HD1      HIS  12   5.219   0.238  -4.799
   66    HD2  HIS  12           HD2      HIS  12   1.297  -0.945  -4.044
   67    HE1  HIS  12           HE1      HIS  12   4.237  -0.316  -7.020
   68    HA   PRO  13           HA       PRO  13   6.030   0.138   2.059
   69    HB2  PRO  13           HB2      PRO  13   8.659  -0.433   2.135
   70    HB3  PRO  13           HB3      PRO  13   7.447  -1.697   2.371
   71    HG2  PRO  13           HG3      PRO  13   9.005  -1.000  -0.088
   72    HG3  PRO  13           HG2      PRO  13   8.652  -2.601   0.585
   73    HD2  PRO  13           HD3      PRO  13   7.271  -1.530  -1.490
   74    HD3  PRO  13           HD2      PRO  13   6.532  -2.644  -0.323
   75    H    GLU  14           H        GLU  14   7.229   0.860  -0.957
   76    HA   GLU  14           HA       GLU  14   8.952   3.014  -0.477
   77    HB2  GLU  14           HB3      GLU  14   8.657   3.363  -2.859
   78    HB3  GLU  14           HB2      GLU  14   8.960   1.666  -2.503
   79    HG2  GLU  14           HG3      GLU  14   6.481   1.297  -2.655
   80    HG3  GLU  14           HG2      GLU  14   6.355   2.971  -3.187
   81    H    ILE  15           H        ILE  15   5.473   2.632  -0.751
   82    HA   ILE  15           HA       ILE  15   5.137   5.538  -0.843
   83    HB   ILE  15           HB       ILE  15   2.927   3.461  -1.065
   84   HG12  ILE  15          HG13      ILE  15   4.431   3.084  -2.951
   85   HG13  ILE  15          HG12      ILE  15   2.956   3.844  -3.501
   86   HG21  ILE  15          HG21      ILE  15   2.182   5.695  -0.447
   87   HG22  ILE  15          HG22      ILE  15   1.664   5.302  -2.089
   88   HG23  ILE  15          HG23      ILE  15   3.037   6.376  -1.832
   89   HD11  ILE  15          HD11      ILE  15   4.092   6.005  -3.640
   90   HD12  ILE  15          HD12      ILE  15   4.892   4.784  -4.632
   91   HD13  ILE  15          HD13      ILE  15   5.587   5.253  -3.081
   92    H    CYS  16           H        CYS  16   3.861   2.733   0.825
   93    HA   CYS  16           HA       CYS  16   3.923   4.246   3.285
   94    HB2  CYS  16           2HB      CYS  16   1.742   2.607   2.188
   95    HB3  CYS  16           1HB      CYS  16   1.836   2.907   3.921
   96    HN1  NH2  17           1H       NH2  17   2.801   0.923   2.749
   97    HN2  NH2  17           2H       NH2  17   4.148   0.191   3.537
  Start of MODEL    9
    1    H1   GLY   1           H1       GLY   1  -5.909   6.973  -3.883
    2    H2   GLY   1           H2       GLY   1  -5.572   6.250  -2.399
    3    H3   GLY   1           H3       GLY   1  -6.446   5.404  -3.557
    4    HA2  GLY   1           HA2      GLY   1  -4.521   5.339  -4.995
    5    HA3  GLY   1           HA3      GLY   1  -3.607   6.147  -3.726
    6    H    CYS   2           H        CYS   2  -2.435   3.904  -4.240
    7    HA   CYS   2           HA       CYS   2  -3.587   1.570  -3.349
    8    HB2  CYS   2           HB3      CYS   2  -1.017   2.500  -4.089
    9    HB3  CYS   2           HB2      CYS   2  -0.990   1.017  -3.139
   10    H    CYS   3           H        CYS   3  -2.185   4.055  -1.560
   11    HA   CYS   3           HA       CYS   3  -1.489   2.469   0.630
   12    HB2  CYS   3           HB3      CYS   3  -1.889   5.371   0.237
   13    HB3  CYS   3           HB2      CYS   3  -1.663   4.714   1.847
   14    H    SER   4           H        SER   4  -4.327   4.040  -0.252
   15    HA   SER   4           HA       SER   4  -5.789   3.391   2.156
   16    HB2  SER   4           HB3      SER   4  -6.857   4.212  -0.551
   17    HB3  SER   4           HB2      SER   4  -7.729   4.282   0.983
   18    HG   SER   4           HG       SER   4  -6.672   5.996   1.546
   19    H    HIS   5           H        HIS   5  -4.641   1.569  -0.292
   20    HA   HIS   5           HA       HIS   5  -6.832  -0.373  -0.291
   21    HB2  HIS   5           HB3      HIS   5  -4.588   0.225  -2.163
   22    HB3  HIS   5           HB2      HIS   5  -5.399  -1.331  -2.253
   23    HD1  HIS   5           HD1      HIS   5  -7.244  -1.347  -3.974
   24    HD2  HIS   5           HD2      HIS   5  -6.601   2.447  -2.425
   25    HE1  HIS   5           HE1      HIS   5  -8.827   0.174  -5.198
   26    HA   PRO   6           HA       PRO   6  -4.161  -2.131   2.943
   27    HB2  PRO   6           HB2      PRO   6  -6.063  -4.357   2.338
   28    HB3  PRO   6           HB3      PRO   6  -5.504  -3.755   3.904
   29    HG2  PRO   6           HG3      PRO   6  -7.894  -3.072   3.022
   30    HG3  PRO   6           HG2      PRO   6  -6.857  -1.871   3.813
   31    HD2  PRO   6           HD3      PRO   6  -7.516  -2.192   0.925
   32    HD3  PRO   6           HD2      PRO   6  -7.206  -0.715   1.860
   33    H    ALA   7           H        ALA   7  -5.130  -4.046   0.113
   34    HA   ALA   7           HA       ALA   7  -2.969  -5.884   0.434
   35    HB1  ALA   7           HB1      ALA   7  -3.684  -6.873  -1.653
   36    HB2  ALA   7           HB2      ALA   7  -4.719  -5.486  -1.984
   37    HB3  ALA   7           HB3      ALA   7  -5.079  -6.550  -0.624
   38    H    CYS   8           H        CYS   8  -3.440  -2.994  -1.476
   39    HA   CYS   8           HA       CYS   8  -1.073  -3.504  -3.109
   40    HB2  CYS   8           HB3      CYS   8  -3.198  -2.281  -3.920
   41    HB3  CYS   8           HB2      CYS   8  -2.632  -0.931  -2.938
   42    H    ASN   9           H        ASN   9  -1.905  -1.970  -0.215
   43    HA   ASN   9           HA       ASN   9   0.041   0.025   0.056
   44    HB2  ASN   9           HB3      ASN   9  -1.998  -0.453   1.514
   45    HB3  ASN   9           HB2      ASN   9  -1.024  -1.744   2.187
   46   HD21  ASN   9          HD22      ASN   9  -1.672   1.559   2.249
   47   HD22  ASN   9          HD21      ASN   9  -0.522   2.011   3.462
   48    H    VAL  10           H        VAL  10  -0.069  -3.306   0.930
   49    HA   VAL  10           HA       VAL  10   2.323  -3.513   2.373
   50    HB   VAL  10           HB       VAL  10   0.854  -5.679   0.902
   51   HG11  VAL  10          HG11      VAL  10   3.114  -6.395   1.489
   52   HG12  VAL  10          HG12      VAL  10   1.928  -7.233   2.490
   53   HG13  VAL  10          HG13      VAL  10   2.854  -5.890   3.159
   54   HG21  VAL  10          HG21      VAL  10  -0.175  -6.167   3.095
   55   HG22  VAL  10          HG22      VAL  10  -0.587  -4.562   2.492
   56   HG23  VAL  10          HG23      VAL  10   0.627  -4.744   3.757
   57    H    ASP  11           H        ASP  11   1.705  -3.985  -1.097
   58    HA   ASP  11           HA       ASP  11   4.442  -4.834  -1.392
   59    HB2  ASP  11           HB3      ASP  11   3.992  -5.293  -3.751
   60    HB3  ASP  11           HB2      ASP  11   2.820  -6.081  -2.717
   61    H    HIS  12           H        HIS  12   3.137  -1.937  -1.088
   62    HA   HIS  12           HA       HIS  12   5.290  -0.748  -2.642
   63    HB2  HIS  12           HB3      HIS  12   2.625   0.234  -1.826
   64    HB3  HIS  12           HB2      HIS  12   3.906   1.358  -2.221
   65    HD1  HIS  12           HD1      HIS  12   4.695   1.229  -4.883
   66    HD2  HIS  12           HD2      HIS  12   1.201  -0.775  -3.835
   67    HE1  HIS  12           HE1      HIS  12   3.455   0.876  -7.018
   68    HA   PRO  13           HA       PRO  13   6.008  -0.370   1.973
   69    HB2  PRO  13           HB2      PRO  13   8.806  -1.017   1.366
   70    HB3  PRO  13           HB3      PRO  13   7.693  -1.841   2.461
   71    HG2  PRO  13           HG3      PRO  13   8.491  -2.977   0.164
   72    HG3  PRO  13           HG2      PRO  13   6.857  -3.213   0.810
   73    HD2  PRO  13           HD3      PRO  13   7.788  -1.337  -1.328
   74    HD3  PRO  13           HD2      PRO  13   6.373  -2.421  -1.336
   75    H    GLU  14           H        GLU  14   7.670   0.774  -0.740
   76    HA   GLU  14           HA       GLU  14   9.141   2.827   0.507
   77    HB2  GLU  14           HB3      GLU  14   9.438   3.569  -1.850
   78    HB3  GLU  14           HB2      GLU  14   9.989   1.934  -1.513
   79    HG2  GLU  14           HG3      GLU  14   7.819   1.123  -2.494
   80    HG3  GLU  14           HG2      GLU  14   7.484   2.792  -2.950
   81    H    ILE  15           H        ILE  15   5.905   2.526  -0.699
   82    HA   ILE  15           HA       ILE  15   5.534   5.417  -0.566
   83    HB   ILE  15           HB       ILE  15   3.490   3.316  -1.393
   84   HG12  ILE  15          HG13      ILE  15   5.193   5.154  -3.092
   85   HG13  ILE  15          HG12      ILE  15   5.342   3.403  -2.994
   86   HG21  ILE  15          HG21      ILE  15   3.456   6.325  -1.670
   87   HG22  ILE  15          HG22      ILE  15   2.490   5.384  -0.533
   88   HG23  ILE  15          HG23      ILE  15   2.217   5.223  -2.269
   89   HD11  ILE  15          HD11      ILE  15   2.962   4.909  -4.066
   90   HD12  ILE  15          HD12      ILE  15   3.130   3.156  -3.999
   91   HD13  ILE  15          HD13      ILE  15   4.193   4.107  -5.039
   92    H    CYS  16           H        CYS  16   4.254   2.458   0.780
   93    HA   CYS  16           HA       CYS  16   3.729   3.895   3.198
   94    HB2  CYS  16           2HB      CYS  16   1.808   2.404   1.590
   95    HB3  CYS  16           1HB      CYS  16   1.595   2.414   3.341
   96    HN1  NH2  17           1H       NH2  17   3.060   0.553   2.110
   97    HN2  NH2  17           2H       NH2  17   4.068  -0.161   3.306
  Start of MODEL   10
    1    H1   GLY   1           H1       GLY   1  -5.806   5.625  -3.400
    2    H2   GLY   1           H2       GLY   1  -4.862   7.025  -3.706
    3    H3   GLY   1           H3       GLY   1  -4.541   6.051  -2.376
    4    HA2  GLY   1           HA2      GLY   1  -4.283   5.147  -5.164
    5    HA3  GLY   1           HA3      GLY   1  -2.953   5.686  -4.140
    6    H    CYS   2           H        CYS   2  -2.042   3.528  -4.418
    7    HA   CYS   2           HA       CYS   2  -3.414   1.263  -3.723
    8    HB2  CYS   2           HB3      CYS   2  -0.736   2.016  -4.285
    9    HB3  CYS   2           HB2      CYS   2  -0.871   0.543  -3.325
   10    H    CYS   3           H        CYS   3  -1.598   3.409  -1.803
   11    HA   CYS   3           HA       CYS   3  -1.554   1.648   0.395
   12    HB2  CYS   3           HB3      CYS   3  -0.759   4.409  -0.044
   13    HB3  CYS   3           HB2      CYS   3  -1.220   3.966   1.597
   14    H    SER   4           H        SER   4  -3.823   3.805  -0.701
   15    HA   SER   4           HA       SER   4  -5.440   3.871   1.651
   16    HB2  SER   4           HB3      SER   4  -6.339   4.177  -1.224
   17    HB3  SER   4           HB2      SER   4  -7.187   4.759   0.212
   18    HG   SER   4           HG       SER   4  -4.841   5.741   0.450
   19    H    HIS   5           H        HIS   5  -4.691   1.410  -0.527
   20    HA   HIS   5           HA       HIS   5  -7.071  -0.162   0.116
