*HEADER   PROTEINASE INHIBITOR (TRYPSIN)          03-AUG-95   1TIH    
*TITLE    TRYPSIN INHIBITOR (T1) FROM NICOTIANA ALATA                 
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: TRYPSIN INHIBITOR T1;                            
*COMPND  3 CHAIN: NULL                                                
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: NICOTIANA ALATA;                      
*SOURCE  3 ORGANISM_COMMON: ORNAMENTAL TOBACCO PLANT;                 
*SOURCE  4 ORGAN: STIGMA                                              
*KEYWDS   SERINE PROTEINASE INHIBITOR, POTATO II TRYPSIN INHIBITOR,   
*KEYWDS  2 NICOTIANA ALATA TRYPSIN INHIBITOR                          
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   K.J.NIELSEN,R.L.HEATH,M.A.ANDERSON,D.J.CRAIK                
*REVDAT  1   15-OCT-95 1TIH    0                                      

! T1 NOE restraints table
! XPLOR FORMAT
!
assign (resid   1 and name HA   ) (resid   2 and name HN   ) 0 0 3.5 ! B
assign (resid   2 and name HA   ) (resid   2 and name HN   ) 0 0 3.5 ! B
assign (resid   2 and name HB1   ) (resid   2 and name HN   ) 0 0 5.0 ! B
assign (resid   2 and name HB2   ) (resid   2 and name HN   ) 0 0 5.0 ! B
assign (resid   2 and name HB1   ) (resid   2 and name HA   ) 0 0 5.0 !C
assign (resid   2 and name HB2   ) (resid   2 and name HA   ) 0 0 5.0 !C
assign (resid   2 and name HG*   ) (resid   2 and name HA   ) 0 0 6.0 !C
assign (resid   2 and name HA   ) (resid   3 and name HN   ) 0 0 5.0 ! B225
assign (resid   3 and name HA   ) (resid   3 and name HN   ) 0 0 3.5 ! B224
assign (resid   3 and name HB   ) (resid   3 and name HA   ) 0 0 3.5 !C
assign (resid   3 and name HB   ) (resid   3 and name HN   ) 0 0 2.7 ! B231
assign (resid   3 and name HG2*   ) (resid   3 and name HN   ) 0 0 5.0 ! B233
assign (resid   3 and name HD1*   ) (resid   3 and name HN   ) 0 0 5.0 ! B234
assign (resid   3 and name HG2*   ) (resid   3 and name HG1*   ) 0 0 6.0 !240
assign (resid   3 and name HG11   ) (resid   3 and name HG12   ) 0 0 1.8 !241
assign (resid   3 and name HA   ) (resid   4 and name HN   ) 0 0 2.7 ! B151
assign (resid   3 and name HB   ) (resid   4 and name HN   ) 0 0 5.0 ! B154b
assign (resid   3 and name HG2*   ) (resid   4 and name HN   ) 0 0 5.5 ! B158
assign (resid   3 and name HD1*   ) (resid   4 and name HN   ) 0 0 5.5 ! B159
assign (resid   4 and name HA   ) (resid   4 and name HN   ) 0 0 3.5 ! B146
assign (resid   4 and name HB2   ) (resid   4 and name HN   ) 0 0 3.5 ! B152
assign (resid   4 and name HB1   ) (resid   4 and name HN   ) 0 0 3.5 ! B153
assign (resid   4 and name HB1   ) (resid   4 and name HA   ) 0 0 3.5 !31
assign (resid   4 and name HB2   ) (resid   4 and name HA   ) 0 0 3.5 !32
assign (resid   4 and name HB1   ) (resid   4 and name HB2   ) 0 0 1.8 !163
assign (resid  41 and name HB1   ) (resid   4 and name HA   ) 0 0 3.5 !
assign (resid  41 and name HB1   ) (resid   5 and name HN   ) 0 0 6.0 ! B
assign (resid  41 and name HB2   ) (resid   5 and name HN   ) 0 0 6.0 ! B
assign (resid  42 and name HN   ) (resid   5 and name HN   ) 0 0 5.0 !
assign (resid   4 and name HA   ) (resid   5 and name HN   ) 0 0 2.7 ! B49
assign (resid   5 and name HA   ) (resid   5 and name HN   ) 0 0 3.5 ! B50
assign (resid   5 and name HB   ) (resid   5 and name HN   ) 0 0 5.0 ! B60
assign (resid   5 and name HG2*   ) (resid   5 and name HN   ) 0 0 4.2 ! B71
assign (resid   5 and name HB   ) (resid   5 and name HA   ) 0 0 3.5 !69
assign (resid   5 and name HG2*   ) (resid   5 and name HA   ) 0 0 5.0 !70
assign (resid   5 and name HG2*   ) (resid   5 and name HB   ) 0 0 4.2 !131
assign (resid   5 and name HN   ) (resid   6 and name HN   ) 0 0 5.0 ! C
assign (resid   3 and name HB   ) (resid   4 and name HN   ) 0 0 6.0 ! B
assign (resid   3 and name HG1*  ) (resid   4 and name HN   ) 0 0 8.0 ! B
assign (resid   3 and name HG2*  ) (resid   4 and name HN   ) 0 0 8.5 ! B
assign (resid   3 and name HD2*  ) (resid   4 and name HN   ) 0 0 8.5 ! B
assign (resid   5 and name HG2*   ) (resid   6 and name HN   ) 0 0 4.2 ! B160
assign (resid   45 and name HD1*   ) (resid   6 and name HA   ) 0 0 5.0 !68
assign (resid   6 and name HD21   ) (resid   6 and name HD22   ) 0 0 1.8 ! A51
assign (resid   6 and name HB1   ) (resid   6 and name HN   ) 0 0 6.0 ! B
assign (resid   6 and name HB2   ) (resid   6 and name HN   ) 0 0 6.0 ! B
assign (resid   6 and name HA   ) (resid   6 and name HD2*   ) 0 0 6.0 ! B297
assign (resid   6 and name HB1   ) (resid   6 and name HD2*   ) 0 0 4.5 ! B301
assign (resid   6 and name HB2   ) (resid   6 and name HD2*   ) 0 0 4.5 ! B302
assign (resid   6 and name HB1   ) (resid   6 and name HA   ) 0 0 2.7 !64
assign (resid   6 and name HB2   ) (resid   6 and name HA   ) 0 0 2.7 !66
assign (resid   9 and name HG*   ) (resid   6 and name HN   ) 0 0 6.5 ! B
assign (resid   39 and name HA   ) (resid   6 and name HD2*   ) 0 0 6.0 ! B298
assign (resid   39 and name HB*  ) (resid   6 and name HD2*   ) 0 0 7.0 !
assign (resid    9 and name HG*  ) (resid   6 and name HD2*   ) 0 0 7.5 !
assign (resid   42 and name HB1   ) (resid   6 and name HA   ) 0 0 3.5 !65
assign (resid   42 and name HB2   ) (resid   6 and name HA   ) 0 0 2.7 !67
assign (resid   42 and name HB*   ) (resid   7 and name HN   ) 0 0 8.0 ! B
assign (resid   6 and name HA   ) (resid   7 and name HN   ) 0 0 2.7 ! B16
assign (resid   6 and name HB1   ) (resid   7 and name HN   ) 0 0 5.0 ! B18
assign (resid   6 and name HB2   ) (resid   7 and name HN   ) 0 0 3.5 ! B20
assign (resid   7 and name HA   ) (resid   7 and name HN   ) 0 0 3.5 ! B17
assign (resid   7 and name HB2   ) (resid   7 and name HN   ) 0 0 2.7 ! B19
assign (resid   7 and name HB1   ) (resid   7 and name HN   ) 0 0 3.5 ! B21
assign (resid   7 and name HB2   ) (resid   7 and name HA   ) 0 0 3.5 !135
assign (resid   7 and name HB1   ) (resid   7 and name HA   ) 0 0 3.5 !137
assign (resid   7 and name HB1   ) (resid   7 and name HB2   ) 0 0 1.8 !177
assign (resid   42 and name HB2   ) (resid   7 and name HN   ) 0 0 5.0 ! B22
assign (resid   7 and name HN   ) (resid   8 and name HN   ) 0 0 2.7 ! A3
assign (resid   7 and name HA   ) (resid   8 and name HN   ) 0 0 6.0 ! B260
assign (resid   8 and name HA   ) (resid   8 and name HN   ) 0 0 3.5 ! B258
assign (resid   8 and name HB1   ) (resid   8 and name HN   ) 0 0 2.7 ! B261
assign (resid   8 and name HB2   ) (resid   8 and name HN   ) 0 0 2.7 ! B265
assign (resid   8 and name HB1   ) (resid   8 and name HA   ) 0 0 3.5 !109
assign (resid   8 and name HB2   ) (resid   8 and name HA   ) 0 0 2.7 !110
assign (resid   8 and name HB1   ) (resid   8 and name HB2   ) 0 0 1.8 !158
assign (resid   28 and name HB*   ) (resid   8 and name HA   ) 0 0 4.5 !111
assign (resid   7 and name HN   ) (resid   9 and name HN   ) 0 0 7.0 ! A
assign (resid   8 and name HN   ) (resid   9 and name HN   ) 0 0 2.7 ! A45
assign (resid   8 and name HB1   ) (resid   9 and name HN   ) 0 0 2.7 ! B209
assign (resid   8 and name HB2   ) (resid   9 and name HN   ) 0 0 3.5 ! B211
assign (resid   8 and name HA   ) (resid   9 and name HN   ) 0 0 5.0 ! B216
assign (resid   9 and name HB*   ) (resid   9 and name HN   ) 0 0 4.2 ! B215
assign (resid   9 and name HA   ) (resid   9 and name HN   ) 0 0 3.5 ! B217
assign (resid   9 and name HB*   ) (resid   9 and name HA   ) 0 0 4.2 !129
assign (resid   37 and name HB2   ) (resid   9 and name HN   ) 0 0 5.0 ! B
assign (resid   37 and name HB1   ) (resid   9 and name HN   ) 0 0 7.0 ! B
assign (resid   7 and name HA   ) (resid   10 and name HN   ) 0 0 6.0 ! B228
assign (resid   9 and name HN   ) (resid   10 and name HN   ) 0 0 3.5 ! A44
assign (resid   9 and name HA   ) (resid   10 and name HN   ) 0 0 6.0 ! B226
assign (resid   9 and name HB*   ) (resid   10 and name HN   ) 0 0 5.0 ! B232
assign (resid   10 and name HA1   ) (resid   10 and name HN   ) 0 0 2.7 ! B227b
assign (resid   10 and name HA2   ) (resid   10 and name HN   ) 0 0 3.5 ! B229
assign (resid   10 and name HA1   ) (resid   10 and name HA2   ) 0 0 1.8 !121
assign (resid   10 and name HA1   ) (resid   11 and name HN   ) 0 0 2.7 ! B219
assign (resid   10 and name HA2   ) (resid   11 and name HN   ) 0 0 3.5 ! B221
assign (resid   11 and name HG2*   ) (resid   11 and name HN   ) 0 0 6.5 ! B222
assign (resid   11 and name HG2*   ) (resid   11 and name HA   ) 0 0 4.2 !96
assign (resid   14 and name HB2   ) (resid   11 and name HN   ) 0 0 7.0 ! B
assign (resid   27 and name HA*   ) (resid   11 and name HN   ) 0 0 8.0 ! B
assign (resid   11 and name HA   ) (resid   12 and name HN   ) 0 0 2.7 ! B102
assign (resid   12 and name HA   ) (resid   12 and name HN   ) 0 0 3.5 ! B103
assign (resid   12 and name HE*   ) (resid   12 and name HN   ) 0 0 6.0 ! B116
assign (resid   12 and name HB1   ) (resid   12 and name HA   ) 0 0 3.5 !126
assign (resid   12 and name HB2   ) (resid   12 and name HA   ) 0 0 3.5 !127
assign (resid   29 and name HN   ) (resid   12 and name HN   ) 0 0 3.5 ! A12
assign (resid   30 and name HA   ) (resid   12 and name HN   ) 0 0 5.0 ! B101
assign (resid   12 and name HA   ) (resid   13 and name HN   ) 0 0 2.7 ! B207
assign (resid   13 and name HA1   ) (resid   13 and name HN   ) 0 0 3.5 ! B204
assign (resid   13 and name HA2   ) (resid   13 and name HN   ) 0 0 3.5 ! B208
assign (resid   13 and name HA1   ) (resid   13 and name HA2   ) 0 0 1.8 !80
assign (resid   11 and name HA   ) (resid   14 and name HN   ) 0 0 6.0 !B164
assign (resid   12 and name HA   ) (resid   14 and name HN   ) 0 0 5.0 ! B165
assign (resid   13 and name HN   ) (resid   14 and name HN   ) 0 0 3.5 ! A41
assign (resid   13 and name HA1   ) (resid   14 and name HN   ) 0 0 5.0 ! B163
assign (resid   13 and name HA2   ) (resid   14 and name HN   ) 0 0 5.0 ! B167
assign (resid   14 and name HA   ) (resid   14 and name HN   ) 0 0 3.5 ! B161
assign (resid   14 and name HB2   ) (resid   14 and name HN   ) 0 0 2.7 ! B166
assign (resid   14 and name HB1   ) (resid   14 and name HN   ) 0 0 5.0 ! B168
assign (resid   14 and name HB2   ) (resid   14 and name HA   ) 0 0 3.5 !25
assign (resid   14 and name HB1   ) (resid   14 and name HA   ) 0 0 2.7 !26
assign (resid   14 and name HB1   ) (resid   14 and name HB2   ) 0 0 1.8 !142
assign (resid   50 and name HA   ) (resid   14 and name HA   ) 0 0 2.7 !14
assign (resid   12 and name HB*  ) (resid   14 and name HN   ) 0 0 6.0 ! B169
assign (resid   27 and name HA1  ) (resid   14 and name HN   ) 0 0 6.0 ! B
assign (resid   27 and name HA2  ) (resid   14 and name HN   ) 0 0 6.0 ! B
assign (resid   27 and name HN   ) (resid   14 and name HN   ) 0 0 3.5 ! B
assign (resid   50 and name HB1   ) (resid   51 and name HD*   ) 0 0 4.5 !134
assign (resid   50 and name HB2   ) (resid   51 and name HD*   ) 0 0 6.0 !136
assign (resid   51 and name HD*   ) (resid   14 and name HA   ) 0 0 6.0 !24
assign (resid   14 and name HA   ) (resid   15 and name HN   ) 0 0 2.7 ! B124
assign (resid   14 and name HB1   ) (resid   15 and name HN   ) 0 0 3.5 ! B137
assign (resid   26 and name HA   ) (resid   15 and name HA   ) 0 0 2.7 !1
assign (resid   50 and name HA   ) (resid   15 and name HN   ) 0 0 3.5 ! B123
assign (resid   14 and name HB1   ) (resid   16 and name HE*   ) 0 0 8.0 ! B
assign (resid   14 and name HB2   ) (resid   16 and name HE*   ) 0 0 7.0 ! B
assign (resid   14 and name HB2   ) (resid   16 and name HD*   ) 0 0 9.0 ! B
assign (resid   14 and name HB1   ) (resid   16 and name HD*   ) 0 0 9.0 ! B
assign (resid   15 and name HA   ) (resid   16 and name HN   ) 0 0 2.7 ! B172
assign (resid   16 and name HD*   ) (resid   16 and name HN   ) 0 0 4.7 ! A32
assign (resid   16 and name HD*   ) (resid   16 and name HE*   ) 0 0 2.7 ! A67
assign (resid   16 and name HA   ) (resid   16 and name HN   ) 0 0 3.5 ! B171
assign (resid   16 and name HB1   ) (resid   16 and name HN   ) 0 0 5.0 ! B173
assign (resid   16 and name HB2   ) (resid   16 and name HN   ) 0 0 2.7 ! B174
assign (resid   16 and name HA   ) (resid   16 and name HD*   ) 0 0 5.5 ! B359
assign (resid   16 and name HB1   ) (resid   16 and name HD*   ) 0 0 4.7 ! B370
assign (resid   16 and name HB2   ) (resid   16 and name HD*   ) 0 0 4.7 ! B371
assign (resid   16 and name HB1   ) (resid   16 and name HA   ) 0 0 3.5 !28
assign (resid   16 and name HB2   ) (resid   16 and name HA   ) 0 0 5.0 !29
assign (resid   16 and name HB1   ) (resid   16 and name HB2   ) 0 0 1.8 !190b
assign (resid   23 and name HE*   ) (resid   16 and name HN   ) 0 0 5.5 ! A33
assign (resid   25 and name HN   ) (resid   16 and name HN   ) 0 0 5.0 ! A31
assign (resid   26 and name HA   ) (resid   16 and name HN   ) 0 0 3.5 ! B170
assign (resid   27 and name HA1   ) (resid   16 and name HE*   ) 0 0 7.0 ! B
assign (resid   27 and name HA2   ) (resid   16 and name HE*   ) 0 0 7.0 ! B
assign (resid   27 and name HA2   ) (resid   16 and name HD*   ) 0 0 9.0 ! B
assign (resid   27 and name HA1   ) (resid   16 and name HD*   ) 0 0 9.0 ! B
assign (resid   45 and name HD1*   ) (resid   16 and name HD*   ) 0 0 6.5 ! B377
assign (resid   48 and name HA1   ) (resid   16 and name HD*   ) 0 0 5.5 ! B358
assign (resid   48 and name HA2   ) (resid   16 and name HD*   ) 0 0 5.5 ! B362
assign (resid   48 and name HA1   ) (resid   16 and name HA   ) 0 0 3.5 !6
assign (resid   48 and name HA2   ) (resid   16 and name HA   ) 0 0 5.0 !27
assign (resid   16 and name HA   ) (resid   17 and name HN   ) 0 0 2.7 ! B99
assign (resid   16 and name HA   ) (resid   17 and name HD*   ) 0 0 7.0 ! B352
assign (resid   17 and name HD*   ) (resid   17 and name HN   ) 0 0 4.7 ! A22
assign (resid   17 and name HD*   ) (resid   17 and name HE*   ) 0 0 2.7 ! A59
assign (resid   17 and name HD*   ) (resid   17 and name HZ   ) 0 0 7.0 ! A66
assign (resid   17 and name HA   ) (resid   17 and name HN   ) 0 0 5.0 ! B98
assign (resid   17 and name HB2   ) (resid   17 and name HN   ) 0 0 3.5 ! B104
assign (resid   17 and name HB1   ) (resid   17 and name HN   ) 0 0 2.7 ! B106
assign (resid   17 and name HA   ) (resid   17 and name HD*   ) 0 0 5.5 ! B351
assign (resid   17 and name HB2   ) (resid   17 and name HD*   ) 0 0 4.7 ! B355
assign (resid   17 and name HB1   ) (resid   17 and name HD*   ) 0 0 4.7 ! B356
assign (resid   17 and name HB2   ) (resid   17 and name HZ   ) 0 0 6.0 ! B388
assign (resid   17 and name HB1   ) (resid   17 and name HZ   ) 0 0 6.0 ! B390
assign (resid   17 and name HB2   ) (resid   17 and name HA   ) 0 0 2.7 !21
assign (resid   17 and name HB1   ) (resid   17 and name HA   ) 0 0 5.0 !22
assign (resid   23 and name HB2   ) (resid   17 and name HE*   ) 0 0 7.0 ! B324
assign (resid   23 and name HB1   ) (resid   17 and name HE*   ) 0 0 7.0 ! B325
assign (resid   23 and name HA   ) (resid   17 and name HD*   ) 0 0 4.7 ! B353
assign (resid   23 and name HB2   ) (resid   17 and name HD*   ) 0 0 7.0 ! B354
assign (resid   23 and name HA   ) (resid   17 and name HA   ) 0 0 2.7 !20
assign (resid   24 and name HG1*   ) (resid   17 and name HA   ) 0 0 5.0 !23
assign (resid   45 and name HG2*   ) (resid   17 and name HN   ) 0 0 7.5 ! B108
assign (resid   46 and name HB*   ) (resid   17 and name HZ   ) 0 0 6.5 ! B400
assign (resid   48 and name HA2   ) (resid   17 and name HN   ) 0 0 5.0 ! B97
assign (resid   48 and name HA1   ) (resid   17 and name HD*   ) 0 0 8.0 ! B
assign (resid   48 and name HA2   ) (resid   17 and name HD*   ) 0 0 8.0 ! B
assign (resid   49 and name HB   ) (resid   17 and name HE*   ) 0 0 7.0 ! B
assign (resid   49 and name HD1*   ) (resid   17 and name HE*   ) 0 0 8.5 ! B
assign (resid   49 and name HG2*   ) (resid   17 and name HE*   ) 0 0 9.5 ! B
assign (resid   49 and name HG12   ) (resid   17 and name HE*   ) 0 0 7.0 ! B
assign (resid   49 and name HG11   ) (resid   17 and name HE*   ) 0 0 7.0 ! B
assign (resid   17 and name HD*   ) (resid   18 and name HN   ) 0 0 7.0 ! A 6
assign (resid   17 and name HA   ) (resid   18 and name HN   ) 0 0 2.7 ! B31
assign (resid   17 and name HB2   ) (resid   18 and name HN   ) 0 0 3.5 ! B35
assign (resid   17 and name HB1   ) (resid   18 and name HN   ) 0 0 5.0 ! B36
assign (resid   18 and name HA   ) (resid   18 and name HN   ) 0 0 3.5 ! B30
assign (resid   18 and name HB2   ) (resid   18 and name HN   ) 0 0 3.5 ! B32
assign (resid   18 and name HB1   ) (resid   18 and name HN   ) 0 0 2.7 ! B34
assign (resid   18 and name HB2   ) (resid   18 and name HA   ) 0 0 2.7 !7
assign (resid   18 and name HB1   ) (resid   18 and name HA   ) 0 0 3.5 !8
assign (resid   46 and name HB*   ) (resid   18 and name HA   ) 0 0 6.5 !12
assign (resid   24 and name HG1*   ) (resid   18 and name HN   ) 0 0 6.0 ! B37
assign (resid   45 and name HA   ) (resid   18 and name HA   ) 0 0 3.5 !9
assign (resid   18 and name HA   ) (resid   19 and name HN   ) 0 0 2.7 ! B51
assign (resid   19 and name HA   ) (resid   19 and name HN   ) 0 0 3.5 ! B56
assign (resid   19 and name HB1   ) (resid   19 and name HN   ) 0 0 2.7 ! B65
assign (resid   19 and name HB2   ) (resid   19 and name HA   ) 0 0 2.7 !81
assign (resid   19 and name HB1   ) (resid   19 and name HA   ) 0 0 2.7 !82
assign (resid   18 and name HB1   ) (resid   20 and name HN   ) 0 0 5.0 ! B227a
assign (resid   19 and name HN   ) (resid   20 and name HN   ) 0 0 3.5 ! A13
assign (resid   19 and name HA   ) (resid   20 and name HN   ) 0 0 5.0 ! B236
assign (resid   19 and name HB2   ) (resid   20 and name HN   ) 0 0 6.0 ! B238
assign (resid   46 and name HB*   ) (resid   19 and name HA   ) 0 0 3.5 !
assign (resid   20 and name HA   ) (resid   20 and name HN   ) 0 0 3.5 ! B235
assign (resid   20 and name HB2   ) (resid   20 and name HN   ) 0 0 5.0 ! B237
assign (resid   20 and name HB1   ) (resid   20 and name HN   ) 0 0 2.7 ! B239
assign (resid   17 and name HZ   ) (resid   21 and name HN   ) 0 0 5.0 ! A28
assign (resid   19 and name HA   ) (resid   21 and name HN   ) 0 0 5.0 ! B150
assign (resid   20 and name HN   ) (resid   21 and name HN   ) 0 0 2.7 ! A40
assign (resid   20 and name HA   ) (resid   21 and name HN   ) 0 0 5.0 ! B125
assign (resid   21 and name HA1   ) (resid   21 and name HN   ) 0 0 3.5 ! B128
assign (resid   21 and name HA2   ) (resid   21 and name HN   ) 0 0 3.5 ! B130
assign (resid   21 and name HA1   ) (resid   21 and name HA2   ) 0 0 1.8 !103
assign (resid   18 and name HN   ) (resid   22 and name HN   ) 0 0 5.0 ! A10
assign (resid   21 and name HN   ) (resid   22 and name HN   ) 0 0 2.7 ! A39
assign (resid   21 and name HA1   ) (resid   22 and name HN   ) 0 0 5.0 ! B276
assign (resid   21 and name HA2   ) (resid   22 and name HN   ) 0 0 3.5 ! B278
assign (resid   22 and name HA   ) (resid   22 and name HN   ) 0 0 3.5 ! B275
assign (resid   22 and name HB   ) (resid   22 and name HN   ) 0 0 2.7 ! B277
assign (resid   22 and name HG2*   ) (resid   22 and name HN   ) 0 0 5.0 ! B288
assign (resid   22 and name HG2*   ) (resid   22 and name HA   ) 0 0 5.0 !88
assign (resid   22 and name HG2*   ) (resid   22 and name HB   ) 0 0 4.2 !102c
assign (resid   15 and name HD*   ) (resid   23 and name HE*   ) 0 0 8 ! B345
assign (resid   17 and name HD*   ) (resid   23 and name HN   ) 0 0 7.0 ! A8
assign (resid   17 and name HE*   ) (resid   23 and name HN   ) 0 0 7.0 ! A9
assign (resid   17 and name HE*   ) (resid   23 and name HD*   ) 0 0 9 ! A60
assign (resid   22 and name HA   ) (resid   23 and name HN   ) 0 0 2.7 ! B38
assign (resid   22 and name HB   ) (resid   23 and name HN   ) 0 0 5.0 ! B39
assign (resid   23 and name HD*   ) (resid   23 and name HN   ) 0 0 7.0 ! A7
assign (resid   23 and name HE*   ) (resid   23 and name HZ   ) 0 0 2.7 ! A63
assign (resid   23 and name HD*   ) (resid   23 and name HE*   ) 0 0 2.7 ! A65
assign (resid   23 and name HA   ) (resid   23 and name HN   ) 0 0 3.5 ! B40
assign (resid   23 and name HB2   ) (resid   23 and name HN   ) 0 0 2.7 ! B41
assign (resid   23 and name HB1   ) (resid   23 and name HN   ) 0 0 2.7 ! B42
assign (resid   23 and name HA   ) (resid   23 and name HD*   ) 0 0 4.7 ! B378
assign (resid   23 and name HB2   ) (resid   23 and name HD*   ) 0 0 4.7 ! B379
assign (resid   23 and name HB1   ) (resid   23 and name HD*   ) 0 0 4.7 ! B380
assign (resid   23 and name HB2   ) (resid   23 and name HA   ) 0 0 2.7 !132
assign (resid   23 and name HB1   ) (resid   23 and name HA   ) 0 0 5.0 !133
assign (resid   25 and name HA   ) (resid   23 and name HZ   ) 0 0 3.5 ! B339
assign (resid   25 and name HA   ) (resid   23 and name HE*   ) 0 0 5.5 ! B344
assign (resid   26 and name HG*   ) (resid   23 and name HZ   ) 0 0 6.0 ! B340
assign (resid   26 and name HB1   ) (resid   23 and name HZ   ) 0 0 5.0 ! B341
assign (resid   26 and name HB2   ) (resid   23 and name HZ   ) 0 0 3.5 ! B342
assign (resid   22 and name HG2*   ) (resid   23 and name HN   ) 0 0 4.2 ! B43
assign (resid   17 and name HD*   ) (resid   24 and name HN   ) 0 0 7.0 ! A24
assign (resid   17 and name HA   ) (resid   24 and name HN   ) 0 0 2.7 ! B110
assign (resid   23 and name HD*   ) (resid   24 and name HN   ) 0 0 5.5 ! A26
assign (resid   23 and name HA   ) (resid   24 and name HN   ) 0 0 2.7 ! B113
assign (resid   24 and name HA   ) (resid   24 and name HN   ) 0 0 3.5 ! B114
assign (resid   24 and name HB   ) (resid   24 and name HN   ) 0 0 2.7 ! B120
assign (resid   24 and name HG1*   ) (resid   24 and name HN   ) 0 0 5.5 ! B121
assign (resid   24 and name HG2*   ) (resid   24 and name HN   ) 0 0 6.5 ! B122
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assign (resid   24 and name HG2*   ) (resid   24 and name HA   ) 0 0 4.2 !149
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assign (resid   16 and name HB2   ) (resid   25 and name HN   ) 0 0 3.5 ! B408
assign (resid   23 and name HA   ) (resid   25 and name HN   ) 0 0 6.0 ! B
assign (resid   24 and name HN   ) (resid   25 and name HN   ) 0 0 2.7 ! A29
assign (resid   24 and name HA   ) (resid   25 and name HN   ) 0 0 6.0 ! B405
assign (resid   24 and name HB   ) (resid   25 and name HN   ) 0 0 2.7 ! B410
assign (resid   24 and name HG2*   ) (resid   25 and name HN   ) 0 0 5.0 ! B411
assign (resid   25 and name HA   ) (resid   25 and name HN   ) 0 0 3.5 ! B404
assign (resid   25 and name HB1   ) (resid   25 and name HN   ) 0 0 6.0 ! B406
assign (resid   25 and name HB2   ) (resid   25 and name HN   ) 0 0 6.0 ! B407
assign (resid   25 and name HB1   ) (resid   25 and name HA   ) 0 0 2.7 !104
assign (resid   25 and name HB2   ) (resid   25 and name HA   ) 0 0 2.7 !105
assign (resid   25 and name HB1   ) (resid   25 and name HB2   ) 0 0 1.8 !144
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assign (resid   25 and name HA   ) (resid   26 and name HN   ) 0 0 2.7 ! B76
assign (resid   25 and name HB1   ) (resid   26 and name HN   ) 0 0 5.0 ! B77
assign (resid   25 and name HB2   ) (resid   26 and name HN   ) 0 0 2.7 ! B80
assign (resid   26 and name HA   ) (resid   26 and name HN   ) 0 0 3.5 ! B72
assign (resid   26 and name HB1   ) (resid   26 and name HN   ) 0 0 3.5 ! B82
assign (resid   26 and name HB2   ) (resid   26 and name HN   ) 0 0 3.5 ! B83
assign (resid   26 and name HG*   ) (resid   26 and name HA   ) 0 0 6.0 !2
assign (resid   26 and name HB1   ) (resid   26 and name HA   ) 0 0 3.5 !3
assign (resid   26 and name HB2   ) (resid   26 and name HA   ) 0 0 3.5 !4
assign (resid   26 and name HB1   ) (resid   26 and name HB2   ) 0 0 1.8 !189
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assign (resid   26 and name HA   ) (resid   27 and name HN   ) 0 0 2.7 ! B109
assign (resid   26 and name HG1   ) (resid   27 and name HN   ) 0 0 5.0 ! B117
assign (resid   26 and name HG2   ) (resid   27 and name HN   ) 0 0 5.0 ! B118
assign (resid   26 and name HB*   ) (resid   27 and name HN   ) 0 0 6.0 ! B119
assign (resid   27 and name HA1   ) (resid   27 and name HN   ) 0 0 3.5 ! B112
assign (resid   27 and name HA2   ) (resid   27 and name HN   ) 0 0 3.5 ! B115
assign (resid   27 and name HA1   ) (resid   27 and name HA2   ) 0 0 1.8 !108
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assign (resid   16 and name HE*   ) (resid   27 and name HN   ) 0 0 5.5 ! A27
assign (resid   12 and name HA    ) (resid   28 and name HN   ) 0 0 7.0 ! B
assign (resid   8 and name HA    ) (resid   28 and name HN   ) 0 0 6.0 ! B
assign (resid   26 and name HB*   ) (resid   28 and name HN   ) 0 0 8.0 ! B
assign (resid   27 and name HA1   ) (resid   28 and name HN   ) 0 0 3.5 ! B320
assign (resid   27 and name HA2   ) (resid   28 and name HN   ) 0 0 2.7 ! B322
assign (resid   28 and name HA   ) (resid   28 and name HN   ) 0 0 5.0 ! B323
assign (resid   28 and name HG*   ) (resid   28 and name HN   ) 0 0 4.5 ! B326
assign (resid   28 and name HB1   ) (resid   28 and name HN   ) 0 0 5.0 ! B327
assign (resid   28 and name HB2   ) (resid   28 and name HN   ) 0 0 5.0 ! B328
assign (resid   28 and name HG1   ) (resid   28 and name HA   ) 0 0 5.0 !60
assign (resid   28 and name HG2   ) (resid   28 and name HA   ) 0 0 5.0 !61
assign (resid   28 and name HB1   ) (resid   28 and name HA   ) 0 0 3.5 !62
assign (resid   28 and name HB2   ) (resid   28 and name HA   ) 0 0 3.5 !63
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assign (resid   28 and name HB1   ) (resid   28 and name HG*   ) 0 0 4.5 !192a
assign (resid   28 and name HB2   ) (resid   28 and name HG*   ) 0 0 4.5 !192b
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assign (resid   28 and name HN   ) (resid   29 and name HN   ) 0 0 2.7 ! A14
assign (resid   28 and name HB*   ) (resid   29 and name HN   ) 0 0 6.0 ! B67
assign (resid   29 and name HA   ) (resid   29 and name HN   ) 0 0 3.5 ! B54
assign (resid   29 and name HB2   ) (resid   29 and name HN   ) 0 0 3.5 ! B59
assign (resid   29 and name HB1   ) (resid   29 and name HN   ) 0 0 3.5 ! B61
assign (resid   29 and name HB2   ) (resid   29 and name HA   ) 0 0 3.5 !55
assign (resid   29 and name HB1   ) (resid   29 and name HA   ) 0 0 3.5 !56
assign (resid   29 and name HB1   ) (resid   29 and name HB2   ) 0 0 1.8 !120
assign (resid   29 and name HA   ) (resid   30 and name HN   ) 0 0 3.5 ! B24
assign (resid   29 and name HB1   ) (resid   30 and name HN   ) 0 0 5.0 ! B27
assign (resid   30 and name HA   ) (resid   30 and name HN   ) 0 0 3.5 ! B23
assign (resid   30 and name HB1   ) (resid   30 and name HN   ) 0 0 2.7 ! B28
assign (resid   30 and name HB2   ) (resid   30 and name HN   ) 0 0 3.5 ! B29
assign (resid   30 and name HB1   ) (resid   30 and name HA   ) 0 0 3.5 !49
assign (resid   30 and name HB2   ) (resid   30 and name HA   ) 0 0 2.7 !50
assign (resid   30 and name HB1   ) (resid   30 and name HB2   ) 0 0 1.8 !181
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assign (resid   12 and name HB1   ) (resid   30 and name HA   ) 0 0 5.0 !53
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assign (resid   31 and name HB2   ) (resid   31 and name HA   ) 0 0 5.0 !94
assign (resid   31 and name HG*   ) (resid   31 and name HA   ) 0 0 6.0 !95
assign (resid   31 and name HB*   ) (resid   31 and name HD*   ) 0 0 4.7 !123
assign (resid   31 and name HA   ) (resid   32 and name HN   ) 0 0 5.0 ! B195
assign (resid   31 and name HD*   ) (resid   32 and name HN   ) 0 0 6.0 ! B197
assign (resid   32 and name HA   ) (resid   32 and name HN   ) 0 0 3.5 ! B196
assign (resid   32 and name HB1   ) (resid   32 and name HN   ) 0 0 5.0 ! B201
assign (resid   32 and name HB2   ) (resid   32 and name HN   ) 0 0 3.5 ! B202
assign (resid   32 and name HG*   ) (resid   32 and name HN   ) 0 0 4.5 ! B203
assign (resid   32 and name HB*   ) (resid   32 and name HA   ) 0 0 4.5 !102f
assign (resid   32 and name HN   ) (resid   33 and name HN   ) 0 0 2.7 ! A43
assign (resid   32 and name HB*   ) (resid   33 and name HN   ) 0 0 6.0 ! B286
assign (resid   33 and name HA   ) (resid   33 and name HN   ) 0 0 3.5 ! B272
assign (resid   33 and name HB1   ) (resid   33 and name HN   ) 0 0 3.5 ! B284
assign (resid   33 and name HB2   ) (resid   33 and name HN   ) 0 0 5.0 ! B285
assign (resid   33 and name HB1   ) (resid   33 and name HA   ) 0 0 3.5 !36
assign (resid   33 and name HB2   ) (resid   33 and name HA   ) 0 0 3.5 !38
assign (resid   33 and name HB1   ) (resid   33 and name HB2   ) 0 0 1.8 !190a
assign (resid   34 and name HD1   ) (resid   33 and name HA   ) 0 0 2.7 !33
assign (resid   34 and name HD2   ) (resid   33 and name HA   ) 0 0 2.7 !34
assign (resid   34 and name HD1   ) (resid   33 and name HN   ) 0 0 5.0 !
assign (resid   34 and name HD2   ) (resid   33 and name HN   ) 0 0 5.0 !
assign (resid   30 and name HB1   ) (resid   33 and name HN   ) 0 0 5.0 !
assign (resid   34 and name HD*   ) (resid   33 and name HB1   ) 0 0 6.0 !
assign (resid   34 and name HB*   ) (resid   34 and name HA   ) 0 0 4.5 !83
assign (resid   34 and name HG*   ) (resid   34 and name HA   ) 0 0 6.0 !85
assign (resid   34 and name HD1   ) (resid   34 and name HD2   ) 0 0 1.8 !143
assign (resid   34 and name HG*   ) (resid   34 and name HD1   ) 0 0 3.7 !146
assign (resid   34 and name HG*   ) (resid   34 and name HD2   ) 0 0 3.7 !156
assign (resid   34 and name HA   ) (resid   35 and name HN   ) 0 0 2.7 ! B253
assign (resid   35 and name HA   ) (resid   35 and name HN   ) 0 0 3.5 ! B257
assign (resid   35 and name HD*   ) (resid   35 and name HN   ) 0 0 6.0 ! B264
assign (resid   35 and name HB*   ) (resid   35 and name HA   ) 0 0 4.5 !102d
assign (resid   35 and name HA   ) (resid   36 and name HN   ) 0 0 2.7 ! B206
assign (resid   35 and name HB*   ) (resid   36 and name HN   ) 0 0 3.7 ! B212
assign (resid   36 and name HA   ) (resid   36 and name HN   ) 0 0 3.5 ! B205
assign (resid   36 and name HB*   ) (resid   36 and name HN   ) 0 0 4.2 ! B214
assign (resid   36 and name HB*   ) (resid   36 and name HA   ) 0 0 4.2 !87
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assign (resid   8 and name HB1   ) (resid   37 and name HB2   ) 0 0 5.0 !159
assign (resid   36 and name HA   ) (resid   37 and name HN   ) 0 0 2.7 ! B249
assign (resid   36 and name HN   ) (resid   37 and name HN   ) 0 0 5.0 ! A
assign (resid   36 and name HB*   ) (resid   37 and name HN   ) 0 0 5.0 ! B252
assign (resid   37 and name HA   ) (resid   37 and name HN   ) 0 0 3.5 ! B247
assign (resid   37 and name HB1   ) (resid   37 and name HN   ) 0 0 5.0 ! B250
assign (resid   37 and name HB2   ) (resid   37 and name HN   ) 0 0 3.5 ! B251
assign (resid   37 and name HB1   ) (resid   37 and name HA   ) 0 0 3.5 !35
assign (resid   37 and name HB2   ) (resid   37 and name HA   ) 0 0 5.0 !37
assign (resid   37 and name HB1   ) (resid   37 and name HB2   ) 0 0 1.8 !164
assign (resid   38 and name HD1   ) (resid   37 and name HA   ) 0 0 3.5 !C
assign (resid   38 and name HD2   ) (resid   37 and name HA   ) 0 0 3.5 !C
assign (resid   38 and name HA   ) (resid   39 and name HN   ) 0 0 3.5 ! B
assign (resid   38 and name HB*   ) (resid   39 and name HN   ) 0 0 6.0 ! B
assign (resid   39 and name HA   ) (resid   39 and name HN   ) 0 0 3.5 ! B
assign (resid   39 and name HB*   ) (resid   39 and name HN   ) 0 0 4.5 !B
assign (resid   39 and name HN   ) (resid   40 and name HN   ) 0 0 2.7 ! A
assign (resid   39 and name HA   ) (resid   40 and name HN   ) 0 0 5.0 ! B
assign (resid   39 and name HB*   ) (resid   40 and name HN   ) 0 0 6.0 ! B
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assign (resid   40 and name HB1   ) (resid   40 and name HN   ) 0 0 5.0 ! B295
assign (resid   40 and name HB2   ) (resid   40 and name HN   ) 0 0 3.5 ! B296
assign (resid   40 and name HB1   ) (resid   40 and name HA   ) 0 0 3.5 !73
assign (resid   40 and name HB2   ) (resid   40 and name HA   ) 0 0 3.5 !74
assign (resid   40 and name HA   ) (resid   41 and name HN   ) 0 0 2.7 ! B126
assign (resid   40 and name HB3   ) (resid   41 and name HN   ) 0 0 5.0 ! B134
assign (resid   40 and name HB2   ) (resid   41 and name HN   ) 0 0 5.0 ! B135
assign (resid   41 and name HA   ) (resid   41 and name HN   ) 0 0 3.5 ! B127
assign (resid   41 and name HB2   ) (resid   41 and name HN   ) 0 0 3.5 ! B133
assign (resid   41 and name HB1   ) (resid   41 and name HA   ) 0 0 3.5 !91
assign (resid   41 and name HB2   ) (resid   41 and name HA   ) 0 0 3.5 !92
assign (resid   41 and name HB1   ) (resid   41 and name HB2   ) 0 0 1.8 !150
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assign (resid   3 and name HG2*  ) (resid   42 and name HA   ) 0 0 6.5 !
assign (resid   3 and name HG1*  ) (resid   42 and name HA   ) 0 0 6.5 !
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assign (resid   41 and name HB1   ) (resid   42 and name HN   ) 0 0 5.0 ! B62
assign (resid   42 and name HA   ) (resid   42 and name HN   ) 0 0 5.0 ! B53
assign (resid   42 and name HB1   ) (resid   42 and name HN   ) 0 0 3.5 ! B64
assign (resid   42 and name HB2   ) (resid   42 and name HN   ) 0 0 3.5 ! B66
assign (resid   42 and name HB1   ) (resid   42 and name HA   ) 0 0 5.0 !44
assign (resid   42 and name HB2   ) (resid   42 and name HA   ) 0 0 3.5 !51
assign (resid   42 and name HB1   ) (resid   42 and name HB2   ) 0 0 1.8 !182
assign (resid   43 and name HD1   ) (resid   42 and name HA   ) 0 0 2.7 !40
assign (resid   43 and name HD2   ) (resid   42 and name HA   ) 0 0 2.7 !41
assign (resid   43 and name HB*   ) (resid   43 and name HA   ) 0 0 3.7 !75
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assign (resid   43 and name HB*   ) (resid   43 and name HD1   ) 0 0 4.5 !115
assign (resid   43 and name HG*   ) (resid   43 and name HD1   ) 0 0 6.0 !116
assign (resid   43 and name HB*   ) (resid   43 and name HD2   ) 0 0 4.5 !124
assign (resid   43 and name HG*   ) (resid   43 and name HD2   ) 0 0 6.0 !125
assign (resid   24 and name HG2*   ) (resid   44 and name HH**   ) 0 0 7.5
! B306
assign (resid   24 and name HG1*   ) (resid   44 and name HH**   ) 0 0 8.5 ! B
assign (resid   44 and name HH**   ) (resid   44 and name HN   ) 0 0 5.0 ! A38
assign (resid   43 and name HA   ) (resid   44 and name HN   ) 0 0 5.0 ! B
assign (resid   44 and name HA   ) (resid   44 and name HN   ) 0 0 3.5 ! B129
assign (resid   44 and name HB*   ) (resid   44 and name HN   ) 0 0 3.7 ! B144
assign (resid   44 and name HG*   ) (resid   44 and name HN   ) 0 0 4.5 ! B145
assign (resid   44 and name HD1   ) (resid   44 and name HH**   ) 0 0 5.0 ! B299
assign (resid   44 and name HD2   ) (resid   44 and name HH**   ) 0 0 5.0 ! B300
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assign (resid   44 and name HG*   ) (resid   44 and name HH**   ) 0 0 5.2 ! B304
assign (resid   44 and name HG*   ) (resid   44 and name HA   ) 0 0 3.7 !117
assign (resid   44 and name HB1   ) (resid   44 and name HA   ) 0 0 3.5 !118
assign (resid   44 and name HB2   ) (resid   44 and name HA   ) 0 0 3.5 !119
assign (resid   44 and name HD1   ) (resid   44 and name HD2   ) 0 0 1.8 !162
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assign (resid   24 and name HG1*   ) (resid   45 and name HA   ) 0 0 6.5 !
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assign (resid   43 and name HA   ) (resid   45 and name HN   ) 0 0 5.0 ! B310
assign (resid   43 and name HD1   ) (resid   45 and name HN   ) 0 0 7.0 ! B
assign (resid   43 and name HD2   ) (resid   45 and name HN   ) 0 0 7.0 ! B
assign (resid   44 and name HN   ) (resid   45 and name HN   ) 0 0 2.7 ! A35
assign (resid   44 and name HA   ) (resid   45 and name HN   ) 0 0 6.0 ! B311
assign (resid   45 and name HA   ) (resid   45 and name HN   ) 0 0 3.5 ! B312
assign (resid   45 and name HB   ) (resid   45 and name HN   ) 0 0 2.7 ! B315
assign (resid   45 and name HG11   ) (resid   45 and name HN   ) 0 0 5.0 ! B316
assign (resid   45 and name HG12   ) (resid   45 and name HN   ) 0 0 5.0 ! B317
assign (resid   45 and name HD1*   ) (resid   45 and name HN   ) 0 0 6.0 ! B318
assign (resid   45 and name HB   ) (resid   45 and name HA   ) 0 0 3.5 !151
assign (resid   45 and name HG11   ) (resid   45 and name HA   ) 0 0 5.0 !152
assign (resid   45 and name HG12   ) (resid   45 and name HA   ) 0 0 5.0 !153
assign (resid   45 and name H***   ) (resid   45 and name HA   ) 0 0 7.2 !155
assign (resid   45 and name HD1*   ) (resid   45 and name HB   ) 0 0 5.0 !228
assign (resid   45 and name HG*   ) (resid   45 and name HB   ) 0 0 3.7 !231
assign (resid   45 and name HG2*   ) (resid   45 and name HG1*   ) 0 0 5.2 !237
assign (resid   45 and name HG11   ) (resid   45 and name HG12   ) 0 0 1.8 !239
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assign (resid   19 and name HN   ) (resid   46 and name HN   ) 0 0 7.0 ! A
assign (resid   18 and name HA   ) (resid   46 and name HN   ) 0 0 2.7 ! B1
assign (resid   45 and name HA   ) (resid   46 and name HN   ) 0 0 2.7 ! B3
assign (resid   45 and name HG1*   ) (resid   46 and name HN   ) 0 0 3.7 ! B6
assign (resid   45 and name H***   ) (resid   46 and name HN   ) 0 0 8.5 ! B7
assign (resid   46 and name HA   ) (resid   46 and name HN   ) 0 0 3.5 ! B2
assign (resid   46 and name HB*   ) (resid   46 and name HN   ) 0 0 4.2 ! B5
assign (resid   46 and name HB*   ) (resid   46 and name HA   ) 0 0 4.2 !54
assign (resid   17 and name HN   ) (resid   47 and name HN   ) 0 0 3.5 ! A20
assign (resid   18 and name HA   ) (resid   47 and name HN   ) 0 0 6.0 ! B248
assign (resid   45 and name HG*   ) (resid   47 and name HN   ) 0 0 4.5 ! B246
assign (resid   45 and name HA   ) (resid   47 and name HN   ) 0 0 5.0 ! B
assign (resid   46 and name HN   ) (resid   47 and name HN   ) 0 0 2.7 ! A 1
assign (resid   46 and name HA   ) (resid   47 and name HN   ) 0 0 5.0 ! B241
assign (resid   46 and name HB*   ) (resid   47 and name HN   ) 0 0 4.2 ! B245
assign (resid   46 and name HB*   ) (resid   47 and name HD*   ) 0 0 6.2 ! B372
assign (resid   47 and name HD*   ) (resid   47 and name HN   ) 0 0 5.5 ! A47
assign (resid   47 and name HD*   ) (resid   47 and name HE*   ) 0 0 4.7 ! A68
assign (resid   47 and name HA   ) (resid   47 and name HN   ) 0 0 3.5 ! B240
assign (resid   47 and name HB1   ) (resid   47 and name HN   ) 0 0 6.0 ! B243
assign (resid   47 and name HB2   ) (resid   47 and name HN   ) 0 0 6.0 ! B244
assign (resid   47 and name HA   ) (resid   47 and name HD*   ) 0 0 7.0 ! B360
assign (resid   47 and name HB1   ) (resid   47 and name HD*   ) 0 0 4.7 ! B368
assign (resid   47 and name HB2   ) (resid   47 and name HD*   ) 0 0 4.7 ! B369
assign (resid   47 and name HB1   ) (resid   47 and name HA   ) 0 0 3.5 !42
assign (resid   47 and name HB2   ) (resid   47 and name HA   ) 0 0 3.5 !43
assign (resid   47 and name HB1   ) (resid   47 and name HB2   ) 0 0 1.8 !161
assign (resid   45 and name HG1*   ) (resid   48 and name HN   ) 0 0 8.0 ! B
assign (resid   47 and name HD*   ) (resid   48 and name HN   ) 0 0 5.5 ! A15
assign (resid   47 and name HA   ) (resid   48 and name HN   ) 0 0 2.7 ! B74
assign (resid   47 and name HB1   ) (resid   48 and name HN   ) 0 0 3.5 ! B79
assign (resid   47 and name HB2   ) (resid   48 and name HN   ) 0 0 2.7 ! B81
assign (resid   48 and name HA1   ) (resid   48 and name HN   ) 0 0 2.7 ! B73
assign (resid   48 and name HA2   ) (resid   48 and name HN   ) 0 0 3.5 ! B78
assign (resid   48 and name HA1   ) (resid   48 and name HA2   ) 0 0 1.8 !10
assign (resid   15 and name HN   ) (resid   49 and name HN   ) 0 0 3.5 ! A 2
assign (resid   16 and name HA   ) (resid   49 and name HN   ) 0 0 5.0 ! B9
assign (resid   17 and name HD*   ) (resid   49 and name HN   ) 0 0 7.0 ! A5
assign (resid   17 and name HE*   ) (resid   49 and name HN   ) 0 0 7.0 ! A6
assign (resid   45 and name HD1*   ) (resid   7 and name HN   ) 0 0 6.5 ! B15
assign (resid   48 and name HA1   ) (resid   49 and name HN   ) 0 0 3.5 ! B8
assign (resid   48 and name HA2   ) (resid   49 and name HN   ) 0 0 2.7 ! B11
assign (resid   49 and name HA   ) (resid   49 and name HN   ) 0 0 3.5 ! B
assign (resid   49 and name HB   ) (resid   49 and name HN   ) 0 0 3.5 ! B
assign (resid   49 and name HG11   ) (resid   49 and name HN   ) 0 0 5.0 ! B
assign (resid   49 and name HG12   ) (resid   49 and name HN   ) 0 0 5.0 ! B
assign (resid   49 and name HG2*   ) (resid   49 and name HN   ) 0 0 7.5 ! B
assign (resid   49 and name HD1*   ) (resid   49 and name HN   ) 0 0 8.5 ! B
assign (resid   49 and name HA   ) (resid   50 and name HN   ) 0 0 2.7 ! B45
assign (resid   49 and name HB   ) (resid   50 and name HN   ) 0 0 7.0 ! B
assign (resid   49 and name HG2*   ) (resid   50 and name HN   ) 0 0 6.5 ! B
assign (resid   49 and name HD1*   ) (resid   50 and name HN   ) 0 0 8.5 ! B
assign (resid   49 and name HG12   ) (resid   50 and name HN   ) 0 0 7.0 ! B
assign (resid   49 and name HG11   ) (resid   50 and name HN   ) 0 0 7.0 ! B
assign (resid   50 and name HA   ) (resid   50 and name HN   ) 0 0 3.5 ! B44
assign (resid   50 and name HB1   ) (resid   50 and name HN   ) 0 0 5.0 ! B46
assign (resid   50 and name HB2   ) (resid   50 and name HN   ) 0 0 3.5 ! B47
assign (resid   50 and name HB1   ) (resid   50 and name HA   ) 0 0 2.7 !17
assign (resid   50 and name HB2   ) (resid   50 and name HA   ) 0 0 3.5 !18
assign (resid   50 and name HB1   ) (resid   50 and name HB2   ) 0 0 1.8 !171
assign (resid   51 and name HD1   ) (resid   50 and name HA   ) 0 0 2.7 !15
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assign (resid   51 and name HG*   ) (resid   51 and name HA   ) 0 0 4.5 !72
assign (resid   51 and name HA   ) (resid   52 and name HN   ) 0 0 3.5 ! B
assign (resid   52 and name HB*   ) (resid   52 and name HN   ) 0 0 4.5 ! B
assign (resid   52 and name HA   ) (resid   52 and name HN   ) 0 0 3.5 ! B
assign (resid   10 and name HA1   ) (resid   16 and name HE*   ) 0 0 7.0 ! B394
assign (resid   10 and name HA2   ) (resid   16 and name HE*   ) 0 0 7.0 ! B397
assign (resid   11 and name HN    ) (resid   16 and name HE*   ) 0 0 5.5 !
assign (resid   24 and name HG1*   ) (resid  18  and name  HA  ) 0 0 6.5 !13
assign (resid   27 and name HA1   ) (resid   16 and name HE*   ) 0 0 5.5 ! B393
assign (resid   27 and name HA2   ) (resid   16 and name HE*   ) 0 0 5.5 ! B396
assign (resid   17 and name HN   ) (resid   16 and name HE*   ) 0 0 7.0 !
! H BONDS
assign (resid  11 and name  O     )(resid  14 and name  HN    ) 1.88 0.3 0.42
assign (resid  11 and name  O     )(resid  14 and name  N     ) 1.88 0.3 1.32
assign (resid  25 and name  O     )(resid  16 and name  HN    ) 1.88 0.3 0.42
assign (resid  25 and name  O     )(resid  16 and name  N     ) 1.88 0.3 1.32
assign (resid  47 and name  O     )(resid  17 and name  HN    ) 1.88 0.3 0.42
assign (resid  47 and name  O     )(resid  17 and name  N     ) 1.88 0.3 1.32
assign (resid  18 and name  O     )(resid  21 and name  HN    ) 1.88 0.3 0.42
assign (resid  18 and name  O     )(resid  21 and name  N     ) 1.88 0.3 1.32
assign (resid  16 and name  O     )(resid  25 and name  HN    ) 1.88 0.3 0.42
assign (resid  16 and name  O     )(resid  25 and name  N     ) 1.88 0.3 1.32
assign (resid  42 and name  O     )(resid  45 and name  HN    ) 1.88 0.3 0.42
assign (resid  42 and name  O     )(resid  45 and name  N     ) 1.88 0.3 1.32
assign (resid  17 and name  O     )(resid  46 and name  HN    ) 1.88 0.3 0.42
assign (resid  17 and name  O     )(resid  46 and name  N     ) 1.88 0.3 1.32
assign (resid  17 and name  O     )(resid  47 and name  HN    ) 1.88 0.3 0.42
assign (resid  17 and name  O     )(resid  47 and name  N     ) 1.88 0.3 1.32
assign (resid  16 and name  O     )(resid  24 and name  HN    ) 1.88 0.3 0.42
assign (resid  16 and name  O     )(resid  24 and name  N     ) 1.88 0.3 1.32
assign (resid  15 and name  O     )(resid  49 and name  HN    ) 1.88 0.3 0.42
assign (resid  15 and name  O     )(resid  49 and name  N     ) 1.88 0.3 1.32
assign (resid  22 and name  O     )(resid  18 and name  HN    ) 1.88 0.3 0.42
assign (resid  22 and name  O     )(resid  18 and name  N     ) 1.88 0.3 1.32
assign (resid  18 and name  O     )(resid  22 and name  HN    ) 1.88 0.3 0.42
assign (resid  18 and name  O     )(resid  22 and name  N     ) 1.88 0.3 1.32
assign (resid  49 and name  O     )(resid  15 and name  HN    ) 1.88 0.3 0.42
assign (resid  49 and name  O     )(resid  15 and name  N     ) 1.88 0.3 1.32
assign (resid   5 and name  O     )(resid  42 and name  HN    ) 1.88 0.3 0.42
assign (resid   5 and name  O     )(resid  42 and name  N     ) 1.88 0.3 1.32
assign (resid  29 and name  O     )(resid  12 and name  HN    ) 1.88 0.3 0.42
assign (resid  29 and name  O     )(resid  12 and name  N     ) 1.88 0.3 1.32
assign (resid  30 and name  O     )(resid  33 and name  HN    ) 1.88 0.3 0.42
assign (resid  30 and name  O     )(resid  33 and name  N     ) 1.88 0.3 1.32
assign (resid  14 and name  O     )(resid  27 and name  HN    ) 1.88 0.3 0.42
assign (resid  14 and name  O     )(resid  27 and name  N     ) 1.88 0.3 1.32
assign (resid   7 and name  O     )(resid  28 and name  HN    ) 1.88 0.3 0.42
assign (resid   7 and name  O     )(resid  28 and name  N     ) 1.88 0.3 1.32

restraints dihedral reset
! phi angles
  !!   1
 assign (resid   5 and name C )   (resid   6 and name N )
        (resid   6 and name CA)   (resid   6 and name C )   1 -120.0   40.0  2
  !!    2
 assign (resid  13 and name C )   (resid  14 and name N )
        (resid  14 and name CA)   (resid  14 and name C )   1 -120.0   40.0  2
 !!    3
 assign (resid  16 and name C )   (resid  17 and name N )
        (resid  17 and name CA)   (resid  17 and name C )   1 -120.0   40.0  2
!!    4
 assign (resid 23 and name C )    (resid  24 and name N )
        (resid 24 and name CA)    (resid  24 and name C )   1 -120.0   40.0  2
  !!    5
 assign (resid  25 and name C )   (resid  26 and name N )
        (resid  26 and name CA)   (resid  26 and name C )   1 -120.0   40.0  2
 !! 6
assign  (resid 27 and name C )    (resid  28 and name N )
        (resid 28 and name CA)    (resid  28 and name C )   1 -120.0   40.0  2
!! 7
assign  (resid 29 and name C )    (resid  30 and name N )
        (resid 30 and name CA)    (resid  30 and name C )   1 -120.0   40.0  2
!8
assign  (resid 35 and name C )    (resid 36 and name N )
        (resid 36 and name CA)    (resid 36 and name C )    1 -120.0   40.0  2
!9
assign  (resid 36 and name C )    (resid 37 and name N )
        (resid 37 and name CA)    (resid 37 and name C )    1 -120.0   40.0  2
!10
assign  (resid 38 and name C )    (resid 39 and name N )
        (resid 39 and name CA)    (resid 39 and name C )    1 -120.0   40.0  2
!11
assign  (resid 45 and name C )    (resid 46 and name N )
        (resid 46 and name CA)    (resid 46 and name C )    1 -120.0   40.0  2
!12
assign  (resid 47 and name C )    (resid 48 and name N )
        (resid 48 and name CA)    (resid 48 and name C )    1 -120.0   40.0  2
!13
assign  (resid 48 and name C )    (resid 49 and name N )
        (resid 49 and name CA)    (resid 49 and name C )    1 -120.0   40.0  2
!14
assign  (resid 49 and name C )    (resid 50 and name N )
        (resid 50 and name CA)    (resid 50 and name C )    1 -120.0   40.0  2
!15
assign  (resid 51 and name C )    (resid 52 and name N )
        (resid 52 and name CA)    (resid 52 and name C )    1 -120.0   40.0  2
!16
assign  (resid 3 and name C )    (resid 4 and name N )
        (resid 4 and name CA)    (resid 4 and name C )    1 -120.0   40.0  2
!17
assign  (resid 2 and name C )    (resid 3 and name N )
        (resid 3 and name CA)    (resid 3 and name C )    1 -65.0   25.0  2
!18
assign  (resid 4 and name C )    (resid 5 and name N )
        (resid 5 and name CA)    (resid 5 and name C )    1 -65.0   25.0  2
!19
assign  (resid 7 and name C )    (resid 8 and name N )
        (resid 8 and name CA)    (resid 8 and name C )    1 -65.0   25.0  2
!20
assign  (resid 8 and name C )    (resid 9 and name N )
        (resid 9 and name CA)    (resid 9 and name C )    1 -65.0   25.0  2
!21
assign  (resid 18 and name C )    (resid 19 and name N )
        (resid 19 and name CA)    (resid 19 and name C )    1 -65.0   25.0  2
!22
assign  (resid 22 and name C )    (resid 23 and name N )
        (resid 23 and name CA)    (resid 23 and name C )    1 -65.0   25.0  2
!23
assign  (resid 32 and name C )    (resid 33 and name N )
        (resid 33 and name CA)    (resid 33 and name C )    1 -65.0   25.0  2
!24
assign  (resid 43 and name C )    (resid 44 and name N )
        (resid 44 and name CA)    (resid 44 and name C )    1 -65.0   25.0  2
!! CHI dihedral restraints
 assign (resid   4 and name N )   (resid   4 and name CA)
        (resid   4 and name CB)   (resid   4 and name SG)   1  -60.0   30.0  2
 assign (resid   7 and name N )   (resid   7 and name CA)
        (resid   7 and name CB)   (resid   7 and name SG)   1  180.0   30.0  2
 assign (resid   8 and name N )   (resid   8 and name CA)
        (resid   8 and name CB)   (resid   8 and name SG)   1  180.0   30.0  2
 assign (resid  14 and name N )   (resid  14 and name CA)
        (resid  14 and name CB)   (resid  14 and name SG)   1  -60.0   30.0  2
 assign (resid  37 and name N )   (resid  37 and name CA)
        (resid  37 and name CB)   (resid  37 and name SG)   1  -60.0   30.0  2
 assign (resid  41 and name N )   (resid  41 and name CA)
        (resid  41 and name CB)   (resid  41 and name SG)   1  -60.0   30.0  2
 assign (resid  50 and name N )   (resid  50 and name CA)
        (resid  50 and name CB)   (resid  50 and name SG)   1  -60.0   30.0  2
 assign (resid  17 and name N )   (resid  17 and name CA)
        (resid  17 and name CB)   (resid  17 and name CG)   1  180.0   30.0  2
 assign (resid  16 and name N )   (resid  16 and name CA)
        (resid  16 and name CB)   (resid  16 and name CG)   1  -60.0   30.0  2
 assign (resid  33 and name N )   (resid  33 and name CA)
        (resid  33 and name CB)   (resid  33 and name CG)   1   60.0   30.0  2
 assign (resid  42 and name N )   (resid  42 and name CA)
        (resid  42 and name CB)   (resid  42 and name CG)   1  180.0   30.0  2
 assign (resid  30 and name N )   (resid  30 and name CA)
        (resid  30 and name CB)   (resid  30 and name CG)   1  180.0   30.0  2
 assign (resid  20 and name N )   (resid  20 and name CA)
        (resid  20 and name CB)   (resid  20 and name CG)   1   60.0   30.0  2
 assign (resid  40 and name N )   (resid  40 and name CA)
        (resid  40 and name CB)   (resid  40 and name CG)   1  -60.0   30.0  2
 assign (resid  19 and name N )   (resid  19 and name CA)
        (resid  19 and name CB)   (resid  19 and name CG)   1   60.0   30.0  2
 assign (resid  23 and name N )   (resid  23 and name CA)
        (resid  23 and name CB)   (resid  23 and name CG)   1  180.0   30.0  2
 assign (resid  24 and name N )   (resid  24 and name CA)
	(resid  24 and name CB)   (resid  24 and name HB)   1   60.0   30.0  2
scale 100
end


  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  375 H/Q atoms
  Start of MODEL    1
    1   1H    ASP   1          1H        ASP   1  10.292   0.827 -13.523
    2   2H    ASP   1          3H        ASP   1   9.483   1.332 -14.928
    3   3H    ASP   1          2H        ASP   1  10.684   0.134 -15.025
    4    HA   ASP   1           HA       ASP   1  12.376   1.685 -14.414
    5   1HB   ASP   1          2HB       ASP   1  11.786   1.564 -16.835
    6   2HB   ASP   1          1HB       ASP   1  10.537   2.775 -16.604
    7    NH1  ARG   2           NH2      ARG   2  15.166   9.959 -12.913
    8    NH2  ARG   2           NH1      ARG   2  13.828  11.390 -14.087
    9    H    ARG   2           H        ARG   2  12.854   3.309 -13.138
   10    HA   ARG   2           HA       ARG   2  12.619   5.048 -11.620
   11   1HB   ARG   2          2HB       ARG   2  12.369   6.039 -14.100
   12   2HB   ARG   2          1HB       ARG   2  10.740   6.409 -13.576
   13   1HG   ARG   2          2HG       ARG   2  11.656   7.690 -11.642
   14   2HG   ARG   2          1HG       ARG   2  13.289   7.275 -12.135
   15   1HD   ARG   2          2HD       ARG   2  12.865   8.430 -14.344
   16   2HD   ARG   2          1HD       ARG   2  11.292   8.936 -13.733
   17    HE   ARG   2           HE       ARG   2  12.548  10.148 -11.907
   18   1HH1  ARG   2          1HH2      ARG   2  15.250   9.195 -12.272
   19   2HH1  ARG   2          2HH2      ARG   2  15.987  10.389 -13.290
   20   1HH2  ARG   2          2HH1      ARG   2  12.908  11.699 -14.327
   21   2HH2  ARG   2          1HH1      ARG   2  14.628  11.842 -14.482
   22    H    ILE   3           H        ILE   3  10.692   2.900 -11.453
   23    HA   ILE   3           HA       ILE   3   8.068   3.832 -10.849
   24    HB   ILE   3           HB       ILE   3   8.617   1.436 -11.290
   25   1HG1  ILE   3          2HG1      ILE   3   7.328   0.394  -9.391
   26   2HG1  ILE   3          1HG1      ILE   3   7.452   1.891  -8.496
   27   1HG2  ILE   3          1HG2      ILE   3  10.827   1.388 -10.093
   28   2HG2  ILE   3          3HG2      ILE   3   9.972   1.456  -8.563
   29   3HG2  ILE   3          2HG2      ILE   3   9.783   0.065  -9.608
   30   1HD1  ILE   3          3HD1      ILE   3   6.316   1.976 -11.301
   31   2HD1  ILE   3          2HD1      ILE   3   5.304   1.397  -9.991
   32   3HD1  ILE   3          1HD1      ILE   3   5.969   3.021  -9.932
   33    H    CYS   4           H        CYS   4   7.152   4.644  -9.033
   34    HA   CYS   4           HA       CYS   4   8.665   4.674  -6.530
   35   1HB   CYS   4          2HB       CYS   4   8.022   6.972  -8.322
   36   2HB   CYS   4          1HB       CYS   4   7.804   7.256  -6.627
   37    H    THR   5           H        THR   5   6.466   3.237  -7.320
   38    HA   THR   5           HA       THR   5   4.044   4.398  -6.121
   39    HB   THR   5           HB       THR   5   3.296   1.810  -6.359
   40    HG1  THR   5           HG1      THR   5   4.681   0.670  -7.550
   41   1HG2  THR   5          1HG2      THR   5   4.013   3.630  -8.714
   42   2HG2  THR   5          3HG2      THR   5   3.072   2.149  -8.883
   43   3HG2  THR   5          2HG2      THR   5   2.443   3.489  -7.936
   44    H    ASN   6           H        ASN   6   3.023   3.444  -4.285
   45    HA   ASN   6           HA       ASN   6   4.725   1.884  -2.419
   46   1HB   ASN   6          2HB       ASN   6   3.495   4.500  -1.469
   47   2HB   ASN   6          1HB       ASN   6   4.687   3.534  -0.635
   48   1HD2  ASN   6          2HD2      ASN   6   5.878   6.403  -3.110
   49   2HD2  ASN   6          1HD2      ASN   6   4.261   6.177  -2.635
   50    H    CYS   7           H        CYS   7   3.598   1.189  -0.517
   51    HA   CYS   7           HA       CYS   7   1.070   0.053  -1.066
   52   1HB   CYS   7          2HB       CYS   7   2.399  -1.031   0.548
   53   2HB   CYS   7          1HB       CYS   7   2.797   0.449   1.360
   54    H    CYS   8           H        CYS   8   1.889   3.171   0.010
   55    HA   CYS   8           HA       CYS   8  -0.377   3.936   1.530
   56   1HB   CYS   8          2HB       CYS   8   1.421   5.469   1.409
   57   2HB   CYS   8          1HB       CYS   8   1.517   5.362  -0.316
   58    H    ALA   9           H        ALA   9   0.351   4.435  -1.825
   59    HA   ALA   9           HA       ALA   9  -2.391   5.041  -2.630
   60   1HB   ALA   9          3HB       ALA   9   0.191   4.675  -4.203
   61   2HB   ALA   9          2HB       ALA   9  -1.329   5.194  -4.922
   62   3HB   ALA   9          1HB       ALA   9  -0.541   6.194  -3.714
   63    H    GLY  10           H        GLY  10  -0.648   2.951  -4.815
   64   1HA   GLY  10          2HA       GLY  10  -1.037   0.825  -5.581
   65   2HA   GLY  10          1HA       GLY  10  -1.710   0.479  -4.013
   66    H    THR  11           H        THR  11  -3.997   0.375  -3.830
   67    HA   THR  11           HA       THR  11  -5.996   1.464  -5.413
   68    HB   THR  11           HB       THR  11  -6.573  -1.033  -6.507
   69    HG1  THR  11           HG1      THR  11  -4.798  -2.088  -6.903
   70   1HG2  THR  11          1HG2      THR  11  -5.587   1.480  -7.630
   71   2HG2  THR  11          3HG2      THR  11  -4.839   0.133  -8.468
   72   3HG2  THR  11          2HG2      THR  11  -6.584   0.258  -8.391
   73    H    LYS  12           H        LYS  12  -7.457   1.437  -3.798
   74    HA   LYS  12           HA       LYS  12  -7.481  -0.459  -1.673
   75   1HB   LYS  12          2HB       LYS  12  -8.837   1.934  -2.268
   76   2HB   LYS  12          1HB       LYS  12 -10.134   0.778  -2.201
   77   1HG   LYS  12          2HG       LYS  12  -9.799   0.291   0.052
   78   2HG   LYS  12          1HG       LYS  12  -8.099   0.689   0.017
   79   1HD   LYS  12          2HD       LYS  12  -8.961   2.530   1.180
   80   2HD   LYS  12          1HD       LYS  12  -8.922   3.160  -0.452
   81   1HE   LYS  12          2HE       LYS  12 -11.098   3.704   0.393
   82   2HE   LYS  12          1HE       LYS  12 -11.376   2.316  -0.651
   83   1HZ   LYS  12          1HZ       LYS  12 -10.722   1.749   2.117
   84   2HZ   LYS  12          3HZ       LYS  12 -12.243   2.452   1.833
   85   3HZ   LYS  12          2HZ       LYS  12 -11.831   0.986   1.080
   86    H    GLY  13           H        GLY  13  -7.743  -2.497  -2.018
   87   1HA   GLY  13          2HA       GLY  13  -9.688  -4.159  -2.230
   88   2HA   GLY  13          1HA       GLY  13  -9.858  -3.526  -3.865
   89    H    CYS  14           H        CYS  14  -6.753  -3.277  -3.848
   90    HA   CYS  14           HA       CYS  14  -6.281  -6.082  -4.706
   91   1HB   CYS  14          2HB       CYS  14  -4.888  -3.489  -5.380
   92   2HB   CYS  14          1HB       CYS  14  -4.378  -5.056  -5.955
   93    H    LYS  15           H        LYS  15  -4.597  -7.252  -3.986
   94    HA   LYS  15           HA       LYS  15  -3.369  -6.385  -1.438
   95   1HB   LYS  15          2HB       LYS  15  -3.065  -9.057  -2.895
   96   2HB   LYS  15          1HB       LYS  15  -2.715  -8.738  -1.213
   97   1HG   LYS  15          2HG       LYS  15  -5.456  -8.799  -2.541
   98   2HG   LYS  15          1HG       LYS  15  -4.836  -9.894  -1.325
   99   1HD   LYS  15          2HD       LYS  15  -4.586  -7.576   0.063
  100   2HD   LYS  15          1HD       LYS  15  -5.879  -7.089  -1.014
  101   1HE   LYS  15          2HE       LYS  15  -7.014  -8.005   0.864
  102   2HE   LYS  15          1HE       LYS  15  -7.047  -9.319  -0.303
  103   1HZ   LYS  15          3HZ       LYS  15  -4.670  -9.580   1.064
  104   2HZ   LYS  15          2HZ       LYS  15  -5.834  -9.219   2.246
  105   3HZ   LYS  15          1HZ       LYS  15  -6.056 -10.548   1.213
  106    OH   TYR  16           OH       TYR  16  -3.933  -0.052  -2.068
  107    H    TYR  16           H        TYR  16  -1.863  -4.889  -1.995
  108    HA   TYR  16           HA       TYR  16  -0.124  -4.921  -4.226
  109   1HB   TYR  16          2HB       TYR  16   0.675  -3.919  -1.503
  110   2HB   TYR  16          1HB       TYR  16   1.182  -3.267  -3.058
  111    HD1  TYR  16           HD1      TYR  16  -1.774  -3.366  -4.271
  112    HD2  TYR  16           HD2      TYR  16  -0.095  -1.904  -0.656
  113    HE1  TYR  16           HE1      TYR  16  -3.609  -1.794  -4.061
  114    HE2  TYR  16           HE2      TYR  16  -1.941  -0.331  -0.426
  115    HH   TYR  16           HH       TYR  16  -3.617   0.826  -2.267
  116    H    PHE  17           H        PHE  17   1.497  -6.115  -4.736
  117    HA   PHE  17           HA       PHE  17   3.084  -7.556  -2.705
  118   1HB   PHE  17          2HB       PHE  17   1.589  -9.229  -3.114
  119   2HB   PHE  17          1HB       PHE  17   1.182  -8.688  -4.726
  120    HD1  PHE  17           HD1      PHE  17   3.112  -8.992  -6.515
  121    HD2  PHE  17           HD2      PHE  17   2.835 -11.177  -2.872
  122    HE1  PHE  17           HE1      PHE  17   4.502 -10.750  -7.460
  123    HE2  PHE  17           HE2      PHE  17   4.224 -12.936  -3.808
  124    HZ   PHE  17           HZ       PHE  17   5.075 -12.732  -6.135
  125    H    SER  18           H        SER  18   5.025  -8.403  -3.466
  126    HA   SER  18           HA       SER  18   6.221  -6.852  -5.696
  127   1HB   SER  18          2HB       SER  18   7.390  -6.224  -3.744
  128   2HB   SER  18          1HB       SER  18   7.336  -7.850  -3.064
  129    HG   SER  18           HG       SER  18   8.637  -7.499  -5.544
  130    H    ASP  19           H        ASP  19   6.907  -7.845  -7.319
  131    HA   ASP  19           HA       ASP  19   6.483 -10.358  -8.262
  132   1HB   ASP  19          2HB       ASP  19   8.356  -9.960  -9.870
  133   2HB   ASP  19          1HB       ASP  19   7.265  -8.610  -9.747
  134    H    ASP  20           H        ASP  20   9.033  -9.559  -6.045
  135    HA   ASP  20           HA       ASP  20  10.915 -11.577  -6.534
  136   1HB   ASP  20          2HB       ASP  20  11.706 -11.149  -4.316
  137   2HB   ASP  20          1HB       ASP  20  10.941  -9.641  -4.785
  138    H    GLY  21           H        GLY  21   7.827 -11.743  -5.011
  139   1HA   GLY  21          2HA       GLY  21   6.604 -13.915  -5.219
  140   2HA   GLY  21          1HA       GLY  21   8.059 -14.694  -4.597
  141    H    THR  22           H        THR  22   6.892 -11.575  -3.458
  142    HA   THR  22           HA       THR  22   5.795 -12.816  -1.003
  143    HB   THR  22           HB       THR  22   8.082 -10.814  -1.075
  144    HG1  THR  22           HG1      THR  22   9.005 -12.679  -1.103
  145   1HG2  THR  22          1HG2      THR  22   6.375 -11.921   1.239
  146   2HG2  THR  22          3HG2      THR  22   8.011 -11.343   1.507
  147   3HG2  THR  22          2HG2      THR  22   6.777 -10.238   0.936
  148    H    PHE  23           H        PHE  23   4.309 -11.686   0.020
  149    HA   PHE  23           HA       PHE  23   2.894  -9.594  -1.379
  150   1HB   PHE  23          2HB       PHE  23   1.630 -11.217  -0.234
  151   2HB   PHE  23          1HB       PHE  23   2.648 -11.166   1.174
  152    HD1  PHE  23           HD1      PHE  23  -0.025  -9.350  -0.654
  153    HD2  PHE  23           HD2      PHE  23   2.220  -9.601   2.965
  154    HE1  PHE  23           HE1      PHE  23  -1.594  -7.811   0.438
  155    HE2  PHE  23           HE2      PHE  23   0.646  -8.064   4.045
  156    HZ   PHE  23           HZ       PHE  23  -1.257  -7.169   2.786
  157    H    VAL  24           H        VAL  24   2.699  -7.447  -0.806
  158    HA   VAL  24           HA       VAL  24   4.857  -6.328   0.906
  159    HB   VAL  24           HB       VAL  24   3.170  -5.098  -1.336
  160   1HG1  VAL  24          2HG1      VAL  24   5.490  -3.935   0.247
  161   2HG1  VAL  24          1HG1      VAL  24   4.855  -3.245  -1.239
  162   3HG1  VAL  24          3HG1      VAL  24   3.840  -3.317   0.192
  163   1HG2  VAL  24          2HG2      VAL  24   5.026  -6.880  -1.873
  164   2HG2  VAL  24          1HG2      VAL  24   5.089  -5.353  -2.734
  165   3HG2  VAL  24          3HG2      VAL  24   6.160  -5.644  -1.375
  166    H    CYS  25           H        CYS  25   1.466  -5.726   0.109
  167    HA   CYS  25           HA       CYS  25   0.547  -5.542   2.807
  168   1HB   CYS  25          2HB       CYS  25   0.726  -3.435   3.392
  169   2HB   CYS  25          1HB       CYS  25   1.896  -3.250   2.119
  170    H    GLU  26           H        GLU  26  -1.688  -4.620   2.891
  171    HA   GLU  26           HA       GLU  26  -3.221  -5.569   0.575
  172   1HB   GLU  26          2HB       GLU  26  -3.852  -4.861   3.400
  173   2HB   GLU  26          1HB       GLU  26  -5.148  -5.078   2.262
  174   1HG   GLU  26          2HG       GLU  26  -4.994  -7.318   2.251
  175   2HG   GLU  26          1HG       GLU  26  -3.258  -7.325   2.051
  176    H    GLY  27           H        GLY  27  -4.970  -4.603  -0.278
  177   1HA   GLY  27          2HA       GLY  27  -4.794  -2.095  -1.391
  178   2HA   GLY  27          1HA       GLY  27  -6.307  -2.928  -1.140
  179    H    GLU  28           H        GLU  28  -4.643  -0.193  -0.394
  180    HA   GLU  28           HA       GLU  28  -6.469   0.456   1.800
  181   1HB   GLU  28          2HB       GLU  28  -3.570   0.277   1.897
  182   2HB   GLU  28          1HB       GLU  28  -4.006   1.939   2.213
  183   1HG   GLU  28          2HG       GLU  28  -5.406  -0.356   3.650
  184   2HG   GLU  28          1HG       GLU  28  -3.896   0.307   4.240
  185    H    SER  29           H        SER  29  -5.325   1.626  -1.157
  186    HA   SER  29           HA       SER  29  -6.854   4.149  -0.656
  187   1HB   SER  29          2HB       SER  29  -4.634   4.935  -0.289
  188   2HB   SER  29          1HB       SER  29  -4.005   4.012  -1.647
  189    HG   SER  29           HG       SER  29  -6.050   5.887  -2.104
  190    H    ASP  30           H        ASP  30  -8.295   4.335  -2.081
  191    HA   ASP  30           HA       ASP  30  -8.337   2.857  -4.573
  192   1HB   ASP  30          2HB       ASP  30 -10.306   3.460  -2.935
  193   2HB   ASP  30          1HB       ASP  30 -10.314   5.001  -3.761
  194    HA   PRO  31           HA       PRO  31  -6.626   6.064  -7.211
  195   1HB   PRO  31          2HB       PRO  31  -8.511   5.448  -9.350
  196   2HB   PRO  31          1HB       PRO  31  -6.783   5.140  -9.282
  197   1HG   PRO  31          2HG       PRO  31  -8.933   3.233  -8.959
  198   2HG   PRO  31          1HG       PRO  31  -7.205   2.914  -8.909
  199   1HD   PRO  31          2HD       PRO  31  -9.038   2.870  -6.706
  200   2HD   PRO  31          1HD       PRO  31  -7.285   2.671  -6.624
  201    NH1  ARG  32           NH2      ARG  32 -14.017   7.848  -3.130
  202    NH2  ARG  32           NH1      ARG  32 -15.765   9.145  -3.829
  203    H    ARG  32           H        ARG  32 -10.062   5.669  -6.744
  204    HA   ARG  32           HA       ARG  32 -10.751   8.362  -7.576
  205   1HB   ARG  32          2HB       ARG  32 -12.196   6.148  -7.573
  206   2HB   ARG  32          1HB       ARG  32 -12.537   6.572  -5.912
  207   1HG   ARG  32          2HG       ARG  32 -12.882   8.969  -7.524
  208   2HG   ARG  32          1HG       ARG  32 -13.692   7.655  -8.346
  209   1HD   ARG  32          2HD       ARG  32 -15.291   8.660  -6.827
  210   2HD   ARG  32          1HD       ARG  32 -14.848   7.104  -6.132
  211    HE   ARG  32           HE       ARG  32 -13.228   9.391  -5.221
  212   1HH1  ARG  32          1HH2      ARG  32 -13.123   7.442  -3.321
  213   2HH1  ARG  32          2HH2      ARG  32 -14.463   7.687  -2.250
  214   1HH2  ARG  32          2HH1      ARG  32 -16.179   9.708  -4.545
  215   2HH2  ARG  32          1HH1      ARG  32 -16.242   9.008  -2.961
  216    H    ASN  33           H        ASN  33  -9.973   6.797  -4.517
  217    HA   ASN  33           HA       ASN  33 -10.905   9.135  -3.005
  218   1HB   ASN  33          2HB       ASN  33 -10.805   7.823  -1.121
  219   2HB   ASN  33          1HB       ASN  33 -11.071   6.603  -2.329
  220   1HD2  ASN  33          2HD2      ASN  33  -8.545   5.364   0.067
  221   2HD2  ASN  33          1HD2      ASN  33 -10.152   5.899   0.157
  222    HA   PRO  34           HA       PRO  34  -6.776  10.935  -2.963
  223   1HB   PRO  34          2HB       PRO  34  -7.279  12.934  -1.088
  224   2HB   PRO  34          1HB       PRO  34  -7.679  13.042  -2.796
  225   1HG   PRO  34          2HG       PRO  34  -9.501  12.563  -0.484
  226   2HG   PRO  34          1HG       PRO  34  -9.869  13.252  -2.061
  227   1HD   PRO  34          2HD       PRO  34 -10.434  10.563  -1.225
  228   2HD   PRO  34          1HD       PRO  34 -10.551  11.209  -2.873
  229    H    LYS  35           H        LYS  35  -6.028   8.910  -2.010
  230    HA   LYS  35           HA       LYS  35  -5.174   9.287   0.806
  231   1HB   LYS  35          2HB       LYS  35  -7.296   7.754   0.354
  232   2HB   LYS  35          1HB       LYS  35  -6.136   6.571  -0.188
  233   1HG   LYS  35          2HG       LYS  35  -5.152   6.366   1.961
  234   2HG   LYS  35          1HG       LYS  35  -5.801   7.905   2.509
  235   1HD   LYS  35          2HD       LYS  35  -8.118   6.967   2.393
  236   2HD   LYS  35          1HD       LYS  35  -7.466   5.429   1.859
  237   1HE   LYS  35          2HE       LYS  35  -6.517   6.673   4.457
  238   2HE   LYS  35          1HE       LYS  35  -7.988   5.716   4.396
  239   1HZ   LYS  35          3HZ       LYS  35  -6.360   4.117   3.084
  240   2HZ   LYS  35          2HZ       LYS  35  -5.228   4.889   4.083
  241   3HZ   LYS  35          1HZ       LYS  35  -6.546   4.068   4.768
  242    H    ALA  36           H        ALA  36  -3.817   9.785  -1.511
  243    HA   ALA  36           HA       ALA  36  -1.787   7.606  -1.761
  244   1HB   ALA  36          1HB       ALA  36  -2.816   8.373  -3.865
  245   2HB   ALA  36          3HB       ALA  36  -2.304  10.019  -3.530
  246   3HB   ALA  36          2HB       ALA  36  -1.105   8.770  -3.835
  247    H    CYS  37           H        CYS  37   0.451   8.287  -2.003
  248    HA   CYS  37           HA       CYS  37   1.267  10.790  -0.616
  249   1HB   CYS  37          2HB       CYS  37   2.627   8.214   0.176
  250   2HB   CYS  37          1HB       CYS  37   2.530   9.720   1.035
  251    HA   PRO  38           HA       PRO  38   3.884   9.788  -4.306
  252   1HB   PRO  38          2HB       PRO  38   3.707  12.407  -5.354
  253   2HB   PRO  38          1HB       PRO  38   2.760  11.021  -5.866
  254   1HG   PRO  38          2HG       PRO  38   1.893  13.339  -4.262
  255   2HG   PRO  38          1HG       PRO  38   0.906  12.145  -5.092
  256   1HD   PRO  38          2HD       PRO  38   1.440  12.297  -2.261
  257   2HD   PRO  38          1HD       PRO  38   0.515  11.047  -3.110
  258    NH1  ARG  39           NH1      ARG  39   3.630  14.191   3.150
  259    NH2  ARG  39           NH2      ARG  39   4.468  16.069   2.156
  260    H    ARG  39           H        ARG  39   5.367   9.610  -2.524
  261    HA   ARG  39           HA       ARG  39   7.357  11.789  -2.474
  262   1HB   ARG  39          2HB       ARG  39   6.138  10.607   0.071
  263   2HB   ARG  39          1HB       ARG  39   7.527  11.675   0.031
  264   1HG   ARG  39          2HG       ARG  39   6.044  13.421  -1.092
  265   2HG   ARG  39          1HG       ARG  39   4.679  12.353  -0.799
  266   1HD   ARG  39          2HD       ARG  39   5.360  12.367   1.683
  267   2HD   ARG  39          1HD       ARG  39   6.447  13.694   1.272
  268    HE   ARG  39           HE       ARG  39   3.817  14.238   0.251
  269   1HH1  ARG  39          2HH1      ARG  39   3.409  13.218   3.090
  270   2HH1  ARG  39          1HH1      ARG  39   3.444  14.696   3.992
  271   1HH2  ARG  39          1HH2      ARG  39   4.874  16.503   1.351
  272   2HH2  ARG  39          2HH2      ARG  39   4.296  16.606   2.982
  273    H    ASN  40           H        ASN  40   6.491   8.701  -1.014
  274    HA   ASN  40           HA       ASN  40   9.232   7.735  -0.910
  275   1HB   ASN  40          2HB       ASN  40   6.553   6.351  -0.450
  276   2HB   ASN  40          1HB       ASN  40   8.112   5.611  -0.112
  277   1HD2  ASN  40          2HD2      ASN  40   8.575   7.377   2.905
  278   2HD2  ASN  40          1HD2      ASN  40   9.221   6.270   1.794
  279    H    CYS  41           H        CYS  41   9.625   5.459  -1.761
  280    HA   CYS  41           HA       CYS  41   8.489   4.916  -4.425
  281   1HB   CYS  41          2HB       CYS  41  11.443   5.508  -3.934
  282   2HB   CYS  41          1HB       CYS  41  10.803   4.867  -5.427
  283    H    ASP  42           H        ASP  42   8.132   2.801  -4.515
  284    HA   ASP  42           HA       ASP  42   9.825   0.960  -2.899
  285   1HB   ASP  42          2HB       ASP  42   7.335   1.372  -2.247
  286   2HB   ASP  42          1HB       ASP  42   6.929   0.446  -3.677
  287    HA   PRO  43           HA       PRO  43  10.466  -0.136  -7.347
  288   1HB   PRO  43          2HB       PRO  43  13.096  -1.116  -6.682
  289   2HB   PRO  43          1HB       PRO  43  12.671   0.307  -7.620
  290   1HG   PRO  43          2HG       PRO  43  13.670   0.184  -4.886
  291   2HG   PRO  43          1HG       PRO  43  13.399   1.610  -5.877
  292   1HD   PRO  43          2HD       PRO  43  11.819   0.734  -3.643
  293   2HD   PRO  43          1HD       PRO  43  11.469   2.089  -4.730
  294    NH1  ARG  44           NH2      ARG  44  10.965  -1.075  -1.683
  295    NH2  ARG  44           NH1      ARG  44  10.028  -2.567  -0.225
  296    H    ARG  44           H        ARG  44  10.635  -1.892  -4.410
  297    HA   ARG  44           HA       ARG  44  11.045  -4.517  -5.549
  298   1HB   ARG  44          2HB       ARG  44   9.874  -3.609  -2.886
  299   2HB   ARG  44          1HB       ARG  44  10.157  -5.291  -3.293
  300   1HG   ARG  44          2HG       ARG  44  12.541  -4.932  -3.551
  301   2HG   ARG  44          1HG       ARG  44  12.363  -3.194  -3.427
  302   1HD   ARG  44          2HD       ARG  44  11.326  -4.813  -1.104
  303   2HD   ARG  44          1HD       ARG  44  13.068  -4.710  -1.302
  304    HE   ARG  44           HE       ARG  44  12.953  -2.483  -0.606
  305   1HH1  ARG  44          1HH2      ARG  44  11.752  -0.797  -2.233
  306   2HH1  ARG  44          2HH2      ARG  44  10.132  -0.523  -1.687
  307   1HH2  ARG  44          2HH1      ARG  44  10.115  -3.406   0.312
  308   2HH2  ARG  44          1HH1      ARG  44   9.178  -2.043  -0.197
  309    H    ILE  45           H        ILE  45   8.155  -2.652  -4.684
  310    HA   ILE  45           HA       ILE  45   6.211  -4.643  -5.078
  311    HB   ILE  45           HB       ILE  45   5.956  -2.190  -4.223
  312   1HG1  ILE  45          2HG1      ILE  45   3.764  -3.139  -6.117
  313   2HG1  ILE  45          1HG1      ILE  45   4.105  -3.945  -4.600
  314   1HG2  ILE  45          2HG2      ILE  45   6.741  -1.364  -6.698
  315   2HG2  ILE  45          1HG2      ILE  45   5.012  -1.407  -6.966
  316   3HG2  ILE  45          3HG2      ILE  45   5.678  -0.415  -5.682
  317   1HD1  ILE  45          1HD1      ILE  45   3.583  -0.955  -4.664
  318   2HD1  ILE  45          3HD1      ILE  45   2.276  -2.118  -4.569
  319   3HD1  ILE  45          2HD1      ILE  45   3.487  -2.057  -3.299
  320    H    ALA  46           H        ALA  46   4.961  -5.271  -6.845
  321    HA   ALA  46           HA       ALA  46   6.041  -4.586  -9.546
  322   1HB   ALA  46          1HB       ALA  46   5.147  -7.298  -8.501
  323   2HB   ALA  46          3HB       ALA  46   5.650  -6.965 -10.154
  324   3HB   ALA  46          2HB       ALA  46   6.795  -6.788  -8.835
  325    OH   TYR  47           OH       TYR  47   3.902 -11.074  -9.829
  326    H    TYR  47           H        TYR  47   3.289  -5.708  -7.667
  327    HA   TYR  47           HA       TYR  47   1.414  -4.098  -9.125
  328   1HB   TYR  47          2HB       TYR  47   0.126  -6.251 -10.075
  329   2HB   TYR  47          1HB       TYR  47   1.453  -5.578 -10.986
  330    HD1  TYR  47           HD1      TYR  47   0.753  -8.176  -8.362
  331    HD2  TYR  47           HD2      TYR  47   3.249  -6.967 -11.597
  332    HE1  TYR  47           HE1      TYR  47   1.923 -10.324  -8.273
  333    HE2  TYR  47           HE2      TYR  47   4.413  -9.115 -11.501
  334    HH   TYR  47           HH       TYR  47   4.192 -11.295 -10.717
  335    H    GLY  48           H        GLY  48  -0.925  -5.311  -8.741
  336   1HA   GLY  48          2HA       GLY  48  -0.986  -6.016  -5.826
  337   2HA   GLY  48          1HA       GLY  48  -2.171  -4.953  -6.581
  338    H    ILE  49           H        ILE  49  -1.587  -8.055  -5.604
  339    HA   ILE  49           HA       ILE  49  -3.068  -9.474  -7.694
  340    HB   ILE  49           HB       ILE  49  -2.164 -10.297  -4.882
  341   1HG1  ILE  49          2HG1      ILE  49  -0.222  -9.894  -6.323
  342   2HG1  ILE  49          1HG1      ILE  49  -0.407 -11.615  -6.087
  343   1HG2  ILE  49          3HG2      ILE  49  -3.603 -11.844  -7.054
  344   2HG2  ILE  49          2HG2      ILE  49  -2.515 -12.686  -5.962
  345   3HG2  ILE  49          1HG2      ILE  49  -3.902 -11.823  -5.326
  346   1HD1  ILE  49          2HD1      ILE  49  -1.791 -11.504  -8.365
  347   2HD1  ILE  49          1HD1      ILE  49  -0.916  -9.996  -8.580
  348   3HD1  ILE  49          3HD1      ILE  49  -0.040 -11.506  -8.399
  349    H    CYS  50           H        CYS  50  -4.945  -8.380  -7.813
  350    HA   CYS  50           HA       CYS  50  -6.692  -7.942  -5.517
  351   1HB   CYS  50          2HB       CYS  50  -7.671  -7.675  -8.342
  352   2HB   CYS  50          1HB       CYS  50  -7.969  -6.645  -6.972
  353    HA   PRO  51           HA       PRO  51  -9.021 -11.735  -5.858
  354   1HB   PRO  51          2HB       PRO  51 -11.623 -10.568  -5.455
  355   2HB   PRO  51          1HB       PRO  51 -10.610 -11.371  -4.266
  356   1HG   PRO  51          2HG       PRO  51 -11.137  -8.516  -4.554
  357   2HG   PRO  51          1HG       PRO  51 -10.275  -9.335  -3.260
  358   1HD   PRO  51          2HD       PRO  51  -9.141  -7.717  -5.356
  359   2HD   PRO  51          1HD       PRO  51  -8.256  -8.633  -4.122
  360    H    LEU  52           H        LEU  52  -9.915  -8.903  -7.607
  361    HA   LEU  52           HA       LEU  52 -11.556 -10.279  -9.603
  362   1HB   LEU  52          2HB       LEU  52 -10.440  -7.450  -9.362
  363   2HB   LEU  52          1HB       LEU  52 -11.337  -7.967 -10.769
  364    HG   LEU  52           HG       LEU  52 -12.811  -6.777  -9.206
  365   1HD1  LEU  52          1HD1      LEU  52 -13.648  -8.813 -10.556
  366   2HD1  LEU  52          3HD1      LEU  52 -13.633  -9.692  -9.036
  367   3HD1  LEU  52          2HD1      LEU  52 -14.648  -8.273  -9.220
  368   1HD2  LEU  52          3HD2      LEU  52 -11.476  -7.508  -7.105
  369   2HD2  LEU  52          2HD2      LEU  52 -13.221  -7.398  -6.959
  370   3HD2  LEU  52          1HD2      LEU  52 -12.456  -8.966  -7.137
  371    H    ALA  53           H        ALA  53  -8.281  -9.210  -9.204
  372    HA   ALA  53           HA       ALA  53  -7.297 -10.924 -11.329
  373   1HB   ALA  53          3HB       ALA  53  -7.330  -7.899 -11.689
  374   2HB   ALA  53          2HB       ALA  53  -6.227  -8.931 -12.588
  375   3HB   ALA  53          1HB       ALA  53  -7.963  -9.108 -12.792
   
  Start of MODEL           2
 Raw file had  375 H/Q atoms
  Start of MODEL    2
    1   1H    ASP   1          3H        ASP   1  13.339   6.835 -12.352
    2   2H    ASP   1          2H        ASP   1  14.524   5.641 -12.120
    3   3H    ASP   1          1H        ASP   1  13.770   5.808 -13.633
    4    HA   ASP   1           HA       ASP   1  12.856   3.919 -12.534
    5   1HB   ASP   1          2HB       ASP   1  13.421   4.799 -10.189
    6   2HB   ASP   1          1HB       ASP   1  12.008   5.835 -10.306
    7    NH1  ARG   2           NH1      ARG   2   5.646   6.773 -18.514
    8    NH2  ARG   2           NH2      ARG   2   4.998   7.374 -16.409
    9    H    ARG   2           H        ARG   2  10.575   3.457 -12.435
   10    HA   ARG   2           HA       ARG   2   8.755   5.586 -13.445
   11   1HB   ARG   2          2HB       ARG   2   9.819   3.337 -14.986
   12   2HB   ARG   2          1HB       ARG   2   8.091   3.135 -14.818
   13   1HG   ARG   2          2HG       ARG   2   9.308   5.790 -15.686
   14   2HG   ARG   2          1HG       ARG   2   8.934   4.522 -16.836
   15   1HD   ARG   2          2HD       ARG   2   6.568   4.574 -16.263
   16   2HD   ARG   2          1HD       ARG   2   6.860   5.649 -14.897
   17    HE   ARG   2           HE       ARG   2   7.858   7.077 -17.030
   18   1HH1  ARG   2          2HH1      ARG   2   6.353   6.412 -19.122
   19   2HH1  ARG   2          1HH1      ARG   2   4.754   7.034 -18.882
   20   1HH2  ARG   2          1HH2      ARG   2   5.219   7.462 -15.438
   21   2HH2  ARG   2          2HH2      ARG   2   4.096   7.645 -16.744
   22    H    ILE   3           H        ILE   3   9.298   2.592 -11.818
   23    HA   ILE   3           HA       ILE   3   6.493   2.143 -11.114
   24    HB   ILE   3           HB       ILE   3   8.008   0.250 -11.606
   25   1HG1  ILE   3          2HG1      ILE   3   7.731  -1.143  -9.538
   26   2HG1  ILE   3          1HG1      ILE   3   7.213   0.270  -8.651
   27   1HG2  ILE   3          2HG2      ILE   3   9.771   1.380  -9.415
   28   2HG2  ILE   3          1HG2      ILE   3   9.905  -0.279  -9.971
   29   3HG2  ILE   3          3HG2      ILE   3  10.175   1.042 -11.083
   30   1HD1  ILE   3          2HD1      ILE   3   5.885  -0.654 -11.223
   31   2HD1  ILE   3          1HD1      ILE   3   5.335  -1.122  -9.619
   32   3HD1  ILE   3          3HD1      ILE   3   5.294   0.567 -10.106
   33    H    CYS   4           H        CYS   4   6.759   4.512 -10.348
   34    HA   CYS   4           HA       CYS   4   7.878   4.778  -7.657
   35   1HB   CYS   4          2HB       CYS   4   6.879   6.592  -9.810
   36   2HB   CYS   4          1HB       CYS   4   6.769   7.214  -8.182
   37    H    THR   5           H        THR   5   5.804   3.003  -7.908
   38    HA   THR   5           HA       THR   5   3.402   4.198  -6.648
   39    HB   THR   5           HB       THR   5   2.648   1.652  -6.729
   40    HG1  THR   5           HG1      THR   5   3.991   0.470  -8.121
   41   1HG2  THR   5          1HG2      THR   5   3.461   3.046  -9.337
   42   2HG2  THR   5          3HG2      THR   5   2.293   1.737  -9.195
   43   3HG2  THR   5          2HG2      THR   5   1.939   3.308  -8.498
   44    H    ASN   6           H        ASN   6   2.527   2.821  -4.781
   45    HA   ASN   6           HA       ASN   6   4.493   1.617  -2.980
   46   1HB   ASN   6          2HB       ASN   6   3.917   3.385  -1.133
   47   2HB   ASN   6          1HB       ASN   6   5.127   3.786  -2.333
   48   1HD2  ASN   6          2HD2      ASN   6   3.371   6.677  -3.217
   49   2HD2  ASN   6          1HD2      ASN   6   4.859   5.884  -3.001
   50    H    CYS   7           H        CYS   7   3.529   1.041  -0.898
   51    HA   CYS   7           HA       CYS   7   1.158  -0.443  -1.110
   52   1HB   CYS   7          2HB       CYS   7   2.683  -1.152   0.485
   53   2HB   CYS   7          1HB       CYS   7   2.918   0.450   1.124
   54    H    CYS   8           H        CYS   8   1.454   2.818  -0.700
   55    HA   CYS   8           HA       CYS   8  -0.995   3.277   0.840
   56   1HB   CYS   8          2HB       CYS   8   0.866   4.585   1.315
   57   2HB   CYS   8          1HB       CYS   8   1.216   4.888  -0.332
   58    H    ALA   9           H        ALA   9   0.170   4.529  -2.195
   59    HA   ALA   9           HA       ALA   9  -2.175   5.602  -3.225
   60   1HB   ALA   9          3HB       ALA   9   0.075   6.123  -4.017
   61   2HB   ALA   9          2HB       ALA   9   0.191   4.545  -4.778
   62   3HB   ALA   9          1HB       ALA   9  -0.982   5.718  -5.355
   63    H    GLY  10           H        GLY  10  -1.052   2.317  -3.927
   64   1HA   GLY  10          2HA       GLY  10  -2.212   1.288  -6.014
   65   2HA   GLY  10          1HA       GLY  10  -2.479   0.472  -4.511
   66    H    THR  11           H        THR  11  -4.502   0.191  -3.797
   67    HA   THR  11           HA       THR  11  -6.791   1.770  -4.392
   68    HB   THR  11           HB       THR  11  -7.825  -0.333  -5.912
   69    HG1  THR  11           HG1      THR  11  -5.374  -0.879  -5.821
   70   1HG2  THR  11          1HG2      THR  11  -7.203   2.387  -6.476
   71   2HG2  THR  11          3HG2      THR  11  -6.379   1.476  -7.729
   72   3HG2  THR  11          2HG2      THR  11  -8.106   1.289  -7.498
   73    H    LYS  12           H        LYS  12  -7.908   1.431  -2.635
   74    HA   LYS  12           HA       LYS  12  -7.774  -0.651  -0.844
   75   1HB   LYS  12          2HB       LYS  12  -9.580   1.567  -1.351
   76   2HB   LYS  12          1HB       LYS  12 -10.550   0.167  -0.969
   77   1HG   LYS  12          2HG       LYS  12  -9.055  -0.185   1.086
   78   2HG   LYS  12          1HG       LYS  12  -8.337   1.372   0.722
   79   1HD   LYS  12          2HD       LYS  12 -10.044   1.958   2.237
   80   2HD   LYS  12          1HD       LYS  12 -10.804   2.260   0.686
   81   1HE   LYS  12          2HE       LYS  12 -11.742  -0.153   0.843
   82   2HE   LYS  12          1HE       LYS  12 -11.224  -0.122   2.521
   83   1HZ   LYS  12          2HZ       LYS  12 -12.651   2.233   1.829
   84   2HZ   LYS  12          1HZ       LYS  12 -13.566   0.842   1.503
   85   3HZ   LYS  12          3HZ       LYS  12 -12.950   1.111   3.063
   86    H    GLY  13           H        GLY  13  -7.919  -2.721  -1.197
   87   1HA   GLY  13          2HA       GLY  13  -9.686  -4.534  -1.468
   88   2HA   GLY  13          1HA       GLY  13 -10.017  -3.819  -3.040
   89    H    CYS  14           H        CYS  14  -7.201  -3.254  -3.668
   90    HA   CYS  14           HA       CYS  14  -6.499  -5.922  -4.654
   91   1HB   CYS  14          2HB       CYS  14  -5.184  -3.194  -4.880
   92   2HB   CYS  14          1HB       CYS  14  -4.516  -4.622  -5.618
   93    H    LYS  15           H        LYS  15  -3.889  -6.303  -4.453
   94    HA   LYS  15           HA       LYS  15  -3.098  -5.857  -1.608
   95   1HB   LYS  15          2HB       LYS  15  -3.328  -8.525  -3.047
   96   2HB   LYS  15          1HB       LYS  15  -2.283  -8.325  -1.661
   97   1HG   LYS  15          2HG       LYS  15  -4.017  -8.027  -0.166
   98   2HG   LYS  15          1HG       LYS  15  -5.125  -7.373  -1.352
   99   1HD   LYS  15          2HD       LYS  15  -5.424  -9.605  -2.358
  100   2HD   LYS  15          1HD       LYS  15  -4.258 -10.281  -1.231
  101   1HE   LYS  15          2HE       LYS  15  -6.276 -10.760  -0.127
  102   2HE   LYS  15          1HE       LYS  15  -5.848  -9.233   0.622
  103   1HZ   LYS  15          2HZ       LYS  15  -7.240  -8.352  -1.467
  104   2HZ   LYS  15          1HZ       LYS  15  -7.975  -9.862  -1.240
  105   3HZ   LYS  15          3HZ       LYS  15  -7.934  -8.738   0.029
  106    OH   TYR  16           OH       TYR  16  -2.355   0.810  -2.177
  107    H    TYR  16           H        TYR  16  -1.356  -4.663  -1.847
  108    HA   TYR  16           HA       TYR  16   0.448  -4.640  -4.046
  109   1HB   TYR  16          2HB       TYR  16   1.185  -4.033  -1.158
  110   2HB   TYR  16          1HB       TYR  16   2.021  -3.459  -2.586
  111    HD1  TYR  16           HD1      TYR  16   1.020  -1.654  -3.974
  112    HD2  TYR  16           HD2      TYR  16  -0.950  -3.104  -0.494
  113    HE1  TYR  16           HE1      TYR  16  -0.431   0.308  -3.975
  114    HE2  TYR  16           HE2      TYR  16  -2.392  -1.125  -0.502
  115    HH   TYR  16           HH       TYR  16  -1.798   1.586  -2.267
  116    H    PHE  17           H        PHE  17   2.037  -6.015  -4.656
  117    HA   PHE  17           HA       PHE  17   3.288  -7.807  -2.682
  118   1HB   PHE  17          2HB       PHE  17   1.602  -9.210  -3.274
  119   2HB   PHE  17          1HB       PHE  17   1.402  -8.561  -4.889
  120    HD1  PHE  17           HD2      PHE  17   3.338  -9.105  -6.564
  121    HD2  PHE  17           HD1      PHE  17   2.655 -11.267  -2.962
  122    HE1  PHE  17           HE2      PHE  17   4.579 -10.998  -7.456
  123    HE2  PHE  17           HE1      PHE  17   3.894 -13.156  -3.839
  124    HZ   PHE  17           HZ       PHE  17   4.878 -13.031  -6.127
  125    H    SER  18           H        SER  18   5.146  -8.810  -3.394
  126    HA   SER  18           HA       SER  18   6.646  -7.321  -5.476
  127   1HB   SER  18          2HB       SER  18   7.417  -7.212  -3.045
  128   2HB   SER  18          1HB       SER  18   7.852  -8.915  -3.197
  129    HG   SER  18           HG       SER  18   8.907  -7.954  -5.318
  130    H    ASP  19           H        ASP  19   7.237  -8.338  -7.133
  131    HA   ASP  19           HA       ASP  19   6.554 -10.673  -8.270
  132   1HB   ASP  19          2HB       ASP  19   8.503 -10.405  -9.779
  133   2HB   ASP  19          1HB       ASP  19   7.673  -8.894  -9.494
  134    H    ASP  20           H        ASP  20   9.313 -10.479  -6.107
  135    HA   ASP  20           HA       ASP  20  10.616 -12.891  -6.818
  136   1HB   ASP  20          2HB       ASP  20  11.481 -12.845  -4.430
  137   2HB   ASP  20          1HB       ASP  20  11.679 -11.332  -5.296
  138    H    GLY  21           H        GLY  21   7.697 -12.385  -5.024
  139   1HA   GLY  21          2HA       GLY  21   6.158 -14.397  -5.107
  140   2HA   GLY  21          1HA       GLY  21   7.504 -15.320  -4.466
  141    H    THR  22           H        THR  22   6.624 -12.051  -3.389
  142    HA   THR  22           HA       THR  22   5.534 -13.215  -0.884
  143    HB   THR  22           HB       THR  22   7.717 -11.127  -0.983
  144    HG1  THR  22           HG1      THR  22   8.741 -12.878  -1.364
  145   1HG2  THR  22          1HG2      THR  22   6.451 -12.789   1.314
  146   2HG2  THR  22          3HG2      THR  22   7.869 -11.776   1.528
  147   3HG2  THR  22          2HG2      THR  22   6.317 -11.047   1.161
  148    H    PHE  23           H        PHE  23   3.950 -12.112   0.033
  149    HA   PHE  23           HA       PHE  23   2.697  -9.905  -1.344
  150   1HB   PHE  23          2HB       PHE  23   1.279 -11.453  -0.284
  151   2HB   PHE  23          1HB       PHE  23   2.280 -11.562   1.127
  152    HD1  PHE  23           HD1      PHE  23   2.206  -9.788   2.877
  153    HD2  PHE  23           HD2      PHE  23  -0.441  -9.671  -0.463
  154    HE1  PHE  23           HE1      PHE  23   0.801  -8.156   4.045
  155    HE2  PHE  23           HE2      PHE  23  -1.842  -8.038   0.716
  156    HZ   PHE  23           HZ       PHE  23  -1.220  -7.282   2.974
  157    H    VAL  24           H        VAL  24   2.769  -7.761  -0.789
  158    HA   VAL  24           HA       VAL  24   4.885  -6.925   1.119
  159    HB   VAL  24           HB       VAL  24   3.519  -5.424  -1.170
  160   1HG1  VAL  24          1HG1      VAL  24   5.775  -4.663   0.709
  161   2HG1  VAL  24          3HG1      VAL  24   5.575  -3.903  -0.857
  162   3HG1  VAL  24          2HG1      VAL  24   4.311  -3.751   0.348
  163   1HG2  VAL  24          3HG2      VAL  24   5.152  -7.439  -1.664
  164   2HG2  VAL  24          2HG2      VAL  24   5.439  -5.918  -2.483
  165   3HG2  VAL  24          1HG2      VAL  24   6.407  -6.365  -1.088
  166    H    CYS  25           H        CYS  25   1.609  -5.981   0.152
  167    HA   CYS  25           HA       CYS  25   0.705  -5.614   2.865
  168   1HB   CYS  25          2HB       CYS  25   1.139  -3.521   3.284
  169   2HB   CYS  25          1HB       CYS  25   2.145  -3.464   1.872
  170    H    GLU  26           H        GLU  26  -1.452  -4.234   2.783
  171    HA   GLU  26           HA       GLU  26  -3.059  -5.340   0.533
  172   1HB   GLU  26          2HB       GLU  26  -3.579  -4.792   3.411
  173   2HB   GLU  26          1HB       GLU  26  -4.926  -4.566   2.334
  174   1HG   GLU  26          2HG       GLU  26  -4.698  -6.833   1.422
  175   2HG   GLU  26          1HG       GLU  26  -3.308  -7.141   2.449
  176    H    GLY  27           H        GLY  27  -4.574  -4.237  -0.449
  177   1HA   GLY  27          2HA       GLY  27  -4.165  -1.626  -1.400
  178   2HA   GLY  27          1HA       GLY  27  -5.715  -2.460  -1.457
  179    H    GLU  28           H        GLU  28  -4.075   0.118  -0.110
  180    HA   GLU  28           HA       GLU  28  -6.149   0.444   2.012
  181   1HB   GLU  28          2HB       GLU  28  -3.199   1.060   1.961
  182   2HB   GLU  28          1HB       GLU  28  -4.233   1.971   3.046
  183   1HG   GLU  28          2HG       GLU  28  -4.833   0.079   4.316
  184   2HG   GLU  28          1HG       GLU  28  -4.482  -1.048   3.024
  185    H    SER  29           H        SER  29  -4.927   1.945  -0.795
  186    HA   SER  29           HA       SER  29  -5.558   4.686  -0.157
  187   1HB   SER  29          2HB       SER  29  -5.933   4.460  -2.952
  188   2HB   SER  29          1HB       SER  29  -4.403   4.809  -2.156
  189    HG   SER  29           HG       SER  29  -5.361   2.436  -3.214
  190    H    ASP  30           H        ASP  30  -7.522   5.143   0.601
  191    HA   ASP  30           HA       ASP  30  -9.933   3.867  -0.494
  192   1HB   ASP  30          2HB       ASP  30  -9.779   4.161   1.935
  193   2HB   ASP  30          1HB       ASP  30  -9.547   5.880   1.748
  194    HA   PRO  31           HA       PRO  31 -10.437   7.422  -3.217
  195   1HB   PRO  31          2HB       PRO  31 -12.889   6.670  -4.335
  196   2HB   PRO  31          1HB       PRO  31 -11.319   6.090  -4.860
  197   1HG   PRO  31          2HG       PRO  31 -13.385   4.673  -3.258
  198   2HG   PRO  31          1HG       PRO  31 -12.112   3.996  -4.265
  199   1HD   PRO  31          2HD       PRO  31 -12.097   4.186  -1.406
  200   2HD   PRO  31          1HD       PRO  31 -10.732   3.723  -2.441
  201    NH1  ARG  32           NH1      ARG  32 -15.563   6.310  -1.124
  202    NH2  ARG  32           NH2      ARG  32 -16.004   7.683  -2.895
  203    H    ARG  32           H        ARG  32 -10.775   8.298  -0.826
  204    HA   ARG  32           HA       ARG  32 -12.717  10.294  -0.869
  205   1HB   ARG  32          2HB       ARG  32 -13.782   7.759   0.052
  206   2HB   ARG  32          1HB       ARG  32 -13.636   8.777   1.467
  207   1HG   ARG  32          2HG       ARG  32 -14.923  10.531   0.442
  208   2HG   ARG  32          1HG       ARG  32 -14.909   9.730  -1.115
  209   1HD   ARG  32          2HD       ARG  32 -16.022   8.027   1.080
  210   2HD   ARG  32          1HD       ARG  32 -16.949   9.484   0.762
  211    HE   ARG  32           HE       ARG  32 -17.769   8.333  -1.087
  212   1HH1  ARG  32          1HH1      ARG  32 -15.018   5.704  -1.704
  213   2HH1  ARG  32          2HH1      ARG  32 -15.677   6.105  -0.152
  214   1HH2  ARG  32          1HH2      ARG  32 -16.449   8.505  -3.250
  215   2HH2  ARG  32          2HH2      ARG  32 -15.469   7.100  -3.505
  216    H    ASN  33           H        ASN  33 -10.468   8.271   0.869
  217    HA   ASN  33           HA       ASN  33 -10.165  10.278   3.019
  218   1HB   ASN  33          2HB       ASN  33  -9.039   8.640   4.229
  219   2HB   ASN  33          1HB       ASN  33  -9.991   7.606   3.192
  220   1HD2  ASN  33          2HD2      ASN  33  -6.959   7.009   1.085
  221   2HD2  ASN  33          1HD2      ASN  33  -8.474   7.697   0.784
  222    HA   PRO  34           HA       PRO  34  -6.472  11.991   1.054
  223   1HB   PRO  34          2HB       PRO  34  -5.269  13.103   3.315
  224   2HB   PRO  34          1HB       PRO  34  -6.562  13.852   2.391
  225   1HG   PRO  34          2HG       PRO  34  -6.713  12.535   5.056
  226   2HG   PRO  34          1HG       PRO  34  -7.791  13.731   4.347
  227   1HD   PRO  34          2HD       PRO  34  -8.264  10.894   4.526
  228   2HD   PRO  34          1HD       PRO  34  -9.250  12.091   3.667
  229    H    LYS  35           H        LYS  35  -5.933   9.610   0.743
  230    HA   LYS  35           HA       LYS  35  -4.272   8.192   2.575
  231   1HB   LYS  35          2HB       LYS  35  -3.537   6.920   0.449
  232   2HB   LYS  35          1HB       LYS  35  -5.231   6.880   0.836
  233   1HG   LYS  35          2HG       LYS  35  -4.861   9.197  -0.843
  234   2HG   LYS  35          1HG       LYS  35  -3.866   7.943  -1.532
  235   1HD   LYS  35          2HD       LYS  35  -5.635   6.699  -2.240
  236   2HD   LYS  35          1HD       LYS  35  -6.590   6.979  -0.802
  237   1HE   LYS  35          2HE       LYS  35  -7.705   8.048  -2.678
  238   2HE   LYS  35          1HE       LYS  35  -7.042   9.330  -1.675
  239   1HZ   LYS  35          1HZ       LYS  35  -5.730   8.193  -4.074
  240   2HZ   LYS  35          3HZ       LYS  35  -6.596   9.655  -4.029
  241   3HZ   LYS  35          2HZ       LYS  35  -5.160   9.487  -3.135
  242    H    ALA  36           H        ALA  36  -2.613   9.320   3.386
  243    HA   ALA  36           HA       ALA  36  -0.776  10.896   1.741
  244   1HB   ALA  36          3HB       ALA  36  -0.604  10.030   4.661
  245   2HB   ALA  36          2HB       ALA  36   0.430  11.229   3.893
  246   3HB   ALA  36          1HB       ALA  36  -1.287  11.546   4.088
  247    H    CYS  37           H        CYS  37   1.044  10.209   0.846
  248    HA   CYS  37           HA       CYS  37   2.025   7.442   1.445
  249   1HB   CYS  37          2HB       CYS  37   2.130   8.989  -1.150
  250   2HB   CYS  37          1HB       CYS  37   2.764   7.386  -0.900
  251    HA   PRO  38           HA       PRO  38   5.764   9.982   2.384
  252   1HB   PRO  38          2HB       PRO  38   6.247   8.612   4.791
  253   2HB   PRO  38          1HB       PRO  38   5.541  10.215   4.640
  254   1HG   PRO  38          2HG       PRO  38   4.210   7.659   5.313
  255   2HG   PRO  38          1HG       PRO  38   3.635   9.300   5.569
  256   1HD   PRO  38          2HD       PRO  38   2.770   7.484   3.522
  257   2HD   PRO  38          1HD       PRO  38   2.335   9.198   3.679
  258    NH1  ARG  39           NH2      ARG  39   5.695   5.227   4.379
  259    NH2  ARG  39           NH1      ARG  39   6.412   3.411   5.567
  260    H    ARG  39           H        ARG  39   4.792   6.998   1.522
  261    HA   ARG  39           HA       ARG  39   7.267   5.503   1.878
  262   1HB   ARG  39          2HB       ARG  39   4.723   4.694   1.610
  263   2HB   ARG  39          1HB       ARG  39   5.122   4.742  -0.089
  264   1HG   ARG  39          2HG       ARG  39   5.793   2.563   0.334
  265   2HG   ARG  39          1HG       ARG  39   7.296   3.349   0.763
  266   1HD   ARG  39          2HD       ARG  39   5.071   2.692   2.759
  267   2HD   ARG  39          1HD       ARG  39   6.515   1.717   2.515
  268    HE   ARG  39           HE       ARG  39   7.818   3.819   3.176
  269   1HH1  ARG  39          1HH2      ARG  39   5.647   5.715   3.508
  270   2HH1  ARG  39          2HH2      ARG  39   5.261   5.612   5.193
  271   1HH2  ARG  39          2HH1      ARG  39   6.903   2.540   5.585
  272   2HH2  ARG  39          1HH1      ARG  39   5.991   3.764   6.402
  273    H    ASN  40           H        ASN  40   5.916   7.583  -0.512
  274    HA   ASN  40           HA       ASN  40   6.682   8.341  -2.593
  275   1HB   ASN  40          2HB       ASN  40   9.343   7.585  -1.284
  276   2HB   ASN  40          1HB       ASN  40   9.196   8.594  -2.713
  277   1HD2  ASN  40          2HD2      ASN  40   8.937  11.436  -0.717
  278   2HD2  ASN  40          1HD2      ASN  40   9.607  10.674  -2.079
  279    H    CYS  41           H        CYS  41   8.826   7.525  -4.115
  280    HA   CYS  41           HA       CYS  41   7.741   5.480  -5.701
  281   1HB   CYS  41          2HB       CYS  41  10.621   6.431  -5.441
  282   2HB   CYS  41          1HB       CYS  41  10.039   5.424  -6.749
  283    H    ASP  42           H        ASP  42   7.695   3.315  -5.539
  284    HA   ASP  42           HA       ASP  42   9.639   1.952  -3.737
  285   1HB   ASP  42          2HB       ASP  42   7.150   2.258  -2.834
  286   2HB   ASP  42          1HB       ASP  42   6.741   1.052  -4.027
  287    HA   PRO  43           HA       PRO  43   9.854  -0.061  -7.869
  288   1HB   PRO  43          2HB       PRO  43  12.709  -0.362  -7.340
  289   2HB   PRO  43          1HB       PRO  43  11.932   0.533  -8.631
  290   1HG   PRO  43          2HG       PRO  43  13.225   1.615  -6.304
  291   2HG   PRO  43          1HG       PRO  43  12.377   2.517  -7.547
  292   1HD   PRO  43          2HD       PRO  43  11.511   1.971  -4.824
  293   2HD   PRO  43          1HD       PRO  43  10.691   2.963  -6.039
  294    NH1  ARG  44           NH1      ARG  44   8.401  -2.350  -0.513
  295    NH2  ARG  44           NH2      ARG  44  10.181  -1.123   0.217
  296    H    ARG  44           H        ARG  44  10.640  -0.779  -4.657
  297    HA   ARG  44           HA       ARG  44  11.544  -3.466  -4.840
  298   1HB   ARG  44          2HB       ARG  44  11.257  -1.801  -2.776
  299   2HB   ARG  44          1HB       ARG  44   9.681  -2.552  -2.648
  300   1HG   ARG  44          2HG       ARG  44  10.597  -4.727  -2.265
  301   2HG   ARG  44          1HG       ARG  44  12.208  -4.222  -2.745
  302   1HD   ARG  44          2HD       ARG  44  12.216  -4.281  -0.331
  303   2HD   ARG  44          1HD       ARG  44  12.175  -2.579  -0.757
  304    HE   ARG  44           HE       ARG  44  10.043  -4.097   0.551
  305   1HH1  ARG  44          2HH1      ARG  44   8.012  -3.239  -0.752
  306   2HH1  ARG  44          1HH1      ARG  44   7.843  -1.522  -0.584
  307   1HH2  ARG  44          1HH2      ARG  44  11.127  -1.085   0.535
  308   2HH2  ARG  44          2HH2      ARG  44   9.640  -0.286   0.142
  309    H    ILE  45           H        ILE  45   8.304  -2.084  -4.625
  310    HA   ILE  45           HA       ILE  45   6.886  -4.587  -4.745
  311    HB   ILE  45           HB       ILE  45   6.210  -1.644  -4.910
  312   1HG1  ILE  45          2HG1      ILE  45   4.676  -3.864  -3.529
  313   2HG1  ILE  45          1HG1      ILE  45   6.209  -3.320  -2.882
  314   1HG2  ILE  45          3HG2      ILE  45   4.254  -3.772  -5.925
  315   2HG2  ILE  45          2HG2      ILE  45   3.811  -2.124  -5.522
  316   3HG2  ILE  45          1HG2      ILE  45   4.898  -2.428  -6.857
  317   1HD1  ILE  45          2HD1      ILE  45   5.291  -0.948  -2.833
  318   2HD1  ILE  45          1HD1      ILE  45   3.729  -1.594  -3.315
  319   3HD1  ILE  45          3HD1      ILE  45   4.431  -2.052  -1.776
  320    H    ALA  46           H        ALA  46   5.697  -5.397  -6.482
  321    HA   ALA  46           HA       ALA  46   6.920  -4.852  -9.160
  322   1HB   ALA  46          1HB       ALA  46   5.654  -7.348  -7.969
  323   2HB   ALA  46          3HB       ALA  46   6.141  -7.205  -9.655
  324   3HB   ALA  46          2HB       ALA  46   7.345  -7.087  -8.384
  325    OH   TYR  47           OH       TYR  47   4.181 -10.991  -9.903
  326    H    TYR  47           H        TYR  47   3.940  -5.687  -7.493
  327    HA   TYR  47           HA       TYR  47   2.325  -3.838  -8.979
  328   1HB   TYR  47          2HB       TYR  47   0.892  -5.815 -10.089
  329   2HB   TYR  47          1HB       TYR  47   2.320  -5.235 -10.903
  330    HD1  TYR  47           HD1      TYR  47   1.238  -7.867  -8.451
  331    HD2  TYR  47           HD2      TYR  47   4.013  -6.766 -11.489
  332    HE1  TYR  47           HE1      TYR  47   2.190 -10.121  -8.411
  333    HE2  TYR  47           HE2      TYR  47   4.958  -9.019 -11.441
  334    HH   TYR  47           HH       TYR  47   3.722 -11.506  -9.237
  335    H    GLY  48           H        GLY  48  -0.135  -4.783  -8.766
  336   1HA   GLY  48          2HA       GLY  48  -0.438  -5.575  -5.890
  337   2HA   GLY  48          1HA       GLY  48  -1.488  -4.413  -6.698
  338    H    ILE  49           H        ILE  49  -1.198  -7.580  -5.783
  339    HA   ILE  49           HA       ILE  49  -2.643  -8.832  -7.997
  340    HB   ILE  49           HB       ILE  49  -1.961  -9.756  -5.159
  341   1HG1  ILE  49          2HG1      ILE  49   0.050  -9.480  -6.554
  342   2HG1  ILE  49          1HG1      ILE  49  -0.246 -11.177  -6.266
  343   1HG2  ILE  49          3HG2      ILE  49  -3.454 -11.162  -7.377
  344   2HG2  ILE  49          2HG2      ILE  49  -2.445 -12.105  -6.293
  345   3HG2  ILE  49          1HG2      ILE  49  -3.772 -11.157  -5.651
  346   1HD1  ILE  49          1HD1      ILE  49  -1.558 -11.011  -8.611
  347   2HD1  ILE  49          3HD1      ILE  49  -0.505  -9.622  -8.829
  348   3HD1  ILE  49          2HD1      ILE  49   0.181 -11.214  -8.556
  349    H    CYS  50           H        CYS  50  -4.578  -8.029  -8.303
  350    HA   CYS  50           HA       CYS  50  -6.359  -7.305  -6.072
  351   1HB   CYS  50          2HB       CYS  50  -6.807  -7.039  -9.039
  352   2HB   CYS  50          1HB       CYS  50  -7.742  -6.275  -7.791
  353    HA   PRO  51           HA       PRO  51  -8.477 -11.301  -6.605
  354   1HB   PRO  51          2HB       PRO  51 -10.558 -10.475  -4.787
  355   2HB   PRO  51          1HB       PRO  51  -9.235 -11.580  -4.467
  356   1HG   PRO  51          2HG       PRO  51  -9.549  -8.853  -3.514
  357   2HG   PRO  51          1HG       PRO  51  -8.282 -10.002  -3.113
  358   1HD   PRO  51          2HD       PRO  51  -8.081  -7.687  -4.828
  359   2HD   PRO  51          1HD       PRO  51  -6.799  -8.845  -4.432
  360    H    LEU  52           H        LEU  52 -10.426  -8.432  -6.060
  361    HA   LEU  52           HA       LEU  52 -11.853  -8.841  -8.663
  362   1HB   LEU  52          2HB       LEU  52 -12.881  -8.213  -5.881
  363   2HB   LEU  52          1HB       LEU  52 -13.687  -7.428  -7.216
  364    HG   LEU  52           HG       LEU  52 -14.855  -9.493  -6.617
  365   1HD1  LEU  52          2HD1      LEU  52 -14.574  -8.726  -9.096
  366   2HD1  LEU  52          1HD1      LEU  52 -13.516 -10.116  -9.267
  367   3HD1  LEU  52          3HD1      LEU  52 -15.190 -10.339  -8.795
  368   1HD2  LEU  52          3HD2      LEU  52 -12.585 -10.626  -5.860
  369   2HD2  LEU  52          2HD2      LEU  52 -13.900 -11.614  -6.463
  370   3HD2  LEU  52          1HD2      LEU  52 -12.551 -11.222  -7.511
  371    H    ALA  53           H        ALA  53 -11.031  -6.575  -6.124
  372    HA   ALA  53           HA       ALA  53 -10.078  -4.566  -8.073
  373   1HB   ALA  53          3HB       ALA  53 -12.557  -4.140  -7.651
  374   2HB   ALA  53          2HB       ALA  53 -12.188  -3.913  -5.949
  375   3HB   ALA  53          1HB       ALA  53 -11.536  -2.804  -7.147
   