   21    HB2  HIS   5           HB3      HIS   5  -5.037  -0.321  -2.086
   22    HB3  HIS   5           HB2      HIS   5  -6.172  -1.630  -1.779
   23    HD1  HIS   5           HD1      HIS   5  -8.377  -1.444  -3.011
   24    HD2  HIS   5           HD2      HIS   5  -6.352   2.181  -2.816
   25    HE1  HIS   5           HE1      HIS   5  -9.679   0.160  -4.439
   26    HA   PRO   6           HA       PRO   6  -4.341  -2.155   3.055
   27    HB2  PRO   6           HB2      PRO   6  -5.845  -4.485   3.304
   28    HB3  PRO   6           HB3      PRO   6  -6.074  -3.006   4.239
   29    HG2  PRO   6           HG3      PRO   6  -7.541  -3.964   1.827
   30    HG3  PRO   6           HG2      PRO   6  -8.160  -3.117   3.254
   31    HD2  PRO   6           HD3      PRO   6  -7.782  -1.860   0.928
   32    HD3  PRO   6           HD2      PRO   6  -7.470  -1.043   2.474
   33    H    ALA   7           H        ALA   7  -5.461  -3.878   0.172
   34    HA   ALA   7           HA       ALA   7  -3.510  -5.944   0.391
   35    HB1  ALA   7           HB1      ALA   7  -5.616  -6.267  -0.833
   36    HB2  ALA   7           HB2      ALA   7  -4.201  -6.640  -1.819
   37    HB3  ALA   7           HB3      ALA   7  -5.064  -5.120  -2.057
   38    H    CYS   8           H        CYS   8  -3.664  -2.960  -1.543
   39    HA   CYS   8           HA       CYS   8  -1.168  -3.594  -2.902
   40    HB2  CYS   8           HB3      CYS   8  -3.288  -2.283  -3.784
   41    HB3  CYS   8           HB2      CYS   8  -2.487  -0.931  -2.995
   42    H    ASN   9           H        ASN   9  -2.130  -2.055  -0.092
   43    HA   ASN   9           HA       ASN   9  -0.239  -0.058   0.358
   44    HB2  ASN   9           HB3      ASN   9  -2.268  -0.735   1.732
   45    HB3  ASN   9           HB2      ASN   9  -1.253  -2.024   2.335
   46   HD21  ASN   9          HD22      ASN   9  -1.880   1.314   2.436
   47   HD22  ASN   9          HD21      ASN   9  -0.800   1.707   3.735
   48    H    VAL  10           H        VAL  10  -0.204  -3.446   0.892
   49    HA   VAL  10           HA       VAL  10   2.207  -3.727   2.318
   50    HB   VAL  10           HB       VAL  10   0.884  -5.758   0.556
   51   HG11  VAL  10          HG11      VAL  10   3.141  -6.412   1.183
   52   HG12  VAL  10          HG12      VAL  10   1.956  -7.424   2.009
   53   HG13  VAL  10          HG13      VAL  10   2.769  -6.126   2.885
   54   HG21  VAL  10          HG21      VAL  10   0.442  -5.193   3.480
   55   HG22  VAL  10          HG22      VAL  10  -0.247  -6.553   2.596
   56   HG23  VAL  10          HG23      VAL  10  -0.707  -4.903   2.175
   57    H    ASP  11           H        ASP  11   1.540  -3.848  -1.164
   58    HA   ASP  11           HA       ASP  11   4.311  -4.491  -1.604
   59    HB2  ASP  11           HB3      ASP  11   3.691  -4.680  -4.011
   60    HB3  ASP  11           HB2      ASP  11   2.873  -5.808  -2.949
   61    H    HIS  12           H        HIS  12   3.140  -1.724  -0.780
   62    HA   HIS  12           HA       HIS  12   4.874  -0.323  -2.629
   63    HB2  HIS  12           HB3      HIS  12   2.374   0.441  -1.300
   64    HB3  HIS  12           HB2      HIS  12   3.569   1.698  -1.573
   65    HD1  HIS  12           HD1      HIS  12   3.643   2.642  -4.016
   66    HD2  HIS  12           HD2      HIS  12   1.368  -0.818  -3.605
   67    HE1  HIS  12           HE1      HIS  12   2.517   2.294  -6.212
   68    HA   PRO  13           HA       PRO  13   7.036  -0.339   1.510
   69    HB2  PRO  13           HB2      PRO  13   9.394  -0.310  -0.274
   70    HB3  PRO  13           HB3      PRO  13   9.054  -1.387   1.080
   71    HG2  PRO  13           HG3      PRO  13   8.931  -2.282  -1.425
   72    HG3  PRO  13           HG2      PRO  13   7.744  -2.811  -0.218
   73    HD2  PRO  13           HD3      PRO  13   7.452  -0.742  -2.372
   74    HD3  PRO  13           HD2      PRO  13   6.320  -2.019  -1.876
   75    H    GLU  14           H        GLU  14   7.396   1.366  -1.389
   76    HA   GLU  14           HA       GLU  14   9.007   3.490  -0.515
   77    HB2  GLU  14           HB3      GLU  14   8.286   4.492  -2.638
   78    HB3  GLU  14           HB2      GLU  14   8.979   2.885  -2.818
   79    HG2  GLU  14           HG3      GLU  14   6.688   1.976  -3.014
   80    HG3  GLU  14           HG2      GLU  14   6.066   3.618  -2.860
   81    H    ILE  15           H        ILE  15   5.634   2.816  -0.201
   82    HA   ILE  15           HA       ILE  15   5.147   5.644   0.475
   83    HB   ILE  15           HB       ILE  15   2.980   3.631  -0.196
   84   HG12  ILE  15          HG13      ILE  15   4.291   3.953  -2.237
   85   HG13  ILE  15          HG12      ILE  15   2.733   4.732  -2.379
   86   HG21  ILE  15          HG21      ILE  15   2.910   6.640  -0.033
   87   HG22  ILE  15          HG22      ILE  15   2.267   5.521   1.170
   88   HG23  ILE  15          HG23      ILE  15   1.547   5.597  -0.439
   89   HD11  ILE  15          HD11      ILE  15   4.470   6.116  -3.340
   90   HD12  ILE  15          HD12      ILE  15   5.336   6.125  -1.804
   91   HD13  ILE  15          HD13      ILE  15   3.759   6.904  -1.930
   92    H    CYS  16           H        CYS  16   4.315   2.349   1.323
   93    HA   CYS  16           HA       CYS  16   3.897   3.213   4.065
   94    HB2  CYS  16           2HB      CYS  16   2.464   1.186   2.477
   95    HB3  CYS  16           1HB      CYS  16   2.180   1.464   4.194
   96    HN1  NH2  17           1H       NH2  17   3.926  -0.010   2.564
   97    HN2  NH2  17           2H       NH2  17   5.252  -0.604   3.490
  Start of MODEL   11
    1    H1   GLY   1           H1       GLY   1  -4.338   7.490  -4.029
    2    H2   GLY   1           H2       GLY   1  -3.518   6.756  -2.758
    3    H3   GLY   1           H3       GLY   1  -5.186   6.541  -2.912
    4    HA2  GLY   1           HA2      GLY   1  -4.861   5.341  -4.954
    5    HA3  GLY   1           HA3      GLY   1  -3.129   5.582  -4.785
    6    H    CYS   2           H        CYS   2  -2.257   3.680  -4.284
    7    HA   CYS   2           HA       CYS   2  -3.576   1.537  -3.244
    8    HB2  CYS   2           HB3      CYS   2  -0.872   2.297  -3.748
    9    HB3  CYS   2           HB2      CYS   2  -1.148   0.791  -2.874
   10    H    CYS   3           H        CYS   3  -2.188   4.072  -1.520
   11    HA   CYS   3           HA       CYS   3  -1.470   2.623   0.742
   12    HB2  CYS   3           HB3      CYS   3  -2.079   5.485   0.278
   13    HB3  CYS   3           HB2      CYS   3  -1.673   4.868   1.862
   14    H    SER   4           H        SER   4  -4.376   4.036  -0.179
   15    HA   SER   4           HA       SER   4  -5.699   3.355   2.330
   16    HB2  SER   4           HB3      SER   4  -7.778   4.140   1.118
   17    HB3  SER   4           HB2      SER   4  -6.502   5.350   1.281
   18    HG   SER   4           HG       SER   4  -5.984   5.090  -0.815
   19    H    HIS   5           H        HIS   5  -4.528   1.405   0.245
   20    HA   HIS   5           HA       HIS   5  -6.797  -0.445   0.086
   21    HB2  HIS   5           HB3      HIS   5  -4.632   0.221  -1.852
   22    HB3  HIS   5           HB2      HIS   5  -5.482  -1.319  -1.975
   23    HD1  HIS   5           HD1      HIS   5  -7.602  -1.252  -3.368
   24    HD2  HIS   5           HD2      HIS   5  -6.383   2.522  -2.140
   25    HE1  HIS   5           HE1      HIS   5  -9.175   0.368  -4.460
   26    HA   PRO   6           HA       PRO   6  -3.905  -2.335   3.036
   27    HB2  PRO   6           HB2      PRO   6  -5.883  -4.520   2.527
   28    HB3  PRO   6           HB3      PRO   6  -5.171  -3.991   4.058
   29    HG2  PRO   6           HG3      PRO   6  -7.608  -3.208   3.478
   30    HG3  PRO   6           HG2      PRO   6  -6.449  -2.034   4.118
   31    HD2  PRO   6           HD3      PRO   6  -7.391  -2.403   1.304
   32    HD3  PRO   6           HD2      PRO   6  -7.063  -0.903   2.196
   33    H    ALA   7           H        ALA   7  -5.125  -4.137   0.226
   34    HA   ALA   7           HA       ALA   7  -3.029  -6.040   0.311
   35    HB1  ALA   7           HB1      ALA   7  -5.192  -6.527  -0.740
   36    HB2  ALA   7           HB2      ALA   7  -3.849  -6.801  -1.849
   37    HB3  ALA   7           HB3      ALA   7  -4.836  -5.349  -2.003
   38    H    CYS   8           H        CYS   8  -3.489  -3.039  -1.463
   39    HA   CYS   8           HA       CYS   8  -1.084  -3.481  -3.043
   40    HB2  CYS   8           HB3      CYS   8  -3.240  -2.267  -3.838
   41    HB3  CYS   8           HB2      CYS   8  -2.648  -0.915  -2.890
   42    H    ASN   9           H        ASN   9  -1.921  -2.105  -0.080
   43    HA   ASN   9           HA       ASN   9   0.043  -0.110   0.258
   44    HB2  ASN   9           HB3      ASN   9  -2.022  -0.726   1.700
   45    HB3  ASN   9           HB2      ASN   9  -0.953  -1.935   2.374
   46   HD21  ASN   9          HD22      ASN   9  -1.816   1.337   2.390
   47   HD22  ASN   9          HD21      ASN   9  -0.706   1.887   3.576
   48    H    VAL  10           H        VAL  10  -0.100  -3.500   0.773
   49    HA   VAL  10           HA       VAL  10   2.247  -3.970   2.209
   50    HB   VAL  10           HB       VAL  10   0.808  -5.821   0.335
   51   HG11  VAL  10          HG11      VAL  10   3.077  -6.643   0.778
   52   HG12  VAL  10          HG12      VAL  10   1.884  -7.664   1.579
   53   HG13  VAL  10          HG13      VAL  10   2.803  -6.486   2.513
   54   HG21  VAL  10          HG21      VAL  10  -0.613  -5.018   2.124
   55   HG22  VAL  10          HG22      VAL  10   0.596  -5.486   3.320
   56   HG23  VAL  10          HG23      VAL  10  -0.229  -6.722   2.368
   57    H    ASP  11           H        ASP  11   1.741  -4.015  -1.343
   58    HA   ASP  11           HA       ASP  11   4.504  -4.783  -1.624
   59    HB2  ASP  11           HB3      ASP  11   4.107  -5.131  -4.000
   60    HB3  ASP  11           HB2      ASP  11   2.916  -5.978  -3.034
   61    H    HIS  12           H        HIS  12   3.153  -1.918  -1.189
   62    HA   HIS  12           HA       HIS  12   5.300  -0.630  -2.676
   63    HB2  HIS  12           HB3      HIS  12   2.697   0.382  -1.670
   64    HB3  HIS  12           HB2      HIS  12   4.035   1.406  -2.141
   65    HD1  HIS  12           HD1      HIS  12   4.670   1.253  -4.805
   66    HD2  HIS  12           HD2      HIS  12   1.050  -0.405  -3.641
   67    HE1  HIS  12           HE1      HIS  12   3.280   1.129  -6.890
   68    HA   PRO  13           HA       PRO  13   6.133  -0.751   1.924
   69    HB2  PRO  13           HB2      PRO  13   8.937  -1.074   1.076
   70    HB3  PRO  13           HB3      PRO  13   7.981  -2.072   2.180
   71    HG2  PRO  13           HG3      PRO  13   8.626  -2.970  -0.241
   72    HG3  PRO  13           HG2      PRO  13   7.028  -3.295   0.456
   73    HD2  PRO  13           HD3      PRO  13   7.809  -1.194  -1.543