  Start of MODEL           3
 Raw file had  375 H/Q atoms
  Start of MODEL    3
    1   1H    ASP   1          3H        ASP   1  12.818   1.589  -8.608
    2   2H    ASP   1          2H        ASP   1  14.040   1.608  -7.430
    3   3H    ASP   1          1H        ASP   1  13.131   3.012  -7.734
    4    HA   ASP   1           HA       ASP   1  15.270   3.244  -8.742
    5   1HB   ASP   1          2HB       ASP   1  16.146   1.622 -10.307
    6   2HB   ASP   1          1HB       ASP   1  15.564   0.676  -8.951
    7    NH1  ARG   2           NH1      ARG   2  16.242   2.014 -14.086
    8    NH2  ARG   2           NH2      ARG   2  16.673   3.213 -15.971
    9    H    ARG   2           H        ARG   2  12.371   1.997 -10.199
   10    HA   ARG   2           HA       ARG   2  12.077   4.408 -11.926
   11   1HB   ARG   2          2HB       ARG   2  11.963   1.471 -12.735
   12   2HB   ARG   2          1HB       ARG   2  11.073   2.678 -13.647
   13   1HG   ARG   2          2HG       ARG   2  13.064   3.851 -14.274
   14   2HG   ARG   2          1HG       ARG   2  14.042   3.009 -13.085
   15   1HD   ARG   2          2HD       ARG   2  13.846   0.893 -14.330
   16   2HD   ARG   2          1HD       ARG   2  12.679   1.614 -15.426
   17    HE   ARG   2           HE       ARG   2  14.469   2.456 -16.641
   18   1HH1  ARG   2          2HH1      ARG   2  15.618   1.477 -13.521
   19   2HH1  ARG   2          1HH1      ARG   2  17.173   2.184 -13.766
   20   1HH2  ARG   2          1HH2      ARG   2  16.362   3.578 -16.849
   21   2HH2  ARG   2          2HH2      ARG   2  17.603   3.394 -15.655
   22    H    ILE   3           H        ILE   3  10.612   1.383 -10.850
   23    HA   ILE   3           HA       ILE   3   7.908   2.378 -10.838
   24    HB   ILE   3           HB       ILE   3   8.365   0.000 -11.205
   25   1HG1  ILE   3          2HG1      ILE   3   7.019  -1.085  -9.331
   26   2HG1  ILE   3          1HG1      ILE   3   7.021   0.456  -8.508
   27   1HG2  ILE   3          3HG2      ILE   3  10.356   0.279  -9.175
   28   2HG2  ILE   3          2HG2      ILE   3   9.233  -0.957  -8.630
   29   3HG2  ILE   3          1HG2      ILE   3  10.025  -1.113 -10.184
   30   1HD1  ILE   3          3HD1      ILE   3   6.038   0.051 -11.363
   31   2HD1  ILE   3          2HD1      ILE   3   4.984   0.090  -9.955
   32   3HD1  ILE   3          1HD1      ILE   3   5.896   1.522 -10.413
   33    H    CYS   4           H        CYS   4   8.165   4.269  -9.661
   34    HA   CYS   4           HA       CYS   4   8.891   4.112  -6.813
   35   1HB   CYS   4          2HB       CYS   4   8.631   6.268  -8.864
   36   2HB   CYS   4          1HB       CYS   4   8.347   6.736  -7.206
   37    H    THR   5           H        THR   5   6.694   2.708  -7.267
   38    HA   THR   5           HA       THR   5   4.292   4.301  -6.580
   39    HB   THR   5           HB       THR   5   3.242   1.851  -6.591
   40    HG1  THR   5           HG1      THR   5   5.617   1.175  -6.447
   41   1HG2  THR   5          1HG2      THR   5   4.649   2.946  -9.090
   42   2HG2  THR   5          3HG2      THR   5   3.387   1.720  -9.104
   43   3HG2  THR   5          2HG2      THR   5   3.017   3.357  -8.588
   44    H    ASN   6           H        ASN   6   2.917   3.150  -4.809
   45    HA   ASN   6           HA       ASN   6   4.463   2.053  -2.578
   46   1HB   ASN   6          2HB       ASN   6   3.907   3.909  -0.999
   47   2HB   ASN   6          1HB       ASN   6   4.953   4.429  -2.301
   48   1HD2  ASN   6          2HD2      ASN   6   2.143   6.896  -1.817
   49   2HD2  ASN   6          1HD2      ASN   6   3.285   6.214  -0.762
   50    H    CYS   7           H        CYS   7   3.332   1.395  -0.850
   51    HA   CYS   7           HA       CYS   7   0.847   0.129  -1.319
   52   1HB   CYS   7          2HB       CYS   7   2.275  -0.852   0.248
   53   2HB   CYS   7          1HB       CYS   7   2.587   0.654   1.064
   54    H    CYS   8           H        CYS   8   1.610   3.194   0.121
   55    HA   CYS   8           HA       CYS   8  -0.845   3.741   1.457
   56   1HB   CYS   8          2HB       CYS   8   1.248   4.978   1.807
   57   2HB   CYS   8          1HB       CYS   8   1.170   5.602   0.194
   58    H    ALA   9           H        ALA   9   0.341   4.871  -1.620
   59    HA   ALA   9           HA       ALA   9  -2.305   5.861  -2.452
   60   1HB   ALA   9          1HB       ALA   9   0.078   6.863  -2.967
   61   2HB   ALA   9          3HB       ALA   9   0.074   5.719  -4.302
   62   3HB   ALA   9          2HB       ALA   9  -1.175   6.942  -4.192
   63    H    GLY  10           H        GLY  10  -1.905   2.946  -2.064
   64   1HA   GLY  10          2HA       GLY  10  -1.881   1.611  -4.594
   65   2HA   GLY  10          1HA       GLY  10  -2.430   0.921  -3.076
   66    H    THR  11           H        THR  11  -4.305  -0.005  -3.593
   67    HA   THR  11           HA       THR  11  -6.607   1.649  -4.420
   68    HB   THR  11           HB       THR  11  -7.242  -0.204  -6.173
   69    HG1  THR  11           HG1      THR  11  -5.592  -1.588  -5.298
   70   1HG2  THR  11          1HG2      THR  11  -6.161   2.108  -6.803
   71   2HG2  THR  11          3HG2      THR  11  -4.634   1.243  -6.867
   72   3HG2  THR  11          2HG2      THR  11  -5.942   0.799  -7.949
   73    H    LYS  12           H        LYS  12  -8.066   1.301  -2.923
   74    HA   LYS  12           HA       LYS  12  -8.244  -0.686  -1.023
   75   1HB   LYS  12          2HB       LYS  12  -9.530   1.362  -0.946
   76   2HB   LYS  12          1HB       LYS  12 -10.488   0.885  -2.330
   77   1HG   LYS  12          2HG       LYS  12 -10.443  -1.058  -0.042
   78   2HG   LYS  12          1HG       LYS  12 -11.142   0.493   0.344
   79   1HD   LYS  12          2HD       LYS  12 -13.067  -0.025  -0.715
   80   2HD   LYS  12          1HD       LYS  12 -12.230  -0.341  -2.218
   81   1HE   LYS  12          2HE       LYS  12 -11.689  -2.658  -1.392
   82   2HE   LYS  12          1HE       LYS  12 -12.623  -2.321   0.059
   83   1HZ   LYS  12          1HZ       LYS  12 -14.260  -1.621  -2.019
   84   2HZ   LYS  12          3HZ       LYS  12 -13.515  -3.059  -2.529
   85   3HZ   LYS  12          2HZ       LYS  12 -14.368  -3.018  -1.061
   86    H    GLY  13           H        GLY  13  -8.048  -2.734  -1.486
   87   1HA   GLY  13          2HA       GLY  13  -9.660  -4.691  -1.830
   88   2HA   GLY  13          1HA       GLY  13  -9.935  -4.029  -3.428
   89    H    CYS  14           H        CYS  14  -7.023  -3.379  -3.812
   90    HA   CYS  14           HA       CYS  14  -6.274  -6.076  -4.720
   91   1HB   CYS  14          2HB       CYS  14  -4.999  -3.368  -5.085
   92   2HB   CYS  14          1HB       CYS  14  -4.348  -4.837  -5.757
   93    H    LYS  15           H        LYS  15  -4.190  -6.971  -4.378
   94    HA   LYS  15           HA       LYS  15  -3.061  -6.362  -1.672
   95   1HB   LYS  15          2HB       LYS  15  -2.997  -9.000  -3.199
   96   2HB   LYS  15          1HB       LYS  15  -2.439  -8.732  -1.566
   97   1HG   LYS  15          2HG       LYS  15  -4.996  -7.782  -1.313
   98   2HG   LYS  15          1HG       LYS  15  -5.247  -8.925  -2.614
   99   1HD   LYS  15          2HD       LYS  15  -4.502 -10.778  -1.279
  100   2HD   LYS  15          1HD       LYS  15  -3.798  -9.726  -0.063
  101   1HE   LYS  15          2HE       LYS  15  -5.972 -10.637   0.720
  102   2HE   LYS  15          1HE       LYS  15  -6.059  -8.892   0.553
  103   1HZ   LYS  15          3HZ       LYS  15  -6.919 -10.740  -1.589
  104   2HZ   LYS  15          2HZ       LYS  15  -7.962 -10.178  -0.371
  105   3HZ   LYS  15          1HZ       LYS  15  -7.244  -9.078  -1.447
  106    OH   TYR  16           OH       TYR  16  -2.536  -0.099  -6.229
  107    H    TYR  16           H        TYR  16  -1.616  -4.857  -2.355
  108    HA   TYR  16           HA       TYR  16   0.152  -4.995  -4.567
  109   1HB   TYR  16          2HB       TYR  16   0.186  -3.519  -1.906
  110   2HB   TYR  16          1HB       TYR  16   1.556  -3.384  -3.010
  111    HD1  TYR  16           HD2      TYR  16  -2.183  -3.168  -2.941
  112    HD2  TYR  16           HD1      TYR  16   1.391  -1.908  -4.889
  113    HE1  TYR  16           HE2      TYR  16  -3.485  -1.673  -4.356
  114    HE2  TYR  16           HE1      TYR  16   0.077  -0.406  -6.307
  115    HH   TYR  16           HH       TYR  16  -3.453  -0.365  -6.156
  116    H    PHE  17           H        PHE  17   1.770  -6.269  -4.967
  117    HA   PHE  17           HA       PHE  17   3.313  -7.530  -2.791
  118   1HB   PHE  17          2HB       PHE  17   1.857  -9.223  -3.125
  119   2HB   PHE  17          1HB       PHE  17   1.417  -8.747  -4.741
  120    HD1  PHE  17           HD2      PHE  17   3.462  -9.065  -6.495
  121    HD2  PHE  17           HD1      PHE  17   2.885 -11.287  -2.906
  122    HE1  PHE  17           HE2      PHE  17   4.762 -10.892  -7.414
  123    HE2  PHE  17           HE1      PHE  17   4.181 -13.120  -3.822
  124    HZ   PHE  17           HZ       PHE  17   5.136 -12.928  -6.122
  125    H    SER  18           H        SER  18   5.308  -8.395  -3.387
  126    HA   SER  18           HA       SER  18   6.634  -6.962  -5.577
  127   1HB   SER  18          2HB       SER  18   8.645  -7.311  -4.231
  128   2HB   SER  18          1HB       SER  18   7.383  -6.635  -3.208
  129    HG   SER  18           HG       SER  18   6.853  -8.933  -2.796
  130    H    ASP  19           H        ASP  19   7.433  -7.927  -7.160
  131    HA   ASP  19           HA       ASP  19   6.900 -10.299  -8.316
  132   1HB   ASP  19          2HB       ASP  19   9.098  -9.979  -9.626
  133   2HB   ASP  19          1HB       ASP  19   7.978  -8.642  -9.645
  134    H    ASP  20           H        ASP  20   9.504  -9.990  -6.002
  135    HA   ASP  20           HA       ASP  20  10.971 -12.340  -6.597
  136   1HB   ASP  20          2HB       ASP  20  11.601 -12.229  -4.098
  137   2HB   ASP  20          1HB       ASP  20  11.905 -10.779  -5.040
  138    H    GLY  21           H        GLY  21   7.944 -11.957  -4.935
  139   1HA   GLY  21          2HA       GLY  21   6.464 -13.993  -5.075
  140   2HA   GLY  21          1HA       GLY  21   7.812 -14.905  -4.428
  141    H    THR  22           H        THR  22   6.860 -11.654  -3.343
  142    HA   THR  22           HA       THR  22   5.753 -12.864  -0.864
  143    HB   THR  22           HB       THR  22   7.871 -10.703  -0.925
  144    HG1  THR  22           HG1      THR  22   8.897 -12.397  -1.382
  145   1HG2  THR  22          2HG2      THR  22   6.667 -12.433   1.346
  146   2HG2  THR  22          1HG2      THR  22   8.060 -11.388   1.566
  147   3HG2  THR  22          3HG2      THR  22   6.490 -10.691   1.217
  148    H    PHE  23           H        PHE  23   4.124 -11.817   0.020
  149    HA   PHE  23           HA       PHE  23   2.841  -9.670  -1.407
  150   1HB   PHE  23          2HB       PHE  23   1.457 -11.259  -0.325
  151   2HB   PHE  23          1HB       PHE  23   2.425 -11.251   1.116
  152    HD1  PHE  23           HD2      PHE  23  -0.222  -9.454  -0.736
  153    HD2  PHE  23           HD1      PHE  23   2.116  -9.510   2.830
  154    HE1  PHE  23           HE2      PHE  23  -1.742  -7.827   0.297
  155    HE2  PHE  23           HE1      PHE  23   0.593  -7.885   3.852
  156    HZ   PHE  23           HZ       PHE  23  -1.338  -7.042   2.588
  157    H    VAL  24           H        VAL  24   2.771  -7.486  -0.828
  158    HA   VAL  24           HA       VAL  24   4.851  -6.586   1.106
  159    HB   VAL  24           HB       VAL  24   3.565  -5.197  -1.293
  160   1HG1  VAL  24          2HG1      VAL  24   5.803  -4.278   0.554
  161   2HG1  VAL  24          1HG1      VAL  24   5.441  -3.547  -1.001
  162   3HG1  VAL  24          3HG1      VAL  24   4.254  -3.479   0.291
  163   1HG2  VAL  24          3HG2      VAL  24   5.221  -7.161  -1.697
  164   2HG2  VAL  24          2HG2      VAL  24   5.606  -5.629  -2.456
  165   3HG2  VAL  24          1HG2      VAL  24   6.446  -6.125  -0.995
  166    H    CYS  25           H        CYS  25   1.623  -5.805  -0.040
  167    HA   CYS  25           HA       CYS  25   0.470  -5.400   2.542
  168   1HB   CYS  25          2HB       CYS  25   0.885  -3.294   3.023
  169   2HB   CYS  25          1HB       CYS  25   1.962  -3.214   1.664
  170    H    GLU  26           H        GLU  26  -1.615  -3.976   2.214
  171    HA   GLU  26           HA       GLU  26  -2.951  -4.822  -0.330
  172   1HB   GLU  26          2HB       GLU  26  -3.769  -4.883   2.542
  173   2HB   GLU  26          1HB       GLU  26  -5.010  -4.324   1.451
  174   1HG   GLU  26          2HG       GLU  26  -5.354  -6.352   0.486
  175   2HG   GLU  26          1HG       GLU  26  -3.648  -6.743   0.414
  176    H    GLY  27           H        GLY  27  -3.642  -3.262  -1.566
  177   1HA   GLY  27          2HA       GLY  27  -3.056  -0.553  -1.312
  178   2HA   GLY  27          1HA       GLY  27  -4.362  -1.190  -2.318
  179    H    GLU  28           H        GLU  28  -3.650   0.722   0.288
  180    HA   GLU  28           HA       GLU  28  -6.287   0.446   1.592
  181   1HB   GLU  28          2HB       GLU  28  -3.710   0.957   2.562
  182   2HB   GLU  28          1HB       GLU  28  -4.468   2.527   2.661
  183   1HG   GLU  28          2HG       GLU  28  -5.651  -0.046   3.807
  184   2HG   GLU  28          1HG       GLU  28  -4.781   1.155   4.741
  185    H    SER  29           H        SER  29  -5.268   2.193  -1.014
  186    HA   SER  29           HA       SER  29  -6.225   4.820  -0.459
  187   1HB   SER  29          2HB       SER  29  -5.978   3.252  -3.048
  188   2HB   SER  29          1HB       SER  29  -6.325   4.980  -2.972
  189    HG   SER  29           HG       SER  29  -4.066   4.462  -3.080
  190    H    ASP  30           H        ASP  30  -8.167   5.018   0.398
  191    HA   ASP  30           HA       ASP  30 -10.458   3.447  -0.386
  192   1HB   ASP  30          2HB       ASP  30 -10.667   3.953   1.830
  193   2HB   ASP  30          1HB       ASP  30  -9.798   5.459   1.712
  194    HA   PRO  31           HA       PRO  31 -11.902   6.248  -3.585
  195   1HB   PRO  31          2HB       PRO  31 -14.532   5.212  -3.685
  196   2HB   PRO  31          1HB       PRO  31 -13.159   4.659  -4.634
  197   1HG   PRO  31          2HG       PRO  31 -14.439   3.358  -2.307
  198   2HG   PRO  31          1HG       PRO  31 -13.373   2.653  -3.513
  199   1HD   PRO  31          2HD       PRO  31 -12.672   3.356  -0.833
  200   2HD   PRO  31          1HD       PRO  31 -11.559   2.861  -2.121
  201    NH1  ARG  32           NH1      ARG  32 -16.405   5.768   0.396
  202    NH2  ARG  32           NH2      ARG  32 -17.887   6.188   2.082
  203    H    ARG  32           H        ARG  32 -11.728   7.997  -2.284
  204    HA   ARG  32           HA       ARG  32 -13.812   9.726  -1.900
  205   1HB   ARG  32          2HB       ARG  32 -13.824   7.758   0.288
  206   2HB   ARG  32          1HB       ARG  32 -13.360   9.312   0.947
  207   1HG   ARG  32          2HG       ARG  32 -15.328  10.362   0.012
  208   2HG   ARG  32          1HG       ARG  32 -15.742   8.911  -0.881
  209   1HD   ARG  32          2HD       ARG  32 -15.456   8.237   1.954
  210   2HD   ARG  32          1HD       ARG  32 -16.554   9.595   1.775
  211    HE   ARG  32           HE       ARG  32 -17.880   8.206   0.194
  212   1HH1  ARG  32          2HH1      ARG  32 -15.846   6.107  -0.358
  213   2HH1  ARG  32          1HH1      ARG  32 -16.393   4.795   0.628
  214   1HH2  ARG  32          1HH2      ARG  32 -18.445   6.849   2.586
  215   2HH2  ARG  32          2HH2      ARG  32 -17.894   5.223   2.343
  216    H    ASN  33           H        ASN  33 -10.916   8.500  -0.269
  217    HA   ASN  33           HA       ASN  33  -9.930  11.225   0.198
  218   1HB   ASN  33          2HB       ASN  33  -8.181  10.205   1.475
  219   2HB   ASN  33          1HB       ASN  33  -9.591   9.217   1.794
  220   1HD2  ASN  33          2HD2      ASN  33  -6.430   7.628  -0.249
  221   2HD2  ASN  33          1HD2      ASN  33  -6.515   9.304   0.008
  222    HA   PRO  34           HA       PRO  34  -7.698  10.970  -3.750
  223   1HB   PRO  34          2HB       PRO  34  -6.493  13.470  -3.628
  224   2HB   PRO  34          1HB       PRO  34  -8.154  13.195  -4.128
  225   1HG   PRO  34          2HG       PRO  34  -7.150  14.284  -1.533
  226   2HG   PRO  34          1HG       PRO  34  -8.691  14.568  -2.332
  227   1HD   PRO  34          2HD       PRO  34  -8.239  12.757  -0.141
  228   2HD   PRO  34          1HD       PRO  34  -9.706  12.888  -1.127
  229    H    LYS  35           H        LYS  35  -6.605   9.293  -2.276
  230    HA   LYS  35           HA       LYS  35  -4.740   8.446  -1.083
  231   1HB   LYS  35          2HB       LYS  35  -2.787   8.410  -2.842
  232   2HB   LYS  35          1HB       LYS  35  -4.296   7.607  -3.201
  233   1HG   LYS  35          2HG       LYS  35  -5.039   9.457  -4.621
  234   2HG   LYS  35          1HG       LYS  35  -3.678  10.445  -4.128
  235   1HD   LYS  35          2HD       LYS  35  -3.057   9.591  -6.253
  236   2HD   LYS  35          1HD       LYS  35  -2.154   8.618  -5.115
  237   1HE   LYS  35          2HE       LYS  35  -4.301   7.003  -5.287
  238   2HE   LYS  35          1HE       LYS  35  -4.553   7.863  -6.798
  239   1HZ   LYS  35          1HZ       LYS  35  -1.891   7.235  -6.782
  240   2HZ   LYS  35          3HZ       LYS  35  -2.656   5.856  -6.154
  241   3HZ   LYS  35          2HZ       LYS  35  -3.116   6.465  -7.672
  242    H    ALA  36           H        ALA  36  -4.419   9.847   0.626
  243    HA   ALA  36           HA       ALA  36  -2.677  12.179   0.408
  244   1HB   ALA  36          3HB       ALA  36  -3.834  10.717   2.817
  245   2HB   ALA  36          2HB       ALA  36  -2.961  12.240   2.906
  246   3HB   ALA  36          1HB       ALA  36  -4.493  12.154   2.053
  247    H    CYS  37           H        CYS  37  -0.836  11.336  -0.452
  248    HA   CYS  37           HA       CYS  37   1.065  10.176   1.479
  249   1HB   CYS  37          2HB       CYS  37   1.002   8.998  -1.292
  250   2HB   CYS  37          1HB       CYS  37   1.668   8.319   0.168
  251    HA   PRO  38           HA       PRO  38   3.670  13.151  -0.645
  252   1HB   PRO  38          2HB       PRO  38   6.121  11.644  -0.192
  253   2HB   PRO  38          1HB       PRO  38   5.561  13.087   0.632
  254   1HG   PRO  38          2HG       PRO  38   5.636  10.424   1.700
  255   2HG   PRO  38          1HG       PRO  38   4.987  11.859   2.473
  256   1HD   PRO  38          2HD       PRO  38   3.493   9.624   1.305
  257   2HD   PRO  38          1HD       PRO  38   2.881  10.993   2.250
  258    NH1  ARG  39           NH2      ARG  39   6.770   8.382  -8.350
  259    NH2  ARG  39           NH1      ARG  39   8.901   9.094  -8.751
  260    H    ARG  39           H        ARG  39   5.272  10.058  -1.167
  261    HA   ARG  39           HA       ARG  39   4.348   9.732  -3.901
  262   1HB   ARG  39          2HB       ARG  39   6.174  11.522  -4.112
  263   2HB   ARG  39          1HB       ARG  39   7.323  10.372  -3.455
  264   1HG   ARG  39          2HG       ARG  39   6.824   8.802  -5.339
  265   2HG   ARG  39          1HG       ARG  39   5.644   9.936  -5.971
  266   1HD   ARG  39          2HD       ARG  39   7.705  11.628  -5.966
  267   2HD   ARG  39          1HD       ARG  39   8.661  10.151  -5.958
  268    HE   ARG  39           HE       ARG  39   7.073  11.166  -8.178
  269   1HH1  ARG  39          1HH2      ARG  39   5.865   8.559  -7.964
  270   2HH1  ARG  39          2HH2      ARG  39   6.962   7.513  -8.806
  271   1HH2  ARG  39          2HH1      ARG  39   9.597   9.807  -8.667
  272   2HH2  ARG  39          1HH1      ARG  39   9.117   8.234  -9.212
  273    H    ASN  40           H        ASN  40   7.199   9.062  -1.988
  274    HA   ASN  40           HA       ASN  40   8.257   7.170  -1.242
  275   1HB   ASN  40          2HB       ASN  40   5.384   6.166  -1.153
  276   2HB   ASN  40          1HB       ASN  40   6.728   5.394  -0.321
  277   1HD2  ASN  40          2HD2      ASN  40   6.344   7.563   2.424
  278   2HD2  ASN  40          1HD2      ASN  40   6.807   6.039   1.841
  279    H    CYS  41           H        CYS  41   9.547   6.072  -2.482
  280    HA   CYS  41           HA       CYS  41   8.550   4.720  -4.909
  281   1HB   CYS  41          2HB       CYS  41  11.358   5.280  -3.893
  282   2HB   CYS  41          1HB       CYS  41  11.007   4.423  -5.375
  283    H    ASP  42           H        ASP  42   8.190   2.603  -4.995
  284    HA   ASP  42           HA       ASP  42   9.499   0.821  -2.982
  285   1HB   ASP  42          2HB       ASP  42   6.960   1.362  -2.723
  286   2HB   ASP  42          1HB       ASP  42   6.722   0.318  -4.109
  287    HA   PRO  43           HA       PRO  43  10.754  -0.428  -7.257
  288   1HB   PRO  43          2HB       PRO  43  13.163  -1.505  -6.035
  289   2HB   PRO  43          1HB       PRO  43  13.001  -0.217  -7.217
  290   1HG   PRO  43          2HG       PRO  43  13.581   0.048  -4.410
  291   2HG   PRO  43          1HG       PRO  43  13.376   1.345  -5.576
  292   1HD   PRO  43          2HD       PRO  43  11.564   0.579  -3.457
  293   2HD   PRO  43          1HD       PRO  43  11.358   1.883  -4.639
  294    NH1  ARG  44           NH1      ARG  44  13.099  -6.046  -5.761
  295    NH2  ARG  44           NH2      ARG  44  11.163  -7.256  -5.683
  296    H    ARG  44           H        ARG  44  10.683  -2.103  -4.219
  297    HA   ARG  44           HA       ARG  44  10.954  -4.758  -5.191
  298   1HB   ARG  44          2HB       ARG  44  10.100  -3.436  -2.658
  299   2HB   ARG  44          1HB       ARG  44   9.402  -5.021  -2.884
  300   1HG   ARG  44          2HG       ARG  44  12.382  -4.635  -3.321
  301   2HG   ARG  44          1HG       ARG  44  11.757  -4.738  -1.694
  302   1HD   ARG  44          2HD       ARG  44  11.788  -7.004  -1.866
  303   2HD   ARG  44          1HD       ARG  44  10.509  -6.913  -3.061
  304    HE   ARG  44           HE       ARG  44  13.248  -7.568  -3.599
  305   1HH1  ARG  44          2HH1      ARG  44  13.911  -5.700  -5.291
  306   2HH1  ARG  44          1HH1      ARG  44  12.948  -5.826  -6.725
  307   1HH2  ARG  44          1HH2      ARG  44  10.542  -7.817  -5.143
  308   2HH2  ARG  44          2HH2      ARG  44  10.967  -7.060  -6.643
  309    H    ILE  45           H        ILE  45   8.105  -2.775  -4.606
  310    HA   ILE  45           HA       ILE  45   6.119  -4.698  -5.143
  311    HB   ILE  45           HB       ILE  45   6.305  -1.787  -4.830
  312   1HG1  ILE  45          2HG1      ILE  45   3.708  -3.331  -4.665
  313   2HG1  ILE  45          1HG1      ILE  45   4.987  -3.709  -3.533
  314   1HG2  ILE  45          3HG2      ILE  45   4.350  -2.651  -6.995
  315   2HG2  ILE  45          2HG2      ILE  45   4.276  -1.115  -6.152
  316   3HG2  ILE  45          1HG2      ILE  45   5.662  -1.491  -7.153
  317   1HD1  ILE  45          2HD1      ILE  45   4.115  -0.831  -3.917
  318   2HD1  ILE  45          1HD1      ILE  45   3.278  -1.905  -2.810
  319   3HD1  ILE  45          3HD1      ILE  45   4.976  -1.553  -2.568
  320    H    ALA  46           H        ALA  46   5.259  -5.525  -6.919
  321    HA   ALA  46           HA       ALA  46   6.441  -4.829  -9.572
  322   1HB   ALA  46          2HB       ALA  46   7.037  -7.059  -8.673
  323   2HB   ALA  46          1HB       ALA  46   5.345  -7.502  -8.607
  324   3HB   ALA  46          3HB       ALA  46   6.118  -7.193 -10.160
  325    OH   TYR  47           OH       TYR  47   4.345 -11.261  -9.789
  326    H    TYR  47           H        TYR  47   3.601  -5.926  -7.830
  327    HA   TYR  47           HA       TYR  47   1.799  -4.307  -9.398
  328   1HB   TYR  47          2HB       TYR  47   0.518  -6.499 -10.287
  329   2HB   TYR  47          1HB       TYR  47   1.855  -5.844 -11.199
  330    HD1  TYR  47           HD1      TYR  47   1.115  -8.360  -8.514
  331    HD2  TYR  47           HD2      TYR  47   3.694  -7.223 -11.709
  332    HE1  TYR  47           HE1      TYR  47   2.306 -10.488  -8.318
  333    HE2  TYR  47           HE2      TYR  47   4.882  -9.352 -11.506
  334    HH   TYR  47           HH       TYR  47   5.212 -11.082  -9.417
  335    H    GLY  48           H        GLY  48  -0.572  -5.347  -9.024
  336   1HA   GLY  48          2HA       GLY  48  -0.727  -6.015  -6.104
  337   2HA   GLY  48          1HA       GLY  48  -1.851  -4.921  -6.904
  338    H    ILE  49           H        ILE  49  -1.357  -8.029  -5.871
  339    HA   ILE  49           HA       ILE  49  -2.899  -9.436  -7.923
  340    HB   ILE  49           HB       ILE  49  -2.056 -10.246  -5.086
  341   1HG1  ILE  49          2HG1      ILE  49  -0.046  -9.888  -6.423
  342   2HG1  ILE  49          1HG1      ILE  49  -0.284 -11.607  -6.236
  343   1HG2  ILE  49          1HG2      ILE  49  -3.380 -11.819  -7.318
  344   2HG2  ILE  49          3HG2      ILE  49  -2.404 -12.629  -6.104
  345   3HG2  ILE  49          2HG2      ILE  49  -3.826 -11.724  -5.623
  346   1HD1  ILE  49          1HD1      ILE  49  -1.527 -11.472  -8.556
  347   2HD1  ILE  49          3HD1      ILE  49  -0.719  -9.921  -8.710
  348   3HD1  ILE  49          2HD1      ILE  49   0.221 -11.392  -8.533
  349    H    CYS  50           H        CYS  50  -4.793  -8.379  -8.080
  350    HA   CYS  50           HA       CYS  50  -6.468  -7.853  -5.724
  351   1HB   CYS  50          2HB       CYS  50  -7.349  -7.442  -8.570
  352   2HB   CYS  50          1HB       CYS  50  -7.807  -6.546  -7.149
  353    HA   PRO  51           HA       PRO  51  -8.776 -11.644  -6.184
  354   1HB   PRO  51          2HB       PRO  51 -11.236 -10.601  -5.134
  355   2HB   PRO  51          1HB       PRO  51 -10.014 -11.533  -4.283
  356   1HG   PRO  51          2HG       PRO  51 -10.581  -8.681  -4.053
  357   2HG   PRO  51          1HG       PRO  51  -9.478  -9.648  -3.086
  358   1HD   PRO  51          2HD       PRO  51  -8.781  -7.733  -5.135
  359   2HD   PRO  51          1HD       PRO  51  -7.679  -8.763  -4.203
  360    H    LEU  52           H        LEU  52  -9.816 -12.471  -7.857
  361    HA   LEU  52           HA       LEU  52 -11.454 -10.692  -9.629
  362   1HB   LEU  52          2HB       LEU  52  -9.568 -12.972 -10.313
  363   2HB   LEU  52          1HB       LEU  52 -10.653 -12.254 -11.480
  364    HG   LEU  52           HG       LEU  52  -9.103 -10.182 -10.021
  365   1HD1  LEU  52          2HD1      LEU  52  -7.387 -11.978  -9.976
  366   2HD1  LEU  52          1HD1      LEU  52  -7.546 -12.180 -11.713
  367   3HD1  LEU  52          3HD1      LEU  52  -6.921 -10.675 -11.055
  368   1HD2  LEU  52          3HD2      LEU  52 -10.401  -9.793 -12.120
  369   2HD2  LEU  52          2HD2      LEU  52  -8.711  -9.358 -12.304
  370   3HD2  LEU  52          1HD2      LEU  52  -9.309 -10.864 -12.985
  371    H    ALA  53           H        ALA  53 -11.608 -13.267  -7.563
  372    HA   ALA  53           HA       ALA  53 -13.317 -15.117  -8.876
  373   1HB   ALA  53          3HB       ALA  53 -13.161 -14.397  -5.922
  374   2HB   ALA  53          2HB       ALA  53 -13.921 -15.844  -6.567
  375   3HB   ALA  53          1HB       ALA  53 -12.188 -15.611  -6.740
   
  Start of MODEL           4
 Raw file had  375 H/Q atoms
  Start of MODEL    4
    1   1H    ASP   1          2H        ASP   1  11.036   1.184 -12.381
    2   2H    ASP   1          1H        ASP   1  12.606   1.291 -11.740
    3   3H    ASP   1          3H        ASP   1  11.259   1.519 -10.730
    4    HA   ASP   1           HA       ASP   1  11.984   3.658 -11.104
    5   1HB   ASP   1          2HB       ASP   1  12.299   4.333 -13.697
    6   2HB   ASP   1          1HB       ASP   1  13.617   3.611 -12.802
    7    NH1  ARG   2           NH2      ARG   2  10.059   1.657 -19.799
    8    NH2  ARG   2           NH1      ARG   2  11.312   0.414 -18.352
    9    H    ARG   2           H        ARG   2  10.180   2.237 -13.784
   10    HA   ARG   2           HA       ARG   2   8.229   4.381 -13.879
   11   1HB   ARG   2          2HB       ARG   2   8.547   1.679 -15.201
   12   2HB   ARG   2          1HB       ARG   2   7.002   2.502 -15.329
   13   1HG   ARG   2          2HG       ARG   2   7.961   4.412 -16.404
   14   2HG   ARG   2          1HG       ARG   2   9.594   3.953 -15.963
   15   1HD   ARG   2          2HD       ARG   2   7.989   2.060 -17.691
   16   2HD   ARG   2          1HD       ARG   2   8.719   3.490 -18.417
   17    HE   ARG   2           HE       ARG   2  10.687   2.231 -16.809
   18   1HH1  ARG   2          1HH2      ARG   2   9.429   2.417 -19.953
   19   2HH1  ARG   2          2HH2      ARG   2  10.360   1.093 -20.568
   20   1HH2  ARG   2          2HH1      ARG   2  11.622   0.250 -17.416
   21   2HH2  ARG   2          1HH1      ARG   2  11.630  -0.169 -19.099
   22    H    ILE   3           H        ILE   3   8.552   1.480 -12.086
   23    HA   ILE   3           HA       ILE   3   5.749   1.259 -11.306
   24    HB   ILE   3           HB       ILE   3   7.233  -0.740 -11.542
   25   1HG1  ILE   3          2HG1      ILE   3   6.838  -1.777  -9.240
   26   2HG1  ILE   3          1HG1      ILE   3   6.242  -0.228  -8.698
   27   1HG2  ILE   3          2HG2      ILE   3   9.297   0.659 -10.539
   28   2HG2  ILE   3          1HG2      ILE   3   8.756  -0.096  -9.053
   29   3HG2  ILE   3          3HG2      ILE   3   9.223  -1.089 -10.418
   30   1HD1  ILE   3          3HD1      ILE   3   5.144  -1.691 -11.130
   31   2HD1  ILE   3          2HD1      ILE   3   4.437  -1.800  -9.523
   32   3HD1  ILE   3          1HD1      ILE   3   4.463  -0.261 -10.370
   33    H    CYS   4           H        CYS   4   5.808   3.586 -10.717
   34    HA   CYS   4           HA       CYS   4   7.090   4.218  -8.140
   35   1HB   CYS   4          2HB       CYS   4   5.793   5.754 -10.373
   36   2HB   CYS   4          1HB       CYS   4   5.833   6.517  -8.802
   37    H    THR   5           H        THR   5   5.152   2.282  -8.144
   38    HA   THR   5           HA       THR   5   2.703   3.387  -6.917
   39    HB   THR   5           HB       THR   5   2.298   0.745  -6.577
   40    HG1  THR   5           HG1      THR   5   3.659  -0.421  -7.925
   41   1HG2  THR   5          1HG2      THR   5   2.652   1.929  -9.381
   42   2HG2  THR   5          3HG2      THR   5   1.730   0.478  -9.000
   43   3HG2  THR   5          2HG2      THR   5   1.183   2.043  -8.422
   44    H    ASN   6           H        ASN   6   2.056   2.471  -4.820
   45    HA   ASN   6           HA       ASN   6   4.191   1.676  -2.944
   46   1HB   ASN   6          2HB       ASN   6   2.579   4.155  -2.234
   47   2HB   ASN   6          1HB       ASN   6   4.046   3.592  -1.482
   48   1HD2  ASN   6          2HD2      ASN   6   4.290   6.107  -4.545
   49   2HD2  ASN   6          1HD2      ASN   6   2.791   5.609  -3.903
   50    H    CYS   7           H        CYS   7   3.348   0.969  -0.931
   51    HA   CYS   7           HA       CYS   7   0.930  -0.475  -1.050
   52   1HB   CYS   7          2HB       CYS   7   2.518  -1.269   0.433
   53   2HB   CYS   7          1HB       CYS   7   2.838   0.302   1.101
   54    H    CYS   8           H        CYS   8   1.420   2.793  -0.431
   55    HA   CYS   8           HA       CYS   8  -1.026   3.179   1.154
   56   1HB   CYS   8          2HB       CYS   8   1.105   4.378   1.587
   57   2HB   CYS   8          1HB       CYS   8   0.937   5.195   0.065
   58    H    ALA   9           H        ALA   9   0.200   4.726  -1.788
   59    HA   ALA   9           HA       ALA   9  -2.513   5.433  -2.652
   60   1HB   ALA   9          1HB       ALA   9  -0.713   7.093  -2.656
   61   2HB   ALA   9          3HB       ALA   9   0.172   6.151  -3.842
   62   3HB   ALA   9          2HB       ALA   9  -1.373   6.872  -4.265
   63    H    GLY  10           H        GLY  10  -2.427   2.700  -2.981
   64   1HA   GLY  10          2HA       GLY  10  -1.875   2.229  -5.877
   65   2HA   GLY  10          1HA       GLY  10  -2.125   0.990  -4.675
   66    H    THR  11           H        THR  11  -4.137   0.443  -3.996
   67    HA   THR  11           HA       THR  11  -6.587   1.588  -5.001
   68    HB   THR  11           HB       THR  11  -7.094  -0.782  -6.304
   69    HG1  THR  11           HG1      THR  11  -5.247  -1.554  -7.171
   70   1HG2  THR  11          2HG2      THR  11  -6.775   1.780  -7.271
   71   2HG2  THR  11          1HG2      THR  11  -5.365   1.008  -7.983
   72   3HG2  THR  11          3HG2      THR  11  -6.969   0.382  -8.309
   73    H    LYS  12           H        LYS  12  -7.680   1.331  -3.190
   74    HA   LYS  12           HA       LYS  12  -7.381  -0.607  -1.228
   75   1HB   LYS  12          2HB       LYS  12  -8.937   1.572  -1.411
   76   2HB   LYS  12          1HB       LYS  12 -10.176   0.402  -1.772
   77   1HG   LYS  12          2HG       LYS  12  -8.472  -0.336   0.573
   78   2HG   LYS  12          1HG       LYS  12  -9.295   1.179   0.778
   79   1HD   LYS  12          2HD       LYS  12 -10.983  -0.158   1.559
   80   2HD   LYS  12          1HD       LYS  12 -11.407  -0.268  -0.131
   81   1HE   LYS  12          2HE       LYS  12 -11.349  -2.511   0.878
   82   2HE   LYS  12          1HE       LYS  12 -10.066  -2.388  -0.309
   83   1HZ   LYS  12          3HZ       LYS  12  -9.578  -1.780   2.533
   84   2HZ   LYS  12          2HZ       LYS  12  -9.536  -3.376   1.956
   85   3HZ   LYS  12          1HZ       LYS  12  -8.457  -2.221   1.340
   86    H    GLY  13           H        GLY  13  -7.441  -2.698  -1.454
   87   1HA   GLY  13          2HA       GLY  13  -9.075  -4.623  -1.608
   88   2HA   GLY  13          1HA       GLY  13  -9.511  -3.997  -3.192
   89    H    CYS  14           H        CYS  14  -6.658  -3.319  -3.825
   90    HA   CYS  14           HA       CYS  14  -5.884  -5.989  -4.779
   91   1HB   CYS  14          2HB       CYS  14  -4.674  -3.257  -5.244
   92   2HB   CYS  14          1HB       CYS  14  -4.152  -4.724  -6.027
   93    H    LYS  15           H        LYS  15  -4.506  -7.218  -3.750
   94    HA   LYS  15           HA       LYS  15  -3.120  -6.328  -1.378
   95   1HB   LYS  15          2HB       LYS  15  -3.110  -8.933  -2.950
   96   2HB   LYS  15          1HB       LYS  15  -2.161  -8.710  -1.501
   97   1HG   LYS  15          2HG       LYS  15  -4.061  -9.562  -0.508
   98   2HG   LYS  15          1HG       LYS  15  -4.519  -7.872  -0.492
   99   1HD   LYS  15          2HD       LYS  15  -5.738  -8.205  -2.669
  100   2HD   LYS  15          1HD       LYS  15  -5.287  -9.900  -2.643
  101   1HE   LYS  15          2HE       LYS  15  -6.747 -10.396  -0.884
  102   2HE   LYS  15          1HE       LYS  15  -6.713  -8.759  -0.239
  103   1HZ   LYS  15          1HZ       LYS  15  -7.874  -8.081  -2.322
  104   2HZ   LYS  15          3HZ       LYS  15  -8.121  -9.732  -2.642
  105   3HZ   LYS  15          2HZ       LYS  15  -8.781  -9.029  -1.242
  106    OH   TYR  16           OH       TYR  16  -2.639   0.736  -2.087
  107    H    TYR  16           H        TYR  16  -1.547  -4.902  -1.712
  108    HA   TYR  16           HA       TYR  16   0.223  -4.638  -3.881
  109   1HB   TYR  16          2HB       TYR  16   0.836  -4.149  -0.929
  110   2HB   TYR  16          1HB       TYR  16   1.784  -3.518  -2.250
  111    HD1  TYR  16           HD2      TYR  16   0.770  -1.768  -3.780
  112    HD2  TYR  16           HD1      TYR  16  -1.229  -3.139  -0.294
  113    HE1  TYR  16           HE2      TYR  16  -0.658   0.177  -3.840
  114    HE2  TYR  16           HE1      TYR  16  -2.672  -1.163  -0.356
  115    HH   TYR  16           HH       TYR  16  -3.177   0.692  -2.880
  116    H    PHE  17           H        PHE  17   1.834  -5.982  -4.613
  117    HA   PHE  17           HA       PHE  17   3.212  -7.729  -2.685
  118   1HB   PHE  17          2HB       PHE  17   1.559  -9.187  -3.207
  119   2HB   PHE  17          1HB       PHE  17   1.255  -8.543  -4.806
  120    HD1  PHE  17           HD2      PHE  17   3.172  -8.990  -6.564
  121    HD2  PHE  17           HD1      PHE  17   2.627 -11.235  -2.988
  122    HE1  PHE  17           HE2      PHE  17   4.410 -10.849  -7.537
  123    HE2  PHE  17           HE1      PHE  17   3.862 -13.092  -3.948
  124    HZ   PHE  17           HZ       PHE  17   4.766 -12.905  -6.263
  125    H    SER  18           H        SER  18   5.073  -8.600  -3.364
  126    HA   SER  18           HA       SER  18   6.500  -7.087  -5.471
  127   1HB   SER  18          2HB       SER  18   7.542  -6.821  -3.313
  128   2HB   SER  18          1HB       SER  18   7.536  -8.566  -3.017
  129    HG   SER  18           HG       SER  18   9.032  -7.028  -4.770
  130    H    ASP  19           H        ASP  19   7.301  -8.015  -7.123
  131    HA   ASP  19           HA       ASP  19   6.624 -10.423  -8.257
  132   1HB   ASP  19          2HB       ASP  19   8.823 -10.058  -9.644
  133   2HB   ASP  19          1HB       ASP  19   7.567  -8.842  -9.698
  134    H    ASP  20           H        ASP  20   9.101 -10.002  -5.860
  135    HA   ASP  20           HA       ASP  20  10.734 -12.243  -6.430
  136   1HB   ASP  20          2HB       ASP  20  11.225 -12.137  -3.892
  137   2HB   ASP  20          1HB       ASP  20  11.522 -10.686  -4.829
  138    H    GLY  21           H        GLY  21   7.538 -12.119  -5.247
  139   1HA   GLY  21          2HA       GLY  21   6.129 -14.109  -5.325
  140   2HA   GLY  21          1HA       GLY  21   7.506 -15.067  -4.783
  141    H    THR  22           H        THR  22   6.667 -11.897  -3.516
  142    HA   THR  22           HA       THR  22   5.621 -13.122  -1.028
  143    HB   THR  22           HB       THR  22   7.845 -11.052  -1.142
  144    HG1  THR  22           HG1      THR  22   8.557 -13.044  -1.767
  145   1HG2  THR  22          1HG2      THR  22   6.529 -12.646   1.146
  146   2HG2  THR  22          3HG2      THR  22   8.069 -11.823   1.335
  147   3HG2  THR  22          2HG2      THR  22   6.614 -10.896   1.024
  148    H    PHE  23           H        PHE  23   4.084 -12.043  -0.050
  149    HA   PHE  23           HA       PHE  23   2.773  -9.824  -1.355
  150   1HB   PHE  23          2HB       PHE  23   1.418 -11.443  -0.312
  151   2HB   PHE  23          1HB       PHE  23   2.418 -11.525   1.102
  152    HD1  PHE  23           HD1      PHE  23   2.289  -9.671   2.831
  153    HD2  PHE  23           HD2      PHE  23  -0.396  -9.829  -0.475
  154    HE1  PHE  23           HE1      PHE  23   0.784  -8.111   3.976
  155    HE2  PHE  23           HE2      PHE  23  -1.896  -8.269   0.677
  156    HZ   PHE  23           HZ       PHE  23  -1.312  -7.401   2.903
  157    H    VAL  24           H        VAL  24   2.739  -7.713  -0.719
  158    HA   VAL  24           HA       VAL  24   4.877  -6.799   1.129
  159    HB   VAL  24           HB       VAL  24   3.401  -5.399  -1.161
  160   1HG1  VAL  24          1HG1      VAL  24   5.669  -4.418   0.608
  161   2HG1  VAL  24          3HG1      VAL  24   5.187  -3.655  -0.900
  162   3HG1  VAL  24          2HG1      VAL  24   4.067  -3.701   0.452
  163   1HG2  VAL  24          2HG2      VAL  24   5.151  -7.257  -1.696
  164   2HG2  VAL  24          1HG2      VAL  24   5.418  -5.687  -2.430
  165   3HG2  VAL  24          3HG2      VAL  24   6.344  -6.169  -1.019
  166    H    CYS  25           H        CYS  25   1.553  -6.000   0.205
  167    HA   CYS  25           HA       CYS  25   0.628  -5.739   2.919
  168   1HB   CYS  25          2HB       CYS  25   0.958  -3.647   3.401
  169   2HB   CYS  25          1HB       CYS  25   2.010  -3.521   2.025
  170    H    GLU  26           H        GLU  26  -1.607  -4.418   2.826
  171    HA   GLU  26           HA       GLU  26  -3.144  -5.607   0.577
  172   1HB   GLU  26          2HB       GLU  26  -3.733  -4.843   3.368
  173   2HB   GLU  26          1HB       GLU  26  -5.068  -4.925   2.255
  174   1HG   GLU  26          2HG       GLU  26  -5.027  -7.214   2.070
  175   2HG   GLU  26          1HG       GLU  26  -3.282  -7.308   2.127
  176    H    GLY  27           H        GLY  27  -4.536  -4.559  -0.643
  177   1HA   GLY  27          2HA       GLY  27  -4.193  -1.968  -1.558
  178   2HA   GLY  27          1HA       GLY  27  -5.697  -2.844  -1.682
  179    H    GLU  28           H        GLU  28  -4.303  -0.123  -0.452
  180    HA   GLU  28           HA       GLU  28  -6.452   0.230   1.579
  181   1HB   GLU  28          2HB       GLU  28  -3.548   0.716   1.669
  182   2HB   GLU  28          1HB       GLU  28  -4.479   2.047   2.313
  183   1HG   GLU  28          2HG       GLU  28  -5.388   0.769   4.059
  184   2HG   GLU  28          1HG       GLU  28  -5.213  -0.752   3.197
  185    H    SER  29           H        SER  29  -4.902   1.976  -1.092
  186    HA   SER  29           HA       SER  29  -6.075   4.511  -0.455
  187   1HB   SER  29          2HB       SER  29  -5.610   4.885  -3.003
  188   2HB   SER  29          1HB       SER  29  -4.236   4.576  -1.955
  189    HG   SER  29           HG       SER  29  -4.213   2.447  -2.650
  190    H    ASP  30           H        ASP  30  -8.276   4.564  -0.142
  191    HA   ASP  30           HA       ASP  30 -10.034   3.451  -2.240
  192   1HB   ASP  30          2HB       ASP  30 -10.354   2.949   0.280
  193   2HB   ASP  30          1HB       ASP  30 -10.909   4.604   0.432
  194    HA   PRO  31           HA       PRO  31 -10.335   7.576  -3.911
  195   1HB   PRO  31          2HB       PRO  31 -13.011   7.060  -4.945
  196   2HB   PRO  31          1HB       PRO  31 -11.500   7.239  -5.821
  197   1HG   PRO  31          2HG       PRO  31 -12.933   4.799  -5.292
  198   2HG   PRO  31          1HG       PRO  31 -11.399   4.968  -6.130
  199   1HD   PRO  31          2HD       PRO  31 -11.850   3.874  -3.496
  200   2HD   PRO  31          1HD       PRO  31 -10.298   4.070  -4.327
  201    NH1  ARG  32           NH2      ARG  32 -15.936  10.076  -3.122
  202    NH2  ARG  32           NH1      ARG  32 -17.760   8.950  -3.910
  203    H    ARG  32           H        ARG  32 -12.801   6.236  -1.851
  204    HA   ARG  32           HA       ARG  32 -14.182   8.738  -1.405
  205   1HB   ARG  32          2HB       ARG  32 -14.926   6.155  -1.092
  206   2HB   ARG  32          1HB       ARG  32 -14.387   6.449   0.544
  207   1HG   ARG  32          2HG       ARG  32 -16.540   7.226   0.816
  208   2HG   ARG  32          1HG       ARG  32 -15.878   8.715   0.180
  209   1HD   ARG  32          2HD       ARG  32 -17.421   6.575  -1.347
  210   2HD   ARG  32          1HD       ARG  32 -17.879   8.255  -1.102
  211    HE   ARG  32           HE       ARG  32 -15.569   7.396  -2.804
  212   1HH1  ARG  32          1HH2      ARG  32 -15.110  10.082  -2.558
  213   2HH1  ARG  32          2HH2      ARG  32 -16.195  10.892  -3.638
  214   1HH2  ARG  32          2HH1      ARG  32 -18.303   8.110  -3.935
  215   2HH2  ARG  32          1HH1      ARG  32 -18.047   9.747  -4.440
  216    H    ASN  33           H        ASN  33 -11.680   6.921   0.356
  217    HA   ASN  33           HA       ASN  33 -11.737   8.855   2.552
  218   1HB   ASN  33          2HB       ASN  33 -10.344   7.383   3.698
  219   2HB   ASN  33          1HB       ASN  33 -11.076   6.256   2.579
  220   1HD2  ASN  33          2HD2      ASN  33  -7.108   7.189   2.254
  221   2HD2  ASN  33          1HD2      ASN  33  -8.138   8.159   3.191
  222    HA   PRO  34           HA       PRO  34  -8.503  11.385   0.690
  223   1HB   PRO  34          2HB       PRO  34  -7.758  12.841   2.930
  224   2HB   PRO  34          1HB       PRO  34  -9.185  13.172   1.959
  225   1HG   PRO  34          2HG       PRO  34  -9.019  11.879   4.646
  226   2HG   PRO  34          1HG       PRO  34 -10.351  12.778   3.931
  227   1HD   PRO  34          2HD       PRO  34 -10.150   9.910   4.094
  228   2HD   PRO  34          1HD       PRO  34 -11.345  10.840   3.172
  229    H    LYS  35           H        LYS  35  -7.275   9.310   0.427
  230    HA   LYS  35           HA       LYS  35  -5.414   8.440   2.453
  231   1HB   LYS  35          2HB       LYS  35  -4.298   7.266   0.426
  232   2HB   LYS  35          1HB       LYS  35  -5.932   6.794   0.807
  233   1HG   LYS  35          2HG       LYS  35  -5.843   9.074  -1.101
  234   2HG   LYS  35          1HG       LYS  35  -4.985   7.665  -1.689
  235   1HD   LYS  35          2HD       LYS  35  -6.949   6.254  -1.361
  236   2HD   LYS  35          1HD       LYS  35  -7.817   7.562  -0.594
  237   1HE   LYS  35          2HE       LYS  35  -6.734   8.019  -3.377
  238   2HE   LYS  35          1HE       LYS  35  -8.152   7.002  -3.193
  239   1HZ   LYS  35          1HZ       LYS  35  -8.815   9.024  -1.633
  240   2HZ   LYS  35          3HZ       LYS  35  -7.836   9.843  -2.751
  241   3HZ   LYS  35          2HZ       LYS  35  -9.189   8.965  -3.287
  242    H    ALA  36           H        ALA  36  -4.240  10.124   3.189
  243    HA   ALA  36           HA       ALA  36  -2.771  11.956   1.446
  244   1HB   ALA  36          1HB       ALA  36  -2.731  11.526   4.465
  245   2HB   ALA  36          3HB       ALA  36  -1.899  12.835   3.638
  246   3HB   ALA  36          2HB       ALA  36  -3.653  12.746   3.603
  247    H    CYS  37           H        CYS  37  -1.592  10.416   0.264
  248    HA   CYS  37           HA       CYS  37   0.586   8.984   1.686
  249   1HB   CYS  37          2HB       CYS  37  -0.311   8.770  -1.180
  250   2HB   CYS  37          1HB       CYS  37   0.871   7.755  -0.402
  251    HA   PRO  38           HA       PRO  38   3.650  11.725  -0.203
  252   1HB   PRO  38          2HB       PRO  38   5.720   9.766  -0.227
  253   2HB   PRO  38          1HB       PRO  38   5.468  11.020   0.976
  254   1HG   PRO  38          2HG       PRO  38   4.992   8.145   1.217
  255   2HG   PRO  38          1HG       PRO  38   4.913   9.366   2.478
  256   1HD   PRO  38          2HD       PRO  38   2.694   8.038   1.172
  257   2HD   PRO  38          1HD       PRO  38   2.618   9.284   2.431
  258    NH1  ARG  39           NH2      ARG  39   1.292  15.159  -7.758
  259    NH2  ARG  39           NH1      ARG  39   0.545  14.936  -5.611
  260    H    ARG  39           H        ARG  39   4.700  11.900  -2.216
  261    HA   ARG  39           HA       ARG  39   3.539  10.200  -4.330
  262   1HB   ARG  39          2HB       ARG  39   3.755  12.843  -4.239
  263   2HB   ARG  39          1HB       ARG  39   5.387  12.562  -4.792
  264   1HG   ARG  39          2HG       ARG  39   4.526  12.520  -6.906
  265   2HG   ARG  39          1HG       ARG  39   3.899  10.933  -6.523
  266   1HD   ARG  39          2HD       ARG  39   2.027  12.244  -7.323
  267   2HD   ARG  39          1HD       ARG  39   1.811  12.117  -5.578
  268    HE   ARG  39           HE       ARG  39   3.308  14.446  -5.953
  269   1HH1  ARG  39          1HH2      ARG  39   1.992  14.962  -8.445
  270   2HH1  ARG  39          2HH2      ARG  39   0.489  15.702  -8.002
  271   1HH2  ARG  39          2HH1      ARG  39   0.683  14.572  -4.691
  272   2HH2  ARG  39          1HH1      ARG  39  -0.272  15.475  -5.819
  273    H    ASN  40           H        ASN  40   5.508   9.071  -2.594
  274    HA   ASN  40           HA       ASN  40   8.084   8.929  -3.882
  275   1HB   ASN  40          2HB       ASN  40   6.694   7.455  -1.633
  276   2HB   ASN  40          1HB       ASN  40   8.210   6.824  -2.255
  277   1HD2  ASN  40          2HD2      ASN  40   8.426  10.647  -0.753
  278   2HD2  ASN  40          1HD2      ASN  40   7.124  10.232  -1.760
  279    H    CYS  41           H        CYS  41   9.001   6.732  -4.340
  280    HA   CYS  41           HA       CYS  41   7.221   5.141  -6.139
  281   1HB   CYS  41          2HB       CYS  41  10.090   6.074  -6.554
  282   2HB   CYS  41          1HB       CYS  41   9.283   4.936  -7.604
  283    H    ASP  42           H        ASP  42   7.291   2.974  -5.763
  284    HA   ASP  42           HA       ASP  42   9.352   1.947  -3.864
  285   1HB   ASP  42          2HB       ASP  42   6.884   2.031  -3.137
  286   2HB   ASP  42          1HB       ASP  42   6.597   0.778  -4.328
  287    HA   PRO  43           HA       PRO  43  10.325  -0.274  -7.823
  288   1HB   PRO  43          2HB       PRO  43  12.974  -0.686  -6.725
  289   2HB   PRO  43          1HB       PRO  43  12.497   0.236  -8.141
  290   1HG   PRO  43          2HG       PRO  43  13.319   1.260  -5.570
  291   2HG   PRO  43          1HG       PRO  43  12.838   2.185  -6.983
  292   1HD   PRO  43          2HD       PRO  43  11.350   1.811  -4.535
  293   2HD   PRO  43          1HD       PRO  43  10.858   2.728  -5.972
  294    NH1  ARG  44           NH2      ARG  44  10.276  -1.048  -0.156
  295    NH2  ARG  44           NH1      ARG  44   8.278  -2.144  -0.148
  296    H    ARG  44           H        ARG  44  10.523  -1.036  -4.492
  297    HA   ARG  44           HA       ARG  44  11.293  -3.775  -4.616
  298   1HB   ARG  44          2HB       ARG  44  10.977  -2.092  -2.587
  299   2HB   ARG  44          1HB       ARG  44   9.359  -2.754  -2.554
  300   1HG   ARG  44          2HG       ARG  44  10.848  -5.072  -2.690
  301   2HG   ARG  44          1HG       ARG  44  11.928  -4.030  -1.784
  302   1HD   ARG  44          2HD       ARG  44   8.994  -4.524  -1.056
  303   2HD   ARG  44          1HD       ARG  44  10.364  -5.325  -0.303
  304    HE   ARG  44           HE       ARG  44  10.804  -3.366   0.922
  305   1HH1  ARG  44          1HH2      ARG  44  11.272  -1.073  -0.075
  306   2HH1  ARG  44          2HH2      ARG  44   9.805  -0.182  -0.318
  307   1HH2  ARG  44          2HH1      ARG  44   7.769  -3.000  -0.065
  308   2HH2  ARG  44          1HH1      ARG  44   7.791  -1.285  -0.303
  309    H    ILE  45           H        ILE  45   8.119  -2.241  -4.788
  310    HA   ILE  45           HA       ILE  45   6.681  -4.769  -4.893
  311    HB   ILE  45           HB       ILE  45   5.819  -2.457  -4.035
  312   1HG1  ILE  45          2HG1      ILE  45   4.037  -4.045  -5.939
  313   2HG1  ILE  45          1HG1      ILE  45   4.406  -4.506  -4.287
  314   1HG2  ILE  45          1HG2      ILE  45   6.414  -1.506  -6.541
  315   2HG2  ILE  45          3HG2      ILE  45   4.732  -1.914  -6.775
  316   3HG2  ILE  45          2HG2      ILE  45   5.194  -0.787  -5.511
  317   1HD1  ILE  45          2HD1      ILE  45   3.366  -2.410  -3.470
  318   2HD1  ILE  45          1HD1      ILE  45   2.991  -1.947  -5.124
  319   3HD1  ILE  45          3HD1      ILE  45   2.238  -3.365  -4.424
  320    H    ALA  46           H        ALA  46   5.275  -5.330  -6.708
  321    HA   ALA  46           HA       ALA  46   6.490  -4.720  -9.369
  322   1HB   ALA  46          3HB       ALA  46   6.947  -7.017  -8.512
  323   2HB   ALA  46          2HB       ALA  46   5.224  -7.335  -8.446
  324   3HB   ALA  46          1HB       ALA  46   6.011  -7.035  -9.993
  325    OH   TYR  47           OH       TYR  47   4.243 -10.823 -10.142
  326    H    TYR  47           H        TYR  47   3.625  -5.684  -7.570
  327    HA   TYR  47           HA       TYR  47   1.879  -3.888  -8.981
  328   1HB   TYR  47          2HB       TYR  47   0.464  -5.998  -9.957
  329   2HB   TYR  47          1HB       TYR  47   1.749  -5.272 -10.885
  330    HD1  TYR  47           HD2      TYR  47   1.123  -8.033  -8.422
  331    HD2  TYR  47           HD1      TYR  47   3.556  -6.606 -11.614
  332    HE1  TYR  47           HE2      TYR  47   2.292 -10.182  -8.506
  333    HE2  TYR  47           HE1      TYR  47   4.721  -8.754 -11.687
  334    HH   TYR  47           HH       TYR  47   5.066 -10.729  -9.658
  335    H    GLY  48           H        GLY  48  -0.534  -5.086  -8.652
  336   1HA   GLY  48          2HA       GLY  48  -0.660  -5.848  -5.756
  337   2HA   GLY  48          1HA       GLY  48  -1.759  -4.657  -6.458
  338    H    ILE  49           H        ILE  49  -1.545  -7.801  -5.578
  339    HA   ILE  49           HA       ILE  49  -2.994  -9.039  -7.802
  340    HB   ILE  49           HB       ILE  49  -2.490 -10.054  -4.956
  341   1HG1  ILE  49          2HG1      ILE  49  -0.311  -9.694  -5.976
  342   2HG1  ILE  49          1HG1      ILE  49  -0.634 -11.408  -5.995
  343   1HG2  ILE  49          1HG2      ILE  49  -3.493 -11.433  -7.475
  344   2HG2  ILE  49          3HG2      ILE  49  -2.814 -12.332  -6.127
  345   3HG2  ILE  49          2HG2      ILE  49  -4.258 -11.364  -5.898
  346   1HD1  ILE  49          3HD1      ILE  49  -1.508 -11.041  -8.428
  347   2HD1  ILE  49          2HD1      ILE  49  -0.719  -9.474  -8.326
  348   3HD1  ILE  49          1HD1      ILE  49   0.220 -10.947  -8.162
  349    H    CYS  50           H        CYS  50  -4.921  -8.091  -8.107
  350    HA   CYS  50           HA       CYS  50  -6.705  -7.510  -5.827
  351   1HB   CYS  50          2HB       CYS  50  -7.519  -7.103  -8.679
  352   2HB   CYS  50          1HB       CYS  50  -7.924  -6.162  -7.275
  353    HA   PRO  51           HA       PRO  51  -9.033 -11.259  -6.416
  354   1HB   PRO  51          2HB       PRO  51 -11.521 -10.305  -5.439
  355   2HB   PRO  51          1HB       PRO  51 -10.253 -11.078  -4.500
  356   1HG   PRO  51          2HG       PRO  51 -10.997  -8.222  -4.592
  357   2HG   PRO  51          1HG       PRO  51 -10.031  -9.066  -3.394
  358   1HD   PRO  51          2HD       PRO  51  -9.056  -7.312  -5.436
  359   2HD   PRO  51          1HD       PRO  51  -8.070  -8.346  -4.386
  360    H    LEU  52           H        LEU  52  -9.458 -11.767  -8.439
  361    HA   LEU  52           HA       LEU  52 -11.673 -10.410  -9.894
  362   1HB   LEU  52          2HB       LEU  52  -8.804 -10.779 -10.779
  363   2HB   LEU  52          1HB       LEU  52 -10.061 -10.817 -11.994
  364    HG   LEU  52           HG       LEU  52  -9.968  -8.524  -9.996
  365   1HD1  LEU  52          3HD1      LEU  52  -8.396  -8.724 -12.597
  366   2HD1  LEU  52          2HD1      LEU  52  -8.607  -7.253 -11.661
  367   3HD1  LEU  52          1HD1      LEU  52  -7.716  -8.602 -10.982
  368   1HD2  LEU  52          2HD2      LEU  52 -10.963  -8.763 -12.875
  369   2HD2  LEU  52          1HD2      LEU  52 -11.985  -8.785 -11.447
  370   3HD2  LEU  52          3HD2      LEU  52 -11.098  -7.332 -11.867
  371    H    ALA  53           H        ALA  53  -9.372 -13.074  -9.990
  372    HA   ALA  53           HA       ALA  53  -9.594 -15.334 -10.423
  373   1HB   ALA  53          3HB       ALA  53 -11.583 -14.903  -8.752
  374   2HB   ALA  53          2HB       ALA  53 -12.611 -15.105 -10.162
  375   3HB   ALA  53          1HB       ALA  53 -11.557 -16.411  -9.648
   
  Start of MODEL           5
 Raw file had  375 H/Q atoms
  Start of MODEL    5
    1   1H    ASP   1          2H        ASP   1  11.695   5.721 -16.828
    2   2H    ASP   1          1H        ASP   1   9.999   5.620 -16.832
    3   3H    ASP   1          3H        ASP   1  10.759   7.123 -17.040
    4    HA   ASP   1           HA       ASP   1  11.646   7.024 -14.809
    5   1HB   ASP   1          2HB       ASP   1   9.536   7.504 -13.682
    6   2HB   ASP   1          1HB       ASP   1   9.321   7.982 -15.353
    7    NH1  ARG   2           NH1      ARG   2  12.924   7.502 -11.923
    8    NH2  ARG   2           NH2      ARG   2  15.191   7.228 -12.021
    9    H    ARG   2           H        ARG   2  10.165   5.853 -12.712
   10    HA   ARG   2           HA       ARG   2  10.678   2.925 -12.946
   11   1HB   ARG   2          2HB       ARG   2  11.863   4.906 -10.994
   12   2HB   ARG   2          1HB       ARG   2  11.544   3.282 -10.432
   13   1HG   ARG   2          2HG       ARG   2  13.353   2.441 -11.491
   14   2HG   ARG   2          1HG       ARG   2  12.886   3.134 -13.029
   15   1HD   ARG   2          2HD       ARG   2  14.286   4.696 -10.818
   16   2HD   ARG   2          1HD       ARG   2  15.100   3.988 -12.211
   17    HE   ARG   2           HE       ARG   2  13.448   5.461 -13.587
   18   1HH1  ARG   2          2HH1      ARG   2  12.009   7.129 -12.077
   19   2HH1  ARG   2          1HH1      ARG   2  13.034   8.425 -11.552
   20   1HH2  ARG   2          1HH2      ARG   2  15.973   6.649 -12.249
   21   2HH2  ARG   2          2HH2      ARG   2  15.339   8.146 -11.654
   22    H    ILE   3           H        ILE   3   9.711   1.702 -11.204
   23    HA   ILE   3           HA       ILE   3   6.964   2.461 -10.786
   24    HB   ILE   3           HB       ILE   3   7.576   0.138 -11.219
   25   1HG1  ILE   3          2HG1      ILE   3   6.505  -1.068  -9.356
   26   2HG1  ILE   3          1HG1      ILE   3   6.696   0.314  -8.305
   27   1HG2  ILE   3          2HG2      ILE   3   9.665   0.616  -9.187
   28   2HG2  ILE   3          1HG2      ILE   3   8.852  -0.926  -8.991
   29   3HG2  ILE   3          3HG2      ILE   3   9.625  -0.527 -10.510
   30   1HD1  ILE   3          1HD1      ILE   3   5.205   0.510 -10.945
   31   2HD1  ILE   3          3HD1      ILE   3   4.405   0.027  -9.457
   32   3HD1  ILE   3          2HD1      ILE   3   5.137   1.619  -9.583
   33    H    CYS   4           H        CYS   4   7.305   4.421  -9.662
   34    HA   CYS   4           HA       CYS   4   8.352   4.321  -6.914
   35   1HB   CYS   4          2HB       CYS   4   7.639   6.436  -8.897
   36   2HB   CYS   4          1HB       CYS   4   7.517   6.890  -7.216
   37    H    THR   5           H        THR   5   6.209   2.729  -7.260
   38    HA   THR   5           HA       THR   5   3.719   3.956  -6.386
   39    HB   THR   5           HB       THR   5   3.677   1.833  -7.727
   40    HG1  THR   5           HG1      THR   5   2.027   1.266  -6.539
   41   1HG2  THR   5          3HG2      THR   5   5.894   0.999  -6.304
   42   2HG2  THR   5          2HG2      THR   5   4.641   0.276  -5.316
   43   3HG2  THR   5          1HG2      THR   5   4.768  -0.135  -7.019
   44    H    ASN   6           H        ASN   6   2.697   3.169  -4.319
   45    HA   ASN   6           HA       ASN   6   4.572   2.568  -2.116
   46   1HB   ASN   6          2HB       ASN   6   3.705   4.548  -0.777
   47   2HB   ASN   6          1HB       ASN   6   4.654   5.025  -2.170
   48   1HD2  ASN   6          2HD2      ASN   6   1.705   7.202  -2.303
   49   2HD2  ASN   6          1HD2      ASN   6   3.108   7.072  -1.374
   50    H    CYS   7           H        CYS   7   3.631   1.525  -0.462
   51    HA   CYS   7           HA       CYS   7   1.247   0.086  -0.829
   52   1HB   CYS   7          2HB       CYS   7   2.753  -0.836   0.651
   53   2HB   CYS   7          1HB       CYS   7   3.104   0.674   1.429
   54    H    CYS   8           H        CYS   8   1.742   3.238   0.409
   55    HA   CYS   8           HA       CYS   8  -0.723   3.521   1.893
   56   1HB   CYS   8          2HB       CYS   8   1.328   4.823   2.303
   57   2HB   CYS   8          1HB       CYS   8   1.206   5.545   0.732
   58    H    ALA   9           H        ALA   9   0.377   5.068  -1.084
   59    HA   ALA   9           HA       ALA   9  -2.407   5.650  -1.888
   60   1HB   ALA   9          2HB       ALA   9  -0.212   7.158  -2.124
   61   2HB   ALA   9          1HB       ALA   9  -0.089   6.354  -3.680
   62   3HB   ALA   9          3HB       ALA   9  -1.525   7.266  -3.276
   63    H    GLY  10           H        GLY  10  -2.522   3.208  -1.862
   64   1HA   GLY  10          2HA       GLY  10  -1.741   1.912  -4.425
   65   2HA   GLY  10          1HA       GLY  10  -2.355   1.089  -2.997
   66    H    THR  11           H        THR  11  -4.032   0.040  -4.004
   67    HA   THR  11           HA       THR  11  -6.355   1.696  -4.862
   68    HB   THR  11           HB       THR  11  -6.780  -0.139  -6.682
   69    HG1  THR  11           HG1      THR  11  -5.075  -1.435  -5.604
   70   1HG2  THR  11          3HG2      THR  11  -4.237   1.568  -6.941
   71   2HG2  THR  11          2HG2      THR  11  -5.156   0.883  -8.271
   72   3HG2  THR  11          1HG2      THR  11  -5.858   2.150  -7.279
   73    H    LYS  12           H        LYS  12  -7.702   1.367  -3.337
   74    HA   LYS  12           HA       LYS  12  -8.074  -0.784  -1.587
   75   1HB   LYS  12          2HB       LYS  12 -10.026   1.247  -2.709
   76   2HB   LYS  12          1HB       LYS  12 -10.518   0.082  -1.497
   77   1HG   LYS  12          2HG       LYS  12  -8.095   1.154  -0.491
   78   2HG   LYS  12          1HG       LYS  12  -8.911   2.530  -1.195
   79   1HD   LYS  12          2HD       LYS  12 -10.379   0.643   0.673
   80   2HD   LYS  12          1HD       LYS  12  -9.407   1.966   1.288
   81   1HE   LYS  12          2HE       LYS  12 -10.738   3.615   0.085
   82   2HE   LYS  12          1HE       LYS  12 -11.630   2.357  -0.760
   83   1HZ   LYS  12          2HZ       LYS  12 -11.615   2.427   2.174
   84   2HZ   LYS  12          1HZ       LYS  12 -12.644   3.456   1.299
   85   3HZ   LYS  12          3HZ       LYS  12 -12.771   1.773   1.116
   86    H    GLY  13           H        GLY  13  -7.915  -2.719  -2.463
   87   1HA   GLY  13          2HA       GLY  13  -9.904  -4.392  -3.057
   88   2HA   GLY  13          1HA       GLY  13  -9.760  -3.592  -4.620
   89    H    CYS  14           H        CYS  14  -6.793  -3.330  -4.276
   90    HA   CYS  14           HA       CYS  14  -6.106  -6.163  -4.951
   91   1HB   CYS  14          2HB       CYS  14  -4.929  -3.557  -5.904
   92   2HB   CYS  14          1HB       CYS  14  -4.262  -5.126  -6.284
   93    H    LYS  15           H        LYS  15  -4.463  -7.152  -4.084
   94    HA   LYS  15           HA       LYS  15  -3.208  -6.010  -1.671
   95   1HB   LYS  15          2HB       LYS  15  -2.965  -8.819  -2.835
   96   2HB   LYS  15          1HB       LYS  15  -2.555  -8.331  -1.209
   97   1HG   LYS  15          2HG       LYS  15  -5.094  -7.551  -1.091
   98   2HG   LYS  15          1HG       LYS  15  -5.303  -8.611  -2.464
   99   1HD   LYS  15          2HD       LYS  15  -4.366 -10.511  -1.176
  100   2HD   LYS  15          1HD       LYS  15  -4.111  -9.462   0.208
  101   1HE   LYS  15          2HE       LYS  15  -6.694  -8.952  -0.011
  102   2HE   LYS  15          1HE       LYS  15  -6.728 -10.423  -0.973
  103   1HZ   LYS  15          1HZ       LYS  15  -5.398 -11.359   1.036
  104   2HZ   LYS  15          3HZ       LYS  15  -6.116 -10.056   1.856
  105   3HZ   LYS  15          2HZ       LYS  15  -7.091 -11.230   1.102
  106    OH   TYR  16           OH       TYR  16  -2.176   0.198  -6.327
  107    H    TYR  16           H        TYR  16  -1.638  -4.623  -2.351
  108    HA   TYR  16           HA       TYR  16   0.101  -4.925  -4.562
  109   1HB   TYR  16          2HB       TYR  16   0.264  -3.348  -1.958
  110   2HB   TYR  16          1HB       TYR  16   1.629  -3.353  -3.066
  111    HD1  TYR  16           HD2      TYR  16  -2.111  -3.002  -3.149
  112    HD2  TYR  16           HD1      TYR  16   1.607  -1.761  -4.813
  113    HE1  TYR  16           HE2      TYR  16  -3.278  -1.437  -4.583
  114    HE2  TYR  16           HE1      TYR  16   0.428  -0.172  -6.253
  115    HH   TYR  16           HH       TYR  16  -3.084  -0.100  -6.370
  116    H    PHE  17           H        PHE  17   1.665  -6.243  -4.949
  117    HA   PHE  17           HA       PHE  17   3.188  -7.554  -2.780
  118   1HB   PHE  17          2HB       PHE  17   1.736  -9.263  -3.230
  119   2HB   PHE  17          1HB       PHE  17   1.352  -8.704  -4.837
  120    HD1  PHE  17           HD1      PHE  17   3.269  -8.964  -6.606
  121    HD2  PHE  17           HD2      PHE  17   3.008 -11.242  -3.014
  122    HE1  PHE  17           HE1      PHE  17   4.663 -10.699  -7.602
  123    HE2  PHE  17           HE2      PHE  17   4.398 -12.975  -4.008
  124    HZ   PHE  17           HZ       PHE  17   5.231 -12.697  -6.341
  125    H    SER  18           H        SER  18   5.172  -8.419  -3.384
  126    HA   SER  18           HA       SER  18   6.525  -6.927  -5.546
  127   1HB   SER  18          2HB       SER  18   7.492  -6.386  -3.436
  128   2HB   SER  18          1HB       SER  18   7.501  -8.074  -2.905
  129    HG   SER  18           HG       SER  18   9.141  -8.463  -4.084
  130    H    ASP  19           H        ASP  19   7.383  -7.842  -7.117
  131    HA   ASP  19           HA       ASP  19   6.968 -10.254  -8.263
  132   1HB   ASP  19          2HB       ASP  19   9.078  -9.842  -9.606
  133   2HB   ASP  19          1HB       ASP  19   8.003  -8.471  -9.529
  134    H    ASP  20           H        ASP  20   9.438  -9.832  -5.828
  135    HA   ASP  20           HA       ASP  20  11.094 -12.044  -6.438
  136   1HB   ASP  20          2HB       ASP  20  11.886 -11.906  -4.172
  137   2HB   ASP  20          1HB       ASP  20  11.448 -10.266  -4.615
  138    H    GLY  21           H        GLY  21   7.952 -11.948  -5.032
  139   1HA   GLY  21          2HA       GLY  21   6.544 -13.983  -5.313
  140   2HA   GLY  21          1HA       GLY  21   7.913 -14.927  -4.720
  141    H    THR  22           H        THR  22   6.950 -11.764  -3.513
  142    HA   THR  22           HA       THR  22   5.799 -12.976  -1.070
  143    HB   THR  22           HB       THR  22   8.166 -11.062  -1.135
  144    HG1  THR  22           HG1      THR  22   7.652 -13.748  -0.396
  145   1HG2  THR  22          2HG2      THR  22   6.368 -12.059   1.151
  146   2HG2  THR  22          1HG2      THR  22   8.056 -11.685   1.456
  147   3HG2  THR  22          3HG2      THR  22   6.971 -10.428   0.895
  148    H    PHE  23           H        PHE  23   4.249 -11.861  -0.181
  149    HA   PHE  23           HA       PHE  23   3.025  -9.660  -1.579
  150   1HB   PHE  23          2HB       PHE  23   1.615 -11.235  -0.521
  151   2HB   PHE  23          1HB       PHE  23   2.557 -11.237   0.945
  152    HD1  PHE  23           HD2      PHE  23   0.480  -8.923  -1.150
  153    HD2  PHE  23           HD1      PHE  23   1.764  -9.971   2.779
  154    HE1  PHE  23           HE2      PHE  23  -1.034  -7.255  -0.205
  155    HE2  PHE  23           HE1      PHE  23   0.240  -8.296   3.721
  156    HZ   PHE  23           HZ       PHE  23  -1.162  -6.939   2.236
  157    H    VAL  24           H        VAL  24   2.715  -7.520  -0.793
  158    HA   VAL  24           HA       VAL  24   4.877  -6.564   1.025
  159    HB   VAL  24           HB       VAL  24   3.477  -5.201  -1.321
  160   1HG1  VAL  24          3HG1      VAL  24   5.657  -4.206   0.538
  161   2HG1  VAL  24          2HG1      VAL  24   5.275  -3.466  -1.009
  162   3HG1  VAL  24          1HG1      VAL  24   4.072  -3.485   0.269
  163   1HG2  VAL  24          2HG2      VAL  24   5.216  -7.071  -1.776
  164   2HG2  VAL  24          1HG2      VAL  24   5.525  -5.519  -2.521
  165   3HG2  VAL  24          3HG2      VAL  24   6.405  -5.991  -1.076
  166    H    CYS  25           H        CYS  25   1.660  -5.571  -0.054
  167    HA   CYS  25           HA       CYS  25   0.488  -5.396   2.546
  168   1HB   CYS  25          2HB       CYS  25   1.074  -3.463   3.317
  169   2HB   CYS  25          1HB       CYS  25   2.160  -3.235   1.981
  170    H    GLU  26           H        GLU  26  -1.491  -3.864   2.441
  171    HA   GLU  26           HA       GLU  26  -2.932  -4.433  -0.104
  172   1HB   GLU  26          2HB       GLU  26  -3.663  -4.643   2.666
  173   2HB   GLU  26          1HB       GLU  26  -4.642  -3.357   2.010
  174   1HG   GLU  26          2HG       GLU  26  -5.987  -5.176   1.480
  175   2HG   GLU  26          1HG       GLU  26  -5.053  -5.077   0.001
  176    H    GLY  27           H        GLY  27  -3.521  -2.864  -1.453
  177   1HA   GLY  27          2HA       GLY  27  -2.664  -0.121  -1.057
  178   2HA   GLY  27          1HA       GLY  27  -3.671  -0.717  -2.392
  179    H    GLU  28           H        GLU  28  -3.671   0.974   0.537
  180    HA   GLU  28           HA       GLU  28  -6.560   0.621   1.026
  181   1HB   GLU  28          2HB       GLU  28  -4.530   0.636   2.750
  182   2HB   GLU  28          1HB       GLU  28  -4.798   2.359   2.728
  183   1HG   GLU  28          2HG       GLU  28  -7.411   1.236   2.978
  184   2HG   GLU  28          1HG       GLU  28  -6.403   0.205   3.973
  185    H    SER  29           H        SER  29  -5.205   2.503  -1.112
  186    HA   SER  29           HA       SER  29  -6.702   5.028  -0.453
  187   1HB   SER  29          2HB       SER  29  -4.311   4.345  -2.161
  188   2HB   SER  29          1HB       SER  29  -5.257   5.808  -2.457
  189    HG   SER  29           HG       SER  29  -4.451   5.014   0.137
  190    H    ASP  30           H        ASP  30  -8.483   5.447  -1.609
  191    HA   ASP  30           HA       ASP  30  -9.466   3.454  -3.487
  192   1HB   ASP  30          2HB       ASP  30 -11.243   4.291  -2.271
  193   2HB   ASP  30          1HB       ASP  30 -10.533   5.879  -2.102
  194    HA   PRO  31           HA       PRO  31  -7.984   5.735  -7.128
  195   1HB   PRO  31          2HB       PRO  31  -9.613   4.300  -8.972
  196   2HB   PRO  31          1HB       PRO  31  -7.959   3.937  -8.519
  197   1HG   PRO  31          2HG       PRO  31 -10.421   2.537  -7.723
  198   2HG   PRO  31          1HG       PRO  31  -8.754   1.994  -7.596
  199   1HD   PRO  31          2HD       PRO  31 -10.421   2.941  -5.463
  200   2HD   PRO  31          1HD       PRO  31  -8.700   2.540  -5.365
  201    NH1  ARG  32           NH2      ARG  32 -14.150   8.613 -10.870
  202    NH2  ARG  32           NH1      ARG  32 -16.233   9.400 -10.353
  203    H    ARG  32           H        ARG  32  -9.269   7.404  -5.913
  204    HA   ARG  32           HA       ARG  32 -10.739   9.061  -7.539
  205   1HB   ARG  32          2HB       ARG  32 -12.463   6.925  -6.468
  206   2HB   ARG  32          1HB       ARG  32 -12.963   8.459  -5.794
  207   1HG   ARG  32          2HG       ARG  32 -12.847   9.357  -8.234
  208   2HG   ARG  32          1HG       ARG  32 -12.785   7.670  -8.708
  209   1HD   ARG  32          2HD       ARG  32 -14.922   7.548  -7.017
  210   2HD   ARG  32          1HD       ARG  32 -15.054   9.232  -7.509
  211    HE   ARG  32           HE       ARG  32 -15.671   6.951  -9.149
  212   1HH1  ARG  32          1HH2      ARG  32 -13.389   8.005 -10.644
  213   2HH1  ARG  32          2HH2      ARG  32 -14.098   9.208 -11.671
  214   1HH2  ARG  32          2HH1      ARG  32 -17.029   9.378  -9.747
  215   2HH2  ARG  32          1HH1      ARG  32 -16.219  10.013 -11.142
  216    H    ASN  33           H        ASN  33  -9.821   7.976  -4.391
  217    HA   ASN  33           HA       ASN  33 -10.647  10.476  -3.096
  218   1HB   ASN  33          2HB       ASN  33 -10.047   9.457  -1.028
  219   2HB   ASN  33          1HB       ASN  33 -10.810   8.194  -1.958
  220   1HD2  ASN  33          2HD2      ASN  33  -7.769   6.807  -0.324
  221   2HD2  ASN  33          1HD2      ASN  33  -9.197   7.542   0.235
  222    HA   PRO  34           HA       PRO  34  -6.447  12.102  -3.474
  223   1HB   PRO  34          2HB       PRO  34  -6.788  14.395  -1.965
  224   2HB   PRO  34          1HB       PRO  34  -7.355  14.226  -3.620
  225   1HG   PRO  34          2HG       PRO  34  -8.946  14.144  -1.084
  226   2HG   PRO  34          1HG       PRO  34  -9.452  14.643  -2.693
  227   1HD   PRO  34          2HD       PRO  34  -9.970  12.077  -1.480
  228   2HD   PRO  34          1HD       PRO  34 -10.258  12.541  -3.166
  229    H    LYS  35           H        LYS  35  -6.428   9.917  -1.854
  230    HA   LYS  35           HA       LYS  35  -6.031  10.407   0.907
  231   1HB   LYS  35          2HB       LYS  35  -6.221   8.124  -0.273
  232   2HB   LYS  35          1HB       LYS  35  -4.534   8.297  -0.696
  233   1HG   LYS  35          2HG       LYS  35  -4.314   7.170   1.347
  234   2HG   LYS  35          1HG       LYS  35  -4.219   8.809   1.902
  235   1HD   LYS  35          2HD       LYS  35  -5.869   8.167   3.355
  236   2HD   LYS  35          1HD       LYS  35  -6.920   8.569   2.016
  237   1HE   LYS  35          2HE       LYS  35  -7.312   6.284   3.134
  238   2HE   LYS  35          1HE       LYS  35  -7.181   6.271   1.385
  239   1HZ   LYS  35          1HZ       LYS  35  -4.778   5.879   3.012
  240   2HZ   LYS  35          3HZ       LYS  35  -5.871   4.604   2.788
  241   3HZ   LYS  35          2HZ       LYS  35  -5.136   5.359   1.435
  242    H    ALA  36           H        ALA  36  -4.429  11.206   2.056
  243    HA   ALA  36           HA       ALA  36  -2.155  12.488   0.738
  244   1HB   ALA  36          3HB       ALA  36  -2.890  12.233   3.687
  245   2HB   ALA  36          2HB       ALA  36  -1.619  13.268   3.057
  246   3HB   ALA  36          1HB       ALA  36  -3.298  13.586   2.646
  247    H    CYS  37           H        CYS  37  -0.225  11.608   0.471
  248    HA   CYS  37           HA       CYS  37   0.794   9.527   2.287
  249   1HB   CYS  37          2HB       CYS  37   0.400   9.094  -0.677
  250   2HB   CYS  37          1HB       CYS  37   1.412   8.082   0.312
  251    HA   PRO  38           HA       PRO  38   4.685  11.429   0.908
  252   1HB   PRO  38          2HB       PRO  38   6.252   9.236   1.876
  253   2HB   PRO  38          1HB       PRO  38   6.024  10.798   2.635
  254   1HG   PRO  38          2HG       PRO  38   4.922   8.260   3.504
  255   2HG   PRO  38          1HG       PRO  38   4.738   9.831   4.263
  256   1HD   PRO  38          2HD       PRO  38   2.763   8.357   2.691
  257   2HD   PRO  38          1HD       PRO  38   2.546   9.878   3.577
  258    NH1  ARG  39           NH1      ARG  39   6.442  13.220  -5.712
  259    NH2  ARG  39           NH2      ARG  39   4.840  12.911  -7.310
  260    H    ARG  39           H        ARG  39   6.118  10.990  -0.781
  261    HA   ARG  39           HA       ARG  39   5.161   9.015  -2.734
  262   1HB   ARG  39          2HB       ARG  39   5.858  11.496  -3.172
  263   2HB   ARG  39          1HB       ARG  39   7.507  10.930  -3.074
  264   1HG   ARG  39          2HG       ARG  39   7.162  10.669  -5.366
  265   2HG   ARG  39          1HG       ARG  39   6.658   9.084  -4.829
  266   1HD   ARG  39          2HD       ARG  39   4.980  10.038  -6.395
  267   2HD   ARG  39          1HD       ARG  39   4.272   9.853  -4.797
  268    HE   ARG  39           HE       ARG  39   4.028  12.183  -4.717
  269   1HH1  ARG  39          2HH1      ARG  39   6.792  13.007  -4.800
  270   2HH1  ARG  39          1HH1      ARG  39   6.938  13.855  -6.303
  271   1HH2  ARG  39          1HH2      ARG  39   3.990  12.469  -7.596
  272   2HH2  ARG  39          2HH2      ARG  39   5.310  13.541  -7.929
  273    H    ASN  40           H        ASN  40   5.947   7.481  -0.899
  274    HA   ASN  40           HA       ASN  40   8.768   6.821  -0.819
  275   1HB   ASN  40          2HB       ASN  40   6.412   5.062   0.005
  276   2HB   ASN  40          1HB       ASN  40   8.073   4.942   0.575
  277   1HD2  ASN  40          2HD2      ASN  40   7.764   7.990   2.558
  278   2HD2  ASN  40          1HD2      ASN  40   8.861   7.270   1.480
  279    H    CYS  41           H        CYS  41   9.461   6.471  -2.893
  280    HA   CYS  41           HA       CYS  41   8.197   4.869  -4.865
  281   1HB   CYS  41          2HB       CYS  41  11.131   5.537  -4.376
  282   2HB   CYS  41          1HB       CYS  41  10.582   4.683  -5.797
  283    H    ASP  42           H        ASP  42   7.787   2.774  -4.817
  284    HA   ASP  42           HA       ASP  42   9.471   0.972  -3.138
  285   1HB   ASP  42          2HB       ASP  42   7.027   1.478  -2.468
  286   2HB   ASP  42          1HB       ASP  42   6.558   0.503  -3.847
  287    HA   PRO  43           HA       PRO  43  10.189  -0.497  -7.449
  288   1HB   PRO  43          2HB       PRO  43  12.750  -1.451  -6.450
  289   2HB   PRO  43          1HB       PRO  43  12.427  -0.252  -7.692
  290   1HG   PRO  43          2HG       PRO  43  13.334   0.225  -5.006
  291   2HG   PRO  43          1HG       PRO  43  12.955   1.428  -6.230
  292   1HD   PRO  43          2HD       PRO  43  11.436   0.778  -3.856
  293   2HD   PRO  43          1HD       PRO  43  11.063   2.004  -5.083
  294    NH1  ARG  44           NH1      ARG  44  10.328  -1.807  -0.160
  295    NH2  ARG  44           NH2      ARG  44  12.557  -2.240   0.081
  296    H    ARG  44           H        ARG  44  10.232  -1.895  -4.317
  297    HA   ARG  44           HA       ARG  44  10.632  -4.639  -4.990
  298   1HB   ARG  44          2HB       ARG  44   9.456  -3.127  -2.665
  299   2HB   ARG  44          1HB       ARG  44   9.001  -4.808  -2.797
  300   1HG   ARG  44          2HG       ARG  44  10.967  -4.733  -1.423
  301   2HG   ARG  44          1HG       ARG  44  11.468  -5.394  -2.964
  302   1HD   ARG  44          2HD       ARG  44  13.076  -3.653  -2.138
  303   2HD   ARG  44          1HD       ARG  44  12.342  -3.162  -3.656
  304    HE   ARG  44           HE       ARG  44  11.369  -1.358  -2.523
  305   1HH1  ARG  44          2HH1      ARG  44   9.541  -1.672  -0.762
  306   2HH1  ARG  44          1HH1      ARG  44  10.213  -1.750   0.832
  307   1HH2  ARG  44          1HH2      ARG  44  13.443  -2.432  -0.340
  308   2HH2  ARG  44          2HH2      ARG  44  12.475  -2.190   1.077
  309    H    ILE  45           H        ILE  45   7.666  -2.722  -4.625
  310    HA   ILE  45           HA       ILE  45   5.842  -4.787  -5.266
  311    HB   ILE  45           HB       ILE  45   5.761  -1.763  -5.322
  312   1HG1  ILE  45          2HG1      ILE  45   3.750  -3.699  -4.144
  313   2HG1  ILE  45          1HG1      ILE  45   5.314  -3.527  -3.384
  314   1HG2  ILE  45          1HG2      ILE  45   3.550  -3.532  -6.516
  315   2HG2  ILE  45          3HG2      ILE  45   3.351  -1.836  -6.116
  316   3HG2  ILE  45          2HG2      ILE  45   4.456  -2.306  -7.386
  317   1HD1  ILE  45          2HD1      ILE  45   3.447  -1.171  -3.907
  318   2HD1  ILE  45          1HD1      ILE  45   3.593  -2.002  -2.369
  319   3HD1  ILE  45          3HD1      ILE  45   4.959  -1.121  -3.024
  320    H    ALA  46           H        ALA  46   4.958  -5.463  -7.026
  321    HA   ALA  46           HA       ALA  46   6.006  -4.598  -9.686
  322   1HB   ALA  46          2HB       ALA  46   5.821  -7.439  -8.633
  323   2HB   ALA  46          1HB       ALA  46   6.203  -7.022 -10.299
  324   3HB   ALA  46          3HB       ALA  46   7.284  -6.544  -9.000
  325    OH   TYR  47           OH       TYR  47   6.310  -9.735 -12.216
  326    H    TYR  47           H        TYR  47   3.528  -6.306  -7.874
  327    HA   TYR  47           HA       TYR  47   1.512  -5.416  -9.842
  328   1HB   TYR  47          2HB       TYR  47   1.200  -8.321  -9.156
  329   2HB   TYR  47          1HB       TYR  47   0.828  -7.488 -10.644
  330    HD1  TYR  47           HD1      TYR  47   2.601  -7.143 -12.366
  331    HD2  TYR  47           HD2      TYR  47   3.382  -9.321  -8.797
  332    HE1  TYR  47           HE1      TYR  47   4.635  -8.064 -13.371
  333    HE2  TYR  47           HE2      TYR  47   5.418 -10.242  -9.803
  334    HH   TYR  47           HH       TYR  47   6.663  -9.086 -12.829
  335    H    GLY  48           H        GLY  48  -0.673  -6.370  -9.145
  336   1HA   GLY  48          2HA       GLY  48  -0.963  -6.165  -6.167
  337   2HA   GLY  48          1HA       GLY  48  -2.061  -5.354  -7.288
  338    H    ILE  49           H        ILE  49  -1.467  -8.181  -5.569
  339    HA   ILE  49           HA       ILE  49  -2.904 -10.036  -7.320
  340    HB   ILE  49           HB       ILE  49  -2.101 -10.295  -4.366
  341   1HG1  ILE  49          2HG1      ILE  49  -0.650 -11.499  -6.783
  342   2HG1  ILE  49          1HG1      ILE  49  -0.146  -9.994  -6.049
  343   1HG2  ILE  49          2HG2      ILE  49  -3.955 -11.864  -5.230
  344   2HG2  ILE  49          1HG2      ILE  49  -2.779 -12.513  -6.356
  345   3HG2  ILE  49          3HG2      ILE  49  -2.533 -12.683  -4.627
  346   1HD1  ILE  49          3HD1      ILE  49  -0.368 -12.627  -4.540
  347   2HD1  ILE  49          2HD1      ILE  49   1.112 -11.949  -5.178
  348   3HD1  ILE  49          1HD1      ILE  49   0.243 -11.109  -3.901
  349    H    CYS  50           H        CYS  50  -4.820  -8.939  -7.659
  350    HA   CYS  50           HA       CYS  50  -6.550  -8.171  -5.411
  351   1HB   CYS  50          2HB       CYS  50  -7.570  -8.221  -8.223
  352   2HB   CYS  50          1HB       CYS  50  -7.818  -7.041  -6.973
  353    HA   PRO  51           HA       PRO  51  -8.192 -12.336  -5.230
  354   1HB   PRO  51          2HB       PRO  51 -10.705 -11.430  -4.074
  355   2HB   PRO  51          1HB       PRO  51  -9.375 -12.269  -3.287
  356   1HG   PRO  51          2HG       PRO  51 -10.085  -9.480  -3.040
  357   2HG   PRO  51          1HG       PRO  51  -8.752 -10.315  -2.258
  358   1HD   PRO  51          2HD       PRO  51  -8.612  -8.409  -4.431
  359   2HD   PRO  51          1HD       PRO  51  -7.262  -9.252  -3.649
  360    H    LEU  52           H        LEU  52  -9.942  -9.667  -6.520
  361    HA   LEU  52           HA       LEU  52 -11.305 -11.432  -8.520
  362   1HB   LEU  52          2HB       LEU  52 -12.311  -8.870  -7.191
  363   2HB   LEU  52          1HB       LEU  52 -13.116  -9.637  -8.544
  364    HG   LEU  52           HG       LEU  52 -12.574 -11.087  -5.904
  365   1HD1  LEU  52          1HD1      LEU  52 -15.116  -9.675  -6.818
  366   2HD1  LEU  52          3HD1      LEU  52 -14.957 -10.652  -5.367
  367   3HD1  LEU  52          2HD1      LEU  52 -14.067  -9.147  -5.512
  368   1HD2  LEU  52          3HD2      LEU  52 -14.289 -11.715  -8.349
  369   2HD2  LEU  52          2HD2      LEU  52 -12.967 -12.671  -7.697
  370   3HD2  LEU  52          1HD2      LEU  52 -14.477 -12.554  -6.818
  371    H    ALA  53           H        ALA  53 -10.643 -11.028 -10.487
  372    HA   ALA  53           HA       ALA  53  -9.607 -10.056 -12.322
  373   1HB   ALA  53          3HB       ALA  53 -11.589  -8.435 -11.802
  374   2HB   ALA  53          2HB       ALA  53 -10.381  -7.350 -11.131
  375   3HB   ALA  53          1HB       ALA  53 -10.307  -7.808 -12.824
   
  Start of MODEL           6
 Raw file had  375 H/Q atoms
  Start of MODEL    6
    1   1H    ASP   1          2H        ASP   1   9.836   2.307 -15.154
    2   2H    ASP   1          1H        ASP   1  10.677   2.490 -16.618
    3   3H    ASP   1          3H        ASP   1  11.245   3.254 -15.209
    4    HA   ASP   1           HA       ASP   1  10.184   4.862 -16.609
    5   1HB   ASP   1          2HB       ASP   1   7.682   4.569 -17.062
    6   2HB   ASP   1          1HB       ASP   1   8.682   3.381 -17.871
    7    NH1  ARG   2           NH2      ARG   2  10.011   9.881  -8.865
    8    NH2  ARG   2           NH1      ARG   2   8.603  11.509  -9.627
    9    H    ARG   2           H        ARG   2  10.983   4.689 -14.080
   10    HA   ARG   2           HA       ARG   2  10.763   5.593 -11.961
   11   1HB   ARG   2          2HB       ARG   2  10.103   7.580 -13.420
   12   2HB   ARG   2          1HB       ARG   2   8.425   7.149 -13.177
   13   1HG   ARG   2          2HG       ARG   2   9.391   7.186 -10.555
   14   2HG   ARG   2          1HG       ARG   2  10.351   8.440 -11.313
   15   1HD   ARG   2          2HD       ARG   2   8.377   9.679 -11.979
   16   2HD   ARG   2          1HD       ARG   2   7.317   8.329 -11.582
   17    HE   ARG   2           HE       ARG   2   7.402   8.972  -9.328
   18   1HH1  ARG   2          1HH2      ARG   2  10.215   8.909  -8.759
   19   2HH1  ARG   2          2HH2      ARG   2  10.646  10.569  -8.512
   20   1HH2  ARG   2          2HH1      ARG   2   7.753  11.757 -10.091
   21   2HH2  ARG   2          1HH1      ARG   2   9.215  12.223  -9.288
   22    H    ILE   3           H        ILE   3  10.146   3.548 -11.180
   23    HA   ILE   3           HA       ILE   3   7.307   2.956 -10.728
   24    HB   ILE   3           HB       ILE   3   8.991   1.225 -11.441
   25   1HG1  ILE   3          2HG1      ILE   3   8.360  -0.573  -9.875
   26   2HG1  ILE   3          1HG1      ILE   3   7.769   0.589  -8.712
   27   1HG2  ILE   3          3HG2      ILE   3  10.248   1.685  -8.706
   28   2HG2  ILE   3          2HG2      ILE   3  10.632   0.356  -9.781
   29   3HG2  ILE   3          1HG2      ILE   3  10.975   2.005 -10.266
   30   1HD1  ILE   3          3HD1      ILE   3   6.709   0.535 -11.558
   31   2HD1  ILE   3          2HD1      ILE   3   6.037  -0.498 -10.307
   32   3HD1  ILE   3          1HD1      ILE   3   5.963   1.248 -10.134
   33    H    CYS   4           H        CYS   4   7.978   5.294  -9.541
   34    HA   CYS   4           HA       CYS   4   8.597   4.860  -6.716
   35   1HB   CYS   4          2HB       CYS   4   8.261   7.188  -8.534
   36   2HB   CYS   4          1HB       CYS   4   7.923   7.501  -6.852
   37    H    THR   5           H        THR   5   6.452   3.433  -7.323
   38    HA   THR   5           HA       THR   5   4.000   4.841  -6.467
   39    HB   THR   5           HB       THR   5   3.151   2.258  -6.686
   40    HG1  THR   5           HG1      THR   5   5.522   1.796  -6.960
   41   1HG2  THR   5          3HG2      THR   5   4.053   3.953  -9.075
   42   2HG2  THR   5          2HG2      THR   5   2.896   2.627  -9.151
   43   3HG2  THR   5          1HG2      THR   5   2.495   4.093  -8.271
   44    H    ASN   6           H        ASN   6   2.882   4.302  -4.663
   45    HA   ASN   6           HA       ASN   6   4.437   2.977  -2.449
   46   1HB   ASN   6          2HB       ASN   6   3.407   4.554  -0.926
   47   2HB   ASN   6          1HB       ASN   6   3.964   5.513  -2.277
   48   1HD2  ASN   6          2HD2      ASN   6   0.636   6.853  -1.788
   49   2HD2  ASN   6          1HD2      ASN   6   2.212   7.036  -1.211
   50    H    CYS   7           H        CYS   7   2.381   2.698  -0.659
   51    HA   CYS   7           HA       CYS   7   0.543   0.780  -2.079
   52   1HB   CYS   7          2HB       CYS   7   2.358   0.053  -0.222
   53   2HB   CYS   7          1HB       CYS   7   1.043   0.471   0.853
   54    H    CYS   8           H        CYS   8   0.883   3.303   0.242
   55    HA   CYS   8           HA       CYS   8  -1.633   3.338   1.526
   56   1HB   CYS   8          2HB       CYS   8   0.242   4.687   2.230
   57   2HB   CYS   8          1HB       CYS   8   0.325   5.481   0.701
   58    H    ALA   9           H        ALA   9  -0.498   5.132  -1.225
   59    HA   ALA   9           HA       ALA   9  -3.224   5.867  -2.108
   60   1HB   ALA   9          2HB       ALA   9  -1.188   7.441  -2.207
   61   2HB   ALA   9          1HB       ALA   9  -0.620   6.475  -3.559
   62   3HB   ALA   9          3HB       ALA   9  -2.145   7.334  -3.670
   63    H    GLY  10           H        GLY  10  -2.487   3.078  -2.104
   64   1HA   GLY  10          2HA       GLY  10  -1.950   2.201  -4.819
   65   2HA   GLY  10          1HA       GLY  10  -2.415   1.176  -3.468
   66    H    THR  11           H        THR  11  -4.352   0.287  -3.604
   67    HA   THR  11           HA       THR  11  -6.683   1.666  -4.734
   68    HB   THR  11           HB       THR  11  -7.081  -0.522  -6.259
   69    HG1  THR  11           HG1      THR  11  -5.277  -1.615  -6.621
   70   1HG2  THR  11          3HG2      THR  11  -6.375   1.928  -7.075
   71   2HG2  THR  11          2HG2      THR  11  -4.777   1.216  -7.236
   72   3HG2  THR  11          1HG2      THR  11  -6.125   0.568  -8.153
   73    H    LYS  12           H        LYS  12  -8.092   1.378  -3.174
   74    HA   LYS  12           HA       LYS  12  -8.156  -0.457  -1.119
   75   1HB   LYS  12          2HB       LYS  12 -10.105   1.351  -2.375
   76   2HB   LYS  12          1HB       LYS  12 -10.885  -0.011  -1.613
   77   1HG   LYS  12          2HG       LYS  12  -8.797   1.661  -0.187
   78   2HG   LYS  12          1HG       LYS  12 -10.505   2.016  -0.142
   79   1HD   LYS  12          2HD       LYS  12 -10.798  -0.467   0.658
   80   2HD   LYS  12          1HD       LYS  12  -9.085  -0.379   1.025
   81   1HE   LYS  12          2HE       LYS  12  -9.563   1.730   2.376
   82   2HE   LYS  12          1HE       LYS  12 -11.279   1.433   2.124
   83   1HZ   LYS  12          2HZ       LYS  12  -9.385  -0.441   3.391
   84   2HZ   LYS  12          1HZ       LYS  12 -10.485   0.548   4.225
   85   3HZ   LYS  12          3HZ       LYS  12 -11.055  -0.689   3.208
   86    H    GLY  13           H        GLY  13  -7.780  -2.520  -1.487
   87   1HA   GLY  13          2HA       GLY  13  -9.249  -4.616  -1.571
   88   2HA   GLY  13          1HA       GLY  13  -9.732  -4.076  -3.162
   89    H    CYS  14           H        CYS  14  -6.788  -3.272  -3.673
   90    HA   CYS  14           HA       CYS  14  -6.045  -5.922  -4.710
   91   1HB   CYS  14          2HB       CYS  14  -4.834  -3.176  -5.008
   92   2HB   CYS  14          1HB       CYS  14  -4.145  -4.601  -5.733
   93    H    LYS  15           H        LYS  15  -4.279  -7.089  -4.141
   94    HA   LYS  15           HA       LYS  15  -3.014  -6.399  -1.537
   95   1HB   LYS  15          2HB       LYS  15  -2.982  -9.016  -3.115
   96   2HB   LYS  15          1HB       LYS  15  -2.383  -8.789  -1.486
   97   1HG   LYS  15          2HG       LYS  15  -4.868  -7.890  -1.033
   98   2HG   LYS  15          1HG       LYS  15  -5.238  -8.792  -2.485
   99   1HD   LYS  15          2HD       LYS  15  -5.566 -10.479  -0.931
  100   2HD   LYS  15          1HD       LYS  15  -3.860 -10.735  -1.233
  101   1HE   LYS  15          2HE       LYS  15  -3.351  -9.214   0.736
  102   2HE   LYS  15          1HE       LYS  15  -5.079  -9.143   1.063
  103   1HZ   LYS  15          2HZ       LYS  15  -5.050 -11.586   1.222
  104   2HZ   LYS  15          1HZ       LYS  15  -3.358 -11.546   1.083
  105   3HZ   LYS  15          3HZ       LYS  15  -4.118 -10.809   2.412
  106    OH   TYR  16           OH       TYR  16  -1.935   0.060  -6.075
  107    H    TYR  16           H        TYR  16  -1.449  -4.962  -2.069
  108    HA   TYR  16           HA       TYR  16   0.254  -5.091  -4.365
  109   1HB   TYR  16          2HB       TYR  16   0.267  -3.656  -1.717
  110   2HB   TYR  16          1HB       TYR  16   1.718  -3.577  -2.719
  111    HD1  TYR  16           HD2      TYR  16  -2.011  -3.187  -2.934
  112    HD2  TYR  16           HD1      TYR  16   1.770  -2.003  -4.500
  113    HE1  TYR  16           HE2      TYR  16  -3.120  -1.555  -4.378
  114    HE2  TYR  16           HE1      TYR  16   0.655  -0.371  -5.943
  115    HH   TYR  16           HH       TYR  16  -1.381   0.842  -6.113
  116    H    PHE  17           H        PHE  17   1.747  -6.472  -4.804
  117    HA   PHE  17           HA       PHE  17   3.267  -7.835  -2.664
  118   1HB   PHE  17          2HB       PHE  17   1.685  -9.436  -3.086
  119   2HB   PHE  17          1HB       PHE  17   1.334  -8.863  -4.690
  120    HD1  PHE  17           HD1      PHE  17   3.373  -9.241  -6.423
  121    HD2  PHE  17           HD2      PHE  17   2.596 -11.559  -2.929
  122    HE1  PHE  17           HE1      PHE  17   4.566 -11.118  -7.395
  123    HE2  PHE  17           HE2      PHE  17   3.785 -13.440  -3.901
  124    HZ   PHE  17           HZ       PHE  17   4.778 -13.224  -6.174
  125    H    SER  18           H        SER  18   5.162  -8.904  -3.402
  126    HA   SER  18           HA       SER  18   6.554  -7.394  -5.548
  127   1HB   SER  18          2HB       SER  18   7.621  -6.972  -3.456
  128   2HB   SER  18          1HB       SER  18   7.584  -8.675  -2.984
  129    HG   SER  18           HG       SER  18   9.133  -7.315  -4.812
  130    H    ASP  19           H        ASP  19   7.317  -8.357  -7.153
  131    HA   ASP  19           HA       ASP  19   6.693 -10.804  -8.207
  132   1HB   ASP  19          2HB       ASP  19   8.844 -10.448  -9.647
  133   2HB   ASP  19          1HB       ASP  19   7.584  -9.237  -9.699
  134    H    ASP  20           H        ASP  20   9.142 -10.300  -5.826
  135    HA   ASP  20           HA       ASP  20  10.914 -12.424  -6.318
  136   1HB   ASP  20          2HB       ASP  20  11.573 -12.180  -4.019
  137   2HB   ASP  20          1HB       ASP  20  10.971 -10.593  -4.465
  138    H    GLY  21           H        GLY  21   7.711 -12.425  -5.062
  139   1HA   GLY  21          2HA       GLY  21   6.340 -14.465  -5.470
  140   2HA   GLY  21          1HA       GLY  21   7.679 -15.403  -4.806
  141    H    THR  22           H        THR  22   6.717 -12.263  -3.511
  142    HA   THR  22           HA       THR  22   5.298 -13.557  -1.263
  143    HB   THR  22           HB       THR  22   7.782 -11.843  -0.963
  144    HG1  THR  22           HG1      THR  22   8.548 -13.754  -1.176
  145   1HG2  THR  22          3HG2      THR  22   5.802 -13.037   1.074
  146   2HG2  THR  22          2HG2      THR  22   7.476 -12.772   1.526
  147   3HG2  THR  22          1HG2      THR  22   6.469 -11.413   1.078
  148    H    PHE  23           H        PHE  23   3.967 -12.286  -0.134
  149    HA   PHE  23           HA       PHE  23   2.853  -9.972  -1.442
  150   1HB   PHE  23          2HB       PHE  23   1.385 -11.435  -0.256
  151   2HB   PHE  23          1HB       PHE  23   2.418 -11.455   1.149
  152    HD1  PHE  23           HD2      PHE  23   2.437  -9.473   2.710
  153    HD2  PHE  23           HD1      PHE  23  -0.198  -9.626  -0.639
  154    HE1  PHE  23           HE2      PHE  23   1.120  -7.638   3.661
  155    HE2  PHE  23           HE1      PHE  23  -1.506  -7.798   0.316
  156    HZ   PHE  23           HZ       PHE  23  -0.856  -6.791   2.466
  157    H    VAL  24           H        VAL  24   2.705  -7.797  -0.438
  158    HA   VAL  24           HA       VAL  24   5.003  -7.184   1.361
  159    HB   VAL  24           HB       VAL  24   4.187  -5.896  -1.259
  160   1HG1  VAL  24          2HG1      VAL  24   4.576  -4.062   0.433
  161   2HG1  VAL  24          1HG1      VAL  24   6.189  -4.711   0.700
  162   3HG1  VAL  24          3HG1      VAL  24   5.723  -4.082  -0.874
  163   1HG2  VAL  24          3HG2      VAL  24   6.778  -7.082  -0.195
  164   2HG2  VAL  24          2HG2      VAL  24   5.774  -7.711  -1.494
  165   3HG2  VAL  24          1HG2      VAL  24   6.654  -6.208  -1.712
  166    H    CYS  25           H        CYS  25   2.032  -5.862   0.029
  167    HA   CYS  25           HA       CYS  25   1.068  -4.953   2.616
  168   1HB   CYS  25          2HB       CYS  25   1.134  -2.526   2.031
  169   2HB   CYS  25          1HB       CYS  25   2.757  -3.189   2.041
  170    H    GLU  26           H        GLU  26  -0.878  -3.303   2.014
  171    HA   GLU  26           HA       GLU  26  -2.358  -4.401  -0.332
  172   1HB   GLU  26          2HB       GLU  26  -3.032  -4.496   2.552
  173   2HB   GLU  26          1HB       GLU  26  -4.323  -3.879   1.562
  174   1HG   GLU  26          2HG       GLU  26  -4.583  -5.841   0.322
  175   2HG   GLU  26          1HG       GLU  26  -2.941  -6.378   0.630
  176    H    GLY  27           H        GLY  27  -3.441  -3.009  -1.488
  177   1HA   GLY  27          2HA       GLY  27  -2.991  -0.171  -1.203
  178   2HA   GLY  27          1HA       GLY  27  -4.023  -0.956  -2.405
  179    H    GLU  28           H        GLU  28  -4.046   0.996   0.267
  180    HA   GLU  28           HA       GLU  28  -6.882   0.339   0.948
  181   1HB   GLU  28          2HB       GLU  28  -4.696   1.616   2.642
  182   2HB   GLU  28          1HB       GLU  28  -6.353   1.439   3.175
  183   1HG   GLU  28          2HG       GLU  28  -4.348  -0.773   2.609
  184   2HG   GLU  28          1HG       GLU  28  -5.180  -0.434   4.111
  185    H    SER  29           H        SER  29  -5.935   2.197  -1.195
  186    HA   SER  29           HA       SER  29  -6.924   4.826  -0.191
  187   1HB   SER  29          2HB       SER  29  -6.463   5.216  -2.896
  188   2HB   SER  29          1HB       SER  29  -5.221   5.407  -1.660
  189    HG   SER  29           HG       SER  29  -5.857   3.005  -3.026
  190    H    ASP  30           H        ASP  30  -9.039   4.926  -0.047
  191    HA   ASP  30           HA       ASP  30 -10.793   3.455  -1.868
  192   1HB   ASP  30          2HB       ASP  30 -11.110   3.829   0.721
  193   2HB   ASP  30          1HB       ASP  30 -11.718   5.398   0.248
  194    HA   PRO  31           HA       PRO  31 -11.623   7.215  -4.283
  195   1HB   PRO  31          2HB       PRO  31 -13.815   6.119  -5.692
  196   2HB   PRO  31          1HB       PRO  31 -12.137   6.085  -6.202
  197   1HG   PRO  31          2HG       PRO  31 -13.776   3.879  -5.119
  198   2HG   PRO  31          1HG       PRO  31 -12.277   3.794  -6.032
  199   1HD   PRO  31          2HD       PRO  31 -12.584   3.413  -3.206
  200   2HD   PRO  31          1HD       PRO  31 -11.054   3.510  -4.095
  201    NH1  ARG  32           NH1      ARG  32 -17.548   5.812  -4.031
  202    NH2  ARG  32           NH2      ARG  32 -19.753   5.512  -3.541
  203    H    ARG  32           H        ARG  32 -12.184   7.862  -2.061
  204    HA   ARG  32           HA       ARG  32 -14.489   9.334  -1.836
  205   1HB   ARG  32          2HB       ARG  32 -15.028   6.511  -1.188
  206   2HB   ARG  32          1HB       ARG  32 -15.278   7.495   0.234
  207   1HG   ARG  32          2HG       ARG  32 -16.855   8.901  -0.873
  208   2HG   ARG  32          1HG       ARG  32 -16.426   8.277  -2.454
  209   1HD   ARG  32          2HD       ARG  32 -17.194   5.933  -1.271
  210   2HD   ARG  32          1HD       ARG  32 -18.190   7.065  -0.362
  211    HE   ARG  32           HE       ARG  32 -19.123   7.851  -2.513
  212   1HH1  ARG  32          2HH1      ARG  32 -16.678   6.274  -3.865
  213   2HH1  ARG  32          1HH1      ARG  32 -17.602   5.103  -4.734
  214   1HH2  ARG  32          1HH2      ARG  32 -20.554   5.768  -2.999
  215   2HH2  ARG  32          2HH2      ARG  32 -19.824   4.792  -4.232
  216    H    ASN  33           H        ASN  33 -11.990   7.485  -0.194
  217    HA   ASN  33           HA       ASN  33 -12.195   9.211   2.178
  218   1HB   ASN  33          2HB       ASN  33 -10.556   7.777   3.206
  219   2HB   ASN  33          1HB       ASN  33 -11.744   6.777   2.414
  220   1HD2  ASN  33          2HD2      ASN  33  -8.561   5.147   1.762
  221   2HD2  ASN  33          1HD2      ASN  33  -9.602   5.462   3.054
  222    HA   PRO  34           HA       PRO  34  -8.901  11.909   0.697
  223   1HB   PRO  34          2HB       PRO  34  -8.482  13.292   3.085
  224   2HB   PRO  34          1HB       PRO  34  -9.760  13.646   1.935
  225   1HG   PRO  34          2HG       PRO  34  -9.962  12.271   4.572
  226   2HG   PRO  34          1HG       PRO  34 -11.198  13.156   3.686
  227   1HD   PRO  34          2HD       PRO  34 -10.938  10.301   3.826
  228   2HD   PRO  34          1HD       PRO  34 -12.015  11.220   2.758
  229    H    LYS  35           H        LYS  35  -7.773   9.689   0.659
  230    HA   LYS  35           HA       LYS  35  -5.969   9.084   2.865
  231   1HB   LYS  35          2HB       LYS  35  -6.969   7.379   1.264
  232   2HB   LYS  35          1HB       LYS  35  -5.916   7.998   0.012
  233   1HG   LYS  35          2HG       LYS  35  -4.212   6.705   0.777
  234   2HG   LYS  35          1HG       LYS  35  -4.245   7.514   2.327
  235   1HD   LYS  35          2HD       LYS  35  -6.169   5.282   1.628
  236   2HD   LYS  35          1HD       LYS  35  -4.600   4.955   2.326
  237   1HE   LYS  35          2HE       LYS  35  -5.196   5.833   4.402
  238   2HE   LYS  35          1HE       LYS  35  -6.350   6.975   3.731
  239   1HZ   LYS  35          3HZ       LYS  35  -7.190   4.373   3.134
  240   2HZ   LYS  35          2HZ       LYS  35  -6.851   4.467   4.794
  241   3HZ   LYS  35          1HZ       LYS  35  -7.959   5.545   4.092
  242    H    ALA  36           H        ALA  36  -4.857  11.015   3.104
  243    HA   ALA  36           HA       ALA  36  -3.216  12.154   0.966
  244   1HB   ALA  36          2HB       ALA  36  -3.382  12.694   3.963
  245   2HB   ALA  36          1HB       ALA  36  -2.373  13.622   2.862
  246   3HB   ALA  36          3HB       ALA  36  -4.121  13.646   2.685
  247    H    CYS  37           H        CYS  37  -1.678  10.816   0.294
  248    HA   CYS  37           HA       CYS  37   0.034   9.387   2.254
  249   1HB   CYS  37          2HB       CYS  37  -0.130   8.991  -0.715
  250   2HB   CYS  37          1HB       CYS  37   0.692   7.973   0.432
  251    HA   PRO  38           HA       PRO  38   3.712  11.602   0.703
  252   1HB   PRO  38          2HB       PRO  38   5.465   9.549   1.639
  253   2HB   PRO  38          1HB       PRO  38   5.143  11.102   2.397
  254   1HG   PRO  38          2HG       PRO  38   4.267   8.476   3.296
  255   2HG   PRO  38          1HG       PRO  38   4.016  10.023   4.086
  256   1HD   PRO  38          2HD       PRO  38   2.086   8.426   2.580
  257   2HD   PRO  38          1HD       PRO  38   1.795   9.912   3.506
  258    NH1  ARG  39           NH1      ARG  39   6.273  14.661  -0.205
  259    NH2  ARG  39           NH2      ARG  39   4.271  15.079  -1.221
  260    H    ARG  39           H        ARG  39   5.275  11.093  -0.916
  261    HA   ARG  39           HA       ARG  39   4.311   9.105  -2.869
  262   1HB   ARG  39          2HB       ARG  39   5.954  10.264  -4.387
  263   2HB   ARG  39          1HB       ARG  39   4.787  11.353  -3.678
  264   1HG   ARG  39          2HG       ARG  39   7.089  11.208  -1.890
  265   2HG   ARG  39          1HG       ARG  39   7.668  11.477  -3.518
  266   1HD   ARG  39          2HD       ARG  39   7.273  13.650  -2.552
  267   2HD   ARG  39          1HD       ARG  39   5.962  13.391  -3.697
  268    HE   ARG  39           HE       ARG  39   4.821  12.445  -1.434
  269   1HH1  ARG  39          2HH1      ARG  39   7.059  14.056  -0.080
  270   2HH1  ARG  39          1HH1      ARG  39   6.221  15.524   0.298
  271   1HH2  ARG  39          1HH2      ARG  39   3.557  14.788  -1.856
  272   2HH2  ARG  39          2HH2      ARG  39   4.184  15.950  -0.735
  273    H    ASN  40           H        ASN  40   5.064   7.595  -1.021
  274    HA   ASN  40           HA       ASN  40   7.820   6.945  -0.675
  275   1HB   ASN  40          2HB       ASN  40   5.589   4.889  -0.454
  276   2HB   ASN  40          1HB       ASN  40   7.050   5.021   0.505
  277   1HD2  ASN  40          2HD2      ASN  40   5.702   7.430   2.736
  278   2HD2  ASN  40          1HD2      ASN  40   7.125   6.699   2.173
  279    H    CYS  41           H        CYS  41   9.110   6.433  -2.291
  280    HA   CYS  41           HA       CYS  41   8.199   5.149  -4.724
  281   1HB   CYS  41          2HB       CYS  41  10.982   5.765  -3.645
  282   2HB   CYS  41          1HB       CYS  41  10.702   5.060  -5.215
  283    H    ASP  42           H        ASP  42   7.736   3.027  -4.829
  284    HA   ASP  42           HA       ASP  42   9.357   1.133  -3.187
  285   1HB   ASP  42          2HB       ASP  42   6.802   1.574  -2.575
  286   2HB   ASP  42          1HB       ASP  42   6.469   0.589  -3.981
  287    HA   PRO  43           HA       PRO  43   9.958  -0.214  -7.576
  288   1HB   PRO  43          2HB       PRO  43  12.727  -0.723  -6.858
  289   2HB   PRO  43          1HB       PRO  43  12.115   0.428  -8.030
  290   1HG   PRO  43          2HG       PRO  43  13.234   1.009  -5.457
  291   2HG   PRO  43          1HG       PRO  43  12.527   2.158  -6.583
  292   1HD   PRO  43          2HD       PRO  43  11.397   1.159  -4.076
  293   2HD   PRO  43          1HD       PRO  43  10.769   2.437  -5.128
  294    NH1  ARG  44           NH2      ARG  44   7.954  -3.774  -1.484
  295    NH2  ARG  44           NH1      ARG  44   8.642  -2.668   0.388
  296    H    ARG  44           H        ARG  44  10.677  -1.347  -4.421
  297    HA   ARG  44           HA       ARG  44  11.385  -4.045  -4.931
  298   1HB   ARG  44          2HB       ARG  44  11.640  -2.884  -2.761
  299   2HB   ARG  44          1HB       ARG  44   9.909  -2.813  -2.568
  300   1HG   ARG  44          2HG       ARG  44   9.861  -5.361  -2.569
  301   2HG   ARG  44          1HG       ARG  44  11.608  -5.353  -2.714
  302   1HD   ARG  44          2HD       ARG  44  11.447  -5.505  -0.394
  303   2HD   ARG  44          1HD       ARG  44  11.407  -3.755  -0.522
  304    HE   ARG  44           HE       ARG  44   9.268  -5.388   0.435
  305   1HH1  ARG  44          1HH2      ARG  44   8.028  -4.570  -2.085
  306   2HH1  ARG  44          2HH2      ARG  44   7.307  -3.042  -1.697
  307   1HH2  ARG  44          2HH1      ARG  44   9.224  -2.636   1.200
  308   2HH2  ARG  44          1HH1      ARG  44   8.011  -1.917   0.191
  309    H    ILE  45           H        ILE  45   8.257  -2.464  -4.872
  310    HA   ILE  45           HA       ILE  45   6.723  -4.947  -4.883
  311    HB   ILE  45           HB       ILE  45   6.154  -1.987  -5.011
  312   1HG1  ILE  45          2HG1      ILE  45   4.484  -4.132  -3.664
  313   2HG1  ILE  45          1HG1      ILE  45   6.053  -3.731  -3.011
  314   1HG2  ILE  45          3HG2      ILE  45   4.098  -3.998  -6.041
  315   2HG2  ILE  45          2HG2      ILE  45   3.756  -2.327  -5.631
  316   3HG2  ILE  45          1HG2      ILE  45   4.819  -2.693  -6.972
  317   1HD1  ILE  45          1HD1      ILE  45   4.878  -1.201  -3.401
  318   2HD1  ILE  45          3HD1      ILE  45   3.548  -2.202  -2.851
  319   3HD1  ILE  45          2HD1      ILE  45   4.996  -2.054  -1.874
  320    H    ALA  46           H        ALA  46   5.430  -5.642  -6.644
  321    HA   ALA  46           HA       ALA  46   6.621  -5.078  -9.330
  322   1HB   ALA  46          1HB       ALA  46   5.436  -7.648  -8.220
  323   2HB   ALA  46          3HB       ALA  46   6.008  -7.430  -9.871
  324   3HB   ALA  46          2HB       ALA  46   7.129  -7.306  -8.531
  325    OH   TYR  47           OH       TYR  47   3.769 -11.433  -9.670
  326    H    TYR  47           H        TYR  47   3.703  -5.987  -7.576
  327    HA   TYR  47           HA       TYR  47   2.016  -4.224  -9.085
  328   1HB   TYR  47          2HB       TYR  47   0.631  -6.189 -10.194
  329   2HB   TYR  47          1HB       TYR  47   2.105  -5.682 -10.982
  330    HD1  TYR  47           HD1      TYR  47   0.815  -8.204  -8.520
  331    HD2  TYR  47           HD2      TYR  47   3.824  -7.254 -11.386
  332    HE1  TYR  47           HE1      TYR  47   1.710 -10.477  -8.347
  333    HE2  TYR  47           HE2      TYR  47   4.710  -9.526 -11.206
  334    HH   TYR  47           HH       TYR  47   4.689 -11.372  -9.404
  335    H    GLY  48           H        GLY  48  -0.386  -4.975  -8.833
  336   1HA   GLY  48          2HA       GLY  48  -0.750  -5.771  -5.972
  337   2HA   GLY  48          1HA       GLY  48  -1.828  -4.711  -6.870
  338    H    ILE  49           H        ILE  49  -1.303  -7.852  -5.830
  339    HA   ILE  49           HA       ILE  49  -2.735  -9.235  -7.977
  340    HB   ILE  49           HB       ILE  49  -2.046 -10.167  -5.129
  341   1HG1  ILE  49          2HG1      ILE  49  -0.496 -10.739  -7.713
  342   2HG1  ILE  49          1HG1      ILE  49   0.008  -9.569  -6.510
  343   1HG2  ILE  49          3HG2      ILE  49  -3.895 -11.420  -6.468
  344   2HG2  ILE  49          2HG2      ILE  49  -2.619 -11.910  -7.566
  345   3HG2  ILE  49          1HG2      ILE  49  -2.570 -12.398  -5.880
  346   1HD1  ILE  49          3HD1      ILE  49   0.135 -11.361  -4.801
  347   2HD1  ILE  49          2HD1      ILE  49  -0.360 -12.547  -6.002
  348   3HD1  ILE  49          1HD1      ILE  49   1.167 -11.712  -6.180
  349    H    CYS  50           H        CYS  50  -4.611  -8.056  -8.109
  350    HA   CYS  50           HA       CYS  50  -6.352  -7.671  -5.783
  351   1HB   CYS  50          2HB       CYS  50  -7.213  -7.154  -8.612
  352   2HB   CYS  50          1HB       CYS  50  -7.656  -6.305  -7.160
  353    HA   PRO  51           HA       PRO  51  -8.503 -11.542  -6.559
  354   1HB   PRO  51          2HB       PRO  51 -10.828 -10.817  -5.064
  355   2HB   PRO  51          1HB       PRO  51  -9.460 -11.768  -4.510
  356   1HG   PRO  51          2HG       PRO  51 -10.137  -9.004  -3.826
  357   2HG   PRO  51          1HG       PRO  51  -8.903 -10.032  -3.113
  358   1HD   PRO  51          2HD       PRO  51  -8.494  -7.831  -4.934
  359   2HD   PRO  51          1HD       PRO  51  -7.261  -8.923  -4.275
  360    H    LEU  52           H        LEU  52 -10.130 -12.264  -7.905
  361    HA   LEU  52           HA       LEU  52 -12.132 -10.419  -9.001
  362   1HB   LEU  52          2HB       LEU  52  -9.867 -10.131 -10.299
  363   2HB   LEU  52          1HB       LEU  52 -10.181 -11.726 -10.942
  364    HG   LEU  52           HG       LEU  52 -12.573 -10.710 -11.558
  365   1HD1  LEU  52          1HD1      LEU  52 -10.845  -8.198 -11.354
  366   2HD1  LEU  52          3HD1      LEU  52 -12.462  -8.274 -12.037
  367   3HD1  LEU  52          2HD1      LEU  52 -12.220  -8.564 -10.325
  368   1HD2  LEU  52          2HD2      LEU  52 -10.031  -9.939 -13.054
  369   2HD2  LEU  52          1HD2      LEU  52 -10.918 -11.445 -13.237
  370   3HD2  LEU  52          3HD2      LEU  52 -11.648  -9.931 -13.740
  371    H    ALA  53           H        ALA  53 -13.890 -11.570  -8.971
  372    HA   ALA  53           HA       ALA  53 -14.103 -14.161 -10.281
  373   1HB   ALA  53          1HB       ALA  53 -14.446 -13.967  -7.254
  374   2HB   ALA  53          3HB       ALA  53 -14.935 -15.355  -8.215
  375   3HB   ALA  53          2HB       ALA  53 -13.237 -14.917  -8.105
   