   74    HD3  PRO  13           HD2      PRO  13   6.435  -2.323  -1.577
   75    H    GLU  14           H        GLU  14   7.645   1.107  -0.545
   76    HA   GLU  14           HA       GLU  14   8.657   2.957   1.403
   77    HB2  GLU  14           HB3      GLU  14   9.769   3.977  -0.434
   78    HB3  GLU  14           HB2      GLU  14  10.193   2.275  -0.356
   79    HG2  GLU  14           HG3      GLU  14   8.257   3.555  -2.301
   80    HG3  GLU  14           HG2      GLU  14   9.927   3.146  -2.664
   81    H    ILE  15           H        ILE  15   6.000   2.527  -0.732
   82    HA   ILE  15           HA       ILE  15   5.501   5.413  -0.901
   83    HB   ILE  15           HB       ILE  15   3.727   3.190  -1.966
   84   HG12  ILE  15          HG13      ILE  15   5.943   3.035  -3.042
   85   HG13  ILE  15          HG12      ILE  15   4.720   3.575  -4.182
   86   HG21  ILE  15          HG21      ILE  15   2.773   4.888  -3.413
   87   HG22  ILE  15          HG22      ILE  15   3.797   6.105  -2.656
   88   HG23  ILE  15          HG23      ILE  15   2.565   5.276  -1.704
   89   HD11  ILE  15          HD11      ILE  15   6.799   4.784  -4.476
   90   HD12  ILE  15          HD12      ILE  15   6.745   5.317  -2.794
   91   HD13  ILE  15          HD13      ILE  15   5.518   5.872  -3.935
   92    H    CYS  16           H        CYS  16   4.115   2.505   0.373
   93    HA   CYS  16           HA       CYS  16   2.370   4.097   2.062
   94    HB2  CYS  16           2HB      CYS  16   2.047   1.368   0.987
   95    HB3  CYS  16           1HB      CYS  16   0.872   2.168   2.028
   96    HN1  NH2  17           1H       NH2  17   3.340   0.670   2.146
   97    HN2  NH2  17           2H       NH2  17   4.039   0.738   3.718
  Start of MODEL   12
    1    H1   GLY   1           H1       GLY   1  -6.479   5.349  -4.267
    2    H2   GLY   1           H2       GLY   1  -5.840   6.924  -4.369
    3    H3   GLY   1           H3       GLY   1  -5.902   6.117  -2.899
    4    HA2  GLY   1           HA2      GLY   1  -4.268   5.220  -5.166
    5    HA3  GLY   1           HA3      GLY   1  -3.679   6.186  -3.819
    6    H    CYS   2           H        CYS   2  -2.493   3.773  -4.268
    7    HA   CYS   2           HA       CYS   2  -3.788   1.650  -3.126
    8    HB2  CYS   2           HB3      CYS   2  -1.156   2.266  -4.005
    9    HB3  CYS   2           HB2      CYS   2  -1.327   0.821  -3.009
   10    H    CYS   3           H        CYS   3  -2.147   4.169  -1.667
   11    HA   CYS   3           HA       CYS   3  -1.249   2.901   0.608
   12    HB2  CYS   3           HB3      CYS   3  -2.079   5.679   0.040
   13    HB3  CYS   3           HB2      CYS   3  -1.606   5.199   1.651
   14    H    SER   4           H        SER   4  -4.332   4.035  -0.166
   15    HA   SER   4           HA       SER   4  -5.378   3.205   2.441
   16    HB2  SER   4           HB3      SER   4  -7.557   4.180   1.431
   17    HB3  SER   4           HB2      SER   4  -6.265   5.304   1.859
   18    HG   SER   4           HG       SER   4  -7.128   4.462  -0.687
   19    H    HIS   5           H        HIS   5  -4.394   1.512   0.165
   20    HA   HIS   5           HA       HIS   5  -6.705  -0.293  -0.126
   21    HB2  HIS   5           HB3      HIS   5  -4.389   0.321  -1.891
   22    HB3  HIS   5           HB2      HIS   5  -5.382  -1.095  -2.201
   23    HD1  HIS   5           HD1      HIS   5  -5.233   0.778  -4.551
   24    HD2  HIS   5           HD2      HIS   5  -7.985   1.347  -1.470
   25    HE1  HIS   5           HE1      HIS   5  -7.014   2.243  -5.482
   26    HA   PRO   6           HA       PRO   6  -3.625  -2.131   2.789
   27    HB2  PRO   6           HB2      PRO   6  -5.711  -4.262   2.706
   28    HB3  PRO   6           HB3      PRO   6  -4.880  -3.567   4.100
   29    HG2  PRO   6           HG3      PRO   6  -7.369  -2.840   3.563
   30    HG3  PRO   6           HG2      PRO   6  -6.179  -1.629   4.073
   31    HD2  PRO   6           HD3      PRO   6  -7.273  -2.174   1.347
   32    HD3  PRO   6           HD2      PRO   6  -6.851  -0.627   2.108
   33    H    ALA   7           H        ALA   7  -5.279  -4.159   0.375
   34    HA   ALA   7           HA       ALA   7  -3.197  -6.103   0.346
   35    HB1  ALA   7           HB1      ALA   7  -5.527  -6.687  -0.184
   36    HB2  ALA   7           HB2      ALA   7  -4.413  -7.156  -1.467
   37    HB3  ALA   7           HB3      ALA   7  -5.422  -5.726  -1.660
   38    H    CYS   8           H        CYS   8  -3.624  -3.124  -1.255
   39    HA   CYS   8           HA       CYS   8  -1.730  -3.826  -3.398
   40    HB2  CYS   8           HB3      CYS   8  -3.772  -2.244  -3.661
   41    HB3  CYS   8           HB2      CYS   8  -2.778  -1.149  -2.687
   42    H    ASN   9           H        ASN   9  -1.861  -2.433  -0.305
   43    HA   ASN   9           HA       ASN   9   0.254  -0.496  -0.706
   44    HB2  ASN   9           HB3      ASN   9  -1.918  -0.466   0.757
   45    HB3  ASN   9           HB2      ASN   9  -0.908  -1.368   1.829
   46   HD21  ASN   9          HD22      ASN   9  -1.290   0.284   3.177
   47   HD22  ASN   9          HD21      ASN   9  -0.237   1.671   3.217
   48    H    VAL  10           H        VAL  10  -0.241  -3.569   0.715
   49    HA   VAL  10           HA       VAL  10   2.039  -3.804   2.283
   50    HB   VAL  10           HB       VAL  10   0.264  -5.479   2.382
   51   HG11  VAL  10          HG11      VAL  10   1.199  -6.399  -0.321
   52   HG12  VAL  10          HG12      VAL  10  -0.342  -5.623   0.053
   53   HG13  VAL  10          HG13      VAL  10   0.016  -7.228   0.693
   54   HG21  VAL  10          HG21      VAL  10   2.897  -6.722   1.604
   55   HG22  VAL  10          HG22      VAL  10   1.615  -7.528   2.506
   56   HG23  VAL  10          HG23      VAL  10   2.460  -6.143   3.207
   57    H    ASP  11           H        ASP  11   1.784  -4.038  -1.210
   58    HA   ASP  11           HA       ASP  11   4.591  -4.798  -1.319
   59    HB2  ASP  11           HB3      ASP  11   4.306  -5.266  -3.709
   60    HB3  ASP  11           HB2      ASP  11   3.131  -6.150  -2.755
   61    H    HIS  12           H        HIS  12   3.225  -2.014  -0.788
   62    HA   HIS  12           HA       HIS  12   5.026  -0.568  -2.548
   63    HB2  HIS  12           HB3      HIS  12   2.425   0.082  -1.294
   64    HB3  HIS  12           HB2      HIS  12   3.523   1.368  -1.743
   65    HD1  HIS  12           HD1      HIS  12   1.063  -1.067  -3.171
   66    HD2  HIS  12           HD2      HIS  12   3.858   1.660  -4.520
   67    HE1  HIS  12           HE1      HIS  12   0.518  -0.653  -5.581
   68    HA   PRO  13           HA       PRO  13   6.407  -0.510   1.926
   69    HB2  PRO  13           HB2      PRO  13   9.116  -0.965   0.959
   70    HB3  PRO  13           HB3      PRO  13   8.152  -1.966   2.046
   71    HG2  PRO  13           HG3      PRO  13   8.751  -2.739  -0.473
   72    HG3  PRO  13           HG2      PRO  13   7.223  -3.174   0.312
   73    HD2  PRO  13           HD3      PRO  13   7.776  -0.970  -1.647
   74    HD3  PRO  13           HD2      PRO  13   6.433  -2.139  -1.624
   75    H    GLU  14           H        GLU  14   7.895   1.057  -0.771
   76    HA   GLU  14           HA       GLU  14   9.021   3.001   1.007
   77    HB2  GLU  14           HB3      GLU  14   9.939   3.939  -1.069
   78    HB3  GLU  14           HB2      GLU  14  10.581   2.357  -0.643
   79    HG2  GLU  14           HG3      GLU  14   9.143   1.384  -2.363
   80    HG3  GLU  14           HG2      GLU  14   8.500   2.987  -2.737
   81    H    ILE  15           H        ILE  15   6.071   2.572  -0.128
   82    HA   ILE  15           HA       ILE  15   5.662   5.425  -0.673
   83    HB   ILE  15           HB       ILE  15   3.648   3.206  -1.111
   84   HG12  ILE  15          HG13      ILE  15   5.546   2.857  -2.640
   85   HG13  ILE  15          HG12      ILE  15   4.117   3.394  -3.515
   86   HG21  ILE  15          HG21      ILE  15   3.702   6.064  -2.076
   87   HG22  ILE  15          HG22      ILE  15   2.679   5.420  -0.794
   88   HG23  ILE  15          HG23      ILE  15   2.456   4.872  -2.457
   89   HD11  ILE  15          HD11      ILE  15   6.489   5.094  -2.776
   90   HD12  ILE  15          HD12      ILE  15   5.048   5.649  -3.634
   91   HD13  ILE  15          HD13      ILE  15   6.109   4.448  -4.374
   92    H    CYS  16           H        CYS  16   3.872   2.821   0.880
   93    HA   CYS  16           HA       CYS  16   3.583   4.547   3.172
   94    HB2  CYS  16           2HB      CYS  16   1.479   3.186   1.641
   95    HB3  CYS  16           1HB      CYS  16   1.221   3.640   3.328
   96    HN1  NH2  17           1H       NH2  17   5.059   3.317   4.267
   97    HN2  NH2  17           2H       NH2  17   4.738   1.694   4.779
  Start of MODEL   13
    1    H1   GLY   1           H1       GLY   1  -4.966   6.051  -2.568
    2    H2   GLY   1           H2       GLY   1  -6.056   5.401  -3.664
    3    H3   GLY   1           H3       GLY   1  -5.259   6.841  -4.039
    4    HA2  GLY   1           HA2      GLY   1  -4.341   4.960  -5.242
    5    HA3  GLY   1           HA3      GLY   1  -3.159   5.641  -4.127
    6    H    CYS   2           H        CYS   2  -2.125   3.505  -4.184
    7    HA   CYS   2           HA       CYS   2  -3.538   1.260  -3.413
    8    HB2  CYS   2           HB3      CYS   2  -0.825   1.983  -3.944
    9    HB3  CYS   2           HB2      CYS   2  -1.065   0.465  -3.072
   10    H    CYS   3           H        CYS   3  -1.999   3.675  -1.623
   11    HA   CYS   3           HA       CYS   3  -1.748   2.153   0.756
   12    HB2  CYS   3           HB3      CYS   3  -1.686   5.049   0.135
   13    HB3  CYS   3           HB2      CYS   3  -1.627   4.447   1.771
   14    H    SER   4           H        SER   4  -4.127   4.031  -0.666
   15    HA   SER   4           HA       SER   4  -6.021   4.190   1.469
   16    HB2  SER   4           HB3      SER   4  -6.690   4.104  -1.478
   17    HB3  SER   4           HB2      SER   4  -7.552   4.963  -0.203
   18    HG   SER   4           HG       SER   4  -6.056   6.507  -0.190
   19    H    HIS   5           H        HIS   5  -4.780   1.552   0.009
   20    HA   HIS   5           HA       HIS   5  -7.120  -0.162   0.408
   21    HB2  HIS   5           HB3      HIS   5  -4.907  -0.342  -1.637
   22    HB3  HIS   5           HB2      HIS   5  -6.013  -1.658  -1.278
   23    HD1  HIS   5           HD1      HIS   5  -7.967  -1.790  -2.858
   24    HD2  HIS   5           HD2      HIS   5  -6.352   2.033  -2.669
   25    HE1  HIS   5           HE1      HIS   5  -9.162  -0.465  -4.606
   26    HA   PRO   6           HA       PRO   6  -4.140  -2.135   3.114
   27    HB2  PRO   6           HB2      PRO   6  -5.352  -4.531   3.482
   28    HB3  PRO   6           HB3      PRO   6  -5.927  -3.047   4.248