  Start of MODEL           7
 Raw file had  375 H/Q atoms
  Start of MODEL    7
    1   1H    ASP   1          1H        ASP   1  14.075   5.439 -16.142
    2   2H    ASP   1          3H        ASP   1  14.489   3.794 -16.051
    3   3H    ASP   1          2H        ASP   1  13.358   4.320 -17.201
    4    HA   ASP   1           HA       ASP   1  11.803   4.904 -15.503
    5   1HB   ASP   1          2HB       ASP   1  12.009   2.476 -16.348
    6   2HB   ASP   1          1HB       ASP   1  12.910   2.120 -14.886
    7    NH1  ARG   2           NH2      ARG   2  11.731  10.569 -14.321
    8    NH2  ARG   2           NH1      ARG   2  12.238  12.121 -12.723
    9    H    ARG   2           H        ARG   2  11.314   5.215 -13.366
   10    HA   ARG   2           HA       ARG   2  13.261   4.720 -11.227
   11   1HB   ARG   2          2HB       ARG   2  13.387   7.158 -10.598
   12   2HB   ARG   2          1HB       ARG   2  14.140   6.827 -12.140
   13   1HG   ARG   2          2HG       ARG   2  12.674   8.129 -13.301
   14   2HG   ARG   2          1HG       ARG   2  11.272   7.511 -12.451
   15   1HD   ARG   2          2HD       ARG   2  11.823   8.978 -10.495
   16   2HD   ARG   2          1HD       ARG   2  13.195   9.630 -11.385
   17    HE   ARG   2           HE       ARG   2  10.351  10.195 -11.904
   18   1HH1  ARG   2          1HH2      ARG   2  11.359   9.670 -14.552
   19   2HH1  ARG   2          2HH2      ARG   2  12.081  11.168 -15.041
   20   1HH2  ARG   2          2HH1      ARG   2  12.245  12.385 -11.758
   21   2HH2  ARG   2          1HH1      ARG   2  12.596  12.746 -13.417
   22    H    ILE   3           H        ILE   3  10.864   3.631 -11.566
   23    HA   ILE   3           HA       ILE   3   8.524   4.706 -10.636
   24    HB   ILE   3           HB       ILE   3   8.827   2.376 -11.462
   25   1HG1  ILE   3          2HG1      ILE   3   7.389   1.190  -9.638
   26   2HG1  ILE   3          1HG1      ILE   3   7.431   2.704  -8.765
   27   1HG2  ILE   3          2HG2      ILE   3  10.933   1.886 -10.153
   28   2HG2  ILE   3          1HG2      ILE   3   9.944   1.724  -8.713
   29   3HG2  ILE   3          3HG2      ILE   3   9.731   0.611 -10.049
   30   1HD1  ILE   3          1HD1      ILE   3   6.511   2.476 -11.667
   31   2HD1  ILE   3          3HD1      ILE   3   5.417   2.405 -10.298
   32   3HD1  ILE   3          2HD1      ILE   3   6.333   3.869 -10.611
   33    H    CYS   4           H        CYS   4   7.701   5.464  -8.834
   34    HA   CYS   4           HA       CYS   4   9.015   4.948  -6.239
   35   1HB   CYS   4          2HB       CYS   4   8.611   7.513  -7.716
   36   2HB   CYS   4          1HB       CYS   4   8.333   7.564  -6.002
   37    H    THR   5           H        THR   5   6.937   3.588  -7.054
   38    HA   THR   5           HA       THR   5   4.378   4.731  -6.234
   39    HB   THR   5           HB       THR   5   4.539   2.943  -8.044
   40    HG1  THR   5           HG1      THR   5   2.819   1.780  -7.151
   41   1HG2  THR   5          1HG2      THR   5   6.363   1.556  -6.781
   42   2HG2  THR   5          3HG2      THR   5   5.081   1.023  -5.708
   43   3HG2  THR   5          2HG2      THR   5   5.018   0.626  -7.417
   44    H    ASN   6           H        ASN   6   3.075   3.472  -4.577
   45    HA   ASN   6           HA       ASN   6   4.600   2.316  -2.333
   46   1HB   ASN   6          2HB       ASN   6   3.594   3.963  -0.684
   47   2HB   ASN   6          1HB       ASN   6   4.696   4.743  -1.796
   48   1HD2  ASN   6          2HD2      ASN   6   1.729   6.923  -1.661
   49   2HD2  ASN   6          1HD2      ASN   6   3.003   6.500  -0.630
   50    H    CYS   7           H        CYS   7   3.285   1.088  -0.964
   51    HA   CYS   7           HA       CYS   7   0.803   0.153  -2.185
   52   1HB   CYS   7          2HB       CYS   7   2.311  -1.430  -1.081
   53   2HB   CYS   7          1HB       CYS   7   2.145  -0.565   0.427
   54    H    CYS   8           H        CYS   8   1.650   2.417   0.231
   55    HA   CYS   8           HA       CYS   8  -0.702   2.443   1.846
   56   1HB   CYS   8          2HB       CYS   8   1.355   3.635   2.435
   57   2HB   CYS   8          1HB       CYS   8   1.222   4.652   1.037
   58    H    ALA   9           H        ALA   9   0.258   4.498  -0.816
   59    HA   ALA   9           HA       ALA   9  -2.533   5.349  -1.337
   60   1HB   ALA   9          1HB       ALA   9  -0.309   6.824  -1.398
   61   2HB   ALA   9          3HB       ALA   9  -0.185   6.209  -3.036
   62   3HB   ALA   9          2HB       ALA   9  -1.597   7.125  -2.549
   63    H    GLY  10           H        GLY  10  -1.874   2.617  -1.704
   64   1HA   GLY  10          2HA       GLY  10  -1.420   1.974  -4.483
   65   2HA   GLY  10          1HA       GLY  10  -1.953   0.857  -3.230
   66    H    THR  11           H        THR  11  -4.003   0.158  -3.356
   67    HA   THR  11           HA       THR  11  -6.188   1.789  -4.337
   68    HB   THR  11           HB       THR  11  -4.975   0.967  -6.503
   69    HG1  THR  11           HG1      THR  11  -7.017   0.687  -7.378
   70   1HG2  THR  11          3HG2      THR  11  -5.003  -1.570  -5.495
   71   2HG2  THR  11          2HG2      THR  11  -6.616  -1.557  -6.173
   72   3HG2  THR  11          1HG2      THR  11  -5.227  -1.274  -7.208
   73    H    LYS  12           H        LYS  12  -7.889   1.335  -3.267
   74    HA   LYS  12           HA       LYS  12  -8.155  -0.928  -1.513
   75   1HB   LYS  12          2HB       LYS  12  -9.930   1.350  -2.380
   76   2HB   LYS  12          1HB       LYS  12 -10.704  -0.016  -1.610
   77   1HG   LYS  12          2HG       LYS  12  -8.460   0.479   0.024
   78   2HG   LYS  12          1HG       LYS  12  -9.012   2.077  -0.421
   79   1HD   LYS  12          2HD       LYS  12 -11.373   1.287   0.301
   80   2HD   LYS  12          1HD       LYS  12 -10.582  -0.131   0.965
   81   1HE   LYS  12          2HE       LYS  12  -9.418   1.115   2.593
   82   2HE   LYS  12          1HE       LYS  12  -9.582   2.628   1.709
   83   1HZ   LYS  12          1HZ       LYS  12 -11.963   1.234   2.712
   84   2HZ   LYS  12          3HZ       LYS  12 -11.033   2.211   3.744
   85   3HZ   LYS  12          2HZ       LYS  12 -11.745   2.880   2.355
   86    H    GLY  13           H        GLY  13  -7.891  -2.711  -2.646
   87   1HA   GLY  13          2HA       GLY  13  -9.901  -4.324  -3.438
   88   2HA   GLY  13          1HA       GLY  13  -9.637  -3.407  -4.919
   89    H    CYS  14           H        CYS  14  -6.643  -3.283  -4.130
   90    HA   CYS  14           HA       CYS  14  -6.008  -6.124  -4.881
   91   1HB   CYS  14          2HB       CYS  14  -4.695  -3.639  -5.972
   92   2HB   CYS  14          1HB       CYS  14  -4.253  -5.281  -6.350
   93    H    LYS  15           H        LYS  15  -4.419  -7.091  -3.977
   94    HA   LYS  15           HA       LYS  15  -3.102  -5.929  -1.634
   95   1HB   LYS  15          2HB       LYS  15  -2.834  -8.703  -2.878
   96   2HB   LYS  15          1HB       LYS  15  -2.313  -8.259  -1.272
   97   1HG   LYS  15          2HG       LYS  15  -4.620  -7.855  -0.563
   98   2HG   LYS  15          1HG       LYS  15  -5.215  -8.091  -2.195
   99   1HD   LYS  15          2HD       LYS  15  -4.278 -10.452  -2.117
  100   2HD   LYS  15          1HD       LYS  15  -3.899 -10.186  -0.423
  101   1HE   LYS  15          2HE       LYS  15  -6.362  -9.638  -0.048
  102   2HE   LYS  15          1HE       LYS  15  -6.661 -10.127  -1.712
  103   1HZ   LYS  15          1HZ       LYS  15  -5.368 -12.240  -0.934
  104   2HZ   LYS  15          3HZ       LYS  15  -5.916 -11.749   0.597
  105   3HZ   LYS  15          2HZ       LYS  15  -7.032 -12.064  -0.645
  106    OH   TYR  16           OH       TYR  16  -1.805   0.438  -6.465
  107    H    TYR  16           H        TYR  16  -1.475  -4.534  -2.222
  108    HA   TYR  16           HA       TYR  16   0.171  -4.832  -4.549
  109   1HB   TYR  16          2HB       TYR  16   0.313  -3.211  -2.003
  110   2HB   TYR  16          1HB       TYR  16   1.731  -3.247  -3.038
  111    HD1  TYR  16           HD2      TYR  16  -1.994  -3.057  -3.616
  112    HD2  TYR  16           HD1      TYR  16   1.827  -1.381  -4.477
  113    HE1  TYR  16           HE2      TYR  16  -3.035  -1.430  -5.092
  114    HE2  TYR  16           HE1      TYR  16   0.774   0.251  -5.954
  115    HH   TYR  16           HH       TYR  16  -2.754   0.418  -6.314
  116    H    PHE  17           H        PHE  17   1.666  -6.237  -4.912
  117    HA   PHE  17           HA       PHE  17   3.219  -7.482  -2.727
  118   1HB   PHE  17          2HB       PHE  17   1.711  -9.174  -3.099
  119   2HB   PHE  17          1HB       PHE  17   1.314  -8.648  -4.713
  120    HD1  PHE  17           HD1      PHE  17   3.202  -9.011  -6.501
  121    HD2  PHE  17           HD2      PHE  17   2.908 -11.195  -2.856
  122    HE1  PHE  17           HE1      PHE  17   4.510 -10.821  -7.476
  123    HE2  PHE  17           HE2      PHE  17   4.213 -13.004  -3.829
  124    HZ   PHE  17           HZ       PHE  17   5.023 -12.817  -6.173
  125    H    SER  18           H        SER  18   5.165  -8.489  -3.381
  126    HA   SER  18           HA       SER  18   6.486  -7.057  -5.616
  127   1HB   SER  18          2HB       SER  18   7.560  -6.478  -3.572
  128   2HB   SER  18          1HB       SER  18   7.583  -8.161  -3.017
  129    HG   SER  18           HG       SER  18   9.161  -8.561  -4.259
  130    H    ASP  19           H        ASP  19   7.281  -8.069  -7.166
  131    HA   ASP  19           HA       ASP  19   6.776 -10.505  -8.200
  132   1HB   ASP  19          2HB       ASP  19   8.665 -10.159  -9.714
  133   2HB   ASP  19          1HB       ASP  19   7.867  -8.637  -9.418
  134    H    ASP  20           H        ASP  20   9.323 -10.071  -5.838
  135    HA   ASP  20           HA       ASP  20  10.881 -12.367  -6.437
  136   1HB   ASP  20          2HB       ASP  20  11.712 -12.238  -4.157
  137   2HB   ASP  20          1HB       ASP  20  11.425 -10.593  -4.696
  138    H    GLY  21           H        GLY  21   7.797 -12.098  -4.902
  139   1HA   GLY  21          2HA       GLY  21   6.324 -14.113  -5.120
  140   2HA   GLY  21          1HA       GLY  21   7.668 -15.058  -4.482
  141    H    THR  22           H        THR  22   6.772 -11.822  -3.382
  142    HA   THR  22           HA       THR  22   5.579 -12.954  -0.917
  143    HB   THR  22           HB       THR  22   8.005 -11.124  -1.007
  144    HG1  THR  22           HG1      THR  22   8.766 -13.052  -1.001
  145   1HG2  THR  22          1HG2      THR  22   6.209 -12.065   1.320
  146   2HG2  THR  22          3HG2      THR  22   7.878 -11.582   1.586
  147   3HG2  THR  22          2HG2      THR  22   6.714 -10.416   0.990
  148    H    PHE  23           H        PHE  23   4.092 -11.792  -0.010
  149    HA   PHE  23           HA       PHE  23   2.902  -9.563  -1.399
  150   1HB   PHE  23          2HB       PHE  23   1.463 -11.108  -0.368
  151   2HB   PHE  23          1HB       PHE  23   2.412 -11.182   1.087
  152    HD1  PHE  23           HD2      PHE  23   0.183  -8.887  -0.860
  153    HD2  PHE  23           HD1      PHE  23   1.843  -9.828   2.952
  154    HE1  PHE  23           HE2      PHE  23  -1.292  -7.236   0.203
  155    HE2  PHE  23           HE1      PHE  23   0.364  -8.180   4.002
  156    HZ   PHE  23           HZ       PHE  23  -1.203  -6.884   2.628
  157    H    VAL  24           H        VAL  24   2.995  -7.436  -0.901
  158    HA   VAL  24           HA       VAL  24   5.092  -6.552   0.996
  159    HB   VAL  24           HB       VAL  24   3.614  -5.095  -1.260
  160   1HG1  VAL  24          2HG1      VAL  24   5.974  -4.259   0.446
  161   2HG1  VAL  24          1HG1      VAL  24   5.509  -3.466  -1.052
  162   3HG1  VAL  24          3HG1      VAL  24   4.410  -3.453   0.317
  163   1HG2  VAL  24          3HG2      VAL  24   5.251  -7.053  -1.836
  164   2HG2  VAL  24          2HG2      VAL  24   5.533  -5.510  -2.617
  165   3HG2  VAL  24          1HG2      VAL  24   6.518  -5.998  -1.246
  166    H    CYS  25           H        CYS  25   1.840  -5.578   0.035
  167    HA   CYS  25           HA       CYS  25   0.739  -5.427   2.664
  168   1HB   CYS  25          2HB       CYS  25   1.281  -3.498   3.405
  169   2HB   CYS  25          1HB       CYS  25   2.320  -3.198   2.039
  170    H    GLU  26           H        GLU  26  -1.313  -4.058   2.579
  171    HA   GLU  26           HA       GLU  26  -2.706  -4.678   0.013
  172   1HB   GLU  26          2HB       GLU  26  -3.507  -4.584   2.879
  173   2HB   GLU  26          1HB       GLU  26  -4.719  -4.003   1.760
  174   1HG   GLU  26          2HG       GLU  26  -5.067  -6.066   0.806
  175   2HG   GLU  26          1HG       GLU  26  -3.383  -6.541   0.915
  176    H    GLY  27           H        GLY  27  -3.449  -3.248  -1.297
  177   1HA   GLY  27          2HA       GLY  27  -2.845  -0.454  -1.098
  178   2HA   GLY  27          1HA       GLY  27  -3.897  -1.212  -2.302
  179    H    GLU  28           H        GLU  28  -3.822   0.839   0.327
  180    HA   GLU  28           HA       GLU  28  -6.673   0.417   1.060
  181   1HB   GLU  28          2HB       GLU  28  -4.678   0.519   2.730
  182   2HB   GLU  28          1HB       GLU  28  -4.736   2.246   2.485
  183   1HG   GLU  28          2HG       GLU  28  -7.374   0.911   3.073
  184   2HG   GLU  28          1HG       GLU  28  -6.210   0.874   4.375
  185    H    SER  29           H        SER  29  -5.200   2.135  -1.229
  186    HA   SER  29           HA       SER  29  -6.352   4.767  -0.704
  187   1HB   SER  29          2HB       SER  29  -4.204   4.159  -2.085
  188   2HB   SER  29          1HB       SER  29  -5.334   3.950  -3.432
  189    HG   SER  29           HG       SER  29  -4.642   6.214  -2.022
  190    H    ASP  30           H        ASP  30  -8.514   4.746  -0.622
  191    HA   ASP  30           HA       ASP  30 -10.089   3.417  -2.725
  192   1HB   ASP  30          2HB       ASP  30 -10.726   3.492  -0.192
  193   2HB   ASP  30          1HB       ASP  30 -11.198   5.149  -0.493
  194    HA   PRO  31           HA       PRO  31 -10.095   7.116  -5.223
  195   1HB   PRO  31          2HB       PRO  31 -12.780   6.530  -6.228
  196   2HB   PRO  31          1HB       PRO  31 -11.244   6.480  -7.078
  197   1HG   PRO  31          2HG       PRO  31 -12.788   4.238  -6.161
  198   2HG   PRO  31          1HG       PRO  31 -11.205   4.189  -6.921
  199   1HD   PRO  31          2HD       PRO  31 -11.854   3.662  -4.149
  200   2HD   PRO  31          1HD       PRO  31 -10.257   3.600  -4.913
  201    NH1  ARG  32           NH2      ARG  32 -16.534   4.548  -2.359
  202    NH2  ARG  32           NH1      ARG  32 -18.789   4.814  -2.555
  203    H    ARG  32           H        ARG  32 -12.634   6.305  -3.048
  204    HA   ARG  32           HA       ARG  32 -13.843   8.961  -3.017
  205   1HB   ARG  32          2HB       ARG  32 -14.990   6.667  -2.743
  206   2HB   ARG  32          1HB       ARG  32 -14.394   6.686  -1.095
  207   1HG   ARG  32          2HG       ARG  32 -15.595   8.770  -0.620
  208   2HG   ARG  32          1HG       ARG  32 -16.084   8.922  -2.300
  209   1HD   ARG  32          2HD       ARG  32 -16.873   6.631  -0.445
  210   2HD   ARG  32          1HD       ARG  32 -17.929   7.955  -0.930
  211    HE   ARG  32           HE       ARG  32 -17.576   7.107  -3.319
  212   1HH1  ARG  32          1HH2      ARG  32 -15.615   4.938  -2.292
  213   2HH1  ARG  32          2HH2      ARG  32 -16.646   3.555  -2.345
  214   1HH2  ARG  32          2HH1      ARG  32 -19.576   5.425  -2.639
  215   2HH2  ARG  32          1HH1      ARG  32 -18.920   3.824  -2.542
  216    H    ASN  33           H        ASN  33 -11.707   7.028  -0.915
  217    HA   ASN  33           HA       ASN  33 -11.775   9.113   1.138
  218   1HB   ASN  33          2HB       ASN  33 -10.398   7.687   2.473
  219   2HB   ASN  33          1HB       ASN  33 -11.555   6.656   1.674
  220   1HD2  ASN  33          2HD2      ASN  33  -8.626   4.627   1.407
  221   2HD2  ASN  33          1HD2      ASN  33  -9.922   5.009   2.424
  222    HA   PRO  34           HA       PRO  34  -8.034  11.160  -0.380
  223   1HB   PRO  34          2HB       PRO  34  -7.626  12.794   1.837
  224   2HB   PRO  34          1HB       PRO  34  -8.727  13.162   0.518
  225   1HG   PRO  34          2HG       PRO  34  -9.370  12.226   3.271
  226   2HG   PRO  34          1HG       PRO  34 -10.372  13.136   2.149
  227   1HD   PRO  34          2HD       PRO  34 -10.567  10.320   2.687
  228   2HD   PRO  34          1HD       PRO  34 -11.397  11.217   1.402
  229    H    LYS  35           H        LYS  35  -7.146   8.912  -0.112
  230    HA   LYS  35           HA       LYS  35  -5.931   8.060   2.330
  231   1HB   LYS  35          2HB       LYS  35  -6.418   6.493   0.518
  232   2HB   LYS  35          1HB       LYS  35  -5.369   7.358  -0.581
  233   1HG   LYS  35          2HG       LYS  35  -4.212   5.368   0.196
  234   2HG   LYS  35          1HG       LYS  35  -3.402   6.746   0.887
  235   1HD   LYS  35          2HD       LYS  35  -5.628   5.626   2.562
  236   2HD   LYS  35          1HD       LYS  35  -4.285   4.532   2.301
  237   1HE   LYS  35          2HE       LYS  35  -2.753   6.514   3.019
  238   2HE   LYS  35          1HE       LYS  35  -4.222   7.260   3.631
  239   1HZ   LYS  35          3HZ       LYS  35  -4.403   4.789   4.607
  240   2HZ   LYS  35          2HZ       LYS  35  -2.722   5.028   4.641
  241   3HZ   LYS  35          1HZ       LYS  35  -3.754   6.111   5.449
  242    H    ALA  36           H        ALA  36  -4.697   9.563   3.267
  243    HA   ALA  36           HA       ALA  36  -2.676  11.122   1.853
  244   1HB   ALA  36          1HB       ALA  36  -3.264  10.820   4.827
  245   2HB   ALA  36          3HB       ALA  36  -2.191  12.023   4.123
  246   3HB   ALA  36          2HB       ALA  36  -3.909  12.066   3.771
  247    H    CYS  37           H        CYS  37  -0.664  10.565   1.508
  248    HA   CYS  37           HA       CYS  37   0.737   8.659   3.280
  249   1HB   CYS  37          2HB       CYS  37   0.612   8.269   0.285
  250   2HB   CYS  37          1HB       CYS  37   1.499   7.288   1.414
  251    HA   PRO  38           HA       PRO  38   4.359  10.951   1.681
  252   1HB   PRO  38          2HB       PRO  38   6.080   8.850   2.662
  253   2HB   PRO  38          1HB       PRO  38   5.898  10.475   3.303
  254   1HG   PRO  38          2HG       PRO  38   4.967   8.029   4.514
  255   2HG   PRO  38          1HG       PRO  38   4.733   9.666   5.104
  256   1HD   PRO  38          2HD       PRO  38   2.780   7.905   3.793
  257   2HD   PRO  38          1HD       PRO  38   2.488   9.461   4.596
  258    NH1  ARG  39           NH2      ARG  39   1.047  13.049  -4.385
  259    NH2  ARG  39           NH1      ARG  39   2.609  13.576  -5.965
  260    H    ARG  39           H        ARG  39   5.394  10.534  -0.241
  261    HA   ARG  39           HA       ARG  39   4.442   8.209  -1.783
  262   1HB   ARG  39          2HB       ARG  39   6.032  10.720  -2.469
  263   2HB   ARG  39          1HB       ARG  39   5.724   9.459  -3.652
  264   1HG   ARG  39          2HG       ARG  39   3.298   9.713  -3.371
  265   2HG   ARG  39          1HG       ARG  39   3.529  10.891  -2.093
  266   1HD   ARG  39          2HD       ARG  39   4.168  12.583  -3.565
  267   2HD   ARG  39          1HD       ARG  39   4.839  11.461  -4.748
  268    HE   ARG  39           HE       ARG  39   2.362  10.800  -5.145
  269   1HH1  ARG  39          1HH2      ARG  39   0.709  12.406  -3.698
  270   2HH1  ARG  39          2HH2      ARG  39   0.560  13.906  -4.554
  271   1HH2  ARG  39          2HH1      ARG  39   3.441  13.329  -6.461
  272   2HH2  ARG  39          1HH1      ARG  39   2.147  14.440  -6.160
  273    H    ASN  40           H        ASN  40   5.724   7.040  -0.028
  274    HA   ASN  40           HA       ASN  40   8.554   6.820  -0.087
  275   1HB   ASN  40          2HB       ASN  40   6.517   4.650   0.617
  276   2HB   ASN  40          1HB       ASN  40   8.192   4.713   1.156
  277   1HD2  ASN  40          2HD2      ASN  40   5.369   6.778   3.157
  278   2HD2  ASN  40          1HD2      ASN  40   4.987   5.735   1.875
  279    H    CYS  41           H        CYS  41   9.611   6.453  -1.899
  280    HA   CYS  41           HA       CYS  41   8.696   5.162  -4.215
  281   1HB   CYS  41          2HB       CYS  41  11.512   5.532  -3.136
  282   2HB   CYS  41          1HB       CYS  41  11.175   4.992  -4.766
  283    H    ASP  42           H        ASP  42   8.138   3.145  -4.531
  284    HA   ASP  42           HA       ASP  42   9.626   0.962  -3.154
  285   1HB   ASP  42          2HB       ASP  42   7.222   1.591  -2.229
  286   2HB   ASP  42          1HB       ASP  42   6.627   0.810  -3.673
  287    HA   PRO  43           HA       PRO  43   9.666  -0.077  -7.648
  288   1HB   PRO  43          2HB       PRO  43  12.436  -0.881  -7.108
  289   2HB   PRO  43          1HB       PRO  43  11.845   0.277  -8.289
  290   1HG   PRO  43          2HG       PRO  43  13.231   0.911  -5.901
  291   2HG   PRO  43          1HG       PRO  43  12.357   2.054  -6.911
  292   1HD   PRO  43          2HD       PRO  43  11.581   0.948  -4.281
  293   2HD   PRO  43          1HD       PRO  43  10.911   2.352  -5.128
  294    NH1  ARG  44           NH1      ARG  44  10.841  -6.549  -2.847
  295    NH2  ARG  44           NH2      ARG  44  11.992  -6.046  -4.748
  296    H    ARG  44           H        ARG  44  10.403  -1.439  -4.592
  297    HA   ARG  44           HA       ARG  44  10.843  -4.117  -5.167
  298   1HB   ARG  44          2HB       ARG  44   9.476  -2.701  -2.839
  299   2HB   ARG  44          1HB       ARG  44   9.833  -4.400  -2.778
  300   1HG   ARG  44          2HG       ARG  44  12.225  -2.913  -3.642
  301   2HG   ARG  44          1HG       ARG  44  11.561  -2.146  -2.220
  302   1HD   ARG  44          2HD       ARG  44  13.079  -3.770  -1.356
  303   2HD   ARG  44          1HD       ARG  44  11.514  -4.546  -1.167
  304    HE   ARG  44           HE       ARG  44  13.654  -5.530  -2.776
  305   1HH1  ARG  44          2HH1      ARG  44  10.751  -6.487  -1.854
  306   2HH1  ARG  44          1HH1      ARG  44  10.171  -7.047  -3.388
  307   1HH2  ARG  44          1HH2      ARG  44  12.770  -5.597  -5.191
  308   2HH2  ARG  44          2HH2      ARG  44  11.323  -6.552  -5.291
  309    H    ILE  45           H        ILE  45   7.855  -2.310  -4.941
  310    HA   ILE  45           HA       ILE  45   6.079  -4.572  -5.127
  311    HB   ILE  45           HB       ILE  45   5.858  -1.567  -5.362
  312   1HG1  ILE  45          2HG1      ILE  45   3.864  -3.449  -4.090
  313   2HG1  ILE  45          1HG1      ILE  45   5.440  -3.295  -3.357
  314   1HG2  ILE  45          2HG2      ILE  45   3.715  -3.409  -6.532
  315   2HG2  ILE  45          1HG2      ILE  45   3.434  -1.732  -6.094
  316   3HG2  ILE  45          3HG2      ILE  45   4.571  -2.121  -7.368
  317   1HD1  ILE  45          1HD1      ILE  45   4.370  -0.624  -3.948
  318   2HD1  ILE  45          3HD1      ILE  45   3.259  -1.550  -2.962
  319   3HD1  ILE  45          2HD1      ILE  45   4.895  -1.291  -2.411
  320    H    ALA  46           H        ALA  46   5.079  -5.406  -6.872
  321    HA   ALA  46           HA       ALA  46   6.177  -4.727  -9.573
  322   1HB   ALA  46          3HB       ALA  46   7.259  -6.736  -8.633
  323   2HB   ALA  46          2HB       ALA  46   5.691  -7.501  -8.447
  324   3HB   ALA  46          1HB       ALA  46   6.301  -7.136 -10.055
  325    OH   TYR  47           OH       TYR  47   6.314  -9.872 -11.938
  326    H    TYR  47           H        TYR  47   3.562  -6.293  -7.799
  327    HA   TYR  47           HA       TYR  47   1.621  -5.264  -9.768
  328   1HB   TYR  47          2HB       TYR  47   1.112  -8.158  -9.214
  329   2HB   TYR  47          1HB       TYR  47   0.912  -7.262 -10.698
  330    HD1  TYR  47           HD2      TYR  47   2.812  -7.023 -12.283
  331    HD2  TYR  47           HD1      TYR  47   3.192  -9.314  -8.716
  332    HE1  TYR  47           HE2      TYR  47   4.843  -8.066 -13.168
  333    HE2  TYR  47           HE1      TYR  47   5.221 -10.358  -9.604
  334    HH   TYR  47           HH       TYR  47   6.282  -9.830 -12.896
  335    H    GLY  48           H        GLY  48  -0.615  -6.074  -9.151
  336   1HA   GLY  48          2HA       GLY  48  -0.945  -5.970  -6.172
  337   2HA   GLY  48          1HA       GLY  48  -2.007  -5.119  -7.291
  338    H    ILE  49           H        ILE  49  -1.471  -7.995  -5.628
  339    HA   ILE  49           HA       ILE  49  -2.937  -9.788  -7.413
  340    HB   ILE  49           HB       ILE  49  -2.124 -10.122  -4.470
  341   1HG1  ILE  49          2HG1      ILE  49  -0.751 -11.317  -6.929
  342   2HG1  ILE  49          1HG1      ILE  49  -0.202  -9.833  -6.179
  343   1HG2  ILE  49          2HG2      ILE  49  -4.017 -11.633  -5.250
  344   2HG2  ILE  49          1HG2      ILE  49  -2.959 -12.246  -6.509
  345   3HG2  ILE  49          3HG2      ILE  49  -2.579 -12.526  -4.818
  346   1HD1  ILE  49          2HD1      ILE  49  -0.422 -12.507  -4.742
  347   2HD1  ILE  49          1HD1      ILE  49   1.055 -11.792  -5.343
  348   3HD1  ILE  49          3HD1      ILE  49   0.173 -11.009  -4.043
  349    H    CYS  50           H        CYS  50  -4.870  -8.861  -7.753
  350    HA   CYS  50           HA       CYS  50  -6.618  -8.060  -5.516
  351   1HB   CYS  50          2HB       CYS  50  -7.594  -8.145  -8.349
  352   2HB   CYS  50          1HB       CYS  50  -7.895  -6.953  -7.117
  353    HA   PRO  51           HA       PRO  51  -8.631 -11.986  -5.372
  354   1HB   PRO  51          2HB       PRO  51 -11.304 -11.114  -4.863
  355   2HB   PRO  51          1HB       PRO  51 -10.086 -11.519  -3.666
  356   1HG   PRO  51          2HG       PRO  51 -11.081  -8.871  -4.431
  357   2HG   PRO  51          1HG       PRO  51 -10.064  -9.302  -3.063
  358   1HD   PRO  51          2HD       PRO  51  -9.246  -7.980  -5.489
  359   2HD   PRO  51          1HD       PRO  51  -8.201  -8.508  -4.154
  360    H    LEU  52           H        LEU  52 -10.945  -9.750  -6.769
  361    HA   LEU  52           HA       LEU  52 -10.806 -10.880  -9.449
  362   1HB   LEU  52          2HB       LEU  52 -13.265 -11.567  -9.447
  363   2HB   LEU  52          1HB       LEU  52 -12.224 -12.600  -8.507
  364    HG   LEU  52           HG       LEU  52 -13.223 -10.434  -6.789
  365   1HD1  LEU  52          2HD1      LEU  52 -15.345 -12.106  -8.199
  366   2HD1  LEU  52          1HD1      LEU  52 -15.625 -11.074  -6.807
  367   3HD1  LEU  52          3HD1      LEU  52 -15.149 -10.367  -8.339
  368   1HD2  LEU  52          2HD2      LEU  52 -12.335 -12.715  -6.096
  369   2HD2  LEU  52          1HD2      LEU  52 -13.876 -12.300  -5.368
  370   3HD2  LEU  52          3HD2      LEU  52 -13.813 -13.424  -6.718
  371    H    ALA  53           H        ALA  53 -10.592  -8.363  -7.943
  372    HA   ALA  53           HA       ALA  53 -12.773  -6.618  -8.366
  373   1HB   ALA  53          2HB       ALA  53 -10.798  -6.080  -6.955
  374   2HB   ALA  53          1HB       ALA  53  -9.798  -5.964  -8.394
  375   3HB   ALA  53          3HB       ALA  53 -11.097  -4.810  -8.131
   
  Start of MODEL           8
 Raw file had  375 H/Q atoms
  Start of MODEL    8
    1   1H    ASP   1          1H        ASP   1  13.646   4.611 -16.064
    2   2H    ASP   1          3H        ASP   1  12.493   3.874 -17.071
    3   3H    ASP   1          2H        ASP   1  12.308   5.499 -16.614
    4    HA   ASP   1           HA       ASP   1  10.812   4.135 -15.362
    5   1HB   ASP   1          2HB       ASP   1  12.535   2.122 -15.517
    6   2HB   ASP   1          1HB       ASP   1  13.206   2.793 -14.044
    7    NH1  ARG   2           NH2      ARG   2   8.606   9.432 -17.006
    8    NH2  ARG   2           NH1      ARG   2   8.458  11.434 -15.917
    9    H    ARG   2           H        ARG   2  10.224   4.866 -13.372
   10    HA   ARG   2           HA       ARG   2  12.060   6.160 -11.515
   11   1HB   ARG   2          2HB       ARG   2  10.956   8.436 -11.740
   12   2HB   ARG   2          1HB       ARG   2  11.877   7.978 -13.156
   13   1HG   ARG   2          2HG       ARG   2   9.809   7.275 -14.325
   14   2HG   ARG   2          1HG       ARG   2   8.852   7.631 -12.898
   15   1HD   ARG   2          2HD       ARG   2   9.496  10.022 -13.042
   16   2HD   ARG   2          1HD       ARG   2  10.497   9.675 -14.451
   17    HE   ARG   2           HE       ARG   2   7.559   9.110 -14.484
   18   1HH1  ARG   2          1HH2      ARG   2   8.629   8.434 -16.962
   19   2HH1  ARG   2          2HH2      ARG   2   8.669   9.896 -17.889
   20   1HH2  ARG   2          2HH1      ARG   2   8.371  11.936 -15.057
   21   2HH2  ARG   2          1HH1      ARG   2   8.518  11.930 -16.783
   22    H    ILE   3           H        ILE   3  10.145   4.045 -11.512
   23    HA   ILE   3           HA       ILE   3   7.649   4.655 -10.398
   24    HB   ILE   3           HB       ILE   3   8.480   2.414 -11.276
   25   1HG1  ILE   3          2HG1      ILE   3   7.316   1.065  -9.309
   26   2HG1  ILE   3          1HG1      ILE   3   6.973   2.649  -8.648
   27   1HG2  ILE   3          3HG2      ILE   3  10.633   2.404  -9.951
   28   2HG2  ILE   3          2HG2      ILE   3   9.686   2.094  -8.511
   29   3HG2  ILE   3          1HG2      ILE   3   9.715   0.914  -9.807
   30   1HD1  ILE   3          1HD1      ILE   3   6.236   1.761 -11.472
   31   2HD1  ILE   3          3HD1      ILE   3   5.128   1.781 -10.113
   32   3HD1  ILE   3          2HD1      ILE   3   5.792   3.288 -10.723
   33    H    CYS   4           H        CYS   4   6.918   5.212  -8.462
   34    HA   CYS   4           HA       CYS   4   8.540   4.932  -6.053
   35   1HB   CYS   4          2HB       CYS   4   7.905   7.455  -7.498
   36   2HB   CYS   4          1HB       CYS   4   7.707   7.504  -5.775
   37    H    THR   5           H        THR   5   6.502   3.450  -6.656
   38    HA   THR   5           HA       THR   5   3.931   4.409  -5.719
   39    HB   THR   5           HB       THR   5   3.513   1.761  -5.616
   40    HG1  THR   5           HG1      THR   5   5.996   2.017  -6.974
   41   1HG2  THR   5          3HG2      THR   5   4.418   3.171  -8.183
   42   2HG2  THR   5          2HG2      THR   5   3.566   1.632  -8.144
   43   3HG2  THR   5          1HG2      THR   5   2.769   3.094  -7.582
   44    H    ASN   6           H        ASN   6   2.837   3.336  -3.877
   45    HA   ASN   6           HA       ASN   6   4.465   2.356  -1.671
   46   1HB   ASN   6          2HB       ASN   6   3.767   4.380  -0.161
   47   2HB   ASN   6          1HB       ASN   6   5.026   4.670  -1.337
   48   1HD2  ASN   6          2HD2      ASN   6   3.235   7.204  -2.897
   49   2HD2  ASN   6          1HD2      ASN   6   4.720   6.435  -2.579
   50    H    CYS   7           H        CYS   7   3.230   1.925   0.246
   51    HA   CYS   7           HA       CYS   7   0.766   0.642  -0.383
   52   1HB   CYS   7          2HB       CYS   7   2.354  -0.123   1.354
   53   2HB   CYS   7          1HB       CYS   7   2.054   1.312   2.289
   54    H    CYS   8           H        CYS   8   1.435   3.808   0.750
   55    HA   CYS   8           HA       CYS   8  -1.003   4.478   2.053
   56   1HB   CYS   8          2HB       CYS   8   0.748   6.054   2.141
   57   2HB   CYS   8          1HB       CYS   8   1.064   5.964   0.450
   58    H    ALA   9           H        ALA   9   0.058   5.070  -1.224
   59    HA   ALA   9           HA       ALA   9  -2.636   5.440  -2.283
   60   1HB   ALA   9          2HB       ALA   9   0.110   5.267  -3.629
   61   2HB   ALA   9          1HB       ALA   9  -1.378   5.712  -4.457
   62   3HB   ALA   9          3HB       ALA   9  -0.733   6.745  -3.195
   63    H    GLY  10           H        GLY  10  -0.588   3.536  -4.324
   64   1HA   GLY  10          2HA       GLY  10  -0.521   1.309  -4.875
   65   2HA   GLY  10          1HA       GLY  10  -1.401   0.973  -3.420
   66    H    THR  11           H        THR  11  -3.543   0.337  -3.684
   67    HA   THR  11           HA       THR  11  -5.406   1.151  -5.648
   68    HB   THR  11           HB       THR  11  -5.406  -1.387  -6.758
   69    HG1  THR  11           HG1      THR  11  -3.496  -1.783  -5.478
   70   1HG2  THR  11          3HG2      THR  11  -4.789   1.130  -7.825
   71   2HG2  THR  11          2HG2      THR  11  -3.317   0.216  -8.120
   72   3HG2  THR  11          1HG2      THR  11  -4.850  -0.368  -8.730
   73    H    LYS  12           H        LYS  12  -6.887   1.132  -4.003
   74    HA   LYS  12           HA       LYS  12  -7.264  -0.877  -2.085
   75   1HB   LYS  12          2HB       LYS  12  -8.451   1.252  -1.921
   76   2HB   LYS  12          1HB       LYS  12  -9.380   0.891  -3.370
   77   1HG   LYS  12          2HG       LYS  12 -10.576  -0.882  -2.272
   78   2HG   LYS  12          1HG       LYS  12  -9.434  -0.958  -0.948
   79   1HD   LYS  12          2HD       LYS  12 -10.735   1.689  -1.332
   80   2HD   LYS  12          1HD       LYS  12 -11.845   0.408  -0.904
   81   1HE   LYS  12          2HE       LYS  12 -10.993   0.193   1.228
   82   2HE   LYS  12          1HE       LYS  12  -9.337   0.497   0.720
   83   1HZ   LYS  12          2HZ       LYS  12 -11.227   2.714   0.572
   84   2HZ   LYS  12          1HZ       LYS  12 -10.665   2.238   2.104
   85   3HZ   LYS  12          3HZ       LYS  12  -9.557   2.689   0.899
   86    H    GLY  13           H        GLY  13  -8.122  -2.803  -2.064
   87   1HA   GLY  13          2HA       GLY  13  -9.730  -4.479  -2.793
   88   2HA   GLY  13          1HA       GLY  13  -9.638  -3.829  -4.429
   89    H    CYS  14           H        CYS  14  -6.613  -3.581  -4.211
   90    HA   CYS  14           HA       CYS  14  -6.036  -6.468  -4.676
   91   1HB   CYS  14          2HB       CYS  14  -4.563  -4.011  -5.631
   92   2HB   CYS  14          1HB       CYS  14  -4.120  -5.658  -5.964
   93    H    LYS  15           H        LYS  15  -4.360  -7.466  -3.750
   94    HA   LYS  15           HA       LYS  15  -3.225  -6.195  -1.331
   95   1HB   LYS  15          2HB       LYS  15  -3.213  -9.020  -2.481
   96   2HB   LYS  15          1HB       LYS  15  -2.170  -8.590  -1.146
   97   1HG   LYS  15          2HG       LYS  15  -3.935  -9.113   0.211
   98   2HG   LYS  15          1HG       LYS  15  -4.601  -7.570  -0.263
   99   1HD   LYS  15          2HD       LYS  15  -6.372  -8.987  -0.801
  100   2HD   LYS  15          1HD       LYS  15  -5.551  -8.874  -2.339
  101   1HE   LYS  15          2HE       LYS  15  -4.245 -11.026  -1.034
  102   2HE   LYS  15          1HE       LYS  15  -5.934 -11.219  -0.597
  103   1HZ   LYS  15          2HZ       LYS  15  -5.239 -10.648  -3.377
  104   2HZ   LYS  15          1HZ       LYS  15  -5.006 -12.217  -2.776
  105   3HZ   LYS  15          3HZ       LYS  15  -6.554 -11.519  -2.752
  106    OH   TYR  16           OH       TYR  16  -3.443   0.134  -1.825
  107    H    TYR  16           H        TYR  16  -1.610  -4.839  -1.855
  108    HA   TYR  16           HA       TYR  16   0.001  -4.923  -4.184
  109   1HB   TYR  16          2HB       TYR  16   0.981  -3.957  -1.504
  110   2HB   TYR  16          1HB       TYR  16   1.442  -3.328  -3.086
  111    HD1  TYR  16           HD2      TYR  16  -1.762  -3.485  -3.920
  112    HD2  TYR  16           HD1      TYR  16   0.554  -1.688  -0.842
  113    HE1  TYR  16           HE2      TYR  16  -3.481  -1.831  -3.598
  114    HE2  TYR  16           HE1      TYR  16  -1.197  -0.021  -0.509
  115    HH   TYR  16           HH       TYR  16  -3.088   1.014  -1.918
  116    H    PHE  17           H        PHE  17   1.639  -6.110  -4.749
  117    HA   PHE  17           HA       PHE  17   3.199  -7.625  -2.753
  118   1HB   PHE  17          2HB       PHE  17   1.582  -9.189  -3.068
  119   2HB   PHE  17          1HB       PHE  17   1.186  -8.683  -4.691
  120    HD1  PHE  17           HD1      PHE  17   3.065  -9.187  -6.502
  121    HD2  PHE  17           HD2      PHE  17   2.668 -11.214  -2.773
  122    HE1  PHE  17           HE1      PHE  17   4.280 -11.099  -7.399
  123    HE2  PHE  17           HE2      PHE  17   3.880 -13.124  -3.668
  124    HZ   PHE  17           HZ       PHE  17   4.689 -13.069  -6.018
  125    H    SER  18           H        SER  18   5.041  -8.610  -3.537
  126    HA   SER  18           HA       SER  18   6.325  -7.193  -5.796
  127   1HB   SER  18          2HB       SER  18   7.508  -6.692  -3.787
  128   2HB   SER  18          1HB       SER  18   7.455  -8.371  -3.233
  129    HG   SER  18           HG       SER  18   8.907  -7.181  -5.288
  130    H    ASP  19           H        ASP  19   6.951  -8.260  -7.424
  131    HA   ASP  19           HA       ASP  19   6.297 -10.755  -8.323
  132   1HB   ASP  19          2HB       ASP  19   8.142 -10.507  -9.984
  133   2HB   ASP  19          1HB       ASP  19   7.222  -9.031  -9.802
  134    H    ASP  20           H        ASP  20   8.953 -10.119  -6.179
  135    HA   ASP  20           HA       ASP  20  10.627 -12.323  -6.670
  136   1HB   ASP  20          2HB       ASP  20  11.543 -11.900  -4.500
  137   2HB   ASP  20          1HB       ASP  20  10.918 -10.341  -5.009
  138    H    GLY  21           H        GLY  21   7.578 -12.168  -5.070
  139   1HA   GLY  21          2HA       GLY  21   6.181 -14.237  -5.131
  140   2HA   GLY  21          1HA       GLY  21   7.592 -15.111  -4.538
  141    H    THR  22           H        THR  22   6.685 -11.871  -3.483
  142    HA   THR  22           HA       THR  22   5.637 -12.946  -0.928
  143    HB   THR  22           HB       THR  22   8.033 -11.092  -1.193
  144    HG1  THR  22           HG1      THR  22   8.863 -12.997  -1.140
  145   1HG2  THR  22          1HG2      THR  22   6.389 -12.006   1.247
  146   2HG2  THR  22          3HG2      THR  22   8.060 -11.485   1.407
  147   3HG2  THR  22          2HG2      THR  22   6.844 -10.356   0.845
  148    H    PHE  23           H        PHE  23   4.285 -11.690   0.127
  149    HA   PHE  23           HA       PHE  23   2.895  -9.597  -1.293
  150   1HB   PHE  23          2HB       PHE  23   1.624 -11.102  -0.020
  151   2HB   PHE  23          1HB       PHE  23   2.723 -11.059   1.322
  152    HD1  PHE  23           HD2      PHE  23   2.716  -9.026   2.864
  153    HD2  PHE  23           HD1      PHE  23  -0.223  -9.575  -0.175
  154    HE1  PHE  23           HE2      PHE  23   1.260  -7.392   3.973
  155    HE2  PHE  23           HE1      PHE  23  -1.671  -7.948   0.936
  156    HZ   PHE  23           HZ       PHE  23  -0.939  -6.849   3.012
  157    H    VAL  24           H        VAL  24   2.718  -7.426  -0.710
  158    HA   VAL  24           HA       VAL  24   4.985  -6.300   0.865
  159    HB   VAL  24           HB       VAL  24   3.407  -5.183  -1.509
  160   1HG1  VAL  24          1HG1      VAL  24   5.689  -3.952   0.082
  161   2HG1  VAL  24          3HG1      VAL  24   5.185  -3.389  -1.504
  162   3HG1  VAL  24          2HG1      VAL  24   4.074  -3.286  -0.150
  163   1HG2  VAL  24          2HG2      VAL  24   5.155  -7.042  -1.927
  164   2HG2  VAL  24          1HG2      VAL  24   5.427  -5.539  -2.788
  165   3HG2  VAL  24          3HG2      VAL  24   6.363  -5.912  -1.350
  166    H    CYS  25           H        CYS  25   1.605  -5.640   0.013
  167    HA   CYS  25           HA       CYS  25   0.797  -5.090   2.724
  168   1HB   CYS  25          2HB       CYS  25   1.211  -3.000   2.962
  169   2HB   CYS  25          1HB       CYS  25   2.038  -2.946   1.437
  170    H    GLU  26           H        GLU  26  -1.435  -3.632   2.443
  171    HA   GLU  26           HA       GLU  26  -3.006  -5.122   0.393
  172   1HB   GLU  26          2HB       GLU  26  -3.466  -4.401   3.216
  173   2HB   GLU  26          1HB       GLU  26  -4.879  -4.393   2.201
  174   1HG   GLU  26          2HG       GLU  26  -4.821  -6.681   1.791
  175   2HG   GLU  26          1HG       GLU  26  -3.078  -6.786   1.953
  176    H    GLY  27           H        GLY  27  -4.849  -4.359  -0.452
  177   1HA   GLY  27          2HA       GLY  27  -4.784  -1.840  -1.726
  178   2HA   GLY  27          1HA       GLY  27  -6.182  -2.886  -1.631
  179    H    GLU  28           H        GLU  28  -4.879  -0.006  -0.691
  180    HA   GLU  28           HA       GLU  28  -6.943   0.525   1.355
  181   1HB   GLU  28          2HB       GLU  28  -4.098   1.538   1.137
  182   2HB   GLU  28          1HB       GLU  28  -5.257   2.249   2.241
  183   1HG   GLU  28          2HG       GLU  28  -5.198   0.477   3.704
  184   2HG   GLU  28          1HG       GLU  28  -5.051  -0.723   2.439
  185    H    SER  29           H        SER  29  -5.176   2.031  -1.348
  186    HA   SER  29           HA       SER  29  -6.577   4.532  -1.159
  187   1HB   SER  29          2HB       SER  29  -5.533   4.932  -3.399
  188   2HB   SER  29          1HB       SER  29  -4.395   4.381  -2.177
  189    HG   SER  29           HG       SER  29  -4.579   2.283  -3.022
  190    H    ASP  30           H        ASP  30  -8.765   4.536  -1.341
  191    HA   ASP  30           HA       ASP  30 -10.146   2.950  -3.362
  192   1HB   ASP  30          2HB       ASP  30 -11.112   3.712  -1.047
  193   2HB   ASP  30          1HB       ASP  30 -11.345   5.270  -1.809
  194    HA   PRO  31           HA       PRO  31  -9.435   5.894  -6.650
  195   1HB   PRO  31          2HB       PRO  31 -12.050   5.318  -7.835
  196   2HB   PRO  31          1HB       PRO  31 -10.446   4.933  -8.441
  197   1HG   PRO  31          2HG       PRO  31 -12.324   3.127  -7.219
  198   2HG   PRO  31          1HG       PRO  31 -10.697   2.754  -7.767
  199   1HD   PRO  31          2HD       PRO  31 -11.623   2.930  -5.046
  200   2HD   PRO  31          1HD       PRO  31  -9.969   2.620  -5.592
  201    NH1  ARG  32           NH2      ARG  32 -18.667   8.478  -6.033
  202    NH2  ARG  32           NH1      ARG  32 -19.700   6.443  -6.116
  203    H    ARG  32           H        ARG  32 -12.383   5.930  -4.787
  204    HA   ARG  32           HA       ARG  32 -13.123   8.638  -5.602
  205   1HB   ARG  32          2HB       ARG  32 -14.265   6.743  -3.514
  206   2HB   ARG  32          1HB       ARG  32 -14.940   8.316  -3.891
  207   1HG   ARG  32          2HG       ARG  32 -15.196   7.610  -6.288
  208   2HG   ARG  32          1HG       ARG  32 -14.616   6.010  -5.859
  209   1HD   ARG  32          2HD       ARG  32 -16.571   5.454  -4.709
  210   2HD   ARG  32          1HD       ARG  32 -16.924   7.121  -4.266
  211    HE   ARG  32           HE       ARG  32 -17.180   6.223  -7.104
  212   1HH1  ARG  32          1HH2      ARG  32 -17.820   9.010  -6.046
  213   2HH1  ARG  32          2HH2      ARG  32 -19.549   8.942  -5.947
  214   1HH2  ARG  32          2HH1      ARG  32 -19.628   5.449  -6.191
  215   2HH2  ARG  32          1HH1      ARG  32 -20.598   6.875  -6.031
  216    H    ASN  33           H        ASN  33 -11.562   7.112  -2.790
  217    HA   ASN  33           HA       ASN  33 -11.652   9.597  -1.288
  218   1HB   ASN  33          2HB       ASN  33 -10.558   8.402   0.483
  219   2HB   ASN  33          1HB       ASN  33 -11.742   7.338  -0.224
  220   1HD2  ASN  33          2HD2      ASN  33  -9.189   4.930   0.154
  221   2HD2  ASN  33          1HD2      ASN  33 -10.598   5.588   0.820
  222    HA   PRO  34           HA       PRO  34  -7.721  11.117  -2.838
  223   1HB   PRO  34          2HB       PRO  34  -7.437  13.297  -1.163
  224   2HB   PRO  34          1HB       PRO  34  -8.581  13.246  -2.496
  225   1HG   PRO  34          2HG       PRO  34  -9.114  12.920   0.443
  226   2HG   PRO  34          1HG       PRO  34 -10.150  13.611  -0.800
  227   1HD   PRO  34          2HD       PRO  34 -10.363  10.945   0.240
  228   2HD   PRO  34          1HD       PRO  34 -11.155  11.587  -1.208
  229    H    LYS  35           H        LYS  35  -7.401   8.864  -1.331
  230    HA   LYS  35           HA       LYS  35  -5.409   9.495   0.788
  231   1HB   LYS  35          2HB       LYS  35  -6.542   6.795  -0.053
  232   2HB   LYS  35          1HB       LYS  35  -5.577   7.112   1.374
  233   1HG   LYS  35          2HG       LYS  35  -8.295   8.383   0.826
  234   2HG   LYS  35          1HG       LYS  35  -8.056   6.973   1.828
  235   1HD   LYS  35          2HD       LYS  35  -7.746   8.346   3.591
  236   2HD   LYS  35          1HD       LYS  35  -6.228   8.859   2.888
  237   1HE   LYS  35          2HE       LYS  35  -7.161  10.829   1.990
  238   2HE   LYS  35          1HE       LYS  35  -8.789  10.170   1.926
  239   1HZ   LYS  35          2HZ       LYS  35  -7.472  10.538   4.519
  240   2HZ   LYS  35          1HZ       LYS  35  -8.174  11.865   3.723
  241   3HZ   LYS  35          3HZ       LYS  35  -9.126  10.521   4.136
  242    H    ALA  36           H        ALA  36  -3.669  10.160  -0.308
  243    HA   ALA  36           HA       ALA  36  -1.974   8.118  -1.552
  244   1HB   ALA  36          2HB       ALA  36  -2.875  10.586  -3.104
  245   2HB   ALA  36          1HB       ALA  36  -1.584   9.510  -3.617
  246   3HB   ALA  36          3HB       ALA  36  -3.233   8.917  -3.517
  247    H    CYS  37           H        CYS  37   0.138   8.554  -1.271
  248    HA   CYS  37           HA       CYS  37   0.980  11.225  -0.227
  249   1HB   CYS  37          2HB       CYS  37   2.248   8.757   0.915
  250   2HB   CYS  37          1HB       CYS  37   2.030  10.330   1.619
  251    HA   PRO  38           HA       PRO  38   3.928   9.981  -3.531
  252   1HB   PRO  38          2HB       PRO  38   4.313  12.659  -4.371
  253   2HB   PRO  38          1HB       PRO  38   3.241  11.482  -5.114
  254   1HG   PRO  38          2HG       PRO  38   2.531  13.813  -3.461
  255   2HG   PRO  38          1HG       PRO  38   1.490  12.834  -4.486
  256   1HD   PRO  38          2HD       PRO  38   1.688  12.754  -1.603
  257   2HD   PRO  38          1HD       PRO  38   0.674  11.727  -2.633
  258    NH1  ARG  39           NH2      ARG  39   6.090   9.976   3.984
  259    NH2  ARG  39           NH1      ARG  39   4.548  11.087   5.248
  260    H    ARG  39           H        ARG  39   5.100   9.448  -1.596
  261    HA   ARG  39           HA       ARG  39   7.338  11.316  -1.059
  262   1HB   ARG  39          2HB       ARG  39   5.760   9.944   1.166
  263   2HB   ARG  39          1HB       ARG  39   7.167  10.967   1.387
  264   1HG   ARG  39          2HG       ARG  39   5.834  12.872   0.337
  265   2HG   ARG  39          1HG       ARG  39   4.428  11.821   0.359
  266   1HD   ARG  39          2HD       ARG  39   6.032  12.688   2.804
  267   2HD   ARG  39          1HD       ARG  39   4.417  13.238   2.369
  268    HE   ARG  39           HE       ARG  39   3.691  10.817   2.646
  269   1HH1  ARG  39          1HH2      ARG  39   6.452   9.745   3.080
  270   2HH1  ARG  39          2HH2      ARG  39   6.523   9.605   4.805
  271   1HH2  ARG  39          2HH1      ARG  39   3.752  11.690   5.294
  272   2HH2  ARG  39          1HH1      ARG  39   4.957  10.733   6.089
  273    H    ASN  40           H        ASN  40   6.007   8.221   0.006
  274    HA   ASN  40           HA       ASN  40   8.618   6.940   0.136
  275   1HB   ASN  40          2HB       ASN  40   5.765   5.930   0.456
  276   2HB   ASN  40          1HB       ASN  40   7.161   4.874   0.622
  277   1HD2  ASN  40          2HD2      ASN  40   6.555   7.817   3.434
  278   2HD2  ASN  40          1HD2      ASN  40   5.935   8.026   1.869
  279    H    CYS  41           H        CYS  41   9.566   5.672  -1.277
  280    HA   CYS  41           HA       CYS  41   8.256   5.161  -3.912
  281   1HB   CYS  41          2HB       CYS  41  11.166   5.593  -3.131
  282   2HB   CYS  41          1HB       CYS  41  10.681   5.046  -4.716
  283    H    ASP  42           H        ASP  42   7.864   3.091  -4.379
  284    HA   ASP  42           HA       ASP  42   9.404   0.968  -2.967
  285   1HB   ASP  42          2HB       ASP  42   6.916   1.506  -2.224
  286   2HB   ASP  42          1HB       ASP  42   6.462   0.619  -3.664
  287    HA   PRO  43           HA       PRO  43   9.670   0.302  -7.530
  288   1HB   PRO  43          2HB       PRO  43  12.457  -0.346  -7.293
  289   2HB   PRO  43          1HB       PRO  43  11.763   1.104  -7.995
  290   1HG   PRO  43          2HG       PRO  43  13.124   0.817  -5.435
  291   2HG   PRO  43          1HG       PRO  43  12.577   2.293  -6.213
  292   1HD   PRO  43          2HD       PRO  43  11.387   0.979  -3.933
  293   2HD   PRO  43          1HD       PRO  43  10.811   2.435  -4.765
  294    NH1  ARG  44           NH1      ARG  44  10.615  -0.317  -1.259
  295    NH2  ARG  44           NH2      ARG  44  11.072  -1.063   0.851
  296    H    ARG  44           H        ARG  44  10.719  -1.484  -4.770
  297    HA   ARG  44           HA       ARG  44  11.222  -4.003  -6.012
  298   1HB   ARG  44          2HB       ARG  44  10.928  -4.943  -3.720
  299   2HB   ARG  44          1HB       ARG  44  11.941  -3.511  -3.718
  300   1HG   ARG  44          2HG       ARG  44   9.901  -2.147  -3.099
  301   2HG   ARG  44          1HG       ARG  44   9.001  -3.648  -2.945
  302   1HD   ARG  44          2HD       ARG  44  10.239  -4.349  -1.056
  303   2HD   ARG  44          1HD       ARG  44  11.590  -3.274  -1.405
  304    HE   ARG  44           HE       ARG  44   8.993  -2.471  -0.204
  305   1HH1  ARG  44          2HH1      ARG  44  10.189  -0.482  -2.149
  306   2HH1  ARG  44          1HH1      ARG  44  11.102   0.538  -1.086
  307   1HH2  ARG  44          1HH2      ARG  44  10.987  -1.781   1.542
  308   2HH2  ARG  44          2HH2      ARG  44  11.570  -0.222   1.062
  309    H    ILE  45           H        ILE  45   8.255  -2.366  -5.471
  310    HA   ILE  45           HA       ILE  45   6.530  -4.667  -5.280
  311    HB   ILE  45           HB       ILE  45   6.130  -2.055  -4.792
  312   1HG1  ILE  45          2HG1      ILE  45   3.763  -3.536  -5.963
  313   2HG1  ILE  45          1HG1      ILE  45   4.520  -4.099  -4.489
  314   1HG2  ILE  45          2HG2      ILE  45   6.439  -1.392  -7.210
  315   2HG2  ILE  45          1HG2      ILE  45   4.935  -2.223  -7.580
  316   3HG2  ILE  45          3HG2      ILE  45   4.931  -0.846  -6.497
  317   1HD1  ILE  45          3HD1      ILE  45   4.029  -1.184  -4.407
  318   2HD1  ILE  45          2HD1      ILE  45   2.562  -2.116  -4.619
  319   3HD1  ILE  45          1HD1      ILE  45   3.608  -2.423  -3.243
  320    H    ALA  46           H        ALA  46   5.028  -5.384  -6.951
  321    HA   ALA  46           HA       ALA  46   6.098  -5.075  -9.728
  322   1HB   ALA  46          3HB       ALA  46   5.029  -7.558  -8.339
  323   2HB   ALA  46          2HB       ALA  46   5.413  -7.459 -10.056
  324   3HB   ALA  46          1HB       ALA  46   6.676  -7.242  -8.862
  325    OH   TYR  47           OH       TYR  47   3.308 -11.422  -9.589
  326    H    TYR  47           H        TYR  47   3.315  -5.885  -7.729
  327    HA   TYR  47           HA       TYR  47   1.508  -4.204  -9.187
  328   1HB   TYR  47          2HB       TYR  47   0.074  -6.240 -10.115
  329   2HB   TYR  47          1HB       TYR  47   1.484  -5.751 -11.019
  330    HD1  TYR  47           HD2      TYR  47   0.398  -8.178  -8.369
  331    HD2  TYR  47           HD1      TYR  47   3.187  -7.319 -11.474
  332    HE1  TYR  47           HE2      TYR  47   1.334 -10.433  -8.167
  333    HE2  TYR  47           HE1      TYR  47   4.114  -9.571 -11.265
  334    HH   TYR  47           HH       TYR  47   4.255 -11.341  -9.456
  335    H    GLY  48           H        GLY  48  -0.888  -5.340  -8.760
  336   1HA   GLY  48          2HA       GLY  48  -0.976  -5.900  -5.813
  337   2HA   GLY  48          1HA       GLY  48  -2.147  -4.877  -6.646
  338    H    ILE  49           H        ILE  49  -1.582  -7.940  -5.513
  339    HA   ILE  49           HA       ILE  49  -3.009  -9.441  -7.571
  340    HB   ILE  49           HB       ILE  49  -2.200 -10.273  -4.741
  341   1HG1  ILE  49          2HG1      ILE  49  -0.763 -10.895  -7.373
  342   2HG1  ILE  49          1HG1      ILE  49  -0.247  -9.628  -6.279
  343   1HG2  ILE  49          3HG2      ILE  49  -4.048 -11.660  -5.910
  344   2HG2  ILE  49          2HG2      ILE  49  -2.859 -12.061  -7.134
  345   3HG2  ILE  49          1HG2      ILE  49  -2.622 -12.564  -5.468
  346   1HD1  ILE  49          1HD1      ILE  49  -0.452 -12.577  -5.549
  347   2HD1  ILE  49          3HD1      ILE  49   1.023 -11.703  -5.890
  348   3HD1  ILE  49          2HD1      ILE  49   0.071 -11.291  -4.472
  349    H    CYS  50           H        CYS  50  -5.057  -8.469  -7.719
  350    HA   CYS  50           HA       CYS  50  -6.775  -8.181  -5.369
  351   1HB   CYS  50          2HB       CYS  50  -7.065  -7.693  -8.295
  352   2HB   CYS  50          1HB       CYS  50  -8.528  -7.980  -7.406
  353    HA   PRO  51           HA       PRO  51  -8.095 -12.482  -5.721
  354   1HB   PRO  51          2HB       PRO  51 -10.108 -12.313  -3.752
  355   2HB   PRO  51          1HB       PRO  51  -8.428 -12.749  -3.469
  356   1HG   PRO  51          2HG       PRO  51  -9.811 -10.216  -2.829
  357   2HG   PRO  51          1HG       PRO  51  -8.289 -10.825  -2.200
  358   1HD   PRO  51          2HD       PRO  51  -8.632  -8.764  -4.172
  359   2HD   PRO  51          1HD       PRO  51  -7.098  -9.503  -3.682
  360    H    LEU  52           H        LEU  52 -10.091  -9.696  -5.744
  361    HA   LEU  52           HA       LEU  52 -12.138 -10.997  -7.494
  362   1HB   LEU  52          2HB       LEU  52 -13.494  -8.836  -6.632
  363   2HB   LEU  52          1HB       LEU  52 -13.397 -10.286  -5.672
  364    HG   LEU  52           HG       LEU  52 -11.513  -9.311  -4.337
  365   1HD1  LEU  52          3HD1      LEU  52 -12.013  -6.855  -6.085
  366   2HD1  LEU  52          2HD1      LEU  52 -11.091  -6.819  -4.593
  367   3HD1  LEU  52          1HD1      LEU  52 -10.509  -7.755  -5.953
  368   1HD2  LEU  52          3HD2      LEU  52 -13.860  -9.039  -3.589
  369   2HD2  LEU  52          2HD2      LEU  52 -12.878  -7.665  -3.117
  370   3HD2  LEU  52          1HD2      LEU  52 -13.976  -7.532  -4.482
  371    H    ALA  53           H        ALA  53  -9.738 -10.184  -8.537
  372    HA   ALA  53           HA       ALA  53  -9.566  -7.552  -9.544
  373   1HB   ALA  53          1HB       ALA  53  -7.792  -9.378  -9.665
  374   2HB   ALA  53          3HB       ALA  53  -8.665 -10.049 -11.031
  375   3HB   ALA  53          2HB       ALA  53  -7.975  -8.437 -11.133
   
  Start of MODEL           9
 Raw file had  375 H/Q atoms
  Start of MODEL    9
    1   1H    ASP   1          2H        ASP   1  12.073   1.909 -15.774
    2   2H    ASP   1          1H        ASP   1  12.115   0.853 -17.105
    3   3H    ASP   1          3H        ASP   1  11.166   2.262 -17.165
    4    HA   ASP   1           HA       ASP   1   9.749   0.393 -16.802
    5   1HB   ASP   1          2HB       ASP   1  11.549  -1.041 -15.725
    6   2HB   ASP   1          1HB       ASP   1  11.399  -0.078 -14.267
    7    NH1  ARG   2           NH1      ARG   2   7.733   3.919 -17.520
    8    NH2  ARG   2           NH2      ARG   2   6.297   5.649 -17.115
    9    H    ARG   2           H        ARG   2  11.199   2.461 -14.389
   10    HA   ARG   2           HA       ARG   2  10.351   3.982 -12.861
   11   1HB   ARG   2          2HB       ARG   2   8.037   4.032 -14.873
   12   2HB   ARG   2          1HB       ARG   2   8.273   5.208 -13.599
   13   1HG   ARG   2          2HG       ARG   2  10.551   5.734 -14.564
   14   2HG   ARG   2          1HG       ARG   2  10.194   4.662 -15.904
   15   1HD   ARG   2          2HD       ARG   2   8.156   6.809 -15.286
   16   2HD   ARG   2          1HD       ARG   2   9.668   7.309 -16.026
   17    HE   ARG   2           HE       ARG   2   8.962   6.308 -18.021
   18   1HH1  ARG   2          2HH1      ARG   2   8.671   3.596 -17.641
   19   2HH1  ARG   2          1HH1      ARG   2   6.970   3.276 -17.582
   20   1HH2  ARG   2          1HH2      ARG   2   6.159   6.622 -16.931
   21   2HH2  ARG   2          2HH2      ARG   2   5.510   5.034 -17.170
   22    H    ILE   3           H        ILE   3  10.227   1.832 -11.681
   23    HA   ILE   3           HA       ILE   3   7.533   0.944 -10.931
   24    HB   ILE   3           HB       ILE   3   9.457  -0.656 -11.276
   25   1HG1  ILE   3          2HG1      ILE   3   9.142  -2.070  -9.329
   26   2HG1  ILE   3          1HG1      ILE   3   8.512  -0.746  -8.379
   27   1HG2  ILE   3          3HG2      ILE   3  10.729   0.756  -8.902
   28   2HG2  ILE   3          2HG2      ILE   3  11.260  -0.788  -9.540
   29   3HG2  ILE   3          1HG2      ILE   3  11.342   0.649 -10.536
   30   1HD1  ILE   3          1HD1      ILE   3   7.213  -1.577 -10.997
   31   2HD1  ILE   3          3HD1      ILE   3   6.784  -2.336  -9.475
   32   3HD1  ILE   3          2HD1      ILE   3   6.516  -0.619  -9.700
   33    H    CYS   4           H        CYS   4   7.824   3.569 -10.412
   34    HA   CYS   4           HA       CYS   4   8.609   3.992  -7.622
   35   1HB   CYS   4          2HB       CYS   4   7.809   5.692  -9.959
   36   2HB   CYS   4          1HB       CYS   4   7.629   6.384  -8.362
   37    H    THR   5           H        THR   5   6.719   2.161  -7.716
   38    HA   THR   5           HA       THR   5   4.090   3.311  -7.038
   39    HB   THR   5           HB       THR   5   3.603   0.712  -6.671
   40    HG1  THR   5           HG1      THR   5   5.285  -0.444  -7.864
   41   1HG2  THR   5          1HG2      THR   5   4.625   1.656  -9.404
   42   2HG2  THR   5          3HG2      THR   5   3.549   0.293  -9.121
   43   3HG2  THR   5          2HG2      THR   5   2.990   1.930  -8.816
   44    H    ASN   6           H        ASN   6   3.086   2.239  -5.041
   45    HA   ASN   6           HA       ASN   6   4.863   1.635  -2.810
   46   1HB   ASN   6          2HB       ASN   6   3.991   3.711  -1.467
   47   2HB   ASN   6          1HB       ASN   6   5.213   4.008  -2.679
   48   1HD2  ASN   6          2HD2      ASN   6   3.184   6.249  -4.390
   49   2HD2  ASN   6          1HD2      ASN   6   4.742   5.682  -4.009
   50    H    CYS   7           H        CYS   7   3.648   1.367  -0.787
   51    HA   CYS   7           HA       CYS   7   1.351  -0.284  -1.153
   52   1HB   CYS   7          2HB       CYS   7   2.821  -0.848   0.565
   53   2HB   CYS   7          1HB       CYS   7   2.897   0.775   1.182
   54    H    CYS   8           H        CYS   8   1.469   3.000  -1.132
   55    HA   CYS   8           HA       CYS   8  -1.069   3.459   0.316
   56   1HB   CYS   8          2HB       CYS   8   0.844   4.999   0.507
   57   2HB   CYS   8          1HB       CYS   8   0.690   5.395  -1.175
   58    H    ALA   9           H        ALA   9   0.135   4.259  -2.870
   59    HA   ALA   9           HA       ALA   9  -2.006   5.260  -4.199
   60   1HB   ALA   9          1HB       ALA   9   0.124   3.379  -5.244
   61   2HB   ALA   9          3HB       ALA   9  -0.942   4.315  -6.281
   62   3HB   ALA   9          2HB       ALA   9   0.174   5.132  -5.200
   63    H    GLY  10           H        GLY  10  -1.230   1.888  -4.710
   64   1HA   GLY  10          2HA       GLY  10  -2.696   0.440  -6.042
   65   2HA   GLY  10          1HA       GLY  10  -2.952   0.097  -4.361
   66    H    THR  11           H        THR  11  -4.946   0.042  -3.668
   67    HA   THR  11           HA       THR  11  -7.110   1.722  -4.197
   68    HB   THR  11           HB       THR  11  -6.758  -0.402  -6.353
   69    HG1  THR  11           HG1      THR  11  -6.912   1.494  -7.235
   70   1HG2  THR  11          1HG2      THR  11  -9.490   0.350  -5.133
   71   2HG2  THR  11          3HG2      THR  11  -9.301  -0.329  -6.742
   72   3HG2  THR  11          2HG2      THR  11  -8.871  -1.282  -5.336
   73    H    LYS  12           H        LYS  12  -8.434   1.354  -2.571
   74    HA   LYS  12           HA       LYS  12  -8.111  -0.632  -0.656
   75   1HB   LYS  12          2HB       LYS  12  -9.470   1.431  -0.394
   76   2HB   LYS  12          1HB       LYS  12 -10.732   0.746  -1.393
   77   1HG   LYS  12          2HG       LYS  12  -9.779  -0.870   0.980
   78   2HG   LYS  12          1HG       LYS  12 -10.700   0.565   1.346
   79   1HD   LYS  12          2HD       LYS  12 -11.715  -1.578  -0.583
   80   2HD   LYS  12          1HD       LYS  12 -12.044  -1.601   1.127
   81   1HE   LYS  12          2HE       LYS  12 -12.703   0.893  -0.474
   82   2HE   LYS  12          1HE       LYS  12 -13.792  -0.484  -0.471
   83   1HZ   LYS  12          2HZ       LYS  12 -12.996   0.022   2.161
   84   2HZ   LYS  12          1HZ       LYS  12 -13.496   1.481   1.452
   85   3HZ   LYS  12          3HZ       LYS  12 -14.545   0.146   1.474
   86    H    GLY  13           H        GLY  13  -8.108  -2.712  -0.990
   87   1HA   GLY  13          2HA       GLY  13  -9.766  -4.637  -1.154
   88   2HA   GLY  13          1HA       GLY  13 -10.184  -3.990  -2.734
   89    H    CYS  14           H        CYS  14  -7.297  -3.277  -3.254
   90    HA   CYS  14           HA       CYS  14  -6.548  -5.852  -4.401
   91   1HB   CYS  14          2HB       CYS  14  -5.231  -3.127  -4.395
   92   2HB   CYS  14          1HB       CYS  14  -4.576  -4.497  -5.251
   93    H    LYS  15           H        LYS  15  -3.956  -6.161  -4.291
   94    HA   LYS  15           HA       LYS  15  -3.052  -6.052  -1.457
   95   1HB   LYS  15          2HB       LYS  15  -3.232  -8.564  -3.184
   96   2HB   LYS  15          1HB       LYS  15  -2.206  -8.467  -1.780
   97   1HG   LYS  15          2HG       LYS  15  -3.912  -8.789  -0.337
   98   2HG   LYS  15          1HG       LYS  15  -4.909  -7.572  -1.089
   99   1HD   LYS  15          2HD       LYS  15  -4.572 -10.230  -2.493
  100   2HD   LYS  15          1HD       LYS  15  -5.646 -10.122  -1.114
  101   1HE   LYS  15          2HE       LYS  15  -7.135  -8.673  -2.184
  102   2HE   LYS  15          1HE       LYS  15  -5.916  -8.032  -3.275
  103   1HZ   LYS  15          2HZ       LYS  15  -6.180 -10.785  -3.726
  104   2HZ   LYS  15          1HZ       LYS  15  -7.723 -10.074  -3.749
  105   3HZ   LYS  15          3HZ       LYS  15  -6.504  -9.491  -4.778
  106    OH   TYR  16           OH       TYR  16  -2.324   0.956  -2.222
  107    H    TYR  16           H        TYR  16  -1.381  -4.681  -1.798
  108    HA   TYR  16           HA       TYR  16   0.316  -4.553  -4.075
  109   1HB   TYR  16          2HB       TYR  16   1.118  -3.958  -1.190
  110   2HB   TYR  16          1HB       TYR  16   1.952  -3.400  -2.624
  111    HD1  TYR  16           HD2      TYR  16   0.999  -1.577  -3.999
  112    HD2  TYR  16           HD1      TYR  16  -1.015  -2.990  -0.528
  113    HE1  TYR  16           HE2      TYR  16  -0.416   0.414  -3.999
  114    HE2  TYR  16           HE1      TYR  16  -2.412  -0.983  -0.533
  115    HH   TYR  16           HH       TYR  16  -1.793   1.699  -2.517
  116    H    PHE  17           H        PHE  17   1.967  -5.845  -4.721
  117    HA   PHE  17           HA       PHE  17   3.228  -7.668  -2.781
  118   1HB   PHE  17          2HB       PHE  17   1.558  -9.078  -3.485
  119   2HB   PHE  17          1HB       PHE  17   1.399  -8.366  -5.075
  120    HD1  PHE  17           HD2      PHE  17   3.479  -8.813  -6.681
  121    HD2  PHE  17           HD1      PHE  17   2.498 -11.175  -3.277
  122    HE1  PHE  17           HE2      PHE  17   4.726 -10.686  -7.614
  123    HE2  PHE  17           HE1      PHE  17   3.738 -13.046  -4.201
  124    HZ   PHE  17           HZ       PHE  17   4.864 -12.812  -6.402
  125    H    SER  18           H        SER  18   5.093  -8.596  -3.450
  126    HA   SER  18           HA       SER  18   6.668  -6.999  -5.390
  127   1HB   SER  18          2HB       SER  18   7.659  -6.732  -3.252
  128   2HB   SER  18          1HB       SER  18   7.432  -8.432  -2.823
  129    HG   SER  18           HG       SER  18   9.080  -7.335  -4.823
  130    H    ASP  19           H        ASP  19   7.680  -7.791  -6.904
  131    HA   ASP  19           HA       ASP  19   7.163 -10.104  -8.312
  132   1HB   ASP  19          2HB       ASP  19   9.439  -9.617  -9.453
  133   2HB   ASP  19          1HB       ASP  19   8.292  -8.298  -9.440
  134    H    ASP  20           H        ASP  20   9.333  -9.792  -5.647
  135    HA   ASP  20           HA       ASP  20  11.117 -11.920  -6.096
  136   1HB   ASP  20          2HB       ASP  20  11.663 -11.706  -3.796
  137   2HB   ASP  20          1HB       ASP  20  11.033 -10.118  -4.191
  138    H    GLY  21           H        GLY  21   7.803 -11.966  -5.205
  139   1HA   GLY  21          2HA       GLY  21   6.471 -13.973  -5.689
  140   2HA   GLY  21          1HA       GLY  21   7.790 -14.947  -5.034
  141    H    THR  22           H        THR  22   6.725 -11.894  -3.646
  142    HA   THR  22           HA       THR  22   5.285 -13.300  -1.483
  143    HB   THR  22           HB       THR  22   7.665 -11.478  -1.043
  144    HG1  THR  22           HG1      THR  22   7.176 -14.260  -0.862
  145   1HG2  THR  22          1HG2      THR  22   5.793 -13.013   0.865
  146   2HG2  THR  22          3HG2      THR  22   7.402 -12.518   1.368
  147   3HG2  THR  22          2HG2      THR  22   6.206 -11.307   0.951
  148    H    PHE  23           H        PHE  23   3.905 -12.105  -0.324
  149    HA   PHE  23           HA       PHE  23   2.729  -9.797  -1.587
  150   1HB   PHE  23          2HB       PHE  23   1.290 -11.337  -0.530
  151   2HB   PHE  23          1HB       PHE  23   2.303 -11.466   0.876
  152    HD1  PHE  23           HD2      PHE  23   2.274  -9.645   2.620
  153    HD2  PHE  23           HD1      PHE  23  -0.394  -9.584  -0.706
  154    HE1  PHE  23           HE2      PHE  23   0.867  -8.001   3.775
  155    HE2  PHE  23           HE1      PHE  23  -1.793  -7.944   0.455
  156    HZ   PHE  23           HZ       PHE  23  -1.169  -7.152   2.697
  157    H    VAL  24           H        VAL  24   2.560  -7.681  -0.664
  158    HA   VAL  24           HA       VAL  24   4.812  -6.922   1.142
  159    HB   VAL  24           HB       VAL  24   3.529  -5.430  -1.191
  160   1HG1  VAL  24          1HG1      VAL  24   5.530  -4.527   0.891
  161   2HG1  VAL  24          3HG1      VAL  24   5.520  -3.816  -0.713
  162   3HG1  VAL  24          2HG1      VAL  24   4.099  -3.688   0.304
  163   1HG2  VAL  24          1HG2      VAL  24   5.227  -7.336  -1.642
  164   2HG2  VAL  24          3HG2      VAL  24   5.600  -5.773  -2.342
  165   3HG2  VAL  24          2HG2      VAL  24   6.426  -6.303  -0.884
  166    H    CYS  25           H        CYS  25   1.632  -5.741   0.083
  167    HA   CYS  25           HA       CYS  25   0.700  -5.414   2.819
  168   1HB   CYS  25          2HB       CYS  25   1.165  -3.306   3.205
  169   2HB   CYS  25          1HB       CYS  25   2.187  -3.310   1.801
  170    H    GLU  26           H        GLU  26  -1.437  -3.956   2.674
  171    HA   GLU  26           HA       GLU  26  -3.007  -5.007   0.358
  172   1HB   GLU  26          2HB       GLU  26  -3.550  -4.748   3.264
  173   2HB   GLU  26          1HB       GLU  26  -4.903  -4.472   2.218
  174   1HG   GLU  26          2HG       GLU  26  -3.499  -6.856   1.261
  175   2HG   GLU  26          1HG       GLU  26  -3.823  -7.025   2.970
  176    H    GLY  27           H        GLY  27  -4.574  -3.921  -0.534
  177   1HA   GLY  27          2HA       GLY  27  -4.265  -1.234  -1.277
  178   2HA   GLY  27          1HA       GLY  27  -5.747  -2.156  -1.449
  179    H    GLU  28           H        GLU  28  -4.285   0.376   0.113
  180    HA   GLU  28           HA       GLU  28  -6.438   0.528   2.174
  181   1HB   GLU  28          2HB       GLU  28  -3.755   0.515   2.650
  182   2HB   GLU  28          1HB       GLU  28  -3.992   2.239   2.466
  183   1HG   GLU  28          2HG       GLU  28  -5.768   2.196   4.209
  184   2HG   GLU  28          1HG       GLU  28  -5.576   0.456   4.370
  185    H    SER  29           H        SER  29  -5.508   1.939  -0.693
  186    HA   SER  29           HA       SER  29  -6.291   4.682  -0.085
  187   1HB   SER  29          2HB       SER  29  -6.361   4.621  -2.803
  188   2HB   SER  29          1HB       SER  29  -4.826   4.659  -1.938
  189    HG   SER  29           HG       SER  29  -6.192   2.246  -2.459
  190    H    ASP  30           H        ASP  30  -8.297   4.473   0.818
  191    HA   ASP  30           HA       ASP  30 -10.517   3.240  -0.660
  192   1HB   ASP  30          2HB       ASP  30 -10.684   2.800   1.628
  193   2HB   ASP  30          1HB       ASP  30 -10.118   4.382   2.092
  194    HA   PRO  31           HA       PRO  31 -11.392   7.199  -2.566
  195   1HB   PRO  31          2HB       PRO  31 -13.825   6.475  -3.763
  196   2HB   PRO  31          1HB       PRO  31 -12.229   6.176  -4.430
  197   1HG   PRO  31          2HG       PRO  31 -14.091   4.249  -3.147
  198   2HG   PRO  31          1HG       PRO  31 -12.781   3.938  -4.278
  199   1HD   PRO  31          2HD       PRO  31 -12.708   3.515  -1.452
  200   2HD   PRO  31          1HD       PRO  31 -11.331   3.445  -2.569
  201    NH1  ARG  32           NH2      ARG  32 -18.373   9.353   3.099
  202    NH2  ARG  32           NH1      ARG  32 -19.641   7.506   2.654
  203    H    ARG  32           H        ARG  32 -11.623   7.937  -0.342
  204    HA   ARG  32           HA       ARG  32 -13.748   9.614   0.147
  205   1HB   ARG  32          2HB       ARG  32 -14.368   6.835   0.972
  206   2HB   ARG  32          1HB       ARG  32 -14.408   7.907   2.355
  207   1HG   ARG  32          2HG       ARG  32 -16.062   9.308   1.397
  208   2HG   ARG  32          1HG       ARG  32 -15.800   8.689  -0.218
  209   1HD   ARG  32          2HD       ARG  32 -17.765   7.550   0.368
  210   2HD   ARG  32          1HD       ARG  32 -16.559   6.363   0.842
  211    HE   ARG  32           HE       ARG  32 -16.902   6.977   3.156
  212   1HH1  ARG  32          1HH2      ARG  32 -17.469   9.777   3.152
  213   2HH1  ARG  32          2HH2      ARG  32 -19.189   9.883   3.323
  214   1HH2  ARG  32          2HH1      ARG  32 -19.687   6.548   2.372
  215   2HH2  ARG  32          1HH1      ARG  32 -20.480   8.005   2.870
  216    H    ASN  33           H        ASN  33 -11.409   7.431   1.640
  217    HA   ASN  33           HA       ASN  33 -10.937   9.233   3.885
  218   1HB   ASN  33          2HB       ASN  33  -9.354   7.579   4.662
  219   2HB   ASN  33          1HB       ASN  33 -10.711   6.705   4.006
  220   1HD2  ASN  33          2HD2      ASN  33  -7.812   4.850   2.852
  221   2HD2  ASN  33          1HD2      ASN  33  -8.631   5.185   4.293
  222    HA   PRO  34           HA       PRO  34  -7.678  11.549   1.915
  223   1HB   PRO  34          2HB       PRO  34  -6.161  12.267   4.155
  224   2HB   PRO  34          1HB       PRO  34  -7.622  13.075   3.615
  225   1HG   PRO  34          2HG       PRO  34  -7.261  11.241   5.925
  226   2HG   PRO  34          1HG       PRO  34  -8.516  12.442   5.653
  227   1HD   PRO  34          2HD       PRO  34  -8.771   9.600   5.303
  228   2HD   PRO  34          1HD       PRO  34  -9.959  10.839   4.855
  229    H    LYS  35           H        LYS  35  -6.947   9.519   0.896
  230    HA   LYS  35           HA       LYS  35  -4.914   7.863   2.065
  231   1HB   LYS  35          2HB       LYS  35  -4.530   7.181  -0.385
  232   2HB   LYS  35          1HB       LYS  35  -6.150   6.955   0.220
  233   1HG   LYS  35          2HG       LYS  35  -5.778   9.638  -0.996
  234   2HG   LYS  35          1HG       LYS  35  -5.428   8.352  -2.119
  235   1HD   LYS  35          2HD       LYS  35  -7.968   8.359  -0.445
  236   2HD   LYS  35          1HD       LYS  35  -7.883   9.229  -1.960
  237   1HE   LYS  35          2HE       LYS  35  -7.390   6.249  -1.600
  238   2HE   LYS  35          1HE       LYS  35  -8.848   6.961  -2.267
  239   1HZ   LYS  35          1HZ       LYS  35  -6.580   7.943  -3.631
  240   2HZ   LYS  35          3HZ       LYS  35  -6.572   6.244  -3.619
  241   3HZ   LYS  35          2HZ       LYS  35  -7.915   7.082  -4.232
  242    H    ALA  36           H        ALA  36  -3.232   8.962   2.872
  243    HA   ALA  36           HA       ALA  36  -1.903  11.155   1.473
  244   1HB   ALA  36          1HB       ALA  36  -1.199   9.615   4.007
  245   2HB   ALA  36          3HB       ALA  36  -0.339  11.041   3.446
  246   3HB   ALA  36          2HB       ALA  36  -2.023  11.164   3.921
  247    H    CYS  37           H        CYS  37  -1.191  10.346  -0.409
  248    HA   CYS  37           HA       CYS  37   0.886   8.199  -0.380
  249   1HB   CYS  37          2HB       CYS  37  -0.876   9.185  -2.614
  250   2HB   CYS  37          1HB       CYS  37   0.345   7.954  -2.779
  251    HA   PRO  38           HA       PRO  38   3.545  11.762  -1.520
  252   1HB   PRO  38          2HB       PRO  38   5.828  10.303  -0.636
  253   2HB   PRO  38          1HB       PRO  38   5.056  11.649   0.183
  254   1HG   PRO  38          2HG       PRO  38   4.974   8.809   0.890
  255   2HG   PRO  38          1HG       PRO  38   4.400  10.180   1.827
  256   1HD   PRO  38          2HD       PRO  38   2.821   8.255   0.382
  257   2HD   PRO  38          1HD       PRO  38   2.229   9.682   1.256
  258    NH1  ARG  39           NH1      ARG  39   1.932  13.552  -8.645
  259    NH2  ARG  39           NH2      ARG  39   1.526  11.329  -8.313
  260    H    ARG  39           H        ARG  39   5.499  11.634  -2.960
  261    HA   ARG  39           HA       ARG  39   4.949   9.743  -5.142
  262   1HB   ARG  39          2HB       ARG  39   6.965  12.022  -4.878
  263   2HB   ARG  39          1HB       ARG  39   6.665  11.138  -6.362
  264   1HG   ARG  39          2HG       ARG  39   4.372  12.498  -4.893
  265   2HG   ARG  39          1HG       ARG  39   5.403  13.411  -5.971
  266   1HD   ARG  39          2HD       ARG  39   4.709  12.221  -7.884
  267   2HD   ARG  39          1HD       ARG  39   4.164  10.824  -6.958
  268    HE   ARG  39           HE       ARG  39   2.522  12.864  -6.071
  269   1HH1  ARG  39          2HH1      ARG  39   2.385  14.392  -8.350
  270   2HH1  ARG  39          1HH1      ARG  39   1.354  13.556  -9.461
  271   1HH2  ARG  39          1HH2      ARG  39   1.675  10.504  -7.768
  272   2HH2  ARG  39          2HH2      ARG  39   0.940  11.295  -9.123
  273    H    ASN  40           H        ASN  40   6.138   8.847  -2.559
  274    HA   ASN  40           HA       ASN  40   8.885   8.161  -2.891
  275   1HB   ASN  40          2HB       ASN  40   6.689   6.825  -1.246
  276   2HB   ASN  40          1HB       ASN  40   8.404   6.481  -1.076
  277   1HD2  ASN  40          2HD2      ASN  40   7.543   9.032   1.473
  278   2HD2  ASN  40          1HD2      ASN  40   7.086   7.430   1.149
  279    H    CYS  41           H        CYS  41   9.860   6.602  -3.848
  280    HA   CYS  41           HA       CYS  41   8.386   4.793  -5.654
  281   1HB   CYS  41          2HB       CYS  41  11.327   5.518  -5.413
  282   2HB   CYS  41          1HB       CYS  41  10.664   4.493  -6.661
  283    H    ASP  42           H        ASP  42   8.359   2.620  -5.462
  284    HA   ASP  42           HA       ASP  42  10.000   1.344  -3.323
  285   1HB   ASP  42          2HB       ASP  42   7.547   1.797  -2.688
  286   2HB   ASP  42          1HB       ASP  42   7.101   0.614  -3.905
  287    HA   PRO  43           HA       PRO  43  10.713  -0.712  -7.381
  288   1HB   PRO  43          2HB       PRO  43  13.304  -1.516  -6.287
  289   2HB   PRO  43          1HB       PRO  43  12.959  -0.487  -7.669
  290   1HG   PRO  43          2HG       PRO  43  13.898   0.346  -5.092
  291   2HG   PRO  43          1HG       PRO  43  13.437   1.384  -6.433
  292   1HD   PRO  43          2HD       PRO  43  11.995   0.914  -3.947
  293   2HD   PRO  43          1HD       PRO  43  11.587   2.047  -5.250
  294    NH1  ARG  44           NH1      ARG  44  11.433  -6.990  -5.306
  295    NH2  ARG  44           NH2      ARG  44  13.491  -6.214  -4.687
  296    H    ARG  44           H        ARG  44  10.991  -1.854  -4.100
  297    HA   ARG  44           HA       ARG  44  11.315  -4.601  -4.622
  298   1HB   ARG  44          2HB       ARG  44  11.395  -3.402  -2.331
  299   2HB   ARG  44          1HB       ARG  44   9.647  -3.418  -2.348
  300   1HG   ARG  44          2HG       ARG  44  10.132  -5.365  -1.138
  301   2HG   ARG  44          1HG       ARG  44   9.869  -6.007  -2.740
  302   1HD   ARG  44          2HD       ARG  44  12.707  -5.231  -2.305
  303   2HD   ARG  44          1HD       ARG  44  12.142  -6.427  -1.154
  304    HE   ARG  44           HE       ARG  44  11.929  -7.993  -2.905
  305   1HH1  ARG  44          2HH1      ARG  44  10.564  -7.388  -5.024
  306   2HH1  ARG  44          1HH1      ARG  44  11.607  -6.778  -6.269
  307   1HH2  ARG  44          1HH2      ARG  44  14.156  -6.039  -3.962
  308   2HH2  ARG  44          2HH2      ARG  44  13.708  -5.979  -5.634
  309    H    ILE  45           H        ILE  45   8.400  -2.623  -4.282
  310    HA   ILE  45           HA       ILE  45   6.530  -4.731  -4.787
  311    HB   ILE  45           HB       ILE  45   6.457  -1.704  -4.722
  312   1HG1  ILE  45          2HG1      ILE  45   4.439  -3.672  -3.609
  313   2HG1  ILE  45          1HG1      ILE  45   6.011  -3.527  -2.859
  314   1HG2  ILE  45          2HG2      ILE  45   4.183  -3.340  -5.967
  315   2HG2  ILE  45          1HG2      ILE  45   4.065  -1.657  -5.485
  316   3HG2  ILE  45          3HG2      ILE  45   5.134  -2.114  -6.792
  317   1HD1  ILE  45          3HD1      ILE  45   4.565  -0.941  -3.369
  318   2HD1  ILE  45          2HD1      ILE  45   3.928  -1.974  -2.101
  319   3HD1  ILE  45          1HD1      ILE  45   5.585  -1.408  -2.018
  320    H    ALA  46           H        ALA  46   5.474  -5.255  -6.594
  321    HA   ALA  46           HA       ALA  46   6.779  -4.575  -9.202
  322   1HB   ALA  46          1HB       ALA  46   5.434  -7.156  -8.320
  323   2HB   ALA  46          3HB       ALA  46   6.160  -6.869  -9.898
  324   3HB   ALA  46          2HB       ALA  46   7.160  -6.881  -8.457
  325    OH   TYR  47           OH       TYR  47   4.037 -10.681  -9.981
  326    H    TYR  47           H        TYR  47   3.828  -5.435  -7.533
  327    HA   TYR  47           HA       TYR  47   2.198  -3.557  -8.961
  328   1HB   TYR  47          2HB       TYR  47   0.747  -5.510 -10.106
  329   2HB   TYR  47          1HB       TYR  47   2.174  -4.918 -10.915
  330    HD1  TYR  47           HD1      TYR  47   1.093  -7.580  -8.500
  331    HD2  TYR  47           HD2      TYR  47   3.870  -6.437 -11.521
  332    HE1  TYR  47           HE1      TYR  47   2.050  -9.832  -8.483
  333    HE2  TYR  47           HE2      TYR  47   4.823  -8.689 -11.498
  334    HH   TYR  47           HH       TYR  47   4.930 -10.620  -9.632
  335    H    GLY  48           H        GLY  48  -0.272  -4.647  -8.770
  336   1HA   GLY  48          2HA       GLY  48  -0.534  -5.491  -5.906
  337   2HA   GLY  48          1HA       GLY  48  -1.569  -4.261  -6.623
  338    H    ILE  49           H        ILE  49  -1.298  -7.497  -5.910
  339    HA   ILE  49           HA       ILE  49  -2.899  -8.561  -8.127
  340    HB   ILE  49           HB       ILE  49  -2.140  -9.740  -5.399
  341   1HG1  ILE  49          2HG1      ILE  49  -0.104  -9.430  -6.713
  342   2HG1  ILE  49          1HG1      ILE  49  -0.499 -11.130  -6.706
  343   1HG2  ILE  49          2HG2      ILE  49  -3.587 -10.965  -7.770
  344   2HG2  ILE  49          1HG2      ILE  49  -2.713 -11.966  -6.624
  345   3HG2  ILE  49          3HG2      ILE  49  -4.051 -10.972  -6.080
  346   1HD1  ILE  49          3HD1      ILE  49  -1.726 -10.635  -8.990
  347   2HD1  ILE  49          2HD1      ILE  49  -0.768  -9.161  -8.984
  348   3HD1  ILE  49          1HD1      ILE  49   0.023 -10.725  -8.972
  349    H    CYS  50           H        CYS  50  -4.970  -7.894  -8.248
  350    HA   CYS  50           HA       CYS  50  -6.461  -7.320  -5.755
  351   1HB   CYS  50          2HB       CYS  50  -7.308  -6.652  -8.580
  352   2HB   CYS  50          1HB       CYS  50  -7.909  -5.962  -7.109
  353    HA   PRO  51           HA       PRO  51  -9.156 -10.805  -6.444
  354   1HB   PRO  51          2HB       PRO  51 -11.586  -9.488  -5.640
  355   2HB   PRO  51          1HB       PRO  51 -10.570 -10.541  -4.665
  356   1HG   PRO  51          2HG       PRO  51 -10.870  -7.670  -4.430
  357   2HG   PRO  51          1HG       PRO  51  -9.874  -8.728  -3.441
  358   1HD   PRO  51          2HD       PRO  51  -9.015  -6.875  -5.516
  359   2HD   PRO  51          1HD       PRO  51  -8.008  -7.844  -4.434
  360    H    LEU  52           H        LEU  52  -9.986  -7.624  -7.513
  361    HA   LEU  52           HA       LEU  52 -11.624  -8.580  -9.792
  362   1HB   LEU  52          2HB       LEU  52 -12.094  -6.504  -8.194
  363   2HB   LEU  52          1HB       LEU  52 -10.909  -5.690  -9.179
  364    HG   LEU  52           HG       LEU  52 -12.527  -6.822 -11.143
  365   1HD1  LEU  52          1HD1      LEU  52 -14.123  -7.642  -9.384
  366   2HD1  LEU  52          3HD1      LEU  52 -14.364  -5.985  -8.854
  367   3HD1  LEU  52          2HD1      LEU  52 -14.874  -6.478 -10.461
  368   1HD2  LEU  52          1HD2      LEU  52 -12.882  -4.120  -9.778
  369   2HD2  LEU  52          3HD2      LEU  52 -11.786  -4.471 -11.105
  370   3HD2  LEU  52          2HD2      LEU  52 -13.519  -4.538 -11.361
  371    H    ALA  53           H        ALA  53  -9.071  -9.432  -9.815
  372    HA   ALA  53           HA       ALA  53  -7.252  -9.728 -11.204
  373   1HB   ALA  53          2HB       ALA  53  -8.980  -9.320 -13.022
  374   2HB   ALA  53          1HB       ALA  53  -8.541  -7.622 -13.035
  375   3HB   ALA  53          3HB       ALA  53  -7.359  -8.834 -13.485
   
  Start of MODEL          10
 Raw file had  375 H/Q atoms
  Start of MODEL   10
    1   1H    ASP   1          1H        ASP   1   9.076   3.127 -15.666
    2   2H    ASP   1          3H        ASP   1   9.561   2.217 -17.015
    3   3H    ASP   1          2H        ASP   1   9.684   1.555 -15.454
    4    HA   ASP   1           HA       ASP   1  11.846   2.216 -16.178
    5   1HB   ASP   1          2HB       ASP   1  10.560   4.970 -16.525
    6   2HB   ASP   1          1HB       ASP   1  12.280   4.651 -16.667
    7    NH1  ARG   2           NH2      ARG   2  15.719   6.160 -11.750
    8    NH2  ARG   2           NH1      ARG   2  15.778   5.591  -9.539
    9    H    ARG   2           H        ARG   2   9.566   4.109 -14.310
   10    HA   ARG   2           HA       ARG   2  11.262   3.822 -11.895
   11   1HB   ARG   2          2HB       ARG   2  10.629   6.370 -13.339
   12   2HB   ARG   2          1HB       ARG   2  10.368   6.454 -11.615
   13   1HG   ARG   2          2HG       ARG   2  12.970   5.388 -12.773
   14   2HG   ARG   2          1HG       ARG   2  12.705   7.092 -12.491
   15   1HD   ARG   2          2HD       ARG   2  11.978   6.281 -10.049
   16   2HD   ARG   2          1HD       ARG   2  12.939   4.867 -10.461
   17    HE   ARG   2           HE       ARG   2  13.943   7.611 -10.066
   18   1HH1  ARG   2          1HH2      ARG   2  15.232   6.590 -12.510
   19   2HH1  ARG   2          2HH2      ARG   2  16.617   5.746 -11.899
   20   1HH2  ARG   2          2HH1      ARG   2  15.336   5.596  -8.642
   21   2HH2  ARG   2          1HH1      ARG   2  16.677   5.168  -9.652
   22    H    ILE   3           H        ILE   3   9.640   2.268 -11.387
   23    HA   ILE   3           HA       ILE   3   6.865   2.998 -11.092
   24    HB   ILE   3           HB       ILE   3   7.506   0.659 -11.493
   25   1HG1  ILE   3          2HG1      ILE   3   6.303  -0.486  -9.607
   26   2HG1  ILE   3          1HG1      ILE   3   6.361   0.989  -8.673
   27   1HG2  ILE   3          1HG2      ILE   3   9.682   1.063  -9.810
   28   2HG2  ILE   3          3HG2      ILE   3   8.621   0.069  -8.829
   29   3HG2  ILE   3          2HG2      ILE   3   9.138  -0.494 -10.404
   30   1HD1  ILE   3          1HD1      ILE   3   5.172   0.967 -11.465
   31   2HD1  ILE   3          3HD1      ILE   3   4.210   0.543 -10.055
   32   3HD1  ILE   3          2HD1      ILE   3   4.924   2.143 -10.184
   33    H    CYS   4           H        CYS   4   6.840   4.840  -9.859
   34    HA   CYS   4           HA       CYS   4   7.879   4.713  -7.093
   35   1HB   CYS   4          2HB       CYS   4   7.184   6.880  -9.023
   36   2HB   CYS   4          1HB       CYS   4   6.978   7.258  -7.330
   37    H    THR   5           H        THR   5   6.001   3.007  -7.198
   38    HA   THR   5           HA       THR   5   3.376   4.153  -6.482
   39    HB   THR   5           HB       THR   5   3.677   2.003  -7.917
   40    HG1  THR   5           HG1      THR   5   2.232   1.720  -5.489
   41   1HG2  THR   5          3HG2      THR   5   5.427   0.959  -6.255
   42   2HG2  THR   5          2HG2      THR   5   4.054   0.639  -5.202
   43   3HG2  THR   5          1HG2      THR   5   4.129  -0.086  -6.800
   44    H    ASN   6           H        ASN   6   2.416   2.882  -4.483
   45    HA   ASN   6           HA       ASN   6   4.232   2.452  -2.239
   46   1HB   ASN   6          2HB       ASN   6   3.514   4.395  -0.904
   47   2HB   ASN   6          1HB       ASN   6   4.094   4.996  -2.443
   48   1HD2  ASN   6          2HD2      ASN   6   0.938   6.785  -1.899
   49   2HD2  ASN   6          1HD2      ASN   6   2.510   6.805  -1.273
   50    H    CYS   7           H        CYS   7   2.541   2.628  -0.140
   51    HA   CYS   7           HA       CYS   7   0.446   0.646  -0.859
   52   1HB   CYS   7          2HB       CYS   7   2.137   0.192   0.995
   53   2HB   CYS   7          1HB       CYS   7   1.311   1.415   1.940
   54    H    CYS   8           H        CYS   8   0.844   3.816   0.522
   55    HA   CYS   8           HA       CYS   8  -1.800   4.137   1.592
   56   1HB   CYS   8          2HB       CYS   8   0.103   5.535   2.227
   57   2HB   CYS   8          1HB       CYS   8   0.230   6.156   0.611
   58    H    ALA   9           H        ALA   9  -0.318   5.523  -1.267
   59    HA   ALA   9           HA       ALA   9  -2.922   6.124  -2.511
   60   1HB   ALA   9          2HB       ALA   9  -0.862   7.655  -2.604
   61   2HB   ALA   9          1HB       ALA   9  -0.150   6.514  -3.730
   62   3HB   ALA   9          3HB       ALA   9  -1.636   7.346  -4.147
   63    H    GLY  10           H        GLY  10  -3.185   3.736  -2.259
   64   1HA   GLY  10          2HA       GLY  10  -2.239   2.169  -4.624
   65   2HA   GLY  10          1HA       GLY  10  -2.819   1.489  -3.102
   66    H    THR  11           H        THR  11  -4.486   0.330  -3.732
   67    HA   THR  11           HA       THR  11  -6.898   1.713  -4.752
   68    HB   THR  11           HB       THR  11  -6.118  -0.987  -6.006
   69    HG1  THR  11           HG1      THR  11  -4.754   0.021  -7.237
   70   1HG2  THR  11          2HG2      THR  11  -8.453   0.083  -6.357
   71   2HG2  THR  11          1HG2      THR  11  -7.635   1.456  -7.088
   72   3HG2  THR  11          3HG2      THR  11  -7.536  -0.129  -7.840
   73    H    LYS  12           H        LYS  12  -8.169   1.405  -3.101
   74    HA   LYS  12           HA       LYS  12  -8.071  -0.520  -1.085
   75   1HB   LYS  12          2HB       LYS  12  -9.509   1.688  -1.489
   76   2HB   LYS  12          1HB       LYS  12 -10.773   0.556  -1.893
   77   1HG   LYS  12          2HG       LYS  12  -9.183   0.044   0.638
   78   2HG   LYS  12          1HG       LYS  12 -10.237   1.431   0.632
   79   1HD   LYS  12          2HD       LYS  12 -11.663  -0.220   1.442
   80   2HD   LYS  12          1HD       LYS  12 -12.086  -0.204  -0.254
   81   1HE   LYS  12          2HE       LYS  12 -11.195  -2.311  -0.628
   82   2HE   LYS  12          1HE       LYS  12  -9.863  -2.079   0.495
   83   1HZ   LYS  12          2HZ       LYS  12 -11.515  -2.276   2.308
   84   2HZ   LYS  12          1HZ       LYS  12 -12.675  -2.710   1.145
   85   3HZ   LYS  12          3HZ       LYS  12 -11.306  -3.687   1.385
   86    H    GLY  13           H        GLY  13  -7.760  -2.508  -1.757
   87   1HA   GLY  13          2HA       GLY  13  -9.483  -4.512  -1.839
   88   2HA   GLY  13          1HA       GLY  13  -9.789  -3.895  -3.456
   89    H    CYS  14           H        CYS  14  -6.838  -3.222  -3.739
   90    HA   CYS  14           HA       CYS  14  -6.058  -5.890  -4.719
   91   1HB   CYS  14          2HB       CYS  14  -4.767  -3.160  -5.004
   92   2HB   CYS  14          1HB       CYS  14  -4.091  -4.623  -5.658
   93    H    LYS  15           H        LYS  15  -3.971  -6.769  -4.333
   94    HA   LYS  15           HA       LYS  15  -2.904  -6.156  -1.604
   95   1HB   LYS  15          2HB       LYS  15  -3.009  -8.822  -3.069
   96   2HB   LYS  15          1HB       LYS  15  -2.273  -8.564  -1.508
   97   1HG   LYS  15          2HG       LYS  15  -4.890  -7.456  -1.272
   98   2HG   LYS  15          1HG       LYS  15  -5.108  -8.934  -2.184
   99   1HD   LYS  15          2HD       LYS  15  -4.059 -10.265  -0.448
  100   2HD   LYS  15          1HD       LYS  15  -3.511  -8.836   0.407
  101   1HE   LYS  15          2HE       LYS  15  -6.064  -8.218   0.564
  102   2HE   LYS  15          1HE       LYS  15  -6.331  -9.907   0.154
  103   1HZ   LYS  15          1HZ       LYS  15  -4.376  -9.478   2.226
  104   2HZ   LYS  15          3HZ       LYS  15  -5.943  -8.966   2.625
  105   3HZ   LYS  15          2HZ       LYS  15  -5.672 -10.576   2.153
  106    OH   TYR  16           OH       TYR  16  -0.338   0.871  -5.524
  107    H    TYR  16           H        TYR  16  -1.306  -4.770  -2.194
  108    HA   TYR  16           HA       TYR  16   0.455  -4.918  -4.376
  109   1HB   TYR  16          2HB       TYR  16   0.626  -3.741  -1.611
  110   2HB   TYR  16          1HB       TYR  16   2.116  -3.837  -2.520
  111    HD1  TYR  16           HD1      TYR  16   1.956  -2.984  -5.015
  112    HD2  TYR  16           HD2      TYR  16  -0.746  -1.849  -1.930
  113    HE1  TYR  16           HE1      TYR  16   1.366  -0.968  -6.275
  114    HE2  TYR  16           HE2      TYR  16  -1.331   0.153  -3.182
  115    HH   TYR  16           HH       TYR  16   0.489   1.238  -5.836
  116    H    PHE  17           H        PHE  17   2.080  -6.255  -4.902
  117    HA   PHE  17           HA       PHE  17   3.423  -7.837  -2.814
  118   1HB   PHE  17          2HB       PHE  17   1.791  -9.365  -3.269
  119   2HB   PHE  17          1HB       PHE  17   1.463  -8.768  -4.873
  120    HD1  PHE  17           HD2      PHE  17   3.310  -9.241  -6.666
  121    HD2  PHE  17           HD1      PHE  17   2.881 -11.431  -3.039
  122    HE1  PHE  17           HE2      PHE  17   4.514 -11.116  -7.650
  123    HE2  PHE  17           HE1      PHE  17   4.081 -13.303  -4.008
  124    HZ   PHE  17           HZ       PHE  17   4.909 -13.146  -6.360
  125    H    SER  18           H        SER  18   5.303  -8.904  -3.514
  126    HA   SER  18           HA       SER  18   6.721  -7.474  -5.699
  127   1HB   SER  18          2HB       SER  18   7.784  -7.093  -3.553
  128   2HB   SER  18          1HB       SER  18   7.787  -8.818  -3.177
  129    HG   SER  18           HG       SER  18   9.228  -7.339  -5.014
  130    H    ASP  19           H        ASP  19   7.492  -8.476  -7.290
  131    HA   ASP  19           HA       ASP  19   6.785 -10.897  -8.335
  132   1HB   ASP  19          2HB       ASP  19   8.698 -10.665  -9.883
  133   2HB   ASP  19          1HB       ASP  19   7.914  -9.123  -9.636
  134    H    ASP  20           H        ASP  20   9.270 -10.458  -5.969
  135    HA   ASP  20           HA       ASP  20  10.901 -12.708  -6.405
  136   1HB   ASP  20          2HB       ASP  20  11.669 -12.371  -4.177
  137   2HB   ASP  20          1HB       ASP  20  11.094 -10.783  -4.650
  138    H    GLY  21           H        GLY  21   7.709 -12.503  -5.141
  139   1HA   GLY  21          2HA       GLY  21   6.242 -14.479  -5.370
  140   2HA   GLY  21          1HA       GLY  21   7.569 -15.462  -4.747
  141    H    THR  22           H        THR  22   6.752 -12.251  -3.553
  142    HA   THR  22           HA       THR  22   5.470 -13.398  -1.146
  143    HB   THR  22           HB       THR  22   7.956 -11.652  -1.115
  144    HG1  THR  22           HG1      THR  22   7.329 -14.357  -0.597
  145   1HG2  THR  22          2HG2      THR  22   6.210 -12.847   1.130
  146   2HG2  THR  22          1HG2      THR  22   7.864 -12.330   1.413
  147   3HG2  THR  22          3HG2      THR  22   6.648 -11.156   0.949
  148    H    PHE  23           H        PHE  23   4.050 -12.124  -0.190
  149    HA   PHE  23           HA       PHE  23   2.957  -9.865  -1.579
  150   1HB   PHE  23          2HB       PHE  23   1.472 -11.242  -0.392
  151   2HB   PHE  23          1HB       PHE  23   2.524 -11.354   0.983
  152    HD1  PHE  23           HD2      PHE  23   2.719  -9.301   2.546
  153    HD2  PHE  23           HD1      PHE  23  -0.232  -9.562  -0.521
  154    HE1  PHE  23           HE2      PHE  23   1.425  -7.527   3.634
  155    HE2  PHE  23           HE1      PHE  23  -1.515  -7.795   0.573
  156    HZ   PHE  23           HZ       PHE  23  -0.696  -6.767   2.652
  157    H    VAL  24           H        VAL  24   2.749  -7.674  -0.664
  158    HA   VAL  24           HA       VAL  24   5.052  -6.873   1.055
  159    HB   VAL  24           HB       VAL  24   4.024  -5.545  -1.486
  160   1HG1  VAL  24          2HG1      VAL  24   6.110  -4.633   0.522
  161   2HG1  VAL  24          1HG1      VAL  24   6.045  -4.024  -1.123
  162   3HG1  VAL  24          3HG1      VAL  24   4.694  -3.751  -0.041
  163   1HG2  VAL  24          3HG2      VAL  24   5.491  -7.571  -1.811
  164   2HG2  VAL  24          2HG2      VAL  24   6.209  -6.092  -2.415
  165   3HG2  VAL  24          1HG2      VAL  24   6.747  -6.769  -0.886
  166    H    CYS  25           H        CYS  25   1.919  -5.859  -0.183
  167    HA   CYS  25           HA       CYS  25   1.010  -4.910   2.399
  168   1HB   CYS  25          2HB       CYS  25   1.573  -2.766   2.319
  169   2HB   CYS  25          1HB       CYS  25   2.496  -3.090   0.879
  170    H    GLU  26           H        GLU  26  -1.031  -3.368   1.826
  171    HA   GLU  26           HA       GLU  26  -2.592  -4.590  -0.395
  172   1HB   GLU  26          2HB       GLU  26  -3.152  -4.483   2.534
  173   2HB   GLU  26          1HB       GLU  26  -4.486  -3.948   1.546
  174   1HG   GLU  26          2HG       GLU  26  -4.865  -6.013   0.592
  175   2HG   GLU  26          1HG       GLU  26  -3.178  -6.472   0.610
  176    H    GLY  27           H        GLY  27  -3.323  -3.091  -1.732
  177   1HA   GLY  27          2HA       GLY  27  -2.844  -0.291  -1.379
  178   2HA   GLY  27          1HA       GLY  27  -3.909  -1.001  -2.604
  179    H    GLU  28           H        GLU  28  -3.864   0.963   0.033
  180    HA   GLU  28           HA       GLU  28  -6.658   0.344   0.884
  181   1HB   GLU  28          2HB       GLU  28  -4.428   1.841   2.284
  182   2HB   GLU  28          1HB       GLU  28  -6.058   1.730   2.912
  183   1HG   GLU  28          2HG       GLU  28  -5.856  -0.448   3.566
  184   2HG   GLU  28          1HG       GLU  28  -4.858  -0.905   2.200
  185    H    SER  29           H        SER  29  -5.591   2.306  -1.404
  186    HA   SER  29           HA       SER  29  -6.912   4.799  -0.459
  187   1HB   SER  29          2HB       SER  29  -4.952   4.138  -2.533
  188   2HB   SER  29          1HB       SER  29  -6.241   5.150  -3.188
  189    HG   SER  29           HG       SER  29  -5.081   5.639  -0.667
  190    H    ASP  30           H        ASP  30  -9.002   4.788  -0.470
  191    HA   ASP  30           HA       ASP  30 -10.609   3.222  -2.333
  192   1HB   ASP  30          2HB       ASP  30 -11.705   3.357  -0.282
  193   2HB   ASP  30          1HB       ASP  30 -11.099   4.960   0.069
  194    HA   PRO  31           HA       PRO  31 -10.743   6.648  -5.285
  195   1HB   PRO  31          2HB       PRO  31 -12.826   5.541  -6.874
  196   2HB   PRO  31          1HB       PRO  31 -11.102   5.325  -7.111
  197   1HG   PRO  31          2HG       PRO  31 -13.059   3.395  -6.048
  198   2HG   PRO  31          1HG       PRO  31 -11.441   3.097  -6.661
  199   1HD   PRO  31          2HD       PRO  31 -12.252   3.130  -3.911
  200   2HD   PRO  31          1HD       PRO  31 -10.593   3.005  -4.523
  201    NH1  ARG  32           NH2      ARG  32 -19.503   9.240  -4.318
  202    NH2  ARG  32           NH1      ARG  32 -20.096   7.034  -4.251
  203    H    ARG  32           H        ARG  32 -11.534   7.799  -3.412
  204    HA   ARG  32           HA       ARG  32 -13.644   9.482  -3.747
  205   1HB   ARG  32          2HB       ARG  32 -14.613   6.864  -2.718
  206   2HB   ARG  32          1HB       ARG  32 -15.031   8.170  -1.639
  207   1HG   ARG  32          2HG       ARG  32 -16.263   9.336  -3.279
  208   2HG   ARG  32          1HG       ARG  32 -15.525   8.463  -4.608
  209   1HD   ARG  32          2HD       ARG  32 -16.640   6.335  -3.687
  210   2HD   ARG  32          1HD       ARG  32 -17.551   7.389  -2.607
  211    HE   ARG  32           HE       ARG  32 -17.662   7.576  -5.598
  212   1HH1  ARG  32          1HH2      ARG  32 -18.792   9.932  -4.446
  213   2HH1  ARG  32          2HH2      ARG  32 -20.442   9.517  -4.120
  214   1HH2  ARG  32          2HH1      ARG  32 -19.828   6.074  -4.329
  215   2HH2  ARG  32          1HH1      ARG  32 -21.045   7.276  -4.052
  216    H    ASN  33           H        ASN  33 -11.490   7.809  -1.619
  217    HA   ASN  33           HA       ASN  33 -11.917   9.698   0.580
  218   1HB   ASN  33          2HB       ASN  33 -10.449   8.320   1.876
  219   2HB   ASN  33          1HB       ASN  33 -11.502   7.246   0.990
  220   1HD2  ASN  33          2HD2      ASN  33  -8.124   5.804   0.796
  221   2HD2  ASN  33          1HD2      ASN  33  -9.269   6.115   2.012
  222    HA   PRO  34           HA       PRO  34  -8.285  12.109  -0.619
  223   1HB   PRO  34          2HB       PRO  34  -8.153  13.724   1.623
  224   2HB   PRO  34          1HB       PRO  34  -9.267  13.979   0.290
  225   1HG   PRO  34          2HG       PRO  34  -9.842  12.877   3.008
  226   2HG   PRO  34          1HG       PRO  34 -10.920  13.729   1.907
  227   1HD   PRO  34          2HD       PRO  34 -10.809  10.874   2.303
  228   2HD   PRO  34          1HD       PRO  34 -11.720  11.746   1.057
  229    H    LYS  35           H        LYS  35  -7.261   9.815  -0.260
  230    HA   LYS  35           HA       LYS  35  -5.952   9.318   2.273
  231   1HB   LYS  35          2HB       LYS  35  -6.549   7.663   0.298
  232   2HB   LYS  35          1HB       LYS  35  -5.041   8.188  -0.404
  233   1HG   LYS  35          2HG       LYS  35  -4.099   6.530   0.859
  234   2HG   LYS  35          1HG       LYS  35  -4.232   7.659   2.190
  235   1HD   LYS  35          2HD       LYS  35  -6.482   6.723   2.753
  236   2HD   LYS  35          1HD       LYS  35  -6.323   5.577   1.433
  237   1HE   LYS  35          2HE       LYS  35  -4.256   4.651   2.516
  238   2HE   LYS  35          1HE       LYS  35  -4.515   5.742   3.874
  239   1HZ   LYS  35          2HZ       LYS  35  -6.561   3.834   2.941
  240   2HZ   LYS  35          1HZ       LYS  35  -5.407   3.437   4.122
  241   3HZ   LYS  35          3HZ       LYS  35  -6.524   4.687   4.410
  242    H    ALA  36           H        ALA  36  -4.902  11.216   2.767
  243    HA   ALA  36           HA       ALA  36  -2.955  12.473   1.010
  244   1HB   ALA  36          2HB       ALA  36  -4.303  13.801   2.567
  245   2HB   ALA  36          1HB       ALA  36  -3.597  12.954   3.934
  246   3HB   ALA  36          3HB       ALA  36  -2.596  13.996   2.931
  247    H    CYS  37           H        CYS  37  -0.985  11.915   0.737
  248    HA   CYS  37           HA       CYS  37   0.821  11.134   2.882
  249   1HB   CYS  37          2HB       CYS  37   0.004   9.193   0.712
  250   2HB   CYS  37          1HB       CYS  37   1.531   9.033   1.523
  251    HA   PRO  38           HA       PRO  38   3.774  12.685  -0.191
  252   1HB   PRO  38          2HB       PRO  38   5.859  10.801   0.484
  253   2HB   PRO  38          1HB       PRO  38   5.751  12.498   0.923
  254   1HG   PRO  38          2HG       PRO  38   5.369  10.212   2.648
  255   2HG   PRO  38          1HG       PRO  38   5.252  11.910   3.082
  256   1HD   PRO  38          2HD       PRO  38   3.076  10.000   2.746
  257   2HD   PRO  38          1HD       PRO  38   2.970  11.687   3.277
  258    NH1  ARG  39           NH2      ARG  39   1.388  12.441  -5.198
  259    NH2  ARG  39           NH1      ARG  39   2.104  13.911  -6.793
  260    H    ARG  39           H        ARG  39   4.844  11.936  -2.120
  261    HA   ARG  39           HA       ARG  39   3.457   9.633  -3.340
  262   1HB   ARG  39          2HB       ARG  39   3.806  11.975  -4.417
  263   2HB   ARG  39          1HB       ARG  39   5.475  11.512  -4.661
  264   1HG   ARG  39          2HG       ARG  39   4.844   9.643  -6.079
  265   2HG   ARG  39          1HG       ARG  39   3.153   9.792  -5.643
  266   1HD   ARG  39          2HD       ARG  39   4.453  12.213  -6.894
  267   2HD   ARG  39          1HD       ARG  39   4.116  10.838  -7.933
  268    HE   ARG  39           HE       ARG  39   1.793  11.198  -7.635
  269   1HH1  ARG  39          1HH2      ARG  39   1.298  11.495  -4.886
  270   2HH1  ARG  39          2HH2      ARG  39   1.039  13.191  -4.637
  271   1HH2  ARG  39          2HH1      ARG  39   2.550  14.068  -7.674
  272   2HH2  ARG  39          1HH1      ARG  39   1.769  14.685  -6.256
  273    H    ASN  40           H        ASN  40   4.747   8.464  -1.601
  274    HA   ASN  40           HA       ASN  40   7.515   7.948  -1.759
  275   1HB   ASN  40          2HB       ASN  40   5.260   6.095  -0.868
  276   2HB   ASN  40          1HB       ASN  40   6.962   5.852  -0.500
  277   1HD2  ASN  40          2HD2      ASN  40   4.828   8.725   1.479
  278   2HD2  ASN  40          1HD2      ASN  40   4.179   7.973   0.103
  279    H    CYS  41           H        CYS  41   8.706   6.310  -2.647
  280    HA   CYS  41           HA       CYS  41   7.582   5.072  -5.111
  281   1HB   CYS  41          2HB       CYS  41  10.437   5.831  -4.380
  282   2HB   CYS  41          1HB       CYS  41   9.981   5.044  -5.870
  283    H    ASP  42           H        ASP  42   7.447   2.935  -5.217
  284    HA   ASP  42           HA       ASP  42   9.010   1.291  -3.269
  285   1HB   ASP  42          2HB       ASP  42   6.440   1.630  -2.905
  286   2HB   ASP  42          1HB       ASP  42   6.246   0.493  -4.222
  287    HA   PRO  43           HA       PRO  43  10.101  -0.263  -7.496
  288   1HB   PRO  43          2HB       PRO  43  12.779  -0.676  -6.507
  289   2HB   PRO  43          1HB       PRO  43  12.234   0.450  -7.739
  290   1HG   PRO  43          2HG       PRO  43  13.059   1.054  -5.034
  291   2HG   PRO  43          1HG       PRO  43  12.542   2.185  -6.274
  292   1HD   PRO  43          2HD       PRO  43  11.073   1.335  -3.923
  293   2HD   PRO  43          1HD       PRO  43  10.560   2.500  -5.153
  294    NH1  ARG  44           NH2      ARG  44   9.257  -0.835   0.303
  295    NH2  ARG  44           NH1      ARG  44   8.002  -2.649  -0.280
  296    H    ARG  44           H        ARG  44  10.348  -1.329  -4.261
  297    HA   ARG  44           HA       ARG  44  11.232  -4.022  -4.649
  298   1HB   ARG  44          2HB       ARG  44   9.243  -3.372  -2.471
  299   2HB   ARG  44          1HB       ARG  44  10.671  -4.378  -2.399
  300   1HG   ARG  44          2HG       ARG  44  11.996  -2.127  -2.772
  301   2HG   ARG  44          1HG       ARG  44  10.500  -1.349  -2.294
  302   1HD   ARG  44          2HD       ARG  44  12.147  -3.311  -0.644
  303   2HD   ARG  44          1HD       ARG  44  11.871  -1.613  -0.295
  304    HE   ARG  44           HE       ARG  44  10.201  -3.687   0.586
  305   1HH1  ARG  44          1HH2      ARG  44  10.148  -0.449   0.536
  306   2HH1  ARG  44          2HH2      ARG  44   8.445  -0.251   0.282
  307   1HH2  ARG  44          2HH1      ARG  44   7.953  -3.625  -0.488
  308   2HH2  ARG  44          1HH1      ARG  44   7.174  -2.089  -0.306
  309    H    ILE  45           H        ILE  45   8.067  -2.517  -4.702
  310    HA   ILE  45           HA       ILE  45   6.544  -4.943  -5.000
  311    HB   ILE  45           HB       ILE  45   6.062  -1.974  -5.166
  312   1HG1  ILE  45          2HG1      ILE  45   4.186  -4.016  -3.961
  313   2HG1  ILE  45          1HG1      ILE  45   5.743  -3.778  -3.207
  314   1HG2  ILE  45          1HG2      ILE  45   4.044  -3.931  -6.360
  315   2HG2  ILE  45          3HG2      ILE  45   3.738  -2.240  -6.004
  316   3HG2  ILE  45          2HG2      ILE  45   4.895  -2.670  -7.241
  317   1HD1  ILE  45          3HD1      ILE  45   4.692  -1.148  -3.679
  318   2HD1  ILE  45          2HD1      ILE  45   3.405  -2.102  -2.974
  319   3HD1  ILE  45          1HD1      ILE  45   4.935  -1.956  -2.141
  320    H    ALA  46           H        ALA  46   5.466  -5.666  -6.828
  321    HA   ALA  46           HA       ALA  46   6.731  -5.001  -9.453
  322   1HB   ALA  46          3HB       ALA  46   5.914  -7.735  -8.395
  323   2HB   ALA  46          2HB       ALA  46   6.557  -7.417  -9.999
  324   3HB   ALA  46          1HB       ALA  46   7.558  -7.149  -8.583
  325    OH   TYR  47           OH       TYR  47   6.463  -9.888 -12.145
  326    H    TYR  47           H        TYR  47   3.935  -6.371  -7.814
  327    HA   TYR  47           HA       TYR  47   2.115  -5.065  -9.725
  328   1HB   TYR  47          2HB       TYR  47   1.377  -7.943  -9.354
  329   2HB   TYR  47          1HB       TYR  47   1.260  -6.947 -10.784
  330    HD1  TYR  47           HD2      TYR  47   3.189  -6.772 -12.345
  331    HD2  TYR  47           HD1      TYR  47   3.365  -9.280  -8.909
  332    HE1  TYR  47           HE2      TYR  47   5.144  -7.914 -13.276
  333    HE2  TYR  47           HE1      TYR  47   5.318 -10.420  -9.845
  334    HH   TYR  47           HH       TYR  47   6.153 -10.653 -12.634
  335    H    GLY  48           H        GLY  48  -0.203  -5.944  -9.142
  336   1HA   GLY  48          2HA       GLY  48  -0.536  -5.932  -6.162
  337   2HA   GLY  48          1HA       GLY  48  -1.531  -4.928  -7.228
  338    H    ILE  49           H        ILE  49  -1.262  -7.925  -5.732
  339    HA   ILE  49           HA       ILE  49  -2.795  -9.493  -7.665
  340    HB   ILE  49           HB       ILE  49  -2.109 -10.059  -4.728
  341   1HG1  ILE  49          2HG1      ILE  49  -0.714 -11.187  -7.213
  342   2HG1  ILE  49          1HG1      ILE  49  -0.099  -9.795  -6.350
  343   1HG2  ILE  49          2HG2      ILE  49  -4.060 -11.393  -5.674
  344   2HG2  ILE  49          1HG2      ILE  49  -2.990 -11.995  -6.925
  345   3HG2  ILE  49          3HG2      ILE  49  -2.700 -12.400  -5.242
  346   1HD1  ILE  49          1HD1      ILE  49  -0.549 -12.526  -5.091
  347   2HD1  ILE  49          3HD1      ILE  49   0.993 -11.874  -5.602
  348   3HD1  ILE  49          2HD1      ILE  49   0.115 -11.112  -4.284
  349    H    CYS  50           H        CYS  50  -4.615  -8.284  -7.989
  350    HA   CYS  50           HA       CYS  50  -6.403  -7.633  -5.730
  351   1HB   CYS  50          2HB       CYS  50  -7.071  -7.177  -8.632
  352   2HB   CYS  50          1HB       CYS  50  -7.581  -6.259  -7.248
  353    HA   PRO  51           HA       PRO  51  -8.876 -11.265  -6.214
  354   1HB   PRO  51          2HB       PRO  51 -11.438 -10.009  -5.831
  355   2HB   PRO  51          1HB       PRO  51 -10.474 -10.887  -4.653
  356   1HG   PRO  51          2HG       PRO  51 -10.879  -8.005  -4.862
  357   2HG   PRO  51          1HG       PRO  51 -10.060  -8.896  -3.588
  358   1HD   PRO  51          2HD       PRO  51  -8.835  -7.263  -5.613
  359   2HD   PRO  51          1HD       PRO  51  -8.008  -8.274  -4.413
  360    H    LEU  52           H        LEU  52  -9.373  -8.517  -8.167
  361    HA   LEU  52           HA       LEU  52 -11.296  -9.724 -10.003
  362   1HB   LEU  52          2HB       LEU  52 -11.042  -7.226  -9.562
  363   2HB   LEU  52          1HB       LEU  52  -9.525  -7.288 -10.428
  364    HG   LEU  52           HG       LEU  52 -11.258  -8.555 -12.239
  365   1HD1  LEU  52          1HD1      LEU  52 -13.211  -7.971 -10.795
  366   2HD1  LEU  52          3HD1      LEU  52 -12.801  -6.269 -10.946
  367   3HD1  LEU  52          2HD1      LEU  52 -13.292  -7.185 -12.362
  368   1HD2  LEU  52          1HD2      LEU  52 -10.615  -5.584 -12.072
  369   2HD2  LEU  52          3HD2      LEU  52  -9.594  -6.814 -12.801
  370   3HD2  LEU  52          2HD2      LEU  52 -11.153  -6.436 -13.512
  371    H    ALA  53           H        ALA  53 -10.884 -10.719 -11.882
  372    HA   ALA  53           HA       ALA  53  -8.369 -12.005 -12.312
  373   1HB   ALA  53          2HB       ALA  53 -10.752 -11.647 -14.173
  374   2HB   ALA  53          1HB       ALA  53  -9.425 -12.762 -14.463
  375   3HB   ALA  53          3HB       ALA  53 -10.481 -12.993 -13.079
   