   29    HG2  PRO   6           HG3      PRO   6  -6.969  -4.455   1.827
   30    HG3  PRO   6           HG2      PRO   6  -7.867  -3.663   3.133
   31    HD2  PRO   6           HD3      PRO   6  -7.422  -2.509   0.690
   32    HD3  PRO   6           HD2      PRO   6  -7.649  -1.593   2.188
   33    H    ALA   7           H        ALA   7  -5.323  -4.015   0.330
   34    HA   ALA   7           HA       ALA   7  -3.187  -5.905   0.504
   35    HB1  ALA   7           HB1      ALA   7  -4.062  -6.902  -1.492
   36    HB2  ALA   7           HB2      ALA   7  -5.064  -5.488  -1.806
   37    HB3  ALA   7           HB3      ALA   7  -5.388  -6.503  -0.402
   38    H    CYS   8           H        CYS   8  -3.690  -3.092  -1.540
   39    HA   CYS   8           HA       CYS   8  -1.223  -3.664  -2.966
   40    HB2  CYS   8           HB3      CYS   8  -3.327  -2.602  -4.006
   41    HB3  CYS   8           HB2      CYS   8  -2.872  -1.137  -3.148
   42    H    ASN   9           H        ASN   9  -1.764  -2.641  -0.010
   43    HA   ASN   9           HA       ASN   9  -0.202  -0.224   0.146
   44    HB2  ASN   9           HB3      ASN   9  -2.085  -1.112   1.698
   45    HB3  ASN   9           HB2      ASN   9  -0.790  -2.076   2.376
   46   HD21  ASN   9          HD22      ASN   9  -2.236   0.931   2.233
   47   HD22  ASN   9          HD21      ASN   9  -1.249   1.782   3.356
   48    H    VAL  10           H        VAL  10   0.159  -3.596   0.743
   49    HA   VAL  10           HA       VAL  10   2.681  -3.445   2.039
   50    HB   VAL  10           HB       VAL  10   1.102  -5.270   2.488
   51   HG11  VAL  10          HG11      VAL  10   0.218  -5.692   0.294
   52   HG12  VAL  10          HG12      VAL  10   0.896  -7.180   0.958
   53   HG13  VAL  10          HG13      VAL  10   1.787  -6.271  -0.261
   54   HG21  VAL  10          HG21      VAL  10   2.720  -7.124   2.556
   55   HG22  VAL  10          HG22      VAL  10   3.429  -5.598   3.083
   56   HG23  VAL  10          HG23      VAL  10   3.778  -6.222   1.471
   57    H    ASP  11           H        ASP  11   1.804  -3.853  -1.349
   58    HA   ASP  11           HA       ASP  11   4.558  -4.516  -1.858
   59    HB2  ASP  11           HB3      ASP  11   3.993  -4.824  -4.237
   60    HB3  ASP  11           HB2      ASP  11   3.012  -5.811  -3.172
   61    H    HIS  12           H        HIS  12   3.166  -1.742  -1.222
   62    HA   HIS  12           HA       HIS  12   5.129  -0.319  -2.810
   63    HB2  HIS  12           HB3      HIS  12   2.494   0.440  -1.689
   64    HB3  HIS  12           HB2      HIS  12   3.673   1.663  -2.123
   65    HD1  HIS  12           HD1      HIS  12   4.082   1.948  -4.767
   66    HD2  HIS  12           HD2      HIS  12   1.084  -0.726  -3.713
   67    HE1  HIS  12           HE1      HIS  12   2.766   1.537  -6.859
   68    HA   PRO  13           HA       PRO  13   6.215  -0.483   1.750
   69    HB2  PRO  13           HB2      PRO  13   8.968  -0.924   0.912
   70    HB3  PRO  13           HB3      PRO  13   7.939  -1.973   1.882
   71    HG2  PRO  13           HG3      PRO  13   8.689  -2.621  -0.640
   72    HG3  PRO  13           HG2      PRO  13   7.126  -3.105   0.038
   73    HD2  PRO  13           HD3      PRO  13   7.764  -0.831  -1.812
   74    HD3  PRO  13           HD2      PRO  13   6.415  -1.988  -1.873
   75    H    GLU  14           H        GLU  14   7.837   1.032  -0.836
   76    HA   GLU  14           HA       GLU  14   9.221   2.937   0.715
   77    HB2  GLU  14           HB3      GLU  14   9.747   3.886  -1.471
   78    HB3  GLU  14           HB2      GLU  14  10.147   2.180  -1.338
   79    HG2  GLU  14           HG3      GLU  14   7.994   1.710  -2.547
   80    HG3  GLU  14           HG2      GLU  14   7.856   3.447  -2.818
   81    H    ILE  15           H        ILE  15   6.043   2.637  -0.232
   82    HA   ILE  15           HA       ILE  15   5.590   5.534  -0.104
   83    HB   ILE  15           HB       ILE  15   3.577   3.404  -0.913
   84   HG12  ILE  15          HG13      ILE  15   5.412   3.460  -2.562
   85   HG13  ILE  15          HG12      ILE  15   3.925   4.094  -3.249
   86   HG21  ILE  15          HG21      ILE  15   3.538   6.409  -1.222
   87   HG22  ILE  15          HG22      ILE  15   2.579   5.465  -0.082
   88   HG23  ILE  15          HG23      ILE  15   2.298   5.302  -1.816
   89   HD11  ILE  15          HD11      ILE  15   4.772   6.376  -2.915
   90   HD12  ILE  15          HD12      ILE  15   5.828   5.413  -3.948
   91   HD13  ILE  15          HD13      ILE  15   6.272   5.709  -2.268
   92    H    CYS  16           H        CYS  16   4.161   2.510   0.970
   93    HA   CYS  16           HA       CYS  16   3.758   3.683   3.583
   94    HB2  CYS  16           2HB      CYS  16   1.893   2.081   1.963
   95    HB3  CYS  16           1HB      CYS  16   1.638   2.360   3.683
   96    HN1  NH2  17           1H       NH2  17   2.912   0.432   2.374
   97    HN2  NH2  17           2H       NH2  17   4.062  -0.386   3.356
  Start of MODEL   14
    1    H1   GLY   1           H1       GLY   1  -6.215   5.079  -3.816
    2    H2   GLY   1           H2       GLY   1  -5.607   6.659  -3.784
    3    H3   GLY   1           H3       GLY   1  -5.505   5.671  -2.413
    4    HA2  GLY   1           HA2      GLY   1  -4.148   5.103  -4.981
    5    HA3  GLY   1           HA3      GLY   1  -3.373   5.779  -3.555
    6    H    CYS   2           H        CYS   2  -2.190   3.555  -4.229
    7    HA   CYS   2           HA       CYS   2  -3.434   1.221  -3.469
    8    HB2  CYS   2           HB3      CYS   2  -0.825   2.083  -4.181
    9    HB3  CYS   2           HB2      CYS   2  -0.841   0.607  -3.208
   10    H    CYS   3           H        CYS   3  -1.897   3.603  -1.642
   11    HA   CYS   3           HA       CYS   3  -1.589   1.899   0.584
   12    HB2  CYS   3           HB3      CYS   3  -1.332   4.790   0.115
   13    HB3  CYS   3           HB2      CYS   3  -1.445   4.191   1.761
   14    H    SER   4           H        SER   4  -4.008   3.924  -0.558
   15    HA   SER   4           HA       SER   4  -5.749   3.927   1.677
   16    HB2  SER   4           HB3      SER   4  -6.653   3.853  -1.193
   17    HB3  SER   4           HB2      SER   4  -7.388   4.719   0.159
   18    HG   SER   4           HG       SER   4  -5.545   6.049   0.209
   19    H    HIS   5           H        HIS   5  -4.952   1.679  -0.803
   20    HA   HIS   5           HA       HIS   5  -7.124  -0.165  -0.283
   21    HB2  HIS   5           HB3      HIS   5  -4.793  -0.179  -2.172
   22    HB3  HIS   5           HB2      HIS   5  -5.994  -1.462  -2.149
   23    HD1  HIS   5           HD1      HIS   5  -5.321   0.663  -4.581
   24    HD2  HIS   5           HD2      HIS   5  -8.621   0.627  -2.041
   25    HE1  HIS   5           HE1      HIS   5  -7.121   1.892  -5.785
   26    HA   PRO   6           HA       PRO   6  -4.517  -1.992   2.993
   27    HB2  PRO   6           HB2      PRO   6  -6.051  -4.348   3.062
   28    HB3  PRO   6           HB3      PRO   6  -6.238  -2.945   4.111
   29    HG2  PRO   6           HG3      PRO   6  -7.751  -3.710   1.674
   30    HG3  PRO   6           HG2      PRO   6  -8.305  -2.836   3.112
   31    HD2  PRO   6           HD3      PRO   6  -7.866  -1.618   0.779
   32    HD3  PRO   6           HD2      PRO   6  -7.513  -0.806   2.318
   33    H    ALA   7           H        ALA   7  -5.570  -3.900   0.187
   34    HA   ALA   7           HA       ALA   7  -3.591  -5.907   0.581
   35    HB1  ALA   7           HB1      ALA   7  -4.349  -6.854  -1.509
   36    HB2  ALA   7           HB2      ALA   7  -5.221  -5.375  -1.895
   37    HB3  ALA   7           HB3      ALA   7  -5.739  -6.369  -0.535
   38    H    CYS   8           H        CYS   8  -3.759  -3.049  -1.455
   39    HA   CYS   8           HA       CYS   8  -1.372  -3.804  -2.940
   40    HB2  CYS   8           HB3      CYS   8  -3.386  -2.465  -3.861
   41    HB3  CYS   8           HB2      CYS   8  -2.705  -1.116  -2.951
   42    H    ASN   9           H        ASN   9  -2.177  -2.090  -0.148
   43    HA   ASN   9           HA       ASN   9  -0.318  -0.087   0.220
   44    HB2  ASN   9           HB3      ASN   9  -2.266  -0.816   1.667
   45    HB3  ASN   9           HB2      ASN   9  -1.170  -2.037   2.283
   46   HD21  ASN   9          HD22      ASN   9  -2.054   1.234   2.390
   47   HD22  ASN   9          HD21      ASN   9  -0.942   1.726   3.617
   48    H    VAL  10           H        VAL  10  -0.101  -3.452   0.887
   49    HA   VAL  10           HA       VAL  10   2.316  -3.495   2.308
   50    HB   VAL  10           HB       VAL  10   1.126  -5.757   0.742
   51   HG11  VAL  10          HG11      VAL  10   2.946  -5.795   3.142
   52   HG12  VAL  10          HG12      VAL  10   3.389  -6.229   1.492
   53   HG13  VAL  10          HG13      VAL  10   2.229  -7.216   2.381
   54   HG21  VAL  10          HG21      VAL  10   0.554  -4.906   3.569
   55   HG22  VAL  10          HG22      VAL  10  -0.036  -6.386   2.812
   56   HG23  VAL  10          HG23      VAL  10  -0.558  -4.814   2.203
   57    H    ASP  11           H        ASP  11   1.710  -3.816  -1.191
   58    HA   ASP  11           HA       ASP  11   4.529  -4.411  -1.486
   59    HB2  ASP  11           HB3      ASP  11   4.155  -4.903  -3.868
   60    HB3  ASP  11           HB2      ASP  11   3.144  -5.878  -2.827
   61    H    HIS  12           H        HIS  12   3.214  -1.675  -0.920
   62    HA   HIS  12           HA       HIS  12   4.979  -0.306  -2.757
   63    HB2  HIS  12           HB3      HIS  12   2.506   0.489  -1.338
   64    HB3  HIS  12           HB2      HIS  12   3.651   1.718  -1.839
   65    HD1  HIS  12           HD1      HIS  12   3.257   2.586  -4.205
   66    HD2  HIS  12           HD2      HIS  12   1.582  -1.167  -3.592
   67    HE1  HIS  12           HE1      HIS  12   2.019   2.039  -6.304
   68    HA   PRO  13           HA       PRO  13   6.925  -0.538   1.437
   69    HB2  PRO  13           HB2      PRO  13   9.472  -0.635   0.054
   70    HB3  PRO  13           HB3      PRO  13   8.730  -1.871   1.068
   71    HG2  PRO  13           HG3      PRO  13   9.041  -2.153  -1.613
   72    HG3  PRO  13           HG2      PRO  13   7.722  -2.907  -0.713
   73    HD2  PRO  13           HD3      PRO  13   7.712  -0.418  -2.353
   74    HD3  PRO  13           HD2      PRO  13   6.494  -1.717  -2.277
   75    H    GLU  14           H        GLU  14   7.741   1.422  -1.235
   76    HA   GLU  14           HA       GLU  14   9.330   3.246   0.281
   77    HB2  GLU  14           HB3      GLU  14   9.347   4.487  -1.834
   78    HB3  GLU  14           HB2      GLU  14  10.001   2.855  -1.962
   79    HG2  GLU  14           HG3      GLU  14   7.962   2.116  -3.018
   80    HG3  GLU  14           HG2      GLU  14   7.219   3.696  -2.753
   81    H    ILE  15           H        ILE  15   6.032   2.781  -0.212