  Start of MODEL          11
 Raw file had  375 H/Q atoms
  Start of MODEL   11
    1   1H    ASP   1          1H        ASP   1   8.143   4.796 -15.643
    2   2H    ASP   1          3H        ASP   1   8.239   5.435 -17.213
    3   3H    ASP   1          2H        ASP   1   8.119   3.755 -16.986
    4    HA   ASP   1           HA       ASP   1  10.351   4.164 -17.499
    5   1HB   ASP   1          2HB       ASP   1  10.301   6.620 -17.060
    6   2HB   ASP   1          1HB       ASP   1  10.233   6.326 -15.333
    7    NH1  ARG   2           NH2      ARG   2  14.831   3.652 -14.282
    8    NH2  ARG   2           NH1      ARG   2  15.866   1.798 -13.453
    9    H    ARG   2           H        ARG   2   9.005   4.329 -14.269
   10    HA   ARG   2           HA       ARG   2  10.325   1.814 -13.514
   11   1HB   ARG   2          2HB       ARG   2  11.822   3.951 -12.948
   12   2HB   ARG   2          1HB       ARG   2  10.688   4.168 -11.636
   13   1HG   ARG   2          2HG       ARG   2  12.284   2.824 -10.584
   14   2HG   ARG   2          1HG       ARG   2  11.187   1.588 -11.154
   15   1HD   ARG   2          2HD       ARG   2  13.352   0.834 -11.847
   16   2HD   ARG   2          1HD       ARG   2  12.668   1.527 -13.314
   17    HE   ARG   2           HE       ARG   2  14.257   3.363 -11.627
   18   1HH1  ARG   2          1HH2      ARG   2  14.116   4.347 -14.216
   19   2HH1  ARG   2          2HH2      ARG   2  15.465   3.666 -15.055
   20   1HH2  ARG   2          2HH1      ARG   2  15.931   1.099 -12.742
   21   2HH2  ARG   2          1HH1      ARG   2  16.502   1.788 -14.225
   22    H    ILE   3           H        ILE   3   9.379   0.818 -11.723
   23    HA   ILE   3           HA       ILE   3   6.579   1.328 -11.364
   24    HB   ILE   3           HB       ILE   3   7.498  -0.943 -11.333
   25   1HG1  ILE   3          2HG1      ILE   3   6.593  -1.787  -9.111
   26   2HG1  ILE   3          1HG1      ILE   3   6.358  -0.126  -8.625
   27   1HG2  ILE   3          2HG2      ILE   3   9.572   0.142  -9.668
   28   2HG2  ILE   3          1HG2      ILE   3   8.787  -1.152  -8.779
   29   3HG2  ILE   3          3HG2      ILE   3   9.452  -1.457 -10.368
   30   1HD1  ILE   3          1HD1      ILE   3   5.225  -1.265 -11.219
   31   2HD1  ILE   3          3HD1      ILE   3   4.335  -1.299  -9.706
   32   3HD1  ILE   3          2HD1      ILE   3   4.775   0.240 -10.432
   33    H    CYS   4           H        CYS   4   6.459   3.411 -10.597
   34    HA   CYS   4           HA       CYS   4   7.555   4.015  -7.917
   35   1HB   CYS   4          2HB       CYS   4   6.623   5.600 -10.278
   36   2HB   CYS   4          1HB       CYS   4   6.428   6.360  -8.722
   37    H    THR   5           H        THR   5   5.532   2.173  -8.067
   38    HA   THR   5           HA       THR   5   3.043   3.477  -7.111
   39    HB   THR   5           HB       THR   5   2.382   0.892  -6.797
   40    HG1  THR   5           HG1      THR   5   4.827   0.584  -7.104
   41   1HG2  THR   5          2HG2      THR   5   3.125   1.972  -9.568
   42   2HG2  THR   5          1HG2      THR   5   2.034   0.628  -9.252
   43   3HG2  THR   5          3HG2      THR   5   1.585   2.253  -8.764
   44    H    ASN   6           H        ASN   6   2.116   2.451  -5.056
   45    HA   ASN   6           HA       ASN   6   4.086   1.600  -3.059
   46   1HB   ASN   6          2HB       ASN   6   3.715   3.556  -1.550
   47   2HB   ASN   6          1HB       ASN   6   4.456   4.045  -3.062
   48   1HD2  ASN   6          2HD2      ASN   6   1.678   6.413  -2.321
   49   2HD2  ASN   6          1HD2      ASN   6   3.118   5.958  -1.545
   50    H    CYS   7           H        CYS   7   3.218   1.016  -1.085
   51    HA   CYS   7           HA       CYS   7   0.760  -0.359  -1.158
   52   1HB   CYS   7          2HB       CYS   7   2.359  -1.189   0.300
   53   2HB   CYS   7          1HB       CYS   7   2.769   0.379   0.919
   54    H    CYS   8           H        CYS   8   1.380   2.904  -0.535
   55    HA   CYS   8           HA       CYS   8  -1.071   3.358   1.037
   56   1HB   CYS   8          2HB       CYS   8   1.099   4.484   1.500
   57   2HB   CYS   8          1HB       CYS   8   0.986   5.303  -0.027
   58    H    ALA   9           H        ALA   9   0.234   4.995  -1.810
   59    HA   ALA   9           HA       ALA   9  -2.481   5.585  -2.797
   60   1HB   ALA   9          2HB       ALA   9  -0.743   7.365  -2.664
   61   2HB   ALA   9          1HB       ALA   9   0.222   6.508  -3.850
   62   3HB   ALA   9          3HB       ALA   9  -1.346   7.155  -4.297
   63    H    GLY  10           H        GLY  10  -2.399   3.020  -3.118
   64   1HA   GLY  10          2HA       GLY  10  -1.587   2.481  -5.953
   65   2HA   GLY  10          1HA       GLY  10  -1.703   1.268  -4.712
   66    H    THR  11           H        THR  11  -3.781   0.607  -3.992
   67    HA   THR  11           HA       THR  11  -6.239   1.488  -5.179
   68    HB   THR  11           HB       THR  11  -5.647   0.641  -7.332
   69    HG1  THR  11           HG1      THR  11  -6.927  -1.161  -7.536
   70   1HG2  THR  11          3HG2      THR  11  -4.156  -1.468  -5.750
   71   2HG2  THR  11          2HG2      THR  11  -4.786  -1.930  -7.326
   72   3HG2  THR  11          1HG2      THR  11  -3.650  -0.603  -7.186
   73    H    LYS  12           H        LYS  12  -7.533   1.181  -3.636
   74    HA   LYS  12           HA       LYS  12  -7.537  -0.636  -1.545
   75   1HB   LYS  12          2HB       LYS  12  -8.933   1.303  -1.439
   76   2HB   LYS  12          1HB       LYS  12  -9.737   0.914  -2.942
   77   1HG   LYS  12          2HG       LYS  12 -11.339   0.392  -1.291
   78   2HG   LYS  12          1HG       LYS  12 -10.694  -1.165  -1.711
   79   1HD   LYS  12          2HD       LYS  12  -9.024  -0.042   0.393
   80   2HD   LYS  12          1HD       LYS  12 -10.697   0.157   0.870
   81   1HE   LYS  12          2HE       LYS  12 -11.112  -2.150   0.882
   82   2HE   LYS  12          1HE       LYS  12  -9.800  -2.498  -0.240
   83   1HZ   LYS  12          2HZ       LYS  12  -9.109  -1.332   2.337
   84   2HZ   LYS  12          1HZ       LYS  12  -9.530  -2.987   2.279
   85   3HZ   LYS  12          3HZ       LYS  12  -8.257  -2.371   1.325
   86    H    GLY  13           H        GLY  13  -7.707  -2.775  -1.560
   87   1HA   GLY  13          2HA       GLY  13  -9.137  -4.733  -1.975
   88   2HA   GLY  13          1HA       GLY  13  -9.453  -4.123  -3.586
   89    H    CYS  14           H        CYS  14  -6.527  -3.459  -4.041
   90    HA   CYS  14           HA       CYS  14  -5.778  -6.217  -4.802
   91   1HB   CYS  14          2HB       CYS  14  -4.551  -3.545  -5.431
   92   2HB   CYS  14          1HB       CYS  14  -3.946  -5.064  -6.013
   93    H    LYS  15           H        LYS  15  -4.563  -7.410  -3.592
   94    HA   LYS  15           HA       LYS  15  -3.215  -6.485  -1.230
   95   1HB   LYS  15          2HB       LYS  15  -3.025  -9.086  -2.797
   96   2HB   LYS  15          1HB       LYS  15  -2.257  -8.848  -1.243
   97   1HG   LYS  15          2HG       LYS  15  -4.396  -8.534  -0.137
   98   2HG   LYS  15          1HG       LYS  15  -5.247  -8.455  -1.667
   99   1HD   LYS  15          2HD       LYS  15  -5.611 -10.688  -1.485
  100   2HD   LYS  15          1HD       LYS  15  -3.914 -10.926  -1.844
  101   1HE   LYS  15          2HE       LYS  15  -5.083 -10.590   0.949
  102   2HE   LYS  15          1HE       LYS  15  -4.543 -12.105   0.239
  103   1HZ   LYS  15          2HZ       LYS  15  -2.407 -10.478  -0.085
  104   2HZ   LYS  15          1HZ       LYS  15  -3.044  -9.990   1.410
  105   3HZ   LYS  15          3HZ       LYS  15  -2.605 -11.613   1.166
  106    OH   TYR  16           OH       TYR  16  -2.470   0.706  -2.418
  107    H    TYR  16           H        TYR  16  -1.645  -4.985  -1.609
  108    HA   TYR  16           HA       TYR  16   0.155  -4.766  -3.741
  109   1HB   TYR  16          2HB       TYR  16   0.745  -4.204  -0.803
  110   2HB   TYR  16          1HB       TYR  16   1.745  -3.688  -2.141
  111    HD1  TYR  16           HD2      TYR  16   0.753  -2.144  -3.887
  112    HD2  TYR  16           HD1      TYR  16  -1.192  -2.989  -0.211
  113    HE1  TYR  16           HE2      TYR  16  -0.595  -0.157  -4.153
  114    HE2  TYR  16           HE1      TYR  16  -2.555  -0.967  -0.466
  115    HH   TYR  16           HH       TYR  16  -1.873   1.427  -2.630
  116    H    PHE  17           H        PHE  17   1.841  -5.936  -4.418
  117    HA   PHE  17           HA       PHE  17   3.250  -7.723  -2.565
  118   1HB   PHE  17          2HB       PHE  17   1.628  -9.202  -3.141
  119   2HB   PHE  17          1HB       PHE  17   1.296  -8.487  -4.700
  120    HD1  PHE  17           HD1      PHE  17   3.261  -8.778  -6.474
  121    HD2  PHE  17           HD2      PHE  17   2.641 -11.270  -3.072
  122    HE1  PHE  17           HE1      PHE  17   4.488 -10.578  -7.558
  123    HE2  PHE  17           HE2      PHE  17   3.861 -13.071  -4.154
  124    HZ   PHE  17           HZ       PHE  17   4.785 -12.720  -6.441
  125    H    SER  18           H        SER  18   5.124  -8.554  -3.346
  126    HA   SER  18           HA       SER  18   6.485  -6.904  -5.400
  127   1HB   SER  18          2HB       SER  18   7.509  -6.595  -3.246
  128   2HB   SER  18          1HB       SER  18   7.532  -8.338  -2.929
  129    HG   SER  18           HG       SER  18   9.132  -8.559  -4.189
  130    H    ASP  19           H        ASP  19   7.212  -7.765  -7.057
  131    HA   ASP  19           HA       ASP  19   6.610 -10.032  -8.368
  132   1HB   ASP  19          2HB       ASP  19   8.695  -9.611  -9.759
  133   2HB   ASP  19          1HB       ASP  19   7.674  -8.215  -9.518
  134    H    ASP  20           H        ASP  20   9.227 -10.006  -6.032
  135    HA   ASP  20           HA       ASP  20  10.641 -12.293  -6.965
  136   1HB   ASP  20          2HB       ASP  20  11.562 -12.467  -4.713
  137   2HB   ASP  20          1HB       ASP  20  11.396 -10.762  -5.098
  138    H    GLY  21           H        GLY  21   7.652 -12.056  -5.236
  139   1HA   GLY  21          2HA       GLY  21   6.101 -14.016  -5.596
  140   2HA   GLY  21          1HA       GLY  21   7.437 -15.037  -5.076
  141    H    THR  22           H        THR  22   6.639 -11.884  -3.694
  142    HA   THR  22           HA       THR  22   5.523 -13.197  -1.280
  143    HB   THR  22           HB       THR  22   7.972 -11.389  -1.334
  144    HG1  THR  22           HG1      THR  22   8.679 -13.328  -1.514
  145   1HG2  THR  22          2HG2      THR  22   6.238 -12.437   0.989
  146   2HG2  THR  22          1HG2      THR  22   7.934 -12.047   1.227
  147   3HG2  THR  22          3HG2      THR  22   6.807 -10.792   0.758
  148    H    PHE  23           H        PHE  23   4.088 -12.070  -0.201
  149    HA   PHE  23           HA       PHE  23   2.835  -9.781  -1.413
  150   1HB   PHE  23          2HB       PHE  23   1.453 -11.354  -0.352
  151   2HB   PHE  23          1HB       PHE  23   2.501 -11.496   1.024
  152    HD1  PHE  23           HD1      PHE  23   2.464  -9.676   2.806
  153    HD2  PHE  23           HD2      PHE  23  -0.282  -9.672  -0.453
  154    HE1  PHE  23           HE1      PHE  23   1.035  -8.082   4.008
  155    HE2  PHE  23           HE2      PHE  23  -1.704  -8.083   0.752
  156    HZ   PHE  23           HZ       PHE  23  -1.058  -7.277   2.982
  157    H    VAL  24           H        VAL  24   2.602  -7.714  -0.491
  158    HA   VAL  24           HA       VAL  24   4.840  -6.816   1.265
  159    HB   VAL  24           HB       VAL  24   3.430  -5.421  -1.064
  160   1HG1  VAL  24          1HG1      VAL  24   5.618  -4.398   0.787
  161   2HG1  VAL  24          3HG1      VAL  24   5.178  -3.641  -0.734
  162   3HG1  VAL  24          2HG1      VAL  24   4.012  -3.707   0.575
  163   1HG2  VAL  24          1HG2      VAL  24   5.190  -7.240  -1.566
  164   2HG2  VAL  24          3HG2      VAL  24   5.537  -5.658  -2.233
  165   3HG2  VAL  24          2HG2      VAL  24   6.363  -6.201  -0.783
  166    H    CYS  25           H        CYS  25   1.580  -5.806   0.240
  167    HA   CYS  25           HA       CYS  25   0.653  -5.577   2.992
  168   1HB   CYS  25          2HB       CYS  25   1.019  -3.480   3.413
  169   2HB   CYS  25          1HB       CYS  25   2.010  -3.381   1.992
  170    H    GLU  26           H        GLU  26  -1.555  -4.244   2.873
  171    HA   GLU  26           HA       GLU  26  -3.166  -5.577   0.761
  172   1HB   GLU  26          2HB       GLU  26  -3.562  -4.780   3.510
  173   2HB   GLU  26          1HB       GLU  26  -4.939  -4.338   2.547
  174   1HG   GLU  26          2HG       GLU  26  -5.590  -6.477   3.134
  175   2HG   GLU  26          1HG       GLU  26  -4.835  -6.779   1.584
  176    H    GLY  27           H        GLY  27  -4.430  -4.627  -0.694
  177   1HA   GLY  27          2HA       GLY  27  -4.034  -2.012  -1.664
  178   2HA   GLY  27          1HA       GLY  27  -5.460  -2.991  -1.977
  179    H    GLU  28           H        GLU  28  -4.404  -0.207  -0.473
  180    HA   GLU  28           HA       GLU  28  -6.916  -0.091   1.122
  181   1HB   GLU  28          2HB       GLU  28  -4.253   0.133   2.060
  182   2HB   GLU  28          1HB       GLU  28  -4.888   1.756   2.148
  183   1HG   GLU  28          2HG       GLU  28  -6.101  -0.740   3.411
  184   2HG   GLU  28          1HG       GLU  28  -5.352   0.603   4.251
  185    H    SER  29           H        SER  29  -5.078   1.801  -1.174
  186    HA   SER  29           HA       SER  29  -6.322   4.331  -0.592
  187   1HB   SER  29          2HB       SER  29  -5.671   4.561  -3.269
  188   2HB   SER  29          1HB       SER  29  -4.487   4.702  -1.981
  189    HG   SER  29           HG       SER  29  -5.242   2.349  -3.371
  190    H    ASP  30           H        ASP  30  -8.490   4.271  -0.407
  191    HA   ASP  30           HA       ASP  30 -10.139   3.202  -2.610
  192   1HB   ASP  30          2HB       ASP  30 -10.857   2.290  -0.533
  193   2HB   ASP  30          1HB       ASP  30 -10.618   3.785   0.325
  194    HA   PRO  31           HA       PRO  31 -10.195   7.269  -4.153
  195   1HB   PRO  31          2HB       PRO  31 -12.711   7.126  -5.523
  196   2HB   PRO  31          1HB       PRO  31 -11.104   6.855  -6.179
  197   1HG   PRO  31          2HG       PRO  31 -13.158   4.875  -5.483
  198   2HG   PRO  31          1HG       PRO  31 -11.687   4.643  -6.414
  199   1HD   PRO  31          2HD       PRO  31 -12.140   3.740  -3.755
  200   2HD   PRO  31          1HD       PRO  31 -10.581   3.777  -4.599
  201    NH1  ARG  32           NH1      ARG  32 -17.751   3.353  -2.947
  202    NH2  ARG  32           NH2      ARG  32 -15.796   2.223  -2.614
  203    H    ARG  32           H        ARG  32 -12.865   6.230  -2.249
  204    HA   ARG  32           HA       ARG  32 -14.059   8.899  -2.009
  205   1HB   ARG  32          2HB       ARG  32 -14.648   6.319  -0.470
  206   2HB   ARG  32          1HB       ARG  32 -15.574   7.793  -0.378
  207   1HG   ARG  32          2HG       ARG  32 -16.828   6.763  -2.008
  208   2HG   ARG  32          1HG       ARG  32 -15.656   7.522  -3.059
  209   1HD   ARG  32          2HD       ARG  32 -15.694   5.286  -3.824
  210   2HD   ARG  32          1HD       ARG  32 -14.289   5.261  -2.772
  211    HE   ARG  32           HE       ARG  32 -16.031   4.467  -0.979
  212   1HH1  ARG  32          2HH1      ARG  32 -18.279   4.197  -2.850
  213   2HH1  ARG  32          1HH1      ARG  32 -18.163   2.551  -3.378
  214   1HH2  ARG  32          1HH2      ARG  32 -14.863   2.242  -2.261
  215   2HH2  ARG  32          2HH2      ARG  32 -16.167   1.396  -3.036
  216    H    ASN  33           H        ASN  33 -12.085   6.750   0.020
  217    HA   ASN  33           HA       ASN  33 -12.051   8.594   2.252
  218   1HB   ASN  33          2HB       ASN  33 -10.760   6.987   3.365
  219   2HB   ASN  33          1HB       ASN  33 -11.447   5.959   2.128
  220   1HD2  ASN  33          2HD2      ASN  33  -7.456   6.886   2.015
  221   2HD2  ASN  33          1HD2      ASN  33  -8.520   7.837   2.934
  222    HA   PRO  34           HA       PRO  34  -8.754  11.169   0.611
  223   1HB   PRO  34          2HB       PRO  34  -7.893  12.338   3.001
  224   2HB   PRO  34          1HB       PRO  34  -9.278  12.865   2.059
  225   1HG   PRO  34          2HG       PRO  34  -9.247  11.336   4.614
  226   2HG   PRO  34          1HG       PRO  34 -10.521  12.348   3.945
  227   1HD   PRO  34          2HD       PRO  34 -10.447   9.477   3.898
  228   2HD   PRO  34          1HD       PRO  34 -11.583  10.523   3.026
  229    H    LYS  35           H        LYS  35  -7.623   9.130   0.091
  230    HA   LYS  35           HA       LYS  35  -5.687   8.014   1.949
  231   1HB   LYS  35          2HB       LYS  35  -4.937   6.722  -0.084
  232   2HB   LYS  35          1HB       LYS  35  -6.645   6.579   0.239
  233   1HG   LYS  35          2HG       LYS  35  -6.314   8.854  -1.527
  234   2HG   LYS  35          1HG       LYS  35  -5.318   7.559  -2.150
  235   1HD   LYS  35          2HD       LYS  35  -7.503   6.095  -1.731
  236   2HD   LYS  35          1HD       LYS  35  -8.305   7.649  -1.744
  237   1HE   LYS  35          2HE       LYS  35  -8.046   7.907  -4.006
  238   2HE   LYS  35          1HE       LYS  35  -6.415   7.266  -4.014
  239   1HZ   LYS  35          2HZ       LYS  35  -8.802   5.566  -3.666
  240   2HZ   LYS  35          1HZ       LYS  35  -8.104   5.898  -5.177
  241   3HZ   LYS  35          3HZ       LYS  35  -7.214   5.076  -3.985
  242    H    ALA  36           H        ALA  36  -4.651   9.954   2.556
  243    HA   ALA  36           HA       ALA  36  -3.083  11.506   0.649
  244   1HB   ALA  36          1HB       ALA  36  -4.061  12.539   2.682
  245   2HB   ALA  36          3HB       ALA  36  -3.067  11.505   3.695
  246   3HB   ALA  36          2HB       ALA  36  -2.314  12.720   2.672
  247    H    CYS  37           H        CYS  37  -1.113  11.116   0.010
  248    HA   CYS  37           HA       CYS  37   0.790   9.569   1.648
  249   1HB   CYS  37          2HB       CYS  37   0.364   8.828  -1.244
  250   2HB   CYS  37          1HB       CYS  37   1.275   7.960  -0.044
  251    HA   PRO  38           HA       PRO  38   3.632  12.374  -0.505
  252   1HB   PRO  38          2HB       PRO  38   5.908  10.675  -0.095
  253   2HB   PRO  38          1HB       PRO  38   5.468  12.106   0.823
  254   1HG   PRO  38          2HG       PRO  38   5.282   9.330   1.680
  255   2HG   PRO  38          1HG       PRO  38   4.944  10.778   2.612
  256   1HD   PRO  38          2HD       PRO  38   3.029   8.903   1.484
  257   2HD   PRO  38          1HD       PRO  38   2.693  10.340   2.468
  258    NH1  ARG  39           NH1      ARG  39   4.312   7.832  -7.632
  259    NH2  ARG  39           NH2      ARG  39   2.556   8.912  -8.606
  260    H    ARG  39           H        ARG  39   4.999  12.234  -2.435
  261    HA   ARG  39           HA       ARG  39   3.958  10.212  -4.300
  262   1HB   ARG  39          2HB       ARG  39   4.158  12.738  -4.798
  263   2HB   ARG  39          1HB       ARG  39   5.889  12.502  -4.893
  264   1HG   ARG  39          2HG       ARG  39   5.009  12.371  -7.152
  265   2HG   ARG  39          1HG       ARG  39   5.496  10.753  -6.706
  266   1HD   ARG  39          2HD       ARG  39   2.643  11.502  -6.098
  267   2HD   ARG  39          1HD       ARG  39   3.069  11.292  -7.788
  268    HE   ARG  39           HE       ARG  39   3.217   9.185  -5.688
  269   1HH1  ARG  39          2HH1      ARG  39   4.947   7.710  -6.869
  270   2HH1  ARG  39          1HH1      ARG  39   4.379   7.226  -8.425
  271   1HH2  ARG  39          1HH2      ARG  39   1.864   9.632  -8.567
  272   2HH2  ARG  39          2HH2      ARG  39   2.607   8.309  -9.402
  273    H    ASN  40           H        ASN  40   5.201   8.746  -2.765
  274    HA   ASN  40           HA       ASN  40   8.064   8.460  -3.172
  275   1HB   ASN  40          2HB       ASN  40   5.896   6.968  -1.687
  276   2HB   ASN  40          1HB       ASN  40   7.410   6.129  -1.971
  277   1HD2  ASN  40          2HD2      ASN  40   9.328   8.425   0.050
  278   2HD2  ASN  40          1HD2      ASN  40   9.442   7.524  -1.383
  279    H    CYS  41           H        CYS  41   8.700   6.066  -3.569
  280    HA   CYS  41           HA       CYS  41   7.404   4.847  -5.923
  281   1HB   CYS  41          2HB       CYS  41  10.272   5.897  -5.843
  282   2HB   CYS  41          1HB       CYS  41   9.693   4.777  -7.049
  283    H    ASP  42           H        ASP  42   7.330   2.712  -5.458
  284    HA   ASP  42           HA       ASP  42   9.334   1.583  -3.562
  285   1HB   ASP  42          2HB       ASP  42   6.795   1.754  -2.980
  286   2HB   ASP  42          1HB       ASP  42   6.596   0.404  -4.071
  287    HA   PRO  43           HA       PRO  43  10.369  -0.410  -7.611
  288   1HB   PRO  43          2HB       PRO  43  12.928  -1.061  -6.378
  289   2HB   PRO  43          1HB       PRO  43  12.595  -0.047  -7.773
  290   1HG   PRO  43          2HG       PRO  43  13.304   0.812  -5.118
  291   2HG   PRO  43          1HG       PRO  43  12.938   1.826  -6.506
  292   1HD   PRO  43          2HD       PRO  43  11.315   1.417  -4.161
  293   2HD   PRO  43          1HD       PRO  43  10.925   2.396  -5.590
  294    NH1  ARG  44           NH1      ARG  44   9.987  -1.407  -0.342
  295    NH2  ARG  44           NH2      ARG  44   9.375  -2.950   1.222
  296    H    ARG  44           H        ARG  44  10.666  -1.464  -4.322
  297    HA   ARG  44           HA       ARG  44  11.095  -4.248  -4.705
  298   1HB   ARG  44          2HB       ARG  44  10.681  -2.501  -2.527
  299   2HB   ARG  44          1HB       ARG  44   9.323  -3.599  -2.419
  300   1HG   ARG  44          2HG       ARG  44  11.055  -5.507  -2.640
  301   2HG   ARG  44          1HG       ARG  44  12.280  -4.278  -2.373
  302   1HD   ARG  44          2HD       ARG  44   9.990  -4.971  -0.466
  303   2HD   ARG  44          1HD       ARG  44  11.695  -5.318  -0.219
  304    HE   ARG  44           HE       ARG  44  12.112  -2.946   0.094
  305   1HH1  ARG  44          2HH1      ARG  44  10.619  -1.117  -1.060
  306   2HH1  ARG  44          1HH1      ARG  44   9.207  -0.830  -0.099
  307   1HH2  ARG  44          1HH2      ARG  44   9.548  -3.822   1.680
  308   2HH2  ARG  44          2HH2      ARG  44   8.588  -2.392   1.485
  309    H    ILE  45           H        ILE  45   8.149  -2.394  -4.260
  310    HA   ILE  45           HA       ILE  45   6.292  -4.527  -4.636
  311    HB   ILE  45           HB       ILE  45   6.213  -1.758  -3.988
  312   1HG1  ILE  45          2HG1      ILE  45   3.711  -3.417  -4.429
  313   2HG1  ILE  45          1HG1      ILE  45   4.812  -3.724  -3.102
  314   1HG2  ILE  45          2HG2      ILE  45   5.888  -1.177  -6.400
  315   2HG2  ILE  45          1HG2      ILE  45   4.415  -2.135  -6.412
  316   3HG2  ILE  45          3HG2      ILE  45   4.533  -0.709  -5.397
  317   1HD1  ILE  45          2HD1      ILE  45   4.551  -1.100  -2.661
  318   2HD1  ILE  45          1HD1      ILE  45   3.057  -1.320  -3.555
  319   3HD1  ILE  45          3HD1      ILE  45   3.340  -2.220  -2.075
  320    H    ALA  46           H        ALA  46   5.129  -5.127  -6.459
  321    HA   ALA  46           HA       ALA  46   6.299  -4.335  -9.095
  322   1HB   ALA  46          1HB       ALA  46   5.159  -7.014  -8.192
  323   2HB   ALA  46          3HB       ALA  46   5.745  -6.657  -9.813
  324   3HB   ALA  46          2HB       ALA  46   6.851  -6.630  -8.452
  325    OH   TYR  47           OH       TYR  47   3.400 -10.770  -9.711
  326    H    TYR  47           H        TYR  47   3.480  -5.420  -7.324
  327    HA   TYR  47           HA       TYR  47   1.674  -3.591  -8.604
  328   1HB   TYR  47          2HB       TYR  47   0.275  -5.496  -9.781
  329   2HB   TYR  47          1HB       TYR  47   1.717  -4.947 -10.591
  330    HD1  TYR  47           HD1      TYR  47   0.490  -7.622  -8.265
  331    HD2  TYR  47           HD2      TYR  47   3.436  -6.479 -11.126
  332    HE1  TYR  47           HE1      TYR  47   1.378  -9.904  -8.275
  333    HE2  TYR  47           HE2      TYR  47   4.317  -8.759 -11.128
  334    HH   TYR  47           HH       TYR  47   4.358 -10.718  -9.670
  335    H    GLY  48           H        GLY  48  -0.704  -4.863  -8.316
  336   1HA   GLY  48          2HA       GLY  48  -0.754  -5.783  -5.463
  337   2HA   GLY  48          1HA       GLY  48  -1.910  -4.614  -6.099
  338    H    ILE  49           H        ILE  49  -1.542  -7.765  -5.345
  339    HA   ILE  49           HA       ILE  49  -2.972  -8.980  -7.588
  340    HB   ILE  49           HB       ILE  49  -2.229 -10.152  -4.864
  341   1HG1  ILE  49          2HG1      ILE  49  -0.751 -10.610  -7.506
  342   2HG1  ILE  49          1HG1      ILE  49  -0.239  -9.372  -6.380
  343   1HG2  ILE  49          3HG2      ILE  49  -3.073 -11.498  -7.480
  344   2HG2  ILE  49          2HG2      ILE  49  -2.575 -12.352  -6.031
  345   3HG2  ILE  49          1HG2      ILE  49  -4.047 -11.412  -6.025
  346   1HD1  ILE  49          1HD1      ILE  49  -0.460 -12.323  -5.701
  347   2HD1  ILE  49          3HD1      ILE  49   1.017 -11.443  -6.029
  348   3HD1  ILE  49          2HD1      ILE  49   0.061 -11.051  -4.607
  349    H    CYS  50           H        CYS  50  -5.000  -8.049  -7.699
  350    HA   CYS  50           HA       CYS  50  -6.753  -7.910  -5.349
  351   1HB   CYS  50          2HB       CYS  50  -6.982  -7.144  -8.233
  352   2HB   CYS  50          1HB       CYS  50  -8.462  -7.476  -7.397
  353    HA   PRO  51           HA       PRO  51  -8.410 -12.003  -5.946
  354   1HB   PRO  51          2HB       PRO  51 -10.933 -11.588  -4.728
  355   2HB   PRO  51          1HB       PRO  51  -9.453 -12.079  -3.922
  356   1HG   PRO  51          2HG       PRO  51 -10.782  -9.441  -3.883
  357   2HG   PRO  51          1HG       PRO  51  -9.562 -10.078  -2.789
  358   1HD   PRO  51          2HD       PRO  51  -9.140  -8.150  -4.870
  359   2HD   PRO  51          1HD       PRO  51  -7.895  -8.954  -3.894
  360    H    LEU  52           H        LEU  52  -8.485 -11.814  -8.179
  361    HA   LEU  52           HA       LEU  52 -11.183 -11.830  -9.350
  362   1HB   LEU  52          2HB       LEU  52  -9.079  -9.738  -9.933
  363   2HB   LEU  52          1HB       LEU  52  -9.997 -10.339 -11.289
  364    HG   LEU  52           HG       LEU  52 -11.994  -9.820  -9.341
  365   1HD1  LEU  52          3HD1      LEU  52  -9.962  -7.546  -9.378
  366   2HD1  LEU  52          2HD1      LEU  52 -11.548  -7.494  -8.626
  367   3HD1  LEU  52          1HD1      LEU  52 -10.313  -8.563  -7.991
  368   1HD2  LEU  52          1HD2      LEU  52 -11.041  -8.060 -11.638
  369   2HD2  LEU  52          3HD2      LEU  52 -12.182  -9.389 -11.770
  370   3HD2  LEU  52          2HD2      LEU  52 -12.611  -7.955 -10.856
  371    H    ALA  53           H        ALA  53  -7.723 -11.962  -9.911
  372    HA   ALA  53           HA       ALA  53  -7.921 -14.596 -11.171
  373   1HB   ALA  53          3HB       ALA  53  -6.922 -12.186 -12.755
  374   2HB   ALA  53          2HB       ALA  53  -6.806 -13.856 -13.291
  375   3HB   ALA  53          1HB       ALA  53  -8.380 -13.104 -13.096
   
  Start of MODEL          12
 Raw file had  375 H/Q atoms
  Start of MODEL   12
    1   1H    ASP   1          3H        ASP   1   8.483   8.431 -14.127
    2   2H    ASP   1          2H        ASP   1   8.529   9.647 -12.944
    3   3H    ASP   1          1H        ASP   1   8.535  10.064 -14.590
    4    HA   ASP   1           HA       ASP   1  10.710   9.786 -14.803
    5   1HB   ASP   1          2HB       ASP   1  10.634   9.533 -11.753
    6   2HB   ASP   1          1HB       ASP   1  11.996  10.092 -12.710
    7    NH1  ARG   2           NH1      ARG   2  11.365   2.867 -14.318
    8    NH2  ARG   2           NH2      ARG   2  12.344   1.359 -12.911
    9    H    ARG   2           H        ARG   2   9.707   7.582 -12.256
   10    HA   ARG   2           HA       ARG   2  10.799   5.251 -13.679
   11   1HB   ARG   2          2HB       ARG   2  12.053   6.495 -11.256
   12   2HB   ARG   2          1HB       ARG   2  11.855   4.767 -11.149
   13   1HG   ARG   2          2HG       ARG   2  12.960   5.541 -13.779
   14   2HG   ARG   2          1HG       ARG   2  13.923   6.186 -12.473
   15   1HD   ARG   2          2HD       ARG   2  14.929   4.132 -12.483
   16   2HD   ARG   2          1HD       ARG   2  13.529   3.575 -11.585
   17    HE   ARG   2           HE       ARG   2  14.092   3.082 -14.430
   18   1HH1  ARG   2          2HH1      ARG   2  11.435   3.708 -14.855
   19   2HH1  ARG   2          1HH1      ARG   2  10.511   2.346 -14.312
   20   1HH2  ARG   2          1HH2      ARG   2  13.148   1.068 -12.393
   21   2HH2  ARG   2          2HH2      ARG   2  11.506   0.815 -12.880
   22    H    ILE   3           H        ILE   3  10.494   3.275 -12.076
   23    HA   ILE   3           HA       ILE   3   7.720   2.898 -11.755
   24    HB   ILE   3           HB       ILE   3   9.293   1.013 -11.980
   25   1HG1  ILE   3          2HG1      ILE   3   8.491  -0.488 -10.157
   26   2HG1  ILE   3          1HG1      ILE   3   7.911   0.895  -9.253
   27   1HG2  ILE   3          1HG2      ILE   3  11.155   2.125 -10.586
   28   2HG2  ILE   3          3HG2      ILE   3  10.319   1.528  -9.166
   29   3HG2  ILE   3          2HG2      ILE   3  10.940   0.402 -10.356
   30   1HD1  ILE   3          1HD1      ILE   3   6.956   0.462 -12.098
   31   2HD1  ILE   3          3HD1      ILE   3   6.232  -0.442 -10.780
   32   3HD1  ILE   3          2HD1      ILE   3   6.156   1.312 -10.784
   33    H    CYS   4           H        CYS   4   6.369   3.754 -10.344
   34    HA   CYS   4           HA       CYS   4   7.321   4.429  -7.608
   35   1HB   CYS   4          2HB       CYS   4   5.954   6.043  -9.687
   36   2HB   CYS   4          1HB       CYS   4   5.393   6.294  -8.062
   37    H    THR   5           H        THR   5   6.264   2.013  -8.004
   38    HA   THR   5           HA       THR   5   3.408   2.078  -7.203
   39    HB   THR   5           HB       THR   5   4.067  -0.573  -6.937
   40    HG1  THR   5           HG1      THR   5   6.271  -0.080  -7.407
   41   1HG2  THR   5          1HG2      THR   5   3.709   0.889  -9.591
   42   2HG2  THR   5          3HG2      THR   5   3.462  -0.842  -9.341
   43   3HG2  THR   5          2HG2      THR   5   2.412   0.322  -8.548
   44    H    ASN   6           H        ASN   6   2.751   1.640  -5.180
   45    HA   ASN   6           HA       ASN   6   4.601   0.693  -3.099
   46   1HB   ASN   6          2HB       ASN   6   4.487   2.750  -1.711
   47   2HB   ASN   6          1HB       ASN   6   5.292   3.052  -3.235
   48   1HD2  ASN   6          2HD2      ASN   6   2.162   5.250  -2.292
   49   2HD2  ASN   6          1HD2      ASN   6   3.025   4.280  -1.200
   50    H    CYS   7           H        CYS   7   3.585   0.548  -0.995
   51    HA   CYS   7           HA       CYS   7   1.015  -0.636  -1.065
   52   1HB   CYS   7          2HB       CYS   7   2.564  -1.313   0.592
   53   2HB   CYS   7          1HB       CYS   7   2.796   0.315   1.156
   54    H    CYS   8           H        CYS   8   1.824   2.641  -0.820
   55    HA   CYS   8           HA       CYS   8  -0.708   3.401   0.482
   56   1HB   CYS   8          2HB       CYS   8   1.718   4.370   0.724
   57   2HB   CYS   8          1HB       CYS   8   1.252   5.317  -0.645
   58    H    ALA   9           H        ALA   9   0.846   3.873  -2.657
   59    HA   ALA   9           HA       ALA   9  -1.524   5.236  -3.745
   60   1HB   ALA   9          2HB       ALA   9   1.039   5.714  -4.187
   61   2HB   ALA   9          1HB       ALA   9   0.837   4.522  -5.449
   62   3HB   ALA   9          3HB       ALA   9  -0.154   5.971  -5.446
   63    H    GLY  10           H        GLY  10  -2.245   2.550  -3.192
   64   1HA   GLY  10          2HA       GLY  10  -2.324   1.260  -5.883
   65   2HA   GLY  10          1HA       GLY  10  -2.684   0.463  -4.383
   66    H    THR  11           H        THR  11  -4.640  -0.037  -4.077
   67    HA   THR  11           HA       THR  11  -6.913   1.708  -4.613
   68    HB   THR  11           HB       THR  11  -6.789  -0.946  -6.171
   69    HG1  THR  11           HG1      THR  11  -5.549   0.295  -7.344
   70   1HG2  THR  11          3HG2      THR  11  -9.103   0.197  -5.514
   71   2HG2  THR  11          2HG2      THR  11  -8.603   1.476  -6.611
   72   3HG2  THR  11          1HG2      THR  11  -8.825  -0.160  -7.209
   73    H    LYS  12           H        LYS  12  -8.282   1.297  -2.949
   74    HA   LYS  12           HA       LYS  12  -7.822  -0.627  -0.966
   75   1HB   LYS  12          2HB       LYS  12  -9.251   1.304  -0.570
   76   2HB   LYS  12          1HB       LYS  12 -10.351   0.811  -1.839
   77   1HG   LYS  12          2HG       LYS  12 -11.347   0.336   0.328
   78   2HG   LYS  12          1HG       LYS  12 -11.043  -1.169  -0.497
   79   1HD   LYS  12          2HD       LYS  12  -8.676  -0.512   1.062
   80   2HD   LYS  12          1HD       LYS  12 -10.076  -0.275   2.083
   81   1HE   LYS  12          2HE       LYS  12 -10.818  -2.543   1.779
   82   2HE   LYS  12          1HE       LYS  12  -9.695  -2.809   0.448
   83   1HZ   LYS  12          2HZ       LYS  12  -7.883  -2.488   1.974
   84   2HZ   LYS  12          1HZ       LYS  12  -8.965  -2.331   3.277
   85   3HZ   LYS  12          3HZ       LYS  12  -8.854  -3.803   2.431
   86    H    GLY  13           H        GLY  13  -7.587  -2.703  -1.492
   87   1HA   GLY  13          2HA       GLY  13  -9.141  -4.748  -1.598
   88   2HA   GLY  13          1HA       GLY  13  -9.644  -4.102  -3.150
   89    H    CYS  14           H        CYS  14  -6.757  -3.236  -3.663
   90    HA   CYS  14           HA       CYS  14  -5.902  -5.804  -4.831
   91   1HB   CYS  14          2HB       CYS  14  -4.837  -2.988  -5.077
   92   2HB   CYS  14          1HB       CYS  14  -4.145  -4.359  -5.900
   93    H    LYS  15           H        LYS  15  -4.514  -7.092  -3.873
   94    HA   LYS  15           HA       LYS  15  -3.144  -6.328  -1.432
   95   1HB   LYS  15          2HB       LYS  15  -2.795  -8.884  -3.055
   96   2HB   LYS  15          1HB       LYS  15  -2.435  -8.674  -1.359
   97   1HG   LYS  15          2HG       LYS  15  -5.233  -8.414  -2.556
   98   2HG   LYS  15          1HG       LYS  15  -4.599  -9.886  -1.859
   99   1HD   LYS  15          2HD       LYS  15  -4.727  -9.127   0.314
  100   2HD   LYS  15          1HD       LYS  15  -4.410  -7.461  -0.112
  101   1HE   LYS  15          2HE       LYS  15  -6.783  -7.901   0.673
  102   2HE   LYS  15          1HE       LYS  15  -6.680  -7.135  -0.906
  103   1HZ   LYS  15          3HZ       LYS  15  -6.923  -9.316  -1.919
  104   2HZ   LYS  15          2HZ       LYS  15  -7.093 -10.021  -0.383
  105   3HZ   LYS  15          1HZ       LYS  15  -8.259  -8.919  -0.944
  106    OH   TYR  16           OH       TYR  16  -2.633   0.706  -2.031
  107    H    TYR  16           H        TYR  16  -1.543  -4.849  -1.761
  108    HA   TYR  16           HA       TYR  16   0.254  -4.694  -3.941
  109   1HB   TYR  16          2HB       TYR  16   0.953  -4.083  -1.046
  110   2HB   TYR  16          1HB       TYR  16   1.791  -3.481  -2.460
  111    HD1  TYR  16           HD2      TYR  16   0.752  -1.717  -3.875
  112    HD2  TYR  16           HD1      TYR  16  -1.160  -3.186  -0.376
  113    HE1  TYR  16           HE2      TYR  16  -0.721   0.229  -3.853
  114    HE2  TYR  16           HE1      TYR  16  -2.620  -1.219  -0.363
  115    HH   TYR  16           HH       TYR  16  -2.096   1.501  -2.014
  116    H    PHE  17           H        PHE  17   1.868  -5.992  -4.556
  117    HA   PHE  17           HA       PHE  17   3.246  -7.678  -2.574
  118   1HB   PHE  17          2HB       PHE  17   1.624  -9.184  -3.106
  119   2HB   PHE  17          1HB       PHE  17   1.296  -8.511  -4.683
  120    HD1  PHE  17           HD1      PHE  17   3.227  -8.863  -6.462
  121    HD2  PHE  17           HD2      PHE  17   2.652 -11.250  -2.984
  122    HE1  PHE  17           HE1      PHE  17   4.447 -10.687  -7.509
  123    HE2  PHE  17           HE2      PHE  17   3.867 -13.077  -4.015
  124    HZ   PHE  17           HZ       PHE  17   4.784 -12.799  -6.321
  125    H    SER  18           H        SER  18   5.120  -8.607  -3.307
  126    HA   SER  18           HA       SER  18   6.553  -7.014  -5.349
  127   1HB   SER  18          2HB       SER  18   7.560  -6.886  -3.128
  128   2HB   SER  18          1HB       SER  18   7.634  -8.651  -3.017
  129    HG   SER  18           HG       SER  18   9.020  -6.877  -4.634
  130    H    ASP  19           H        ASP  19   7.293  -7.904  -7.053
  131    HA   ASP  19           HA       ASP  19   6.576 -10.248  -8.273
  132   1HB   ASP  19          2HB       ASP  19   8.570  -9.905  -9.769
  133   2HB   ASP  19          1HB       ASP  19   7.650  -8.441  -9.513
  134    H    ASP  20           H        ASP  20   9.100  -9.977  -5.909
  135    HA   ASP  20           HA       ASP  20  10.672 -12.236  -6.560
  136   1HB   ASP  20          2HB       ASP  20  11.185 -12.209  -4.013
  137   2HB   ASP  20          1HB       ASP  20  11.518 -10.754  -4.932
  138    H    GLY  21           H        GLY  21   7.509 -12.084  -5.281
  139   1HA   GLY  21          2HA       GLY  21   6.067 -14.067  -5.417
  140   2HA   GLY  21          1HA       GLY  21   7.435 -15.051  -4.908
  141    H    THR  22           H        THR  22   6.638 -11.900  -3.557
  142    HA   THR  22           HA       THR  22   5.600 -13.178  -1.087
  143    HB   THR  22           HB       THR  22   7.848 -11.131  -1.174
  144    HG1  THR  22           HG1      THR  22   7.666 -13.931  -0.890
  145   1HG2  THR  22          3HG2      THR  22   6.667 -12.840   1.110
  146   2HG2  THR  22          2HG2      THR  22   8.099 -11.834   1.266
  147   3HG2  THR  22          1HG2      THR  22   6.533 -11.091   1.006
  148    H    PHE  23           H        PHE  23   4.036 -12.122  -0.112
  149    HA   PHE  23           HA       PHE  23   2.764  -9.849  -1.357
  150   1HB   PHE  23          2HB       PHE  23   1.384 -11.465  -0.327
  151   2HB   PHE  23          1HB       PHE  23   2.389 -11.563   1.085
  152    HD1  PHE  23           HD1      PHE  23   2.257  -9.735   2.842
  153    HD2  PHE  23           HD2      PHE  23  -0.381  -9.790  -0.507
  154    HE1  PHE  23           HE1      PHE  23   0.769  -8.155   3.983
  155    HE2  PHE  23           HE2      PHE  23  -1.861  -8.210   0.645
  156    HZ   PHE  23           HZ       PHE  23  -1.296  -7.385   2.883
  157    H    VAL  24           H        VAL  24   2.618  -7.739  -0.517
  158    HA   VAL  24           HA       VAL  24   4.799  -6.966   1.365
  159    HB   VAL  24           HB       VAL  24   3.495  -5.376  -0.902
  160   1HG1  VAL  24          2HG1      VAL  24   5.635  -4.727   1.126
  161   2HG1  VAL  24          1HG1      VAL  24   5.723  -4.024  -0.476
  162   3HG1  VAL  24          3HG1      VAL  24   4.318  -3.716   0.532
  163   1HG2  VAL  24          2HG2      VAL  24   5.175  -7.448  -1.376
  164   2HG2  VAL  24          1HG2      VAL  24   5.289  -5.957  -2.280
  165   3HG2  VAL  24          3HG2      VAL  24   6.383  -6.260  -0.944
  166    H    CYS  25           H        CYS  25   1.553  -6.039   0.318
  167    HA   CYS  25           HA       CYS  25   0.537  -5.730   3.000
  168   1HB   CYS  25          2HB       CYS  25   0.805  -3.608   3.440
  169   2HB   CYS  25          1HB       CYS  25   1.967  -3.537   2.149
  170    H    GLU  26           H        GLU  26  -1.688  -4.606   2.878
  171    HA   GLU  26           HA       GLU  26  -3.159  -5.720   0.557
  172   1HB   GLU  26          2HB       GLU  26  -3.823  -4.914   3.337
  173   2HB   GLU  26          1HB       GLU  26  -5.125  -5.064   2.186
  174   1HG   GLU  26          2HG       GLU  26  -5.079  -7.348   2.239
  175   2HG   GLU  26          1HG       GLU  26  -3.335  -7.425   2.129
  176    H    GLY  27           H        GLY  27  -4.756  -4.547  -0.561
  177   1HA   GLY  27          2HA       GLY  27  -4.228  -1.970  -1.491
  178   2HA   GLY  27          1HA       GLY  27  -5.828  -2.690  -1.490
  179    H    GLU  28           H        GLU  28  -4.126  -0.090  -0.324
  180    HA   GLU  28           HA       GLU  28  -6.145   0.332   1.799
  181   1HB   GLU  28          2HB       GLU  28  -3.128   0.580   1.980
  182   2HB   GLU  28          1HB       GLU  28  -4.127   1.486   3.093
  183   1HG   GLU  28          2HG       GLU  28  -4.799  -0.343   4.293
  184   2HG   GLU  28          1HG       GLU  28  -4.817  -1.415   2.910
  185    H    SER  29           H        SER  29  -6.331   1.470  -0.734
  186    HA   SER  29           HA       SER  29  -6.678   4.285   0.024
  187   1HB   SER  29          2HB       SER  29  -4.271   4.310  -0.578
  188   2HB   SER  29          1HB       SER  29  -4.641   3.626  -2.168
  189    HG   SER  29           HG       SER  29  -6.129   5.857  -1.341
  190    H    ASP  30           H        ASP  30  -8.799   3.968  -0.505
  191    HA   ASP  30           HA       ASP  30  -9.600   2.866  -3.081
  192   1HB   ASP  30          2HB       ASP  30 -11.052   2.716  -0.980
  193   2HB   ASP  30          1HB       ASP  30 -11.321   4.439  -1.104
  194    HA   PRO  31           HA       PRO  31  -9.059   6.819  -5.151
  195   1HB   PRO  31          2HB       PRO  31 -10.834   6.195  -7.326
  196   2HB   PRO  31          1HB       PRO  31  -9.086   6.050  -7.293
  197   1HG   PRO  31          2HG       PRO  31 -11.081   3.912  -7.155
  198   2HG   PRO  31          1HG       PRO  31  -9.344   3.773  -7.387
  199   1HD   PRO  31          2HD       PRO  31 -10.818   3.162  -5.004
  200   2HD   PRO  31          1HD       PRO  31  -9.054   3.175  -5.182
  201    NH1  ARG  32           NH1      ARG  32 -15.262  11.267  -5.077
  202    NH2  ARG  32           NH2      ARG  32 -17.059  11.393  -3.673
  203    H    ARG  32           H        ARG  32 -10.057   7.863  -3.510
  204    HA   ARG  32           HA       ARG  32 -12.293   9.485  -4.033
  205   1HB   ARG  32          2HB       ARG  32 -12.878   6.906  -2.591
  206   2HB   ARG  32          1HB       ARG  32 -13.529   8.329  -1.820
  207   1HG   ARG  32          2HG       ARG  32 -14.077   8.422  -4.709
  208   2HG   ARG  32          1HG       ARG  32 -14.636   6.911  -4.026
  209   1HD   ARG  32          2HD       ARG  32 -16.453   8.488  -3.832
  210   2HD   ARG  32          1HD       ARG  32 -15.807   8.301  -2.207
  211    HE   ARG  32           HE       ARG  32 -14.644  10.457  -2.490
  212   1HH1  ARG  32          2HH1      ARG  32 -14.354  10.894  -5.275
  213   2HH1  ARG  32          1HH1      ARG  32 -15.696  11.895  -5.722
  214   1HH2  ARG  32          1HH2      ARG  32 -17.499  11.115  -2.819
  215   2HH2  ARG  32          2HH2      ARG  32 -17.526  12.021  -4.294
  216    H    ASN  33           H        ASN  33 -10.283   7.845  -1.687
  217    HA   ASN  33           HA       ASN  33 -10.361  10.105   0.200
  218   1HB   ASN  33          2HB       ASN  33  -8.615   8.576   1.446
  219   2HB   ASN  33          1HB       ASN  33 -10.300   8.106   1.423
  220   1HD2  ASN  33          2HD2      ASN  33  -9.687   5.069  -0.167
  221   2HD2  ASN  33          1HD2      ASN  33 -10.771   6.080   0.658
  222    HA   PRO  34           HA       PRO  34  -6.370  11.547  -1.445
  223   1HB   PRO  34          2HB       PRO  34  -6.027  13.623   0.394
  224   2HB   PRO  34          1HB       PRO  34  -6.932  13.756  -1.103
  225   1HG   PRO  34          2HG       PRO  34  -7.966  13.547   1.679
  226   2HG   PRO  34          1HG       PRO  34  -8.746  14.227   0.258
  227   1HD   PRO  34          2HD       PRO  34  -9.260  11.646   1.409
  228   2HD   PRO  34          1HD       PRO  34  -9.876  12.250  -0.140
  229    H    LYS  35           H        LYS  35  -5.946   9.268  -0.423
  230    HA   LYS  35           HA       LYS  35  -5.047   8.908   2.188
  231   1HB   LYS  35          2HB       LYS  35  -5.339   7.290   0.041
  232   2HB   LYS  35          1HB       LYS  35  -3.605   7.504  -0.071
  233   1HG   LYS  35          2HG       LYS  35  -3.886   5.585   1.303
  234   2HG   LYS  35          1HG       LYS  35  -3.513   6.873   2.427
  235   1HD   LYS  35          2HD       LYS  35  -6.245   7.104   2.414
  236   2HD   LYS  35          1HD       LYS  35  -6.115   5.419   1.967
  237   1HE   LYS  35          2HE       LYS  35  -4.945   6.721   4.461
  238   2HE   LYS  35          1HE       LYS  35  -6.252   5.544   4.393
  239   1HZ   LYS  35          3HZ       LYS  35  -4.495   4.146   3.168
  240   2HZ   LYS  35          2HZ       LYS  35  -3.386   5.155   3.965
  241   3HZ   LYS  35          1HZ       LYS  35  -4.483   4.219   4.868
  242    H    ALA  36           H        ALA  36  -3.379   9.561   3.308
  243    HA   ALA  36           HA       ALA  36  -1.368  11.337   2.151
  244   1HB   ALA  36          2HB       ALA  36  -2.360  11.699   4.424
  245   2HB   ALA  36          1HB       ALA  36  -1.594  10.219   4.978
  246   3HB   ALA  36          3HB       ALA  36  -0.608  11.587   4.485
  247    H    CYS  37           H        CYS  37   0.672  10.872   1.667
  248    HA   CYS  37           HA       CYS  37   1.881   8.305   2.493
  249   1HB   CYS  37          2HB       CYS  37   1.750   9.180  -0.386
  250   2HB   CYS  37          1HB       CYS  37   2.382   7.667   0.196
  251    HA   PRO  38           HA       PRO  38   5.553  10.684   2.753
  252   1HB   PRO  38          2HB       PRO  38   7.473   8.728   2.033
  253   2HB   PRO  38          1HB       PRO  38   6.861   9.059   3.644
  254   1HG   PRO  38          2HG       PRO  38   6.246   6.787   1.882
  255   2HG   PRO  38          1HG       PRO  38   5.903   6.968   3.596
  256   1HD   PRO  38          2HD       PRO  38   4.031   7.171   1.428
  257   2HD   PRO  38          1HD       PRO  38   3.713   7.488   3.144
  258    NH1  ARG  39           NH1      ARG  39  11.912   9.799   0.438
  259    NH2  ARG  39           NH2      ARG  39  12.616   7.927  -0.665
  260    H    ARG  39           H        ARG  39   5.528   8.638  -0.117
  261    HA   ARG  39           HA       ARG  39   6.034  10.929  -1.847
  262   1HB   ARG  39          2HB       ARG  39   8.159  10.026  -2.810
  263   2HB   ARG  39          1HB       ARG  39   8.334  10.393  -1.109
  264   1HG   ARG  39          2HG       ARG  39   7.428   7.670  -1.196
  265   2HG   ARG  39          1HG       ARG  39   8.601   7.809  -2.486
  266   1HD   ARG  39          2HD       ARG  39   9.124   8.717   0.378
  267   2HD   ARG  39          1HD       ARG  39   9.627   7.162  -0.282
  268    HE   ARG  39           HE       ARG  39  10.566   9.235  -2.009
  269   1HH1  ARG  39          2HH1      ARG  39  11.206  10.492   0.583
  270   2HH1  ARG  39          1HH1      ARG  39  12.762   9.831   0.965
  271   1HH2  ARG  39          1HH2      ARG  39  12.437   7.217  -1.347
  272   2HH2  ARG  39          2HH2      ARG  39  13.476   7.928  -0.156
  273    H    ASN  40           H        ASN  40   4.690   8.020  -1.381
  274    HA   ASN  40           HA       ASN  40   3.602   6.493  -2.696
  275   1HB   ASN  40          2HB       ASN  40   3.302   9.110  -4.212
  276   2HB   ASN  40          1HB       ASN  40   2.596   7.650  -4.886
  277   1HD2  ASN  40          2HD2      ASN  40   0.439   9.516  -2.225
  278   2HD2  ASN  40          1HD2      ASN  40   1.581  10.208  -3.274
  279    H    CYS  41           H        CYS  41   6.238   6.033  -2.925
  280    HA   CYS  41           HA       CYS  41   6.433   4.889  -5.624
  281   1HB   CYS  41          2HB       CYS  41   8.465   6.895  -4.579
  282   2HB   CYS  41          1HB       CYS  41   8.721   5.880  -5.979
  283    H    ASP  42           H        ASP  42   7.365   2.960  -5.610
  284    HA   ASP  42           HA       ASP  42   9.481   2.263  -3.727
  285   1HB   ASP  42          2HB       ASP  42   7.037   1.855  -2.614
  286   2HB   ASP  42          1HB       ASP  42   7.124   0.386  -3.550
  287    HA   PRO  43           HA       PRO  43  10.044  -0.058  -7.623
  288   1HB   PRO  43          2HB       PRO  43  12.804  -0.481  -6.847
  289   2HB   PRO  43          1HB       PRO  43  12.180   0.514  -8.151
  290   1HG   PRO  43          2HG       PRO  43  13.307   1.419  -5.668
  291   2HG   PRO  43          1HG       PRO  43  12.605   2.413  -6.936
  292   1HD   PRO  43          2HD       PRO  43  11.474   1.747  -4.327
  293   2HD   PRO  43          1HD       PRO  43  10.842   2.884  -5.532
  294    NH1  ARG  44           NH2      ARG  44  10.984  -0.890  -0.104
  295    NH2  ARG  44           NH1      ARG  44   9.063  -1.980   0.464
  296    H    ARG  44           H        ARG  44  10.489  -0.891  -4.319
  297    HA   ARG  44           HA       ARG  44  11.291  -3.619  -4.625
  298   1HB   ARG  44          2HB       ARG  44  11.231  -2.081  -2.502
  299   2HB   ARG  44          1HB       ARG  44   9.565  -2.610  -2.353
  300   1HG   ARG  44          2HG       ARG  44  10.695  -5.043  -2.634
  301   2HG   ARG  44          1HG       ARG  44  12.115  -4.191  -2.055
  302   1HD   ARG  44          2HD       ARG  44   9.411  -4.290  -0.626
  303   2HD   ARG  44          1HD       ARG  44  10.848  -5.191  -0.168
  304    HE   ARG  44           HE       ARG  44  11.815  -3.207   0.692
  305   1HH1  ARG  44          1HH2      ARG  44  11.960  -0.928  -0.317
  306   2HH1  ARG  44          2HH2      ARG  44  10.503  -0.013  -0.106
  307   1HH2  ARG  44          2HH1      ARG  44   8.593  -2.835   0.681
  308   2HH2  ARG  44          1HH1      ARG  44   8.561  -1.116   0.466
  309    H    ILE  45           H        ILE  45   8.160  -1.998  -4.698
  310    HA   ILE  45           HA       ILE  45   6.707  -4.561  -4.716
  311    HB   ILE  45           HB       ILE  45   5.937  -1.612  -4.788
  312   1HG1  ILE  45          2HG1      ILE  45   4.236  -3.053  -3.083
  313   2HG1  ILE  45          1HG1      ILE  45   5.706  -3.982  -2.994
  314   1HG2  ILE  45          2HG2      ILE  45   3.978  -3.870  -5.440
  315   2HG2  ILE  45          1HG2      ILE  45   3.548  -2.194  -5.151
  316   3HG2  ILE  45          3HG2      ILE  45   4.485  -2.623  -6.566
  317   1HD1  ILE  45          1HD1      ILE  45   5.775  -0.968  -2.644
  318   2HD1  ILE  45          3HD1      ILE  45   5.439  -2.027  -1.297
  319   3HD1  ILE  45          2HD1      ILE  45   6.976  -2.147  -2.141
  320    H    ALA  46           H        ALA  46   5.391  -5.180  -6.413
  321    HA   ALA  46           HA       ALA  46   6.490  -4.484  -9.112
  322   1HB   ALA  46          2HB       ALA  46   6.981  -6.761  -8.363
  323   2HB   ALA  46          1HB       ALA  46   5.272  -7.100  -8.142
  324   3HB   ALA  46          3HB       ALA  46   5.918  -6.796  -9.753
  325    OH   TYR  47           OH       TYR  47   4.309 -10.507 -10.130
  326    H    TYR  47           H        TYR  47   3.601  -5.514  -7.381
  327    HA   TYR  47           HA       TYR  47   1.878  -3.655  -8.738
  328   1HB   TYR  47          2HB       TYR  47   0.504  -5.704  -9.883
  329   2HB   TYR  47          1HB       TYR  47   1.822  -4.928 -10.727
  330    HD1  TYR  47           HD1      TYR  47   1.164  -7.772  -8.371
  331    HD2  TYR  47           HD2      TYR  47   3.612  -6.257 -11.510
  332    HE1  TYR  47           HE1      TYR  47   2.344  -9.913  -8.495
  333    HE2  TYR  47           HE2      TYR  47   4.789  -8.399 -11.624
  334    HH   TYR  47           HH       TYR  47   4.513 -10.685 -11.050
  335    H    GLY  48           H        GLY  48  -0.548  -4.714  -8.509
  336   1HA   GLY  48          2HA       GLY  48  -0.734  -5.670  -5.673
  337   2HA   GLY  48          1HA       GLY  48  -1.836  -4.484  -6.364
  338    H    ILE  49           H        ILE  49  -1.508  -7.668  -5.605
  339    HA   ILE  49           HA       ILE  49  -2.954  -8.858  -7.850
  340    HB   ILE  49           HB       ILE  49  -2.356  -9.950  -5.052
  341   1HG1  ILE  49          2HG1      ILE  49  -0.226  -9.479  -6.126
  342   2HG1  ILE  49          1HG1      ILE  49  -0.485 -11.204  -6.173
  343   1HG2  ILE  49          3HG2      ILE  49  -3.407 -11.288  -7.573
  344   2HG2  ILE  49          2HG2      ILE  49  -2.633 -12.206  -6.292
  345   3HG2  ILE  49          1HG2      ILE  49  -4.098 -11.304  -5.961
  346   1HD1  ILE  49          2HD1      ILE  49  -1.469 -10.785  -8.576
  347   2HD1  ILE  49          1HD1      ILE  49  -0.674  -9.224  -8.457
  348   3HD1  ILE  49          3HD1      ILE  49   0.266 -10.703  -8.360
  349    H    CYS  50           H        CYS  50  -4.847  -7.799  -8.056
  350    HA   CYS  50           HA       CYS  50  -6.669  -7.450  -5.769
  351   1HB   CYS  50          2HB       CYS  50  -7.535  -6.863  -8.568
  352   2HB   CYS  50          1HB       CYS  50  -7.856  -5.984  -7.103
  353    HA   PRO  51           HA       PRO  51  -8.819 -11.251  -6.660
  354   1HB   PRO  51          2HB       PRO  51 -11.324 -10.493  -5.548
  355   2HB   PRO  51          1HB       PRO  51 -10.019 -11.340  -4.733
  356   1HG   PRO  51          2HG       PRO  51 -10.849  -8.535  -4.428
  357   2HG   PRO  51          1HG       PRO  51  -9.759  -9.469  -3.413
  358   1HD   PRO  51          2HD       PRO  51  -9.027  -7.431  -5.307
  359   2HD   PRO  51          1HD       PRO  51  -7.930  -8.486  -4.393
  360    H    LEU  52           H        LEU  52  -9.857 -11.984  -8.389
  361    HA   LEU  52           HA       LEU  52 -11.543 -10.112 -10.014
  362   1HB   LEU  52          2HB       LEU  52  -9.311 -11.983 -10.744
  363   2HB   LEU  52          1HB       LEU  52 -10.691 -12.015 -11.818
  364    HG   LEU  52           HG       LEU  52 -10.507  -9.404 -11.857
  365   1HD1  LEU  52          1HD1      LEU  52  -7.790 -10.184 -10.705
  366   2HD1  LEU  52          3HD1      LEU  52  -8.092  -8.648 -11.501
  367   3HD1  LEU  52          2HD1      LEU  52  -8.946  -9.049 -10.025
  368   1HD2  LEU  52          1HD2      LEU  52  -8.343 -11.132 -13.134
  369   2HD2  LEU  52          3HD2      LEU  52  -9.949 -10.846 -13.787
  370   3HD2  LEU  52          2HD2      LEU  52  -8.805  -9.523 -13.667
  371    H    ALA  53           H        ALA  53 -13.568 -10.661  -9.664
  372    HA   ALA  53           HA       ALA  53 -14.470 -13.249  -8.821
  373   1HB   ALA  53          3HB       ALA  53 -15.707 -11.160  -8.337
  374   2HB   ALA  53          2HB       ALA  53 -16.043 -10.947 -10.048
  375   3HB   ALA  53          1HB       ALA  53 -16.743 -12.305  -9.176
   