   82    HA   ILE  15           HA       ILE  15   5.498   5.643   0.220
   83    HB   ILE  15           HB       ILE  15   3.435   3.584  -0.621
   84   HG12  ILE  15          HG13      ILE  15   5.134   3.739  -2.403
   85   HG13  ILE  15          HG12      ILE  15   3.608   4.433  -2.918
   86   HG21  ILE  15          HG21      ILE  15   2.124   5.557  -1.283
   87   HG22  ILE  15          HG22      ILE  15   3.421   6.609  -0.715
   88   HG23  ILE  15          HG23      ILE  15   2.542   5.597   0.431
   89   HD11  ILE  15          HD11      ILE  15   6.039   5.972  -2.017
   90   HD12  ILE  15          HD12      ILE  15   4.505   6.677  -2.529
   91   HD13  ILE  15          HD13      ILE  15   5.487   5.766  -3.680
   92    H    CYS  16           H        CYS  16   4.400   2.441   1.120
   93    HA   CYS  16           HA       CYS  16   3.863   3.436   3.781
   94    HB2  CYS  16           2HB      CYS  16   2.249   1.672   2.067
   95    HB3  CYS  16           1HB      CYS  16   1.943   1.809   3.797
   96    HN1  NH2  17           1H       NH2  17   3.525   0.165   2.422
   97    HN2  NH2  17           2H       NH2  17   4.748  -0.543   3.409
  Start of MODEL   15
    1    H1   GLY   1           H1       GLY   1  -5.626   7.192  -4.230
    2    H2   GLY   1           H2       GLY   1  -6.189   6.163  -3.020
    3    H3   GLY   1           H3       GLY   1  -5.733   5.530  -4.524
    4    HA2  GLY   1           HA2      GLY   1  -3.464   6.175  -4.128
    5    HA3  GLY   1           HA3      GLY   1  -3.936   6.803  -2.556
    6    H    CYS   2           H        CYS   2  -2.097   4.565  -3.386
    7    HA   CYS   2           HA       CYS   2  -3.336   2.166  -2.882
    8    HB2  CYS   2           HB3      CYS   2  -0.683   3.145  -3.167
    9    HB3  CYS   2           HB2      CYS   2  -0.842   1.533  -2.473
   10    H    CYS   3           H        CYS   3  -2.221   4.493  -0.744
   11    HA   CYS   3           HA       CYS   3  -1.685   2.792   1.394
   12    HB2  CYS   3           HB3      CYS   3  -2.457   5.652   1.220
   13    HB3  CYS   3           HB2      CYS   3  -2.282   4.862   2.765
   14    H    SER   4           H        SER   4  -4.523   4.181   0.222
   15    HA   SER   4           HA       SER   4  -6.255   3.113   2.312
   16    HB2  SER   4           HB3      SER   4  -7.001   4.356  -0.353
   17    HB3  SER   4           HB2      SER   4  -8.071   4.094   1.026
   18    HG   SER   4           HG       SER   4  -5.952   5.409   1.867
   19    H    HIS   5           H        HIS   5  -4.561   1.494   0.287
   20    HA   HIS   5           HA       HIS   5  -6.599  -0.457  -0.529
   21    HB2  HIS   5           HB3      HIS   5  -4.355   0.770  -2.005
   22    HB3  HIS   5           HB2      HIS   5  -4.819  -0.859  -2.451
   23    HD1  HIS   5           HD1      HIS   5  -6.864  -1.066  -4.008
   24    HD2  HIS   5           HD2      HIS   5  -6.336   2.765  -2.497
   25    HE1  HIS   5           HE1      HIS   5  -8.478   0.394  -5.265
   26    HA   PRO   6           HA       PRO   6  -3.686  -2.433   2.469
   27    HB2  PRO   6           HB2      PRO   6  -5.581  -4.651   1.833
   28    HB3  PRO   6           HB3      PRO   6  -4.933  -4.135   3.396
   29    HG2  PRO   6           HG3      PRO   6  -7.404  -3.480   2.721
   30    HG3  PRO   6           HG2      PRO   6  -6.354  -2.308   3.538
   31    HD2  PRO   6           HD3      PRO   6  -7.166  -2.444   0.668
   32    HD3  PRO   6           HD2      PRO   6  -6.895  -1.026   1.698
   33    H    ALA   7           H        ALA   7  -4.932  -4.206  -0.356
   34    HA   ALA   7           HA       ALA   7  -2.742  -5.977  -0.501
   35    HB1  ALA   7           HB1      ALA   7  -3.582  -6.651  -2.663
   36    HB2  ALA   7           HB2      ALA   7  -4.597  -5.216  -2.750
   37    HB3  ALA   7           HB3      ALA   7  -4.928  -6.457  -1.540
   38    H    CYS   8           H        CYS   8  -3.236  -2.801  -1.864
   39    HA   CYS   8           HA       CYS   8  -0.867  -3.040  -3.547
   40    HB2  CYS   8           HB3      CYS   8  -2.874  -1.584  -4.184
   41    HB3  CYS   8           HB2      CYS   8  -2.387  -0.516  -2.869
   42    H    ASN   9           H        ASN   9  -1.657  -2.170  -0.394
   43    HA   ASN   9           HA       ASN   9   0.449  -0.276   0.001
   44    HB2  ASN   9           HB3      ASN   9  -1.848  -0.335   1.120
   45    HB3  ASN   9           HB2      ASN   9  -1.212  -1.692   2.002
   46   HD21  ASN   9          HD22      ASN   9  -2.155   0.958   2.807
   47   HD22  ASN   9          HD21      ASN   9  -0.913   1.604   3.817
   48    H    VAL  10           H        VAL  10  -0.331  -3.482   1.038
   49    HA   VAL  10           HA       VAL  10   1.741  -3.910   2.800
   50    HB   VAL  10           HB       VAL  10  -0.210  -5.362   2.725
   51   HG11  VAL  10          HG11      VAL  10  -0.541  -5.570   0.355
   52   HG12  VAL  10          HG12      VAL  10  -0.423  -7.167   1.098
   53   HG13  VAL  10          HG13      VAL  10   0.948  -6.504   0.204
   54   HG21  VAL  10          HG21      VAL  10   0.889  -7.519   3.112
   55   HG22  VAL  10          HG22      VAL  10   1.770  -6.191   3.867
   56   HG23  VAL  10          HG23      VAL  10   2.360  -6.895   2.362
   57    H    ASP  11           H        ASP  11   1.898  -4.432  -0.726
   58    HA   ASP  11           HA       ASP  11   4.640  -5.286  -0.222
   59    HB2  ASP  11           HB3      ASP  11   4.784  -6.337  -2.339
   60    HB3  ASP  11           HB2      ASP  11   3.194  -6.747  -1.727
   61    H    HIS  12           H        HIS  12   3.277  -2.432  -0.553
   62    HA   HIS  12           HA       HIS  12   5.521  -1.410  -2.085
   63    HB2  HIS  12           HB3      HIS  12   2.748  -0.488  -1.813
   64    HB3  HIS  12           HB2      HIS  12   4.023   0.644  -2.200
   65    HD1  HIS  12           HD1      HIS  12   5.520  -1.138  -4.342
   66    HD2  HIS  12           HD2      HIS  12   1.415  -0.646  -4.050
   67    HE1  HIS  12           HE1      HIS  12   4.634  -1.542  -6.642
   68    HA   PRO  13           HA       PRO  13   5.923   0.234   2.227
   69    HB2  PRO  13           HB2      PRO  13   8.777  -0.381   1.862
   70    HB3  PRO  13           HB3      PRO  13   7.701  -0.898   3.167
   71    HG2  PRO  13           HG3      PRO  13   8.603  -2.641   1.344
   72    HG3  PRO  13           HG2      PRO  13   6.955  -2.750   1.983
   73    HD2  PRO  13           HD3      PRO  13   7.887  -1.548  -0.607
   74    HD3  PRO  13           HD2      PRO  13   6.533  -2.665  -0.312
   75    H    GLU  14           H        GLU  14   7.482   0.657  -0.752
   76    HA   GLU  14           HA       GLU  14   8.877   3.062  -0.256
   77    HB2  GLU  14           HB3      GLU  14   9.167   3.079  -2.641
   78    HB3  GLU  14           HB2      GLU  14   9.498   1.470  -2.021
   79    HG2  GLU  14           HG3      GLU  14   7.258   0.755  -2.779
   80    HG3  GLU  14           HG2      GLU  14   6.987   2.378  -3.410
   81    H    ILE  15           H        ILE  15   5.608   2.222  -0.995
   82    HA   ILE  15           HA       ILE  15   4.994   4.966  -1.812
   83    HB   ILE  15           HB       ILE  15   3.187   2.522  -1.897
   84   HG12  ILE  15          HG13      ILE  15   4.970   2.282  -3.550
   85   HG13  ILE  15          HG12      ILE  15   3.445   2.606  -4.351
   86   HG21  ILE  15          HG21      ILE  15   1.902   4.561  -1.646
   87   HG22  ILE  15          HG22      ILE  15   1.676   3.892  -3.262
   88   HG23  ILE  15          HG23      ILE  15   2.736   5.280  -3.022
   89   HD11  ILE  15          HD11      ILE  15   4.111   4.947  -4.667
   90   HD12  ILE  15          HD12      ILE  15   5.252   3.825  -5.409
   91   HD13  ILE  15          HD13      ILE  15   5.652   4.601  -3.880
   92    H    CYS  16           H        CYS  16   3.932   2.430   0.346
   93    HA   CYS  16           HA       CYS  16   3.068   4.470   2.213
   94    HB2  CYS  16           2HB      CYS  16   1.801   1.891   1.553
   95    HB3  CYS  16           1HB      CYS  16   1.237   2.981   2.816
   96    HN1  NH2  17           1H       NH2  17   2.932   0.954   2.591
   97    HN2  NH2  17           2H       NH2  17   4.191   0.863   3.764
  Start of MODEL   16
    1    H1   GLY   1           H1       GLY   1  -4.709   7.516  -3.793
    2    H2   GLY   1           H2       GLY   1  -4.237   6.760  -2.372
    3    H3   GLY   1           H3       GLY   1  -5.642   6.261  -3.135
    4    HA2  GLY   1           HA2      GLY   1  -4.346   5.483  -5.022
    5    HA3  GLY   1           HA3      GLY   1  -2.894   5.947  -4.143
    6    H    CYS   2           H        CYS   2  -2.152   3.813  -4.161
    7    HA   CYS   2           HA       CYS   2  -3.628   1.641  -3.312
    8    HB2  CYS   2           HB3      CYS   2  -0.933   2.260  -3.935
    9    HB3  CYS   2           HB2      CYS   2  -1.152   0.777  -3.007
   10    H    CYS   3           H        CYS   3  -2.014   3.981  -1.502
   11    HA   CYS   3           HA       CYS   3  -1.523   2.389   0.720
   12    HB2  CYS   3           HB3      CYS   3  -1.773   5.303   0.288
   13    HB3  CYS   3           HB2      CYS   3  -1.723   4.682   1.926
   14    H    SER   4           H        SER   4  -4.276   4.022  -0.303
   15    HA   SER   4           HA       SER   4  -5.875   3.430   2.043
   16    HB2  SER   4           HB3      SER   4  -6.772   4.304  -0.713
   17    HB3  SER   4           HB2      SER   4  -7.715   4.402   0.774
   18    HG   SER   4           HG       SER   4  -6.762   6.186   1.225
   19    H    HIS   5           H        HIS   5  -4.569   1.370   0.060
   20    HA   HIS   5           HA       HIS   5  -6.872  -0.434  -0.125
   21    HB2  HIS   5           HB3      HIS   5  -4.639   0.113  -2.017
   22    HB3  HIS   5           HB2      HIS   5  -5.446  -1.452  -2.055
   23    HD1  HIS   5           HD1      HIS   5  -7.748  -1.535  -3.199
   24    HD2  HIS   5           HD2      HIS   5  -6.238   2.316  -2.805
   25    HE1  HIS   5           HE1      HIS   5  -9.246  -0.067  -4.585
   26    HA   PRO   6           HA       PRO   6  -4.345  -2.401   3.023
   27    HB2  PRO   6           HB2      PRO   6  -6.071  -4.698   2.236
   28    HB3  PRO   6           HB3      PRO   6  -5.678  -4.096   3.852
   29    HG2  PRO   6           HG3      PRO   6  -8.036  -3.550   2.787
   30    HG3  PRO   6           HG2      PRO   6  -7.150  -2.300   3.678
   31    HD2  PRO   6           HD3      PRO   6  -7.509  -2.629   0.732
   32    HD3  PRO   6           HD2      PRO   6  -7.455  -1.146   1.708
   33    H    ALA   7           H        ALA   7  -5.085  -4.347   0.123
   34    HA   ALA   7           HA       ALA   7  -2.770  -5.972   0.499
   35    HB1  ALA   7           HB1      ALA   7  -3.348  -7.089  -1.535
   36    HB2  ALA   7           HB2      ALA   7  -4.441  -5.797  -2.001
   37    HB3  ALA   7           HB3      ALA   7  -4.823  -6.814  -0.612
   38    H    CYS   8           H        CYS   8  -3.456  -3.158  -1.484
   39    HA   CYS   8           HA       CYS   8  -1.032  -3.489  -3.043
   40    HB2  CYS   8           HB3      CYS   8  -3.279  -2.346  -3.767
   41    HB3  CYS   8           HB2      CYS   8  -2.664  -0.970  -2.861
   42    H    ASN   9           H        ASN   9  -2.019  -2.024  -0.166
   43    HA   ASN   9           HA       ASN   9  -0.164   0.004   0.307
   44    HB2  ASN   9           HB3      ASN   9  -2.212  -0.649   1.641
   45    HB3  ASN   9           HB2      ASN   9  -1.249  -1.980   2.227
   46   HD21  ASN   9          HD22      ASN   9  -1.813   1.354   2.421
   47   HD22  ASN   9          HD21      ASN   9  -0.816   1.701   3.779
   48    H    VAL  10           H        VAL  10  -0.149  -3.383   0.906
   49    HA   VAL  10           HA       VAL  10   2.240  -3.555   2.393
   50    HB   VAL  10           HB       VAL  10   0.896  -5.730   0.822
   51   HG11  VAL  10          HG11      VAL  10   3.149  -6.366   1.449
   52   HG12  VAL  10          HG12      VAL  10   1.995  -7.266   2.438
   53   HG13  VAL  10          HG13      VAL  10   2.852  -5.885   3.117
   54   HG21  VAL  10          HG21      VAL  10   0.522  -4.923   3.700
   55   HG22  VAL  10          HG22      VAL  10  -0.195  -6.343   2.941
   56   HG23  VAL  10          HG23      VAL  10  -0.651  -4.728   2.398
   57    H    ASP  11           H        ASP  11   1.592  -3.975  -1.092
   58    HA   ASP  11           HA       ASP  11   4.342  -4.752  -1.426
   59    HB2  ASP  11           HB3      ASP  11   3.878  -5.274  -3.733
   60    HB3  ASP  11           HB2      ASP  11   2.628  -5.955  -2.715
   61    H    HIS  12           H        HIS  12   3.081  -1.851  -1.027
   62    HA   HIS  12           HA       HIS  12   5.124  -0.632  -2.704
   63    HB2  HIS  12           HB3      HIS  12   2.596   0.381  -1.538
   64    HB3  HIS  12           HB2      HIS  12   3.881   1.475  -2.003
   65    HD1  HIS  12           HD1      HIS  12   4.171   1.856  -4.621
   66    HD2  HIS  12           HD2      HIS  12   1.158  -0.796  -3.565
   67    HE1  HIS  12           HE1      HIS  12   2.769   1.566  -6.680
   68    HA   PRO  13           HA       PRO  13   6.532  -0.657   1.761
   69    HB2  PRO  13           HB2      PRO  13   9.220  -0.857   0.577
   70    HB3  PRO  13           HB3      PRO  13   8.453  -1.908   1.771
   71    HG2  PRO  13           HG3      PRO  13   8.874  -2.730  -0.743
   72    HG3  PRO  13           HG2      PRO  13   7.423  -3.209   0.155
   73    HD2  PRO  13           HD3      PRO  13   7.733  -1.079  -1.934
   74    HD3  PRO  13           HD2      PRO  13   6.442  -2.284  -1.739
   75    H    GLU  14           H        GLU  14   7.796   1.011  -0.936
   76    HA   GLU  14           HA       GLU  14   9.127   3.027   0.548
   77    HB2  GLU  14           HB3      GLU  14   9.466   4.001  -1.663
   78    HB3  GLU  14           HB2      GLU  14  10.014   2.333  -1.560
   79    HG2  GLU  14           HG3      GLU  14   7.919   1.638  -2.684
   80    HG3  GLU  14           HG2      GLU  14   7.473   3.338  -2.815
   81    H    ILE  15           H        ILE  15   5.920   2.562  -0.600
   82    HA   ILE  15           HA       ILE  15   5.387   5.453  -0.474
   83    HB   ILE  15           HB       ILE  15   3.508   3.284  -1.449
   84   HG12  ILE  15          HG13      ILE  15   5.445   3.363  -2.948
   85   HG13  ILE  15          HG12      ILE  15   4.027   4.023  -3.740
   86   HG21  ILE  15          HG21      ILE  15   2.371   5.271  -0.706
   87   HG22  ILE  15          HG22      ILE  15   2.271   5.138  -2.464
   88   HG23  ILE  15          HG23      ILE  15   3.406   6.266  -1.728
   89   HD11  ILE  15          HD11      ILE  15   6.008   5.335  -4.241
   90   HD12  ILE  15          HD12      ILE  15   6.266   5.623  -2.521
   91   HD13  ILE  15          HD13      ILE  15   4.840   6.285  -3.321
   92    H    CYS  16           H        CYS  16   3.953   2.429   0.456
   93    HA   CYS  16           HA       CYS  16   2.477   3.765   2.563
   94    HB2  CYS  16           2HB      CYS  16   2.270   1.014   1.516
   95    HB3  CYS  16           1HB      CYS  16   1.112   1.785   2.593
   96    HN1  NH2  17           1H       NH2  17   3.910   0.523   2.283
   97    HN2  NH2  17           2H       NH2  17   4.686   0.566   3.828
  Start of MODEL   17
    1    H1   GLY   1           H1       GLY   1  -5.094   6.384  -2.656
    2    H2   GLY   1           H2       GLY   1  -6.468   5.531  -3.111
    3    H3   GLY   1           H3       GLY   1  -5.897   6.796  -4.080
    4    HA2  GLY   1           HA2      GLY   1  -5.350   4.692  -5.038
    5    HA3  GLY   1           HA3      GLY   1  -3.906   5.574  -4.557
    6    H    CYS   2           H        CYS   2  -2.685   3.673  -4.418
    7    HA   CYS   2           HA       CYS   2  -3.499   1.384  -3.225
    8    HB2  CYS   2           HB3      CYS   2  -1.036   2.508  -4.124
    9    HB3  CYS   2           HB2      CYS   2  -0.946   1.012  -3.191
   10    H    CYS   3           H        CYS   3  -2.217   4.124  -1.705
   11    HA   CYS   3           HA       CYS   3  -1.234   2.710   0.513
   12    HB2  CYS   3           HB3      CYS   3  -1.885   5.577   0.073
   13    HB3  CYS   3           HB2      CYS   3  -1.387   4.971   1.629
   14    H    SER   4           H        SER   4  -4.200   4.125  -0.213
   15    HA   SER   4           HA       SER   4  -5.340   3.509   2.388
   16    HB2  SER   4           HB3      SER   4  -6.156   5.481   1.138
   17    HB3  SER   4           HB2      SER   4  -6.722   4.427  -0.157
   18    HG   SER   4           HG       SER   4  -7.863   3.402   1.814
   19    H    HIS   5           H        HIS   5  -4.417   1.631  -0.052
   20    HA   HIS   5           HA       HIS   5  -6.678  -0.228   0.061
   21    HB2  HIS   5           HB3      HIS   5  -4.557   0.353  -1.926
   22    HB3  HIS   5           HB2      HIS   5  -5.465  -1.153  -2.037
   23    HD1  HIS   5           HD1      HIS   5  -6.094   0.140  -4.472
   24    HD2  HIS   5           HD2      HIS   5  -7.846   1.531  -0.980
   25    HE1  HIS   5           HE1      HIS   5  -8.092   1.487  -5.197
   26    HA   PRO   6           HA       PRO   6  -3.939  -2.275   2.947
   27    HB2  PRO   6           HB2      PRO   6  -5.710  -4.580   2.379
   28    HB3  PRO   6           HB3      PRO   6  -5.237  -3.885   3.930
   29    HG2  PRO   6           HG3      PRO   6  -7.668  -3.458   2.921
   30    HG3  PRO   6           HG2      PRO   6  -6.799  -2.187   3.795
   31    HD2  PRO   6           HD3      PRO   6  -7.264  -2.497   0.870
   32    HD3  PRO   6           HD2      PRO   6  -7.170  -1.024   1.860
   33    H    ALA   7           H        ALA   7  -4.929  -4.222   0.113
   34    HA   ALA   7           HA       ALA   7  -2.608  -5.869   0.390
   35    HB1  ALA   7           HB1      ALA   7  -4.700  -6.793  -0.526
   36    HB2  ALA   7           HB2      ALA   7  -3.322  -7.043  -1.591
   37    HB3  ALA   7           HB3      ALA   7  -4.499  -5.788  -1.959
   38    H    CYS   8           H        CYS   8  -3.364  -3.069  -1.535
   39    HA   CYS   8           HA       CYS   8  -1.005  -3.437  -3.189
   40    HB2  CYS   8           HB3      CYS   8  -3.202  -2.234  -3.891
   41    HB3  CYS   8           HB2      CYS   8  -2.579  -0.885  -2.939
   42    H    ASN   9           H        ASN   9  -1.857  -1.981  -0.254
   43    HA   ASN   9           HA       ASN   9   0.184  -0.079   0.129
   44    HB2  ASN   9           HB3      ASN   9  -1.910  -0.512   1.511
   45    HB3  ASN   9           HB2      ASN   9  -1.046  -1.890   2.141
   46   HD21  ASN   9          HD22      ASN   9  -1.415   1.470   2.264
   47   HD22  ASN   9          HD21      ASN   9  -0.324   1.779   3.572
   48    H    VAL  10           H        VAL  10  -0.147  -3.449   0.753
   49    HA   VAL  10           HA       VAL  10   2.276  -3.958   2.096
   50    HB   VAL  10           HB       VAL  10   0.645  -5.856   0.429
   51   HG11  VAL  10          HG11      VAL  10   2.893  -6.755   0.793
   52   HG12  VAL  10          HG12      VAL  10   1.719  -7.661   1.749
   53   HG13  VAL  10          HG13      VAL  10   2.747  -6.456   2.525
   54   HG21  VAL  10          HG21      VAL  10  -0.632  -4.886   2.234
   55   HG22  VAL  10          HG22      VAL  10   0.622  -5.333   3.391
   56   HG23  VAL  10          HG23      VAL  10  -0.304  -6.586   2.563
   57    H    ASP  11           H        ASP  11   1.526  -3.890  -1.370
   58    HA   ASP  11           HA       ASP  11   4.236  -4.743  -1.875
   59    HB2  ASP  11           HB3      ASP  11   3.728  -4.852  -4.243
   60    HB3  ASP  11           HB2      ASP  11   2.460  -5.669  -3.347
   61    H    HIS  12           H        HIS  12   2.938  -1.969  -1.017
   62    HA   HIS  12           HA       HIS  12   4.940  -0.378  -2.458
   63    HB2  HIS  12           HB3      HIS  12   2.288   0.194  -1.279
   64    HB3  HIS  12           HB2      HIS  12   3.454   1.465  -1.483
   65    HD1  HIS  12           HD1      HIS  12   2.676  -1.242  -4.114
   66    HD2  HIS  12           HD2      HIS  12   2.117   2.807  -3.391
   67    HE1  HIS  12           HE1      HIS  12   1.896  -0.292  -6.244
   68    HA   PRO  13           HA       PRO  13   5.846  -0.593   2.167
   69    HB2  PRO  13           HB2      PRO  13   8.363  -1.548   2.150
   70    HB3  PRO  13           HB3      PRO  13   6.963  -2.619   2.016
   71    HG2  PRO  13           HG3      PRO  13   8.802  -1.630  -0.118
   72    HG3  PRO  13           HG2      PRO  13   8.076  -3.234   0.081
   73    HD2  PRO  13           HD3      PRO  13   7.126  -1.274  -1.631
   74    HD3  PRO  13           HD2      PRO  13   6.151  -2.614  -0.995
   75    H    GLU  14           H        GLU  14   7.432   0.731  -0.497
   76    HA   GLU  14           HA       GLU  14   8.971   2.577   1.087
   77    HB2  GLU  14           HB3      GLU  14   9.915   3.136  -1.101
   78    HB3  GLU  14           HB2      GLU  14  10.220   1.475  -0.590
   79    HG2  GLU  14           HG3      GLU  14   8.427   0.750  -2.129
   80    HG3  GLU  14           HG2      GLU  14   8.200   2.428  -2.625
   81    H    ILE  15           H        ILE  15   5.921   2.418  -0.060
   82    HA   ILE  15           HA       ILE  15   5.850   5.298  -0.760
   83    HB   ILE  15           HB       ILE  15   3.686   3.295  -1.412
   84   HG12  ILE  15          HG13      ILE  15   5.746   2.659  -2.644
   85   HG13  ILE  15          HG12      ILE  15   4.470   3.210  -3.719
   86   HG21  ILE  15          HG21      ILE  15   2.930   5.573  -1.311
   87   HG22  ILE  15          HG22      ILE  15   2.895   5.000  -2.977
   88   HG23  ILE  15          HG23      ILE  15   4.188   6.072  -2.443
   89   HD11  ILE  15          HD11      ILE  15   6.606   4.051  -4.409
   90   HD12  ILE  15          HD12      ILE  15   6.853   4.779  -2.816
   91   HD13  ILE  15          HD13      ILE  15   5.563   5.376  -3.870
   92    H    CYS  16           H        CYS  16   4.036   2.675   0.634
   93    HA   CYS  16           HA       CYS  16   2.501   4.550   2.233
   94    HB2  CYS  16           2HB      CYS  16   2.059   1.695   1.658
   95    HB3  CYS  16           1HB      CYS  16   0.873   2.816   2.316
   96    HN1  NH2  17           1H       NH2  17   3.884   4.828   3.954
   97    HN2  NH2  17           2H       NH2  17   4.387   3.549   5.007
  Start of MODEL   18
    1    H1   GLY   1           H1       GLY   1  -4.482   6.629  -5.555
    2    H2   GLY   1           H2       GLY   1  -5.558   5.522  -4.846
    3    H3   GLY   1           H3       GLY   1  -4.350   4.987  -5.907
    4    HA2  GLY   1           HA2      GLY   1  -2.654   5.663  -4.384
    5    HA3  GLY   1           HA3      GLY   1  -3.909   6.260  -3.306
    6    H    CYS   2           H        CYS   2  -2.020   3.615  -4.198
    7    HA   CYS   2           HA       CYS   2  -3.631   1.511  -3.460
    8    HB2  CYS   2           HB3      CYS   2  -0.885   2.015  -3.996
    9    HB3  CYS   2           HB2      CYS   2  -1.193   0.529  -3.097
   10    H    CYS   3           H        CYS   3  -1.948   3.723  -1.559
   11    HA   CYS   3           HA       CYS   3  -1.623   2.047   0.633
   12    HB2  CYS   3           HB3      CYS   3  -1.477   4.960   0.226
   13    HB3  CYS   3           HB2      CYS   3  -1.566   4.324   1.860
   14    H    SER   4           H        SER   4  -4.199   3.946  -0.379
   15    HA   SER   4           HA       SER   4  -5.808   3.674   1.982
   16    HB2  SER   4           HB3      SER   4  -6.760   4.084  -0.865
   17    HB3  SER   4           HB2      SER   4  -7.649   4.474   0.608
   18    HG   SER   4           HG       SER   4  -6.167   6.042   1.084
   19    H    HIS   5           H        HIS   5  -4.677   1.344   0.005
   20    HA   HIS   5           HA       HIS   5  -6.952  -0.484   0.336
   21    HB2  HIS   5           HB3      HIS   5  -4.944  -0.221  -1.873
   22    HB3  HIS   5           HB2      HIS   5  -6.040  -1.598  -1.750
   23    HD1  HIS   5           HD1      HIS   5  -8.404  -1.237  -2.701
   24    HD2  HIS   5           HD2      HIS   5  -6.144   2.243  -2.575
   25    HE1  HIS   5           HE1      HIS   5  -9.701   0.465  -4.022
   26    HA   PRO   6           HA       PRO   6  -3.537  -2.140   2.978
   27    HB2  PRO   6           HB2      PRO   6  -4.961  -4.499   3.518
   28    HB3  PRO   6           HB3      PRO   6  -4.925  -3.048   4.521
   29    HG2  PRO   6           HG3      PRO   6  -6.946  -3.920   2.518
   30    HG3  PRO   6           HG2      PRO   6  -7.171  -3.057   4.046
   31    HD2  PRO   6           HD3      PRO   6  -7.357  -1.792   1.723
   32    HD3  PRO   6           HD2      PRO   6  -6.595  -0.996   3.112
   33    H    ALA   7           H        ALA   7  -5.218  -3.993   0.482
   34    HA   ALA   7           HA       ALA   7  -3.302  -6.069   0.340
   35    HB1  ALA   7           HB1      ALA   7  -5.603  -6.339  -0.467
   36    HB2  ALA   7           HB2      ALA   7  -4.415  -6.735  -1.707
   37    HB3  ALA   7           HB3      ALA   7  -5.270  -5.194  -1.766
   38    H    CYS   8           H        CYS   8  -3.557  -2.943  -1.213
   39    HA   CYS   8           HA       CYS   8  -1.302  -3.599  -2.998
   40    HB2  CYS   8           HB3      CYS   8  -3.493  -2.360  -3.732
   41    HB3  CYS   8           HB2      CYS   8  -2.760  -0.983  -2.913
   42    H    ASN   9           H        ASN   9  -2.066  -2.041  -0.123
   43    HA   ASN   9           HA       ASN   9  -0.205   0.011   0.159
   44    HB2  ASN   9           HB3      ASN   9  -2.135  -0.647   1.671
   45    HB3  ASN   9           HB2      ASN   9  -1.059  -1.899   2.264
   46   HD21  ASN   9          HD22      ASN   9  -1.883   1.366   2.404
   47   HD22  ASN   9          HD21      ASN   9  -0.744   1.848   3.612
   48    H    VAL  10           H        VAL  10  -0.056  -3.346   0.928
   49    HA   VAL  10           HA       VAL  10   2.496  -3.326   2.131
   50    HB   VAL  10           HB       VAL  10   0.830  -5.056   2.646
   51   HG11  VAL  10          HG11      VAL  10   0.439  -6.954   1.155
   52   HG12  VAL  10          HG12      VAL  10   1.366  -6.135  -0.104
   53   HG13  VAL  10          HG13      VAL  10  -0.140  -5.429   0.481
   54   HG21  VAL  10          HG21      VAL  10   3.407  -6.197   1.561
   55   HG22  VAL  10          HG22      VAL  10   2.327  -7.016   2.690
   56   HG23  VAL  10          HG23      VAL  10   3.154  -5.535   3.175
   57    H    ASP  11           H        ASP  11   1.544  -3.703  -1.249
   58    HA   ASP  11           HA       ASP  11   4.272  -4.445  -1.785
   59    HB2  ASP  11           HB3      ASP  11   3.648  -4.885  -4.142
   60    HB3  ASP  11           HB2      ASP  11   2.707  -5.824  -3.008
   61    H    HIS  12           H        HIS  12   2.903  -1.656  -1.202
   62    HA   HIS  12           HA       HIS  12   4.917  -0.300  -2.799
   63    HB2  HIS  12           HB3      HIS  12   2.324   0.577  -1.667
   64    HB3  HIS  12           HB2      HIS  12   3.562   1.738  -2.082
   65    HD1  HIS  12           HD1      HIS  12   3.738   2.343  -4.627
   66    HD2  HIS  12           HD2      HIS  12   1.118  -0.775  -3.793
   67    HE1  HIS  12           HE1      HIS  12   2.473   1.928  -6.746
   68    HA   PRO  13           HA       PRO  13   5.991  -0.246   1.770
   69    HB2  PRO  13           HB2      PRO  13   8.668  -1.114   1.044
   70    HB3  PRO  13           HB3      PRO  13   7.490  -1.930   2.075
   71    HG2  PRO  13           HG3      PRO  13   8.198  -2.897  -0.346
   72    HG3  PRO  13           HG2      PRO  13   6.572  -3.105   0.326
   73    HD2  PRO  13           HD3      PRO  13   7.535  -1.087  -1.683
   74    HD3  PRO  13           HD2      PRO  13   6.069  -2.096  -1.720
   75    H    GLU  14           H        GLU  14   7.289   1.086  -1.014
   76    HA   GLU  14           HA       GLU  14   9.122   2.850   0.230
   77    HB2  GLU  14           HB3      GLU  14   9.066   3.888  -2.047
   78    HB3  GLU  14           HB2      GLU  14   9.635   2.224  -1.977
   79    HG2  GLU  14           HG3      GLU  14   7.445   1.476  -2.775
   80    HG3  GLU  14           HG2      GLU  14   6.896   3.154  -2.818
   81    H    ILE  15           H        ILE  15   5.758   2.778  -0.362
   82    HA   ILE  15           HA       ILE  15   5.571   5.647   0.215
   83    HB   ILE  15           HB       ILE  15   3.309   3.812  -0.656
   84   HG12  ILE  15          HG13      ILE  15   4.969   5.720  -2.340
   85   HG13  ILE  15          HG12      ILE  15   4.979   3.959  -2.435
   86   HG21  ILE  15          HG21      ILE  15   2.144   5.928  -1.130
   87   HG22  ILE  15          HG22      ILE  15   3.540   6.827  -0.535
   88   HG23  ILE  15          HG23      ILE  15   2.610   5.810   0.567
   89   HD11  ILE  15          HD11      ILE  15   2.610   5.708  -3.033
   90   HD12  ILE  15          HD12      ILE  15   2.693   3.957  -3.213
   91   HD13  ILE  15          HD13      ILE  15   3.685   5.002  -4.237
   92    H    CYS  16           H        CYS  16   4.106   2.574   1.011
   93    HA   CYS  16           HA       CYS  16   3.842   3.534   3.718
   94    HB2  CYS  16           2HB      CYS  16   2.054   1.830   2.116
   95    HB3  CYS  16           1HB      CYS  16   1.861   1.989   3.860
   96    HN1  NH2  17           1H       NH2  17   3.061   0.252   2.734
   97    HN2  NH2  17           2H       NH2  17   4.451  -0.473   3.446
  Start of MODEL   19
    1    H1   GLY   1           H1       GLY   1  -5.595   5.650  -2.932
    2    H2   GLY   1           H2       GLY   1  -6.474   4.881  -4.148
    3    H3   GLY   1           H3       GLY   1  -5.766   6.378  -4.446
    4    HA2  GLY   1           HA2      GLY   1  -4.516   4.584  -5.469
    5    HA3  GLY   1           HA3      GLY   1  -3.571   5.396  -4.227
    6    H    CYS   2           H        CYS   2  -2.506   3.081  -4.531
    7    HA   CYS   2           HA       CYS   2  -3.951   0.979  -3.402
    8    HB2  CYS   2           HB3      CYS   2  -1.339   1.416  -4.469
    9    HB3  CYS   2           HB2      CYS   2  -1.486   0.018  -3.403
   10    H    CYS   3           H        CYS   3  -1.951   3.371  -2.120
   11    HA   CYS   3           HA       CYS   3  -1.564   2.038   0.349
   12    HB2  CYS   3           HB3      CYS   3  -1.063   4.744  -0.677
   13    HB3  CYS   3           HB2      CYS   3  -1.276   4.564   1.056
   14    H    SER   4           H        SER   4  -4.011   3.908  -0.993
   15    HA   SER   4           HA       SER   4  -5.553   4.400   1.363
   16    HB2  SER   4           HB3      SER   4  -6.717   3.886  -1.381
   17    HB3  SER   4           HB2      SER   4  -7.337   4.950  -0.118
   18    HG   SER   4           HG       SER   4  -5.600   6.321  -0.463
   19    H    HIS   5           H        HIS   5  -4.970   1.707  -0.675
   20    HA   HIS   5           HA       HIS   5  -7.112   0.041   0.349
   21    HB2  HIS   5           HB3      HIS   5  -4.962  -0.375  -1.732
   22    HB3  HIS   5           HB2      HIS   5  -6.048  -1.648  -1.193
   23    HD1  HIS   5           HD1      HIS   5  -5.755   0.438  -4.019
   24    HD2  HIS   5           HD2      HIS   5  -8.864  -0.463  -1.412
   25    HE1  HIS   5           HE1      HIS   5  -7.869   0.885  -5.281
   26    HA   PRO   6           HA       PRO   6  -4.294  -1.894   3.214
   27    HB2  PRO   6           HB2      PRO   6  -5.578  -4.204   3.735
   28    HB3  PRO   6           HB3      PRO   6  -6.184  -2.644   4.288
   29    HG2  PRO   6           HG3      PRO   6  -7.137  -4.347   2.051
   30    HG3  PRO   6           HG2      PRO   6  -8.048  -3.253   3.100
   31    HD2  PRO   6           HD3      PRO   6  -7.174  -2.719   0.489
   32    HD3  PRO   6           HD2      PRO   6  -7.780  -1.531   1.657
   33    H    ALA   7           H        ALA   7  -5.351  -4.257   0.729
   34    HA   ALA   7           HA       ALA   7  -3.015  -5.828   1.189
   35    HB1  ALA   7           HB1      ALA   7  -3.763  -7.289  -0.570
   36    HB2  ALA   7           HB2      ALA   7  -4.918  -6.090  -1.131
   37    HB3  ALA   7           HB3      ALA   7  -5.138  -6.855   0.442
   38    H    CYS   8           H        CYS   8  -3.910  -3.466  -1.192
   39    HA   CYS   8           HA       CYS   8  -1.567  -3.937  -2.838
   40    HB2  CYS   8           HB3      CYS   8  -3.936  -3.079  -3.553
   41    HB3  CYS   8           HB2      CYS   8  -3.342  -1.526  -2.972
   42    H    ASN   9           H        ASN   9  -1.996  -2.601   0.051
   43    HA   ASN   9           HA       ASN   9  -0.561  -0.129  -0.042
   44    HB2  ASN   9           HB3      ASN   9  -2.236  -0.921   1.657
   45    HB3  ASN   9           HB2      ASN   9  -0.993  -2.006   2.225
   46   HD21  ASN   9          HD22      ASN   9  -2.066   1.189   2.054
   47   HD22  ASN   9          HD21      ASN   9  -0.956   1.890   3.182
   48    H    VAL  10           H        VAL  10   0.024  -3.417   0.709
   49    HA   VAL  10           HA       VAL  10   2.559  -3.307   1.816
   50    HB   VAL  10           HB       VAL  10   1.313  -5.580   0.305
   51   HG11  VAL  10          HG11      VAL  10   3.539  -5.617   2.342
   52   HG12  VAL  10          HG12      VAL  10   3.702  -5.942   0.617
   53   HG13  VAL  10          HG13      VAL  10   2.775  -7.043   1.637
   54   HG21  VAL  10          HG21      VAL  10   0.584  -6.388   2.512
   55   HG22  VAL  10          HG22      VAL  10  -0.121  -4.824   2.105
   56   HG23  VAL  10          HG23      VAL  10   1.224  -4.916   3.243
   57    H    ASP  11           H        ASP  11   1.636  -3.467  -1.609
   58    HA   ASP  11           HA       ASP  11   4.386  -3.936  -2.247
   59    HB2  ASP  11           HB3      ASP  11   3.751  -3.986  -4.659
   60    HB3  ASP  11           HB2      ASP  11   2.945  -5.184  -3.670
   61    H    HIS  12           H        HIS  12   3.063  -1.225  -1.292
   62    HA   HIS  12           HA       HIS  12   4.920   0.336  -2.906
   63    HB2  HIS  12           HB3      HIS  12   2.625   1.042  -1.145
   64    HB3  HIS  12           HB2      HIS  12   3.824   2.223  -1.602
   65    HD1  HIS  12           HD1      HIS  12   3.169   3.592  -3.661
   66    HD2  HIS  12           HD2      HIS  12   1.231  -0.094  -3.499
   67    HE1  HIS  12           HE1      HIS  12   1.505   3.607  -5.521
   68    HA   PRO  13           HA       PRO  13   6.703  -0.991   1.212
   69    HB2  PRO  13           HB2      PRO  13   9.301  -0.949  -0.119
   70    HB3  PRO  13           HB3      PRO  13   8.488  -2.292   0.686
   71    HG2  PRO  13           HG3      PRO  13   8.785  -2.213  -1.983
   72    HG3  PRO  13           HG2      PRO  13   7.350  -2.920  -1.229
   73    HD2  PRO  13           HD3      PRO  13   7.690  -0.217  -2.466
   74    HD3  PRO  13           HD2      PRO  13   6.344  -1.371  -2.628
   75    H    GLU  14           H        GLU  14   8.036   1.344  -0.901
   76    HA   GLU  14           HA       GLU  14   9.475   2.691   1.172
   77    HB2  GLU  14           HB3      GLU  14  10.098   4.164  -0.665
   78    HB3  GLU  14           HB2      GLU  14  10.516   2.476  -0.944
   79    HG2  GLU  14           HG3      GLU  14   8.531   2.282  -2.402
   80    HG3  GLU  14           HG2      GLU  14   8.198   3.994  -2.132
   81    H    ILE  15           H        ILE  15   6.309   2.666   0.323
   82    HA   ILE  15           HA       ILE  15   5.967   5.535   0.927
   83    HB   ILE  15           HB       ILE  15   3.916   3.761  -0.417
   84   HG12  ILE  15          HG13      ILE  15   5.841   3.940  -1.933
   85   HG13  ILE  15          HG12      ILE  15   4.478   4.856  -2.558
   86   HG21  ILE  15          HG21      ILE  15   2.834   5.878  -1.033
   87   HG22  ILE  15          HG22      ILE  15   4.081   6.759  -0.152
   88   HG23  ILE  15          HG23      ILE  15   2.983   5.685   0.716
   89   HD11  ILE  15          HD11      ILE  15   6.552   6.057  -2.887
   90   HD12  ILE  15          HD12      ILE  15   6.894   5.979  -1.155
   91   HD13  ILE  15          HD13      ILE  15   5.523   6.921  -1.741
   92    H    CYS  16           H        CYS  16   4.490   2.382   1.244
   93    HA   CYS  16           HA       CYS  16   3.594   3.086   3.909
   94    HB2  CYS  16           2HB      CYS  16   2.240   1.576   1.766
   95    HB3  CYS  16           1HB      CYS  16   1.649   1.647   3.426
   96    HN1  NH2  17           1H       NH2  17   5.370   2.040   4.765
   97    HN2  NH2  17           2H       NH2  17   5.652   0.333   4.655
  Start of MODEL   20
    1    H1   GLY   1           H1       GLY   1  -5.757   5.819  -4.536
    2    H2   GLY   1           H2       GLY   1  -4.623   5.306  -5.681
    3    H3   GLY   1           H3       GLY   1  -4.691   6.936  -5.230
    4    HA2  GLY   1           HA2      GLY   1  -2.810   5.876  -4.177
    5    HA3  GLY   1           HA3      GLY   1  -3.998   6.380  -2.985
    6    H    CYS   2           H        CYS   2  -2.149   3.818  -4.157
    7    HA   CYS   2           HA       CYS   2  -3.713   1.603  -3.514
    8    HB2  CYS   2           HB3      CYS   2  -0.869   2.141  -3.954
    9    HB3  CYS   2           HB2      CYS   2  -1.254   0.663  -3.104
   10    H    CYS   3           H        CYS   3  -2.064   3.841  -1.551
   11    HA   CYS   3           HA       CYS   3  -1.621   2.246   0.717
   12    HB2  CYS   3           HB3      CYS   3  -1.721   5.165   0.164
   13    HB3  CYS   3           HB2      CYS   3  -1.816   4.644   1.840
   14    H    SER   4           H        SER   4  -4.342   4.131  -0.347
   15    HA   SER   4           HA       SER   4  -5.881   3.933   2.014
   16    HB2  SER   4           HB3      SER   4  -6.838   4.196  -0.852
   17    HB3  SER   4           HB2      SER   4  -7.803   4.516   0.589
   18    HG   SER   4           HG       SER   4  -6.120   6.114   1.104
   19    H    HIS   5           H        HIS   5  -4.876   1.669  -0.208
   20    HA   HIS   5           HA       HIS   5  -7.053  -0.208   0.383
   21    HB2  HIS   5           HB3      HIS   5  -4.924  -0.152  -1.756
   22    HB3  HIS   5           HB2      HIS   5  -5.964  -1.548  -1.479
   23    HD1  HIS   5           HD1      HIS   5  -8.453  -1.331  -2.227
   24    HD2  HIS   5           HD2      HIS   5  -6.137   2.038  -2.966
   25    HE1  HIS   5           HE1      HIS   5  -9.811   0.138  -3.775
   26    HA   PRO   6           HA       PRO   6  -4.212  -2.464   2.948
   27    HB2  PRO   6           HB2      PRO   6  -5.522  -4.772   3.232
   28    HB3  PRO   6           HB3      PRO   6  -6.180  -3.263   3.877
   29    HG2  PRO   6           HG3      PRO   6  -6.916  -4.740   1.385
   30    HG3  PRO   6           HG2      PRO   6  -7.967  -3.918   2.551
   31    HD2  PRO   6           HD3      PRO   6  -7.131  -2.845   0.136
   32    HD3  PRO   6           HD2      PRO   6  -7.712  -1.901   1.520
   33    H    ALA   7           H        ALA   7  -5.370  -4.150   0.043
   34    HA   ALA   7           HA       ALA   7  -3.319  -6.128   0.070
   35    HB1  ALA   7           HB1      ALA   7  -5.499  -6.488  -0.992
   36    HB2  ALA   7           HB2      ALA   7  -4.162  -6.770  -2.107
   37    HB3  ALA   7           HB3      ALA   7  -5.095  -5.278  -2.209
   38    H    CYS   8           H        CYS   8  -3.770  -3.118  -1.780
   39    HA   CYS   8           HA       CYS   8  -1.261  -3.501  -3.166
   40    HB2  CYS   8           HB3      CYS   8  -3.375  -2.391  -4.119
   41    HB3  CYS   8           HB2      CYS   8  -2.896  -0.975  -3.189
   42    H    ASN   9           H        ASN   9  -1.656  -2.880  -0.115
   43    HA   ASN   9           HA       ASN   9  -0.021  -0.490   0.133
   44    HB2  ASN   9           HB3      ASN   9  -2.012  -1.112   1.642
   45    HB3  ASN   9           HB2      ASN   9  -0.898  -2.234   2.397
   46   HD21  ASN   9          HD22      ASN   9  -0.164   0.968   1.126
   47   HD22  ASN   9          HD21      ASN   9   0.285   1.659   2.642
   48    H    VAL  10           H        VAL  10   0.114  -3.856   1.136
   49    HA   VAL  10           HA       VAL  10   2.620  -3.886   2.309
   50    HB   VAL  10           HB       VAL  10   1.437  -6.158   0.737
   51   HG11  VAL  10          HG11      VAL  10   3.323  -6.123   3.088
   52   HG12  VAL  10          HG12      VAL  10   3.755  -6.498   1.420
   53   HG13  VAL  10          HG13      VAL  10   2.669  -7.565   2.311
   54   HG21  VAL  10          HG21      VAL  10   0.352  -6.833   2.824
   55   HG22  VAL  10          HG22      VAL  10  -0.223  -5.260   2.275
   56   HG23  VAL  10          HG23      VAL  10   0.936  -5.362   3.601
   57    H    ASP  11           H        ASP  11   1.801  -4.343  -1.119
   58    HA   ASP  11           HA       ASP  11   4.504  -4.947  -1.842
   59    HB2  ASP  11           HB3      ASP  11   3.653  -4.720  -4.193
   60    HB3  ASP  11           HB2      ASP  11   2.783  -5.889  -3.204
   61    H    HIS  12           H        HIS  12   3.253  -2.148  -0.815
   62    HA   HIS  12           HA       HIS  12   5.016  -0.548  -2.536
   63    HB2  HIS  12           HB3      HIS  12   2.312  -0.030  -1.447
   64    HB3  HIS  12           HB2      HIS  12   3.413   1.330  -1.550
   65    HD1  HIS  12           HD1      HIS  12   4.015   2.177  -3.945
   66    HD2  HIS  12           HD2      HIS  12   1.424  -1.068  -3.864
   67    HE1  HIS  12           HE1      HIS  12   3.091   1.949  -6.287
   68    HA   PRO  13           HA       PRO  13   6.586  -0.307   1.834
   69    HB2  PRO  13           HB2      PRO  13   9.135  -1.031   1.359
   70    HB3  PRO  13           HB3      PRO  13   7.850  -2.221   1.601
   71    HG2  PRO  13           HG3      PRO  13   9.097  -1.268  -0.943
   72    HG3  PRO  13           HG2      PRO  13   8.617  -2.908  -0.475
   73    HD2  PRO  13           HD3      PRO  13   7.125  -1.273  -2.098
   74    HD3  PRO  13           HD2      PRO  13   6.446  -2.581  -1.112
   75    H    GLU  14           H        GLU  14   7.282   1.107  -1.151
   76    HA   GLU  14           HA       GLU  14   9.159   3.043  -0.068
   77    HB2  GLU  14           HB3      GLU  14   8.961   3.876  -2.529
   78    HB3  GLU  14           HB2      GLU  14   9.881   2.426  -2.173
   79    HG2  GLU  14           HG3      GLU  14   7.972   1.058  -2.830
   80    HG3  GLU  14           HG2      GLU  14   7.044   2.516  -3.179
   81    H    ILE  15           H        ILE  15   5.878   2.685  -0.146
   82    HA   ILE  15           HA       ILE  15   5.418   5.585  -0.394
   83    HB   ILE  15           HB       ILE  15   3.303   3.447  -0.552
   84   HG12  ILE  15          HG13      ILE  15   4.867   3.127  -2.402
   85   HG13  ILE  15          HG12      ILE  15   3.347   3.782  -2.997
   86   HG21  ILE  15          HG21      ILE  15   1.979   5.250  -1.589
   87   HG22  ILE  15          HG22      ILE  15   3.312   6.367  -1.299
   88   HG23  ILE  15          HG23      ILE  15   2.468   5.630   0.062
   89   HD11  ILE  15          HD11      ILE  15   5.873   5.348  -2.524
   90   HD12  ILE  15          HD12      ILE  15   4.350   5.999  -3.131
   91   HD13  ILE  15          HD13      ILE  15   5.250   4.822  -4.087
   92    H    CYS  16           H        CYS  16   3.722   2.934   1.220
   93    HA   CYS  16           HA       CYS  16   3.532   4.605   3.621
   94    HB2  CYS  16           2HB      CYS  16   1.821   2.419   2.542
   95    HB3  CYS  16           1HB      CYS  16   1.739   2.850   4.240
   96    HN1  NH2  17           1H       NH2  17   3.339   1.099   3.235
   97    HN2  NH2  17           2H       NH2  17   4.565   0.721   4.391