  Start of MODEL          13
 Raw file had  375 H/Q atoms
  Start of MODEL   13
    1   1H    ASP   1          1H        ASP   1  12.324   6.111 -17.055
    2   2H    ASP   1          3H        ASP   1  11.218   7.119 -17.858
    3   3H    ASP   1          2H        ASP   1  12.055   7.692 -16.496
    4    HA   ASP   1           HA       ASP   1   9.914   7.202 -15.747
    5   1HB   ASP   1          2HB       ASP   1   9.235   5.782 -17.691
    6   2HB   ASP   1          1HB       ASP   1  10.264   4.485 -17.110
    7    NH1  ARG   2           NH2      ARG   2  14.226  10.561 -12.180
    8    NH2  ARG   2           NH1      ARG   2  13.600  10.513  -9.985
    9    H    ARG   2           H        ARG   2   9.462   6.159 -13.813
   10    HA   ARG   2           HA       ARG   2  11.479   4.349 -12.615
   11   1HB   ARG   2          2HB       ARG   2  10.759   7.134 -11.613
   12   2HB   ARG   2          1HB       ARG   2  11.362   5.909 -10.512
   13   1HG   ARG   2          2HG       ARG   2  13.402   5.642 -11.949
   14   2HG   ARG   2          1HG       ARG   2  12.815   6.920 -12.998
   15   1HD   ARG   2          2HD       ARG   2  13.196   7.392 -10.018
   16   2HD   ARG   2          1HD       ARG   2  14.504   7.615 -11.176
   17    HE   ARG   2           HE       ARG   2  11.987   9.004 -11.825
   18   1HH1  ARG   2          1HH2      ARG   2  14.184  10.152 -13.091
   19   2HH1  ARG   2          2HH2      ARG   2  14.768  11.386 -12.027
   20   1HH2  ARG   2          2HH1      ARG   2  13.088  10.069  -9.249
   21   2HH2  ARG   2          1HH1      ARG   2  14.132  11.339  -9.797
   22    H    ILE   3           H        ILE   3  10.453   2.780 -11.605
   23    HA   ILE   3           HA       ILE   3   7.636   2.594 -11.406
   24    HB   ILE   3           HB       ILE   3   9.016   0.588 -11.518
   25   1HG1  ILE   3          2HG1      ILE   3   8.178  -0.753  -9.599
   26   2HG1  ILE   3          1HG1      ILE   3   7.741   0.708  -8.741
   27   1HG2  ILE   3          2HG2      ILE   3  11.064   1.428 -10.412
   28   2HG2  ILE   3          1HG2      ILE   3  10.253   1.405  -8.857
   29   3HG2  ILE   3          3HG2      ILE   3  10.559  -0.095  -9.711
   30   1HD1  ILE   3          3HD1      ILE   3   6.664   0.234 -11.530
   31   2HD1  ILE   3          2HD1      ILE   3   5.913  -0.557 -10.154
   32   3HD1  ILE   3          1HD1      ILE   3   5.974   1.197 -10.232
   33    H    CYS   4           H        CYS   4   6.254   3.405 -10.000
   34    HA   CYS   4           HA       CYS   4   7.174   4.183  -7.290
   35   1HB   CYS   4          2HB       CYS   4   5.929   5.785  -9.456
   36   2HB   CYS   4          1HB       CYS   4   5.322   6.097  -7.860
   37    H    THR   5           H        THR   5   6.031   1.796  -7.637
   38    HA   THR   5           HA       THR   5   3.142   1.917  -7.104
   39    HB   THR   5           HB       THR   5   3.919  -0.630  -6.242
   40    HG1  THR   5           HG1      THR   5   6.100  -0.265  -6.753
   41   1HG2  THR   5          1HG2      THR   5   3.525   0.349  -9.114
   42   2HG2  THR   5          3HG2      THR   5   3.483  -1.345  -8.642
   43   3HG2  THR   5          2HG2      THR   5   2.262  -0.235  -8.043
   44    H    ASN   6           H        ASN   6   2.210   1.724  -5.040
   45    HA   ASN   6           HA       ASN   6   4.023   1.477  -2.713
   46   1HB   ASN   6          2HB       ASN   6   3.718   3.986  -3.582
   47   2HB   ASN   6          1HB       ASN   6   2.246   3.912  -2.654
   48   1HD2  ASN   6          2HD2      ASN   6   3.937   4.328   0.356
   49   2HD2  ASN   6          1HD2      ASN   6   2.463   4.270  -0.495
   50    H    CYS   7           H        CYS   7   2.829   1.988  -0.711
   51    HA   CYS   7           HA       CYS   7   0.421   0.241  -0.611
   52   1HB   CYS   7          2HB       CYS   7   2.408  -0.155   0.901
   53   2HB   CYS   7          1HB       CYS   7   2.071   1.370   1.684
   54    H    CYS   8           H        CYS   8   1.568   3.394   0.439
   55    HA   CYS   8           HA       CYS   8  -0.836   4.377   1.606
   56   1HB   CYS   8          2HB       CYS   8   1.330   5.521   1.866
   57   2HB   CYS   8          1HB       CYS   8   1.403   5.835   0.160
   58    H    ALA   9           H        ALA   9   0.572   4.940  -1.538
   59    HA   ALA   9           HA       ALA   9  -1.973   5.908  -2.690
   60   1HB   ALA   9          2HB       ALA   9   0.845   5.643  -3.835
   61   2HB   ALA   9          1HB       ALA   9  -0.509   6.354  -4.703
   62   3HB   ALA   9          3HB       ALA   9   0.092   7.115  -3.242
   63    H    GLY  10           H        GLY  10  -2.026   3.277  -1.815
   64   1HA   GLY  10          2HA       GLY  10  -1.597   1.420  -4.005
   65   2HA   GLY  10          1HA       GLY  10  -2.378   1.063  -2.473
   66    H    THR  11           H        THR  11  -3.965  -0.121  -3.648
   67    HA   THR  11           HA       THR  11  -6.174   1.571  -4.690
   68    HB   THR  11           HB       THR  11  -5.050  -0.886  -6.173
   69    HG1  THR  11           HG1      THR  11  -4.415   0.701  -7.578
   70   1HG2  THR  11          2HG2      THR  11  -7.342   1.081  -6.799
   71   2HG2  THR  11          1HG2      THR  11  -6.690  -0.073  -7.949
   72   3HG2  THR  11          3HG2      THR  11  -7.544  -0.642  -6.527
   73    H    LYS  12           H        LYS  12  -7.347   1.241  -2.969
   74    HA   LYS  12           HA       LYS  12  -7.946  -0.605  -1.161
   75   1HB   LYS  12          2HB       LYS  12  -9.859   1.003  -2.820
   76   2HB   LYS  12          1HB       LYS  12 -10.468  -0.035  -1.551
   77   1HG   LYS  12          2HG       LYS  12  -8.178   1.844  -0.945
   78   2HG   LYS  12          1HG       LYS  12  -9.799   2.478  -1.049
   79   1HD   LYS  12          2HD       LYS  12  -9.987   0.139   0.597
   80   2HD   LYS  12          1HD       LYS  12  -8.558   0.992   1.131
   81   1HE   LYS  12          2HE       LYS  12 -11.235   2.405   0.751
   82   2HE   LYS  12          1HE       LYS  12 -10.756   1.669   2.271
   83   1HZ   LYS  12          2HZ       LYS  12  -8.625   3.224   1.432
   84   2HZ   LYS  12          1HZ       LYS  12 -10.021   4.165   1.226
   85   3HZ   LYS  12          3HZ       LYS  12  -9.665   3.493   2.744
   86    H    GLY  13           H        GLY  13  -7.466  -2.689  -1.643
   87   1HA   GLY  13          2HA       GLY  13  -8.928  -4.766  -1.753
   88   2HA   GLY  13          1HA       GLY  13  -9.446  -4.199  -3.325
   89    H    CYS  14           H        CYS  14  -6.745  -3.408  -4.175
   90    HA   CYS  14           HA       CYS  14  -5.835  -6.062  -5.048
   91   1HB   CYS  14          2HB       CYS  14  -4.889  -3.257  -5.683
   92   2HB   CYS  14          1HB       CYS  14  -4.185  -4.691  -6.374
   93    H    LYS  15           H        LYS  15  -4.412  -7.164  -3.942
   94    HA   LYS  15           HA       LYS  15  -2.954  -6.025  -1.708
   95   1HB   LYS  15          2HB       LYS  15  -3.086  -8.784  -2.982
   96   2HB   LYS  15          1HB       LYS  15  -1.966  -8.432  -1.691
   97   1HG   LYS  15          2HG       LYS  15  -3.748  -9.169  -0.423
   98   2HG   LYS  15          1HG       LYS  15  -4.130  -7.464  -0.466
   99   1HD   LYS  15          2HD       LYS  15  -5.504  -8.105  -2.658
  100   2HD   LYS  15          1HD       LYS  15  -5.379  -9.740  -2.043
  101   1HE   LYS  15          2HE       LYS  15  -6.690  -7.350  -0.687
  102   2HE   LYS  15          1HE       LYS  15  -7.460  -8.832  -1.223
  103   1HZ   LYS  15          3HZ       LYS  15  -5.800  -9.924   0.404
  104   2HZ   LYS  15          2HZ       LYS  15  -5.732  -8.375   1.097
  105   3HZ   LYS  15          1HZ       LYS  15  -7.216  -9.197   0.998
  106    OH   TYR  16           OH       TYR  16  -1.379   0.517  -6.388
  107    H    TYR  16           H        TYR  16  -1.415  -4.636  -2.261
  108    HA   TYR  16           HA       TYR  16   0.281  -4.781  -4.545
  109   1HB   TYR  16          2HB       TYR  16   0.316  -3.312  -1.894
  110   2HB   TYR  16          1HB       TYR  16   1.820  -3.335  -2.806
  111    HD1  TYR  16           HD1      TYR  16  -1.850  -2.820  -3.368
  112    HD2  TYR  16           HD2      TYR  16   2.088  -1.668  -4.471
  113    HE1  TYR  16           HE1      TYR  16  -2.773  -1.137  -4.874
  114    HE2  TYR  16           HE2      TYR  16   1.173   0.023  -5.981
  115    HH   TYR  16           HH       TYR  16  -1.267   1.383  -5.990
  116    H    PHE  17           H        PHE  17   1.775  -6.204  -4.974
  117    HA   PHE  17           HA       PHE  17   3.233  -7.600  -2.809
  118   1HB   PHE  17          2HB       PHE  17   1.665  -9.202  -3.254
  119   2HB   PHE  17          1HB       PHE  17   1.324  -8.615  -4.862
  120    HD1  PHE  17           HD1      PHE  17   3.224  -9.024  -6.630
  121    HD2  PHE  17           HD2      PHE  17   2.768 -11.263  -3.037
  122    HE1  PHE  17           HE1      PHE  17   4.477 -10.859  -7.617
  123    HE2  PHE  17           HE2      PHE  17   4.018 -13.101  -4.013
  124    HZ   PHE  17           HZ       PHE  17   4.890 -12.906  -6.337
  125    H    SER  18           H        SER  18   5.150  -8.588  -3.404
  126    HA   SER  18           HA       SER  18   6.612  -7.153  -5.543
  127   1HB   SER  18          2HB       SER  18   7.654  -6.780  -3.415
  128   2HB   SER  18          1HB       SER  18   7.533  -8.482  -2.967
  129    HG   SER  18           HG       SER  18   9.048  -8.993  -4.400
  130    H    ASP  19           H        ASP  19   7.377  -8.137  -7.172
  131    HA   ASP  19           HA       ASP  19   6.726 -10.601  -8.188
  132   1HB   ASP  19          2HB       ASP  19   8.873 -10.297  -9.633
  133   2HB   ASP  19          1HB       ASP  19   7.639  -9.065  -9.705
  134    H    ASP  20           H        ASP  20   9.145 -10.094  -5.781
  135    HA   ASP  20           HA       ASP  20  10.903 -12.245  -6.259
  136   1HB   ASP  20          2HB       ASP  20  11.595 -11.958  -3.988
  137   2HB   ASP  20          1HB       ASP  20  10.974 -10.377  -4.427
  138    H    GLY  21           H        GLY  21   7.691 -12.190  -5.044
  139   1HA   GLY  21          2HA       GLY  21   6.299 -14.215  -5.392
  140   2HA   GLY  21          1HA       GLY  21   7.635 -15.161  -4.730
  141    H    THR  22           H        THR  22   6.716 -11.994  -3.497
  142    HA   THR  22           HA       THR  22   5.339 -13.218  -1.187
  143    HB   THR  22           HB       THR  22   7.809 -11.464  -0.988
  144    HG1  THR  22           HG1      THR  22   7.163 -14.182  -0.557
  145   1HG2  THR  22          1HG2      THR  22   5.921 -12.685   1.120
  146   2HG2  THR  22          3HG2      THR  22   7.574 -12.246   1.520
  147   3HG2  THR  22          2HG2      THR  22   6.438 -11.009   1.022
  148    H    PHE  23           H        PHE  23   3.925 -11.984  -0.195
  149    HA   PHE  23           HA       PHE  23   2.830  -9.689  -1.534
  150   1HB   PHE  23          2HB       PHE  23   1.331 -11.151  -0.468
  151   2HB   PHE  23          1HB       PHE  23   2.327 -11.305   0.947
  152    HD1  PHE  23           HD1      PHE  23   2.316  -9.506   2.693
  153    HD2  PHE  23           HD2      PHE  23  -0.272  -9.327  -0.685
  154    HE1  PHE  23           HE1      PHE  23   0.952  -7.812   3.828
  155    HE2  PHE  23           HE2      PHE  23  -1.638  -7.631   0.456
  156    HZ   PHE  23           HZ       PHE  23  -1.028  -6.876   2.712
  157    H    VAL  24           H        VAL  24   2.753  -7.530  -0.788
  158    HA   VAL  24           HA       VAL  24   4.960  -6.759   1.066
  159    HB   VAL  24           HB       VAL  24   3.769  -5.395  -1.393
  160   1HG1  VAL  24          3HG1      VAL  24   5.767  -4.324   0.622
  161   2HG1  VAL  24          2HG1      VAL  24   5.580  -3.669  -1.000
  162   3HG1  VAL  24          1HG1      VAL  24   4.240  -3.597   0.130
  163   1HG2  VAL  24          2HG2      VAL  24   5.447  -7.267  -1.725
  164   2HG2  VAL  24          1HG2      VAL  24   5.988  -5.718  -2.343
  165   3HG2  VAL  24          3HG2      VAL  24   6.614  -6.322  -0.816
  166    H    CYS  25           H        CYS  25   1.796  -5.691  -0.065
  167    HA   CYS  25           HA       CYS  25   0.774  -5.197   2.592
  168   1HB   CYS  25          2HB       CYS  25   1.331  -3.136   2.932
  169   2HB   CYS  25          1HB       CYS  25   2.225  -3.087   1.435
  170    H    GLU  26           H        GLU  26  -1.285  -3.854   2.395
  171    HA   GLU  26           HA       GLU  26  -2.879  -4.900   0.094
  172   1HB   GLU  26          2HB       GLU  26  -3.480  -4.973   2.780
  173   2HB   GLU  26          1HB       GLU  26  -4.263  -3.482   2.355
  174   1HG   GLU  26          2HG       GLU  26  -4.839  -6.232   1.201
  175   2HG   GLU  26          1HG       GLU  26  -5.933  -5.179   2.067
  176    H    GLY  27           H        GLY  27  -3.356  -3.483  -1.490
  177   1HA   GLY  27          2HA       GLY  27  -2.555  -0.755  -1.482
  178   2HA   GLY  27          1HA       GLY  27  -3.722  -1.476  -2.613
  179    H    GLU  28           H        GLU  28  -3.331   0.476   0.148
  180    HA   GLU  28           HA       GLU  28  -6.162   0.364   0.950
  181   1HB   GLU  28          2HB       GLU  28  -3.958   0.482   2.450
  182   2HB   GLU  28          1HB       GLU  28  -4.207   2.203   2.276
  183   1HG   GLU  28          2HG       GLU  28  -6.704   1.665   2.999
  184   2HG   GLU  28          1HG       GLU  28  -6.036   0.139   3.548
  185    H    SER  29           H        SER  29  -4.518   2.452  -1.217
  186    HA   SER  29           HA       SER  29  -6.020   4.844  -0.424
  187   1HB   SER  29          2HB       SER  29  -4.284   5.778  -1.622
  188   2HB   SER  29          1HB       SER  29  -3.858   4.213  -2.286
  189    HG   SER  29           HG       SER  29  -4.994   4.571  -3.975
  190    H    ASP  30           H        ASP  30  -7.983   5.447  -1.078
  191    HA   ASP  30           HA       ASP  30  -9.446   3.684  -2.950
  192   1HB   ASP  30          2HB       ASP  30 -10.346   4.457  -0.605
  193   2HB   ASP  30          1HB       ASP  30 -10.636   5.993  -1.392
  194    HA   PRO  31           HA       PRO  31  -8.827   6.668  -6.233
  195   1HB   PRO  31          2HB       PRO  31 -11.458   6.054  -7.363
  196   2HB   PRO  31          1HB       PRO  31  -9.862   5.691  -8.007
  197   1HG   PRO  31          2HG       PRO  31 -11.693   3.860  -6.749
  198   2HG   PRO  31          1HG       PRO  31 -10.078   3.505  -7.341
  199   1HD   PRO  31          2HD       PRO  31 -10.941   3.661  -4.597
  200   2HD   PRO  31          1HD       PRO  31  -9.298   3.364  -5.183
  201    NH1  ARG  32           NH2      ARG  32 -17.613   8.362  -5.953
  202    NH2  ARG  32           NH1      ARG  32 -17.056   8.625  -8.152
  203    H    ARG  32           H        ARG  32 -11.672   6.620  -4.244
  204    HA   ARG  32           HA       ARG  32 -12.535   9.305  -5.012
  205   1HB   ARG  32          2HB       ARG  32 -13.547   7.515  -2.770
  206   2HB   ARG  32          1HB       ARG  32 -14.361   8.920  -3.422
  207   1HG   ARG  32          2HG       ARG  32 -13.789   6.320  -4.920
  208   2HG   ARG  32          1HG       ARG  32 -15.351   6.881  -4.366
  209   1HD   ARG  32          2HD       ARG  32 -14.744   9.029  -5.877
  210   2HD   ARG  32          1HD       ARG  32 -13.704   7.864  -6.690
  211    HE   ARG  32           HE       ARG  32 -15.729   6.486  -7.115
  212   1HH1  ARG  32          1HH2      ARG  32 -17.398   7.974  -5.057
  213   2HH1  ARG  32          2HH2      ARG  32 -18.434   8.920  -6.074
  214   1HH2  ARG  32          2HH1      ARG  32 -16.426   8.433  -8.905
  215   2HH2  ARG  32          1HH1      ARG  32 -17.867   9.188  -8.310
  216    H    ASN  33           H        ASN  33 -10.791   7.844  -2.276
  217    HA   ASN  33           HA       ASN  33 -10.868  10.415  -0.852
  218   1HB   ASN  33          2HB       ASN  33  -9.828   9.238   1.007
  219   2HB   ASN  33          1HB       ASN  33 -11.137   8.267   0.380
  220   1HD2  ASN  33          2HD2      ASN  33  -8.799   5.637   0.720
  221   2HD2  ASN  33          1HD2      ASN  33 -10.136   6.412   1.421
  222    HA   PRO  34           HA       PRO  34  -6.756  11.589  -2.192
  223   1HB   PRO  34          2HB       PRO  34  -6.210  13.546  -0.317
  224   2HB   PRO  34          1HB       PRO  34  -7.328  13.753  -1.655
  225   1HG   PRO  34          2HG       PRO  34  -7.944  13.288   1.239
  226   2HG   PRO  34          1HG       PRO  34  -8.886  14.152   0.031
  227   1HD   PRO  34          2HD       PRO  34  -9.352  11.453   0.917
  228   2HD   PRO  34          1HD       PRO  34 -10.113  12.277  -0.456
  229    H    LYS  35           H        LYS  35  -6.563   9.159  -1.000
  230    HA   LYS  35           HA       LYS  35  -4.862   9.192   1.358
  231   1HB   LYS  35          2HB       LYS  35  -5.797   7.096  -0.602
  232   2HB   LYS  35          1HB       LYS  35  -4.464   6.697   0.461
  233   1HG   LYS  35          2HG       LYS  35  -6.969   7.910   1.644
  234   2HG   LYS  35          1HG       LYS  35  -6.941   6.206   1.223
  235   1HD   LYS  35          2HD       LYS  35  -5.071   5.765   2.685
  236   2HD   LYS  35          1HD       LYS  35  -4.830   7.476   3.000
  237   1HE   LYS  35          2HE       LYS  35  -6.954   7.634   4.179
  238   2HE   LYS  35          1HE       LYS  35  -7.408   6.006   3.691
  239   1HZ   LYS  35          3HZ       LYS  35  -4.997   6.564   5.301
  240   2HZ   LYS  35          2HZ       LYS  35  -6.519   6.257   5.992
  241   3HZ   LYS  35          1HZ       LYS  35  -5.769   5.077   5.029
  242    H    ALA  36           H        ALA  36  -3.117  10.438   0.970
  243    HA   ALA  36           HA       ALA  36  -1.036   9.337  -0.853
  244   1HB   ALA  36          2HB       ALA  36  -2.109  11.243  -2.027
  245   2HB   ALA  36          1HB       ALA  36  -1.800  12.281  -0.645
  246   3HB   ALA  36          3HB       ALA  36  -0.458  11.645  -1.586
  247    H    CYS  37           H        CYS  37   1.062   9.883  -0.311
  248    HA   CYS  37           HA       CYS  37   1.644  11.108   2.318
  249   1HB   CYS  37          2HB       CYS  37   2.710   8.365   1.548
  250   2HB   CYS  37          1HB       CYS  37   2.900   9.153   3.081
  251    HA   PRO  38           HA       PRO  38   5.183  12.637   0.137
  252   1HB   PRO  38          2HB       PRO  38   7.186  12.078   2.146
  253   2HB   PRO  38          1HB       PRO  38   6.412  13.608   1.772
  254   1HG   PRO  38          2HG       PRO  38   5.945  11.905   4.064
  255   2HG   PRO  38          1HG       PRO  38   5.194  13.452   3.710
  256   1HD   PRO  38          2HD       PRO  38   3.997  10.827   3.544
  257   2HD   PRO  38          1HD       PRO  38   3.228  12.383   3.190
  258    NH1  ARG  39           NH2      ARG  39   6.918   6.373   5.475
  259    NH2  ARG  39           NH1      ARG  39   7.283   8.382   6.496
  260    H    ARG  39           H        ARG  39   5.055   9.417   1.139
  261    HA   ARG  39           HA       ARG  39   7.219   8.640  -0.777
  262   1HB   ARG  39          2HB       ARG  39   7.484   6.591   0.770
  263   2HB   ARG  39          1HB       ARG  39   8.108   8.109   1.361
  264   1HG   ARG  39          2HG       ARG  39   5.246   7.436   2.078
  265   2HG   ARG  39          1HG       ARG  39   6.509   6.507   2.853
  266   1HD   ARG  39          2HD       ARG  39   7.602   8.814   3.442
  267   2HD   ARG  39          1HD       ARG  39   6.051   9.511   2.992
  268    HE   ARG  39           HE       ARG  39   5.042   8.453   4.877
  269   1HH1  ARG  39          1HH2      ARG  39   6.481   5.853   4.740
  270   2HH1  ARG  39          2HH2      ARG  39   7.494   5.906   6.145
  271   1HH2  ARG  39          2HH1      ARG  39   7.119   9.368   6.529
  272   2HH2  ARG  39          1HH1      ARG  39   7.865   7.947   7.183
  273    H    ASN  40           H        ASN  40   5.416   8.705  -2.263
  274    HA   ASN  40           HA       ASN  40   3.615   6.316  -2.156
  275   1HB   ASN  40          2HB       ASN  40   3.503   8.930  -3.731
  276   2HB   ASN  40          1HB       ASN  40   2.399   7.597  -4.027
  277   1HD2  ASN  40          2HD2      ASN  40   1.621   8.378  -0.228
  278   2HD2  ASN  40          1HD2      ASN  40   2.861   7.352  -0.759
  279    H    CYS  41           H        CYS  41   6.257   5.924  -2.616
  280    HA   CYS  41           HA       CYS  41   6.235   4.746  -5.321
  281   1HB   CYS  41          2HB       CYS  41   8.351   6.690  -4.309
  282   2HB   CYS  41          1HB       CYS  41   8.602   5.632  -5.679
  283    H    ASP  42           H        ASP  42   7.153   2.794  -5.337
  284    HA   ASP  42           HA       ASP  42   9.191   2.010  -3.406
  285   1HB   ASP  42          2HB       ASP  42   6.713   1.755  -2.358
  286   2HB   ASP  42          1HB       ASP  42   6.731   0.259  -3.262
  287    HA   PRO  43           HA       PRO  43   9.733  -0.186  -7.380
  288   1HB   PRO  43          2HB       PRO  43  12.452  -0.733  -6.445
  289   2HB   PRO  43          1HB       PRO  43  11.937   0.210  -7.831
  290   1HG   PRO  43          2HG       PRO  43  12.994   1.233  -5.405
  291   2HG   PRO  43          1HG       PRO  43  12.232   2.176  -6.677
  292   1HD   PRO  43          2HD       PRO  43  11.165   1.475  -4.032
  293   2HD   PRO  43          1HD       PRO  43  10.532   2.649  -5.202
  294    NH1  ARG  44           NH2      ARG  44   7.916  -2.403   0.023
  295    NH2  ARG  44           NH1      ARG  44  10.070  -1.716   0.316
  296    H    ARG  44           H        ARG  44   9.989  -1.234  -4.125
  297    HA   ARG  44           HA       ARG  44  10.772  -3.932  -4.484
  298   1HB   ARG  44          2HB       ARG  44  10.505  -2.579  -2.321
  299   2HB   ARG  44          1HB       ARG  44   8.786  -2.922  -2.430
  300   1HG   ARG  44          2HG       ARG  44   9.048  -5.188  -1.953
  301   2HG   ARG  44          1HG       ARG  44  10.669  -5.262  -2.617
  302   1HD   ARG  44          2HD       ARG  44  10.908  -5.432  -0.218
  303   2HD   ARG  44          1HD       ARG  44  11.443  -3.813  -0.633
  304    HE   ARG  44           HE       ARG  44   9.142  -4.489   0.989
  305   1HH1  ARG  44          1HH2      ARG  44   7.260  -3.153  -0.050
  306   2HH1  ARG  44          2HH2      ARG  44   7.605  -1.456  -0.052
  307   1HH2  ARG  44          2HH1      ARG  44  11.032  -1.947   0.465
  308   2HH2  ARG  44          1HH1      ARG  44   9.791  -0.759   0.242
  309    H    ILE  45           H        ILE  45   7.639  -2.342  -4.826
  310    HA   ILE  45           HA       ILE  45   6.206  -4.870  -5.121
  311    HB   ILE  45           HB       ILE  45   5.497  -1.935  -5.413
  312   1HG1  ILE  45          2HG1      ILE  45   3.752  -3.789  -3.889
  313   2HG1  ILE  45          1HG1      ILE  45   5.408  -3.842  -3.342
  314   1HG2  ILE  45          2HG2      ILE  45   3.702  -4.281  -6.253
  315   2HG2  ILE  45          1HG2      ILE  45   3.117  -2.654  -5.997
  316   3HG2  ILE  45          3HG2      ILE  45   4.247  -2.974  -7.290
  317   1HD1  ILE  45          3HD1      ILE  45   4.134  -1.129  -3.745
  318   2HD1  ILE  45          2HD1      ILE  45   3.780  -2.047  -2.292
  319   3HD1  ILE  45          1HD1      ILE  45   5.435  -1.599  -2.661
  320    H    ALA  46           H        ALA  46   5.192  -5.540  -6.916
  321    HA   ALA  46           HA       ALA  46   6.393  -4.792  -9.549
  322   1HB   ALA  46          3HB       ALA  46   7.318  -6.902  -8.565
  323   2HB   ALA  46          2HB       ALA  46   5.711  -7.599  -8.605
  324   3HB   ALA  46          1HB       ALA  46   6.517  -7.159 -10.108
  325    OH   TYR  47           OH       TYR  47   6.329  -9.714 -12.188
  326    H    TYR  47           H        TYR  47   3.685  -6.266  -7.846
  327    HA   TYR  47           HA       TYR  47   1.806  -5.111  -9.805
  328   1HB   TYR  47          2HB       TYR  47   1.207  -8.007  -9.300
  329   2HB   TYR  47          1HB       TYR  47   0.989  -7.066 -10.758
  330    HD1  TYR  47           HD1      TYR  47   2.889  -6.781 -12.356
  331    HD2  TYR  47           HD2      TYR  47   3.255  -9.248  -8.905
  332    HE1  TYR  47           HE1      TYR  47   4.886  -7.824 -13.311
  333    HE2  TYR  47           HE2      TYR  47   5.251 -10.291  -9.864
  334    HH   TYR  47           HH       TYR  47   6.141  -9.936 -13.103
  335    H    GLY  48           H        GLY  48  -0.481  -5.899  -9.212
  336   1HA   GLY  48          2HA       GLY  48  -0.841  -5.837  -6.233
  337   2HA   GLY  48          1HA       GLY  48  -1.840  -4.884  -7.336
  338    H    ILE  49           H        ILE  49  -1.487  -7.877  -5.790
  339    HA   ILE  49           HA       ILE  49  -3.030  -9.470  -7.689
  340    HB   ILE  49           HB       ILE  49  -2.327 -10.057  -4.769
  341   1HG1  ILE  49          2HG1      ILE  49  -0.199  -9.736  -5.838
  342   2HG1  ILE  49          1HG1      ILE  49  -0.440 -11.460  -5.756
  343   1HG2  ILE  49          3HG2      ILE  49  -3.246 -11.845  -7.054
  344   2HG2  ILE  49          2HG2      ILE  49  -2.563 -12.469  -5.561
  345   3HG2  ILE  49          1HG2      ILE  49  -4.060 -11.559  -5.527
  346   1HD1  ILE  49          1HD1      ILE  49  -1.356 -11.286  -8.186
  347   2HD1  ILE  49          3HD1      ILE  49  -0.672  -9.665  -8.192
  348   3HD1  ILE  49          2HD1      ILE  49   0.368 -11.059  -7.960
  349    H    CYS  50           H        CYS  50  -4.936  -8.444  -7.987
  350    HA   CYS  50           HA       CYS  50  -6.669  -7.772  -5.694
  351   1HB   CYS  50          2HB       CYS  50  -7.641  -7.603  -8.521
  352   2HB   CYS  50          1HB       CYS  50  -7.940  -6.528  -7.188
  353    HA   PRO  51           HA       PRO  51  -8.883 -11.618  -5.887
  354   1HB   PRO  51          2HB       PRO  51 -11.463 -10.575  -5.215
  355   2HB   PRO  51          1HB       PRO  51 -10.286 -11.287  -4.124
  356   1HG   PRO  51          2HG       PRO  51 -10.988  -8.456  -4.440
  357   2HG   PRO  51          1HG       PRO  51 -10.013  -9.207  -3.186
  358   1HD   PRO  51          2HD       PRO  51  -9.055  -7.596  -5.359
  359   2HD   PRO  51          1HD       PRO  51  -8.073  -8.504  -4.193
  360    H    LEU  52           H        LEU  52 -10.842  -8.946  -7.063
  361    HA   LEU  52           HA       LEU  52 -10.963  -9.985  -9.786
  362   1HB   LEU  52          2HB       LEU  52 -13.480 -10.192  -9.790
  363   2HB   LEU  52          1HB       LEU  52 -12.675 -11.405  -8.831
  364    HG   LEU  52           HG       LEU  52 -13.100  -9.394  -6.918
  365   1HD1  LEU  52          1HD1      LEU  52 -15.437  -9.383  -8.871
  366   2HD1  LEU  52          3HD1      LEU  52 -15.544  -8.792  -7.222
  367   3HD1  LEU  52          2HD1      LEU  52 -14.468  -8.009  -8.360
  368   1HD2  LEU  52          1HD2      LEU  52 -14.963 -11.695  -7.633
  369   2HD2  LEU  52          3HD2      LEU  52 -13.535 -11.814  -6.617
  370   3HD2  LEU  52          2HD2      LEU  52 -14.912 -10.866  -6.085
  371    H    ALA  53           H        ALA  53 -12.141  -8.580 -11.222
  372    HA   ALA  53           HA       ALA  53 -11.636  -5.799 -10.674
  373   1HB   ALA  53          1HB       ALA  53 -13.161  -7.151 -12.942
  374   2HB   ALA  53          3HB       ALA  53 -12.717  -5.450 -12.924
  375   3HB   ALA  53          2HB       ALA  53 -11.468  -6.685 -12.950
   
  Start of MODEL          14
 Raw file had  375 H/Q atoms
  Start of MODEL   14
    1   1H    ASP   1          2H        ASP   1  11.113   1.115 -15.352
    2   2H    ASP   1          1H        ASP   1  12.425   0.176 -14.823
    3   3H    ASP   1          3H        ASP   1  10.974   0.182 -13.939
    4    HA   ASP   1           HA       ASP   1  12.608   1.529 -12.831
    5   1HB   ASP   1          2HB       ASP   1  13.590   3.486 -13.939
    6   2HB   ASP   1          1HB       ASP   1  13.877   2.091 -14.962
    7    NH1  ARG   2           NH2      ARG   2   7.466   7.153 -17.913
    8    NH2  ARG   2           NH1      ARG   2   7.605   8.891 -16.439
    9    H    ARG   2           H        ARG   2   9.918   2.242 -14.886
   10    HA   ARG   2           HA       ARG   2   8.990   4.565 -13.360
   11   1HB   ARG   2          2HB       ARG   2   7.551   2.900 -15.474
   12   2HB   ARG   2          1HB       ARG   2   7.045   4.476 -14.908
   13   1HG   ARG   2          2HG       ARG   2   9.702   3.927 -16.318
   14   2HG   ARG   2          1HG       ARG   2   8.270   4.528 -17.113
   15   1HD   ARG   2          2HD       ARG   2   9.656   5.990 -14.813
   16   2HD   ARG   2          1HD       ARG   2   9.863   6.372 -16.513
   17    HE   ARG   2           HE       ARG   2   7.316   6.691 -14.988
   18   1HH1  ARG   2          1HH2      ARG   2   7.519   6.170 -18.084
   19   2HH1  ARG   2          2HH2      ARG   2   7.260   7.782 -18.662
   20   1HH2  ARG   2          2HH1      ARG   2   7.762   9.213 -15.505
   21   2HH2  ARG   2          1HH1      ARG   2   7.402   9.546 -17.167
   22    H    ILE   3           H        ILE   3   9.340   1.935 -12.020
   23    HA   ILE   3           HA       ILE   3   6.650   1.119 -11.223
   24    HB   ILE   3           HB       ILE   3   8.482  -0.520 -11.637
   25   1HG1  ILE   3          2HG1      ILE   3   8.315  -1.914  -9.642
   26   2HG1  ILE   3          1HG1      ILE   3   7.783  -0.573  -8.660
   27   1HG2  ILE   3          3HG2      ILE   3   9.951   0.974  -9.430
   28   2HG2  ILE   3          2HG2      ILE   3  10.397  -0.641  -9.948
   29   3HG2  ILE   3          1HG2      ILE   3  10.465   0.693 -11.077
   30   1HD1  ILE   3          1HD1      ILE   3   6.294  -1.589 -11.114
   31   2HD1  ILE   3          3HD1      ILE   3   5.912  -2.054  -9.462
   32   3HD1  ILE   3          2HD1      ILE   3   5.713  -0.387  -9.972
   33    H    CYS   4           H        CYS   4   6.900   3.714 -10.663
   34    HA   CYS   4           HA       CYS   4   7.813   4.115  -7.911
   35   1HB   CYS   4          2HB       CYS   4   6.850   5.836 -10.155
   36   2HB   CYS   4          1HB       CYS   4   6.616   6.472  -8.544
   37    H    THR   5           H        THR   5   5.972   2.207  -7.959
   38    HA   THR   5           HA       THR   5   3.330   3.207  -7.175
   39    HB   THR   5           HB       THR   5   3.139   0.552  -6.609
   40    HG1  THR   5           HG1      THR   5   4.746  -0.492  -7.908
   41   1HG2  THR   5          3HG2      THR   5   3.683   1.575  -9.454
   42   2HG2  THR   5          2HG2      THR   5   2.866   0.068  -9.065
   43   3HG2  THR   5          1HG2      THR   5   2.107   1.601  -8.672
   44    H    ASN   6           H        ASN   6   2.455   2.319  -5.051
   45    HA   ASN   6           HA       ASN   6   4.378   1.917  -2.896
   46   1HB   ASN   6          2HB       ASN   6   3.494   4.056  -1.655
   47   2HB   ASN   6          1HB       ASN   6   4.698   4.261  -2.900
   48   1HD2  ASN   6          2HD2      ASN   6   1.399   6.372  -3.250
   49   2HD2  ASN   6          1HD2      ASN   6   2.015   5.723  -1.806
   50    H    CYS   7           H        CYS   7   3.487   1.168  -1.031
   51    HA   CYS   7           HA       CYS   7   1.072  -0.237  -1.151
   52   1HB   CYS   7          2HB       CYS   7   2.660  -0.986   0.432
   53   2HB   CYS   7          1HB       CYS   7   2.893   0.614   1.074
   54    H    CYS   8           H        CYS   8   1.567   3.030  -0.427
   55    HA   CYS   8           HA       CYS   8  -0.834   3.469   1.127
   56   1HB   CYS   8          2HB       CYS   8   0.881   5.021   1.378
   57   2HB   CYS   8          1HB       CYS   8   1.223   5.087  -0.306
   58    H    ALA   9           H        ALA   9   0.077   4.614  -2.041
   59    HA   ALA   9           HA       ALA   9  -2.424   5.321  -3.054
   60   1HB   ALA   9          3HB       ALA   9   0.102   4.438  -4.479
   61   2HB   ALA   9          2HB       ALA   9  -1.271   5.155  -5.311
   62   3HB   ALA   9          1HB       ALA   9  -0.402   6.076  -4.099
   63    H    GLY  10           H        GLY  10  -0.882   2.694  -4.798
   64   1HA   GLY  10          2HA       GLY  10  -1.937   1.033  -6.091
   65   2HA   GLY  10          1HA       GLY  10  -2.312   0.426  -4.508
   66    H    THR  11           H        THR  11  -4.316   0.188  -3.928
   67    HA   THR  11           HA       THR  11  -6.602   1.669  -4.617
   68    HB   THR  11           HB       THR  11  -7.577  -0.463  -6.138
   69    HG1  THR  11           HG1      THR  11  -5.065  -0.921  -6.014
   70   1HG2  THR  11          1HG2      THR  11  -6.937   2.253  -6.762
   71   2HG2  THR  11          3HG2      THR  11  -6.139   1.291  -7.993
   72   3HG2  THR  11          2HG2      THR  11  -7.864   1.138  -7.743
   73    H    LYS  12           H        LYS  12  -7.911   1.236  -3.006
   74    HA   LYS  12           HA       LYS  12  -7.577  -0.892  -1.200
   75   1HB   LYS  12          2HB       LYS  12  -8.839   1.269  -0.838
   76   2HB   LYS  12          1HB       LYS  12 -10.183   0.581  -1.723
   77   1HG   LYS  12          2HG       LYS  12  -9.149  -1.187   0.456
   78   2HG   LYS  12          1HG       LYS  12  -9.672   0.372   1.037
   79   1HD   LYS  12          2HD       LYS  12 -11.749  -0.562   1.101
   80   2HD   LYS  12          1HD       LYS  12 -11.782  -0.201  -0.603
   81   1HE   LYS  12          2HE       LYS  12 -10.459  -2.715  -0.427
   82   2HE   LYS  12          1HE       LYS  12 -11.809  -2.795   0.692
   83   1HZ   LYS  12          2HZ       LYS  12 -13.040  -1.676  -1.299
   84   2HZ   LYS  12          1HZ       LYS  12 -11.804  -2.411  -2.195
   85   3HZ   LYS  12          3HZ       LYS  12 -12.830  -3.366  -1.233
   86    H    GLY  13           H        GLY  13  -7.571  -2.873  -1.833
   87   1HA   GLY  13          2HA       GLY  13  -9.431  -4.696  -2.083
   88   2HA   GLY  13          1HA       GLY  13  -9.657  -3.951  -3.667
   89    H    CYS  14           H        CYS  14  -6.756  -3.350  -3.913
   90    HA   CYS  14           HA       CYS  14  -5.890  -6.039  -4.831
   91   1HB   CYS  14          2HB       CYS  14  -4.667  -3.318  -5.352
   92   2HB   CYS  14          1HB       CYS  14  -4.247  -4.815  -6.140
   93    H    LYS  15           H        LYS  15  -4.421  -7.145  -3.676
   94    HA   LYS  15           HA       LYS  15  -3.186  -5.879  -1.344
   95   1HB   LYS  15          2HB       LYS  15  -2.343  -8.145  -0.848
   96   2HB   LYS  15          1HB       LYS  15  -4.063  -8.162  -1.153
   97   1HG   LYS  15          2HG       LYS  15  -2.986  -8.617  -3.689
   98   2HG   LYS  15          1HG       LYS  15  -1.851  -9.447  -2.656
   99   1HD   LYS  15          2HD       LYS  15  -4.869  -9.855  -2.482
  100   2HD   LYS  15          1HD       LYS  15  -3.820 -10.850  -3.472
  101   1HE   LYS  15          2HE       LYS  15  -2.487 -11.448  -1.424
  102   2HE   LYS  15          1HE       LYS  15  -3.611 -10.510  -0.448
  103   1HZ   LYS  15          3HZ       LYS  15  -5.020 -12.300  -2.112
  104   2HZ   LYS  15          2HZ       LYS  15  -3.844 -13.138  -1.218
  105   3HZ   LYS  15          1HZ       LYS  15  -5.003 -12.188  -0.418
  106    OH   TYR  16           OH       TYR  16  -2.426   0.858  -2.207
  107    H    TYR  16           H        TYR  16  -1.442  -4.712  -1.565
  108    HA   TYR  16           HA       TYR  16   0.296  -4.594  -3.791
  109   1HB   TYR  16          2HB       TYR  16   0.990  -3.992  -0.891
  110   2HB   TYR  16          1HB       TYR  16   1.897  -3.459  -2.290
  111    HD1  TYR  16           HD1      TYR  16  -1.187  -3.034  -0.379
  112    HD2  TYR  16           HD2      TYR  16   1.036  -1.672  -3.739
  113    HE1  TYR  16           HE1      TYR  16  -2.596  -1.031  -0.518
  114    HE2  TYR  16           HE2      TYR  16  -0.378   0.307  -3.867
  115    HH   TYR  16           HH       TYR  16  -1.867   1.637  -2.213
  116    H    PHE  17           H        PHE  17   1.943  -5.856  -4.441
  117    HA   PHE  17           HA       PHE  17   3.276  -7.657  -2.535
  118   1HB   PHE  17          2HB       PHE  17   1.604  -9.071  -3.115
  119   2HB   PHE  17          1HB       PHE  17   1.342  -8.396  -4.707
  120    HD1  PHE  17           HD1      PHE  17   3.346  -8.847  -6.421
  121    HD2  PHE  17           HD2      PHE  17   2.546 -11.146  -2.926
  122    HE1  PHE  17           HE1      PHE  17   4.541 -10.736  -7.385
  123    HE2  PHE  17           HE2      PHE  17   3.733 -13.034  -3.875
  124    HZ   PHE  17           HZ       PHE  17   4.743 -12.838  -6.143
  125    H    SER  18           H        SER  18   5.137  -8.553  -3.261
  126    HA   SER  18           HA       SER  18   6.563  -6.990  -5.342
  127   1HB   SER  18          2HB       SER  18   7.540  -6.610  -3.189
  128   2HB   SER  18          1HB       SER  18   7.573  -8.338  -2.810
  129    HG   SER  18           HG       SER  18   9.211  -8.575  -4.025
  130    H    ASP  19           H        ASP  19   7.434  -7.838  -6.897
  131    HA   ASP  19           HA       ASP  19   6.906 -10.073  -8.288
  132   1HB   ASP  19          2HB       ASP  19   9.280  -9.641  -9.360
  133   2HB   ASP  19          1HB       ASP  19   8.045  -8.410  -9.468
  134    H    ASP  20           H        ASP  20   9.383 -10.081  -5.799
  135    HA   ASP  20           HA       ASP  20  10.787 -12.412  -6.640
  136   1HB   ASP  20          2HB       ASP  20  11.603 -12.577  -4.341
  137   2HB   ASP  20          1HB       ASP  20  11.521 -10.878  -4.778
  138    H    GLY  21           H        GLY  21   7.728 -12.084  -5.045
  139   1HA   GLY  21          2HA       GLY  21   6.160 -14.023  -5.428
  140   2HA   GLY  21          1HA       GLY  21   7.460 -15.060  -4.860
  141    H    THR  22           H        THR  22   6.599 -11.893  -3.543
  142    HA   THR  22           HA       THR  22   5.426 -13.195  -1.150
  143    HB   THR  22           HB       THR  22   7.878 -11.407  -1.148
  144    HG1  THR  22           HG1      THR  22   8.603 -13.339  -1.288
  145   1HG2  THR  22          3HG2      THR  22   6.041 -12.377   1.115
  146   2HG2  THR  22          2HG2      THR  22   7.756 -12.156   1.419
  147   3HG2  THR  22          1HG2      THR  22   6.774 -10.789   0.928
  148    H    PHE  23           H        PHE  23   3.998 -12.046  -0.046
  149    HA   PHE  23           HA       PHE  23   2.739  -9.755  -1.260
  150   1HB   PHE  23          2HB       PHE  23   1.360 -11.313  -0.137
  151   2HB   PHE  23          1HB       PHE  23   2.436 -11.430   1.220
  152    HD1  PHE  23           HD1      PHE  23   2.572  -9.367   2.834
  153    HD2  PHE  23           HD2      PHE  23  -0.530  -9.837  -0.060
  154    HE1  PHE  23           HE1      PHE  23   1.178  -7.780   4.065
  155    HE2  PHE  23           HE2      PHE  23  -1.917  -8.245   1.190
  156    HZ   PHE  23           HZ       PHE  23  -1.079  -7.210   3.245
  157    H    VAL  24           H        VAL  24   2.600  -7.640  -0.377
  158    HA   VAL  24           HA       VAL  24   4.864  -6.855   1.405
  159    HB   VAL  24           HB       VAL  24   3.650  -5.432  -1.011
  160   1HG1  VAL  24          3HG1      VAL  24   5.763  -4.508   0.976
  161   2HG1  VAL  24          2HG1      VAL  24   5.576  -3.800  -0.618
  162   3HG1  VAL  24          1HG1      VAL  24   4.266  -3.689   0.543
  163   1HG2  VAL  24          3HG2      VAL  24   5.242  -7.357  -1.458
  164   2HG2  VAL  24          2HG2      VAL  24   5.856  -5.814  -2.017
  165   3HG2  VAL  24          1HG2      VAL  24   6.464  -6.513  -0.526
  166    H    CYS  25           H        CYS  25   1.610  -5.959   0.342
  167    HA   CYS  25           HA       CYS  25   0.691  -5.424   3.025
  168   1HB   CYS  25          2HB       CYS  25   1.127  -3.317   3.309
  169   2HB   CYS  25          1HB       CYS  25   2.120  -3.338   1.885
  170    H    GLU  26           H        GLU  26  -1.477  -3.981   2.761
  171    HA   GLU  26           HA       GLU  26  -3.009  -5.284   0.560
  172   1HB   GLU  26          2HB       GLU  26  -3.586  -4.720   3.370
  173   2HB   GLU  26          1HB       GLU  26  -4.944  -4.455   2.327
  174   1HG   GLU  26          2HG       GLU  26  -3.383  -7.066   2.286
  175   2HG   GLU  26          1HG       GLU  26  -4.837  -6.820   3.226
  176    H    GLY  27           H        GLY  27  -4.534  -4.295  -0.571
  177   1HA   GLY  27          2HA       GLY  27  -4.234  -1.713  -1.545
  178   2HA   GLY  27          1HA       GLY  27  -5.732  -2.618  -1.617
  179    H    GLU  28           H        GLU  28  -4.291   0.074  -0.392
  180    HA   GLU  28           HA       GLU  28  -6.298   0.385   1.767
  181   1HB   GLU  28          2HB       GLU  28  -3.474   1.001   1.604
  182   2HB   GLU  28          1HB       GLU  28  -4.337   2.488   1.918
  183   1HG   GLU  28          2HG       GLU  28  -5.622   0.853   3.706
  184   2HG   GLU  28          1HG       GLU  28  -4.078   0.032   3.623
  185    H    SER  29           H        SER  29  -5.159   2.269  -1.072
  186    HA   SER  29           HA       SER  29  -6.873   4.483  -0.304
  187   1HB   SER  29          2HB       SER  29  -4.743   4.625  -1.764
  188   2HB   SER  29          1HB       SER  29  -5.790   4.175  -3.111
  189    HG   SER  29           HG       SER  29  -6.964   6.027  -1.474
  190    H    ASP  30           H        ASP  30  -8.962   3.915  -0.141
  191    HA   ASP  30           HA       ASP  30 -10.390   2.664  -2.400
  192   1HB   ASP  30          2HB       ASP  30 -11.096   2.190  -0.003
  193   2HB   ASP  30          1HB       ASP  30 -11.500   3.886   0.182
  194    HA   PRO  31           HA       PRO  31 -10.250   6.633  -4.268
  195   1HB   PRO  31          2HB       PRO  31 -12.536   6.320  -6.005
  196   2HB   PRO  31          1HB       PRO  31 -10.844   6.061  -6.383
  197   1HG   PRO  31          2HG       PRO  31 -12.924   4.058  -5.888
  198   2HG   PRO  31          1HG       PRO  31 -11.309   3.820  -6.540
  199   1HD   PRO  31          2HD       PRO  31 -12.196   3.092  -3.926
  200   2HD   PRO  31          1HD       PRO  31 -10.520   3.094  -4.504
  201    NH1  ARG  32           NH1      ARG  32 -16.292   6.741  -4.425
  202    NH2  ARG  32           NH2      ARG  32 -18.203   6.358  -3.224
  203    H    ARG  32           H        ARG  32 -10.740   7.721  -2.415
  204    HA   ARG  32           HA       ARG  32 -12.663   9.701  -2.408
  205   1HB   ARG  32          2HB       ARG  32 -13.768   7.139  -1.404
  206   2HB   ARG  32          1HB       ARG  32 -13.821   8.362  -0.159
  207   1HG   ARG  32          2HG       ARG  32 -15.051   9.889  -1.552
  208   2HG   ARG  32          1HG       ARG  32 -14.867   8.864  -2.962
  209   1HD   ARG  32          2HD       ARG  32 -16.286   7.927  -0.424
  210   2HD   ARG  32          1HD       ARG  32 -17.134   8.654  -1.784
  211    HE   ARG  32           HE       ARG  32 -15.721   6.030  -1.830
  212   1HH1  ARG  32          2HH1      ARG  32 -15.314   6.937  -4.395
  213   2HH1  ARG  32          1HH1      ARG  32 -16.771   6.639  -5.296
  214   1HH2  ARG  32          1HH2      ARG  32 -18.648   6.276  -2.334
  215   2HH2  ARG  32          2HH2      ARG  32 -18.735   6.239  -4.062
  216    H    ASN  33           H        ASN  33 -10.806   7.454  -0.493
  217    HA   ASN  33           HA       ASN  33 -10.394   9.364   1.677
  218   1HB   ASN  33          2HB       ASN  33  -9.187   7.535   2.777
  219   2HB   ASN  33          1HB       ASN  33 -10.726   6.979   2.169
  220   1HD2  ASN  33          2HD2      ASN  33  -8.625   4.220   1.317
  221   2HD2  ASN  33          1HD2      ASN  33  -9.560   4.890   2.557
  222    HA   PRO  34           HA       PRO  34  -6.450  10.773   0.167
  223   1HB   PRO  34          2HB       PRO  34  -5.441  11.905   2.491
  224   2HB   PRO  34          1HB       PRO  34  -6.729  12.621   1.535
  225   1HG   PRO  34          2HG       PRO  34  -6.930  11.152   4.136
  226   2HG   PRO  34          1HG       PRO  34  -7.968  12.418   3.494
  227   1HD   PRO  34          2HD       PRO  34  -8.521   9.591   3.440
  228   2HD   PRO  34          1HD       PRO  34  -9.415  10.878   2.609
  229    H    LYS  35           H        LYS  35  -6.470   8.063   0.613
  230    HA   LYS  35           HA       LYS  35  -3.961   7.460   2.108
  231   1HB   LYS  35          2HB       LYS  35  -6.385   5.906   1.236
  232   2HB   LYS  35          1HB       LYS  35  -4.888   5.008   1.207
  233   1HG   LYS  35          2HG       LYS  35  -5.645   4.610   3.341
  234   2HG   LYS  35          1HG       LYS  35  -4.506   5.914   3.618
  235   1HD   LYS  35          2HD       LYS  35  -6.644   7.461   3.353
  236   2HD   LYS  35          1HD       LYS  35  -7.544   5.974   3.589
  237   1HE   LYS  35          2HE       LYS  35  -5.411   6.977   5.524
  238   2HE   LYS  35          1HE       LYS  35  -7.135   7.243   5.726
  239   1HZ   LYS  35          1HZ       LYS  35  -5.911   4.547   5.499
  240   2HZ   LYS  35          3HZ       LYS  35  -6.265   5.330   6.960
  241   3HZ   LYS  35          2HZ       LYS  35  -7.517   4.930   5.888
  242    H    ALA  36           H        ALA  36  -3.840   8.992  -0.156
  243    HA   ALA  36           HA       ALA  36  -2.426   7.225  -2.121
  244   1HB   ALA  36          3HB       ALA  36  -3.823   9.885  -2.604
  245   2HB   ALA  36          2HB       ALA  36  -2.974   8.948  -3.824
  246   3HB   ALA  36          1HB       ALA  36  -4.434   8.309  -3.086
  247    H    CYS  37           H        CYS  37  -0.355   7.606  -2.429
  248    HA   CYS  37           HA       CYS  37   0.876  10.195  -1.591
  249   1HB   CYS  37          2HB       CYS  37   2.210   7.554  -0.947
  250   2HB   CYS  37          1HB       CYS  37   2.513   9.137  -0.291
  251    HA   PRO  38           HA       PRO  38   1.823   8.489  -5.846
  252   1HB   PRO  38          2HB       PRO  38   1.858  11.177  -6.913
  253   2HB   PRO  38          1HB       PRO  38   0.694   9.896  -7.213
  254   1HG   PRO  38          2HG       PRO  38   0.341  12.265  -5.576
  255   2HG   PRO  38          1HG       PRO  38  -0.844  11.025  -5.956
  256   1HD   PRO  38          2HD       PRO  38   0.485  11.441  -3.429
  257   2HD   PRO  38          1HD       PRO  38  -0.661  10.156  -3.845
  258    NH1  ARG  39           NH1      ARG  39   3.045  14.719  -6.158
  259    NH2  ARG  39           NH2      ARG  39   4.271  16.649  -6.122
  260    H    ARG  39           H        ARG  39   3.279  10.857  -3.864
  261    HA   ARG  39           HA       ARG  39   5.755  11.039  -5.403
  262   1HB   ARG  39          2HB       ARG  39   4.483  12.721  -3.594
  263   2HB   ARG  39          1HB       ARG  39   5.702  12.004  -2.566
  264   1HG   ARG  39          2HG       ARG  39   6.838  13.863  -3.436
  265   2HG   ARG  39          1HG       ARG  39   7.379  12.593  -4.512
  266   1HD   ARG  39          2HD       ARG  39   6.724  14.506  -5.881
  267   2HD   ARG  39          1HD       ARG  39   5.501  13.259  -6.115
  268    HE   ARG  39           HE       ARG  39   4.842  15.085  -3.941
  269   1HH1  ARG  39          2HH1      ARG  39   2.920  13.780  -5.836
  270   2HH1  ARG  39          1HH1      ARG  39   2.394  15.118  -6.803
  271   1HH2  ARG  39          1HH2      ARG  39   5.062  17.151  -5.772
  272   2HH2  ARG  39          2HH2      ARG  39   3.644  17.086  -6.766
  273    H    ASN  40           H        ASN  40   4.763   8.463  -4.166
  274    HA   ASN  40           HA       ASN  40   7.261   7.735  -2.679
  275   1HB   ASN  40          2HB       ASN  40   4.440   6.627  -2.401
  276   2HB   ASN  40          1HB       ASN  40   5.848   5.969  -1.582
  277   1HD2  ASN  40          2HD2      ASN  40   5.505   8.257   1.040
  278   2HD2  ASN  40          1HD2      ASN  40   5.973   6.712   0.514
  279    H    CYS  41           H        CYS  41   8.537   6.569  -3.821
  280    HA   CYS  41           HA       CYS  41   7.512   4.820  -5.999
  281   1HB   CYS  41          2HB       CYS  41  10.248   6.049  -5.481
  282   2HB   CYS  41          1HB       CYS  41   9.922   4.949  -6.796
  283    H    ASP  42           H        ASP  42   7.656   2.665  -5.776
  284    HA   ASP  42           HA       ASP  42   9.516   1.516  -3.750
  285   1HB   ASP  42          2HB       ASP  42   7.044   1.739  -3.013
  286   2HB   ASP  42          1HB       ASP  42   6.674   0.503  -4.198
  287    HA   PRO  43           HA       PRO  43  10.126  -0.416  -7.873
  288   1HB   PRO  43          2HB       PRO  43  12.917  -0.812  -7.206
  289   2HB   PRO  43          1HB       PRO  43  12.235   0.277  -8.401
  290   1HG   PRO  43          2HG       PRO  43  13.348   0.949  -5.803
  291   2HG   PRO  43          1HG       PRO  43  12.754   2.049  -7.039
  292   1HD   PRO  43          2HD       PRO  43  11.489   1.379  -4.534
  293   2HD   PRO  43          1HD       PRO  43  10.863   2.448  -5.801
  294    NH1  ARG  44           NH2      ARG  44   9.946  -1.571  -0.423
  295    NH2  ARG  44           NH1      ARG  44  10.578   0.407  -1.376
  296    H    ARG  44           H        ARG  44  10.767  -1.443  -4.674
  297    HA   ARG  44           HA       ARG  44  11.535  -4.168  -5.234
  298   1HB   ARG  44          2HB       ARG  44  10.215  -2.898  -2.779
  299   2HB   ARG  44          1HB       ARG  44  10.770  -4.553  -2.828
  300   1HG   ARG  44          2HG       ARG  44  12.711  -3.635  -1.994
  301   2HG   ARG  44          1HG       ARG  44  13.060  -3.383  -3.687
  302   1HD   ARG  44          2HD       ARG  44  13.481  -1.254  -2.748
  303   2HD   ARG  44          1HD       ARG  44  11.839  -1.040  -3.325
  304    HE   ARG  44           HE       ARG  44  12.626  -1.497  -0.487
  305   1HH1  ARG  44          1HH2      ARG  44  10.181  -2.506  -0.156
  306   2HH1  ARG  44          2HH2      ARG  44   9.031  -1.213  -0.240
  307   1HH2  ARG  44          2HH1      ARG  44  11.285   0.954  -1.824
  308   2HH2  ARG  44          1HH1      ARG  44   9.672   0.798  -1.209
  309    H    ILE  45           H        ILE  45   8.505  -2.525  -4.588
  310    HA   ILE  45           HA       ILE  45   6.800  -4.826  -4.762
  311    HB   ILE  45           HB       ILE  45   6.524  -2.074  -4.128
  312   1HG1  ILE  45          2HG1      ILE  45   4.092  -3.840  -4.478
  313   2HG1  ILE  45          1HG1      ILE  45   5.289  -4.207  -3.255
  314   1HG2  ILE  45          1HG2      ILE  45   6.067  -1.551  -6.526
  315   2HG2  ILE  45          3HG2      ILE  45   4.651  -2.590  -6.463
  316   3HG2  ILE  45          2HG2      ILE  45   4.730  -1.149  -5.463
  317   1HD1  ILE  45          2HD1      ILE  45   4.983  -1.584  -2.676
  318   2HD1  ILE  45          1HD1      ILE  45   3.406  -1.887  -3.385
  319   3HD1  ILE  45          3HD1      ILE  45   3.942  -2.815  -1.995
  320    H    ALA  46           H        ALA  46   5.374  -5.355  -6.521
  321    HA   ALA  46           HA       ALA  46   6.486  -4.686  -9.217
  322   1HB   ALA  46          2HB       ALA  46   6.799  -7.049  -8.407
  323   2HB   ALA  46          1HB       ALA  46   5.058  -7.237  -8.390
  324   3HB   ALA  46          3HB       ALA  46   5.900  -6.926  -9.906
  325    OH   TYR  47           OH       TYR  47   3.851 -10.598 -10.020
  326    H    TYR  47           H        TYR  47   3.618  -5.508  -7.360
  327    HA   TYR  47           HA       TYR  47   1.925  -3.580  -8.642
  328   1HB   TYR  47          2HB       TYR  47   0.424  -5.513  -9.801
  329   2HB   TYR  47          1HB       TYR  47   1.798  -4.854 -10.652
  330    HD1  TYR  47           HD1      TYR  47   1.024  -7.587  -8.177
  331    HD2  TYR  47           HD2      TYR  47   3.363  -6.359 -11.519
  332    HE1  TYR  47           HE1      TYR  47   2.040  -9.808  -8.288
  333    HE2  TYR  47           HE2      TYR  47   4.377  -8.580 -11.626
  334    HH   TYR  47           HH       TYR  47   4.642 -10.585  -9.476
  335    H    GLY  48           H        GLY  48  -0.508  -4.780  -8.413
  336   1HA   GLY  48          2HA       GLY  48  -0.667  -5.724  -5.577
  337   2HA   GLY  48          1HA       GLY  48  -1.751  -4.472  -6.202
  338    H    ILE  49           H        ILE  49  -1.545  -7.704  -5.593
  339    HA   ILE  49           HA       ILE  49  -2.970  -8.705  -7.952
  340    HB   ILE  49           HB       ILE  49  -2.447  -9.984  -5.217
  341   1HG1  ILE  49          2HG1      ILE  49  -0.320  -9.598  -6.327
  342   2HG1  ILE  49          1HG1      ILE  49  -0.690 -11.299  -6.415
  343   1HG2  ILE  49          2HG2      ILE  49  -3.701 -11.097  -7.738
  344   2HG2  ILE  49          1HG2      ILE  49  -2.877 -12.157  -6.605
  345   3HG2  ILE  49          3HG2      ILE  49  -4.264 -11.224  -6.082
  346   1HD1  ILE  49          2HD1      ILE  49  -1.742 -10.673  -8.784
  347   2HD1  ILE  49          1HD1      ILE  49  -0.714  -9.259  -8.634
  348   3HD1  ILE  49          3HD1      ILE  49  -0.011 -10.867  -8.614
  349    H    CYS  50           H        CYS  50  -4.945  -8.049  -8.281
  350    HA   CYS  50           HA       CYS  50  -6.800  -7.537  -6.026
  351   1HB   CYS  50          2HB       CYS  50  -7.559  -7.016  -8.867
  352   2HB   CYS  50          1HB       CYS  50  -7.968  -6.120  -7.429
  353    HA   PRO  51           HA       PRO  51  -9.224 -11.174  -7.178
  354   1HB   PRO  51          2HB       PRO  51 -11.725 -10.188  -6.246
  355   2HB   PRO  51          1HB       PRO  51 -10.579 -11.160  -5.339
  356   1HG   PRO  51          2HG       PRO  51 -11.164  -8.293  -5.051
  357   2HG   PRO  51          1HG       PRO  51 -10.282  -9.347  -3.959
  358   1HD   PRO  51          2HD       PRO  51  -9.164  -7.376  -5.736
  359   2HD   PRO  51          1HD       PRO  51  -8.272  -8.528  -4.727
  360    H    LEU  52           H        LEU  52  -8.930 -10.803  -9.364
  361    HA   LEU  52           HA       LEU  52 -11.061  -9.266 -10.802
  362   1HB   LEU  52          2HB       LEU  52  -8.683  -8.473 -11.082
  363   2HB   LEU  52          1HB       LEU  52  -8.266 -10.023 -11.772
  364    HG   LEU  52           HG       LEU  52 -10.644  -8.663 -13.029
  365   1HD1  LEU  52          1HD1      LEU  52  -7.820  -7.574 -13.407
  366   2HD1  LEU  52          3HD1      LEU  52  -9.220  -7.128 -14.370
  367   3HD1  LEU  52          2HD1      LEU  52  -9.162  -6.715 -12.666
  368   1HD2  LEU  52          3HD2      LEU  52  -8.167 -10.087 -14.110
  369   2HD2  LEU  52          2HD2      LEU  52  -9.788 -10.753 -13.997
  370   3HD2  LEU  52          1HD2      LEU  52  -9.456  -9.448 -15.117
  371    H    ALA  53           H        ALA  53  -8.873 -12.014 -11.302
  372    HA   ALA  53           HA       ALA  53 -10.545 -13.318 -13.235
  373   1HB   ALA  53          2HB       ALA  53  -8.321 -14.445 -11.484
  374   2HB   ALA  53          1HB       ALA  53  -9.001 -15.250 -12.891
  375   3HB   ALA  53          3HB       ALA  53  -8.121 -13.743 -13.081
   
  Start of MODEL          15
 Raw file had  375 H/Q atoms
  Start of MODEL   15
    1   1H    ASP   1          3H        ASP   1  10.994  -1.528 -12.436
    2   2H    ASP   1          2H        ASP   1  12.207  -2.709 -12.297
    3   3H    ASP   1          1H        ASP   1  11.406  -2.146 -10.910
    4    HA   ASP   1           HA       ASP   1  13.468  -1.080 -10.894
    5   1HB   ASP   1          2HB       ASP   1  14.182  -1.520 -13.199
    6   2HB   ASP   1          1HB       ASP   1  12.885  -0.536 -13.851
    7    NH1  ARG   2           NH1      ARG   2   8.596   6.965 -15.348
    8    NH2  ARG   2           NH2      ARG   2  10.292   8.459 -15.676
    9    H    ARG   2           H        ARG   2  11.426   0.661 -13.175
   10    HA   ARG   2           HA       ARG   2  11.146   2.908 -11.268
   11   1HB   ARG   2          2HB       ARG   2  11.768   3.118 -13.779
   12   2HB   ARG   2          1HB       ARG   2  10.089   2.758 -14.127
   13   1HG   ARG   2          2HG       ARG   2   9.316   4.767 -13.130
   14   2HG   ARG   2          1HG       ARG   2  10.754   4.959 -12.145
   15   1HD   ARG   2          2HD       ARG   2  12.085   5.617 -14.057
   16   2HD   ARG   2          1HD       ARG   2  10.806   5.168 -15.182
   17    HE   ARG   2           HE       ARG   2  10.546   7.413 -13.211
   18   1HH1  ARG   2          2HH1      ARG   2   8.227   6.191 -14.833
   19   2HH1  ARG   2          1HH1      ARG   2   8.072   7.364 -16.101
   20   1HH2  ARG   2          1HH2      ARG   2  11.191   8.807 -15.408
   21   2HH2  ARG   2          2HH2      ARG   2   9.798   8.883 -16.435
   22    H    ILE   3           H        ILE   3   9.925   0.812 -10.287
   23    HA   ILE   3           HA       ILE   3   7.116   0.570 -11.012
   24    HB   ILE   3           HB       ILE   3   8.332  -0.235  -8.353
   25   1HG1  ILE   3          2HG1      ILE   3   9.976  -1.040  -9.885
   26   2HG1  ILE   3          1HG1      ILE   3   9.064  -2.383  -9.252
   27   1HG2  ILE   3          3HG2      ILE   3   5.839  -0.815  -9.723
   28   2HG2  ILE   3          2HG2      ILE   3   6.667  -2.295  -9.288
   29   3HG2  ILE   3          1HG2      ILE   3   6.305  -1.105  -8.055
   30   1HD1  ILE   3          3HD1      ILE   3   7.597  -2.161 -11.431
   31   2HD1  ILE   3          2HD1      ILE   3   8.909  -1.161 -12.036
   32   3HD1  ILE   3          1HD1      ILE   3   9.208  -2.835 -11.602
   33    H    CYS   4           H        CYS   4   6.348   2.733 -10.907
   34    HA   CYS   4           HA       CYS   4   6.698   4.138  -8.385
   35   1HB   CYS   4          2HB       CYS   4   5.767   4.844 -11.107
   36   2HB   CYS   4          1HB       CYS   4   5.094   5.820  -9.825
   37    H    THR   5           H        THR   5   5.138   1.815  -8.419
   38    HA   THR   5           HA       THR   5   2.389   2.688  -7.656
   39    HB   THR   5           HB       THR   5   2.335   0.015  -7.059
   40    HG1  THR   5           HG1      THR   5   4.481   0.388  -8.875
   41   1HG2  THR   5          1HG2      THR   5   2.521   1.075  -9.911
   42   2HG2  THR   5          3HG2      THR   5   1.830  -0.477  -9.440
   43   3HG2  THR   5          2HG2      THR   5   1.056   1.019  -8.939
   44    H    ASN   6           H        ASN   6   1.674   1.930  -5.408
   45    HA   ASN   6           HA       ASN   6   3.826   1.467  -3.468
   46   1HB   ASN   6          2HB       ASN   6   3.454   3.587  -2.194
   47   2HB   ASN   6          1HB       ASN   6   4.138   3.869  -3.783
   48   1HD2  ASN   6          2HD2      ASN   6   1.441   6.335  -3.312
   49   2HD2  ASN   6          1HD2      ASN   6   2.951   5.970  -2.626
   50    H    CYS   7           H        CYS   7   3.160   0.966  -1.426
   51    HA   CYS   7           HA       CYS   7   0.601  -0.273  -1.154
   52   1HB   CYS   7          2HB       CYS   7   2.400  -1.172   0.090
   53   2HB   CYS   7          1HB       CYS   7   2.875   0.386   0.704
   54    H    CYS   8           H        CYS   8   1.707   2.918  -0.583
   55    HA   CYS   8           HA       CYS   8  -0.345   3.734   1.310
   56   1HB   CYS   8          2HB       CYS   8   1.837   4.789   1.266
   57   2HB   CYS   8          1HB       CYS   8   1.667   5.223  -0.404
   58    H    ALA   9           H        ALA   9   0.391   4.907  -1.927
   59    HA   ALA   9           HA       ALA   9  -2.458   5.575  -2.405
   60   1HB   ALA   9          3HB       ALA   9  -0.351   7.052  -3.000
   61   2HB   ALA   9          2HB       ALA   9  -0.227   6.025  -4.416
   62   3HB   ALA   9          1HB       ALA   9  -1.678   6.966  -4.149
   63    H    GLY  10           H        GLY  10  -2.287   2.968  -2.143
   64   1HA   GLY  10          2HA       GLY  10  -1.749   1.548  -4.609
   65   2HA   GLY  10          1HA       GLY  10  -2.489   0.868  -3.168
   66    H    THR  11           H        THR  11  -4.426   0.164  -3.535
   67    HA   THR  11           HA       THR  11  -6.519   1.720  -4.846
   68    HB   THR  11           HB       THR  11  -6.882  -0.672  -6.295
   69    HG1  THR  11           HG1      THR  11  -4.972  -1.469  -6.775
   70   1HG2  THR  11          1HG2      THR  11  -6.761   1.798  -7.191
   71   2HG2  THR  11          3HG2      THR  11  -5.038   1.510  -7.375
   72   3HG2  THR  11          2HG2      THR  11  -6.191   0.528  -8.259
   73    H    LYS  12           H        LYS  12  -7.811   1.556  -3.077
   74    HA   LYS  12           HA       LYS  12  -8.017  -0.406  -1.177
   75   1HB   LYS  12          2HB       LYS  12  -9.497   1.840  -1.768
   76   2HB   LYS  12          1HB       LYS  12 -10.690   0.597  -2.044
   77   1HG   LYS  12          2HG       LYS  12 -10.008  -0.389   0.243
   78   2HG   LYS  12          1HG       LYS  12  -9.082   1.078   0.489
   79   1HD   LYS  12          2HD       LYS  12 -11.051   1.803   1.440
   80   2HD   LYS  12          1HD       LYS  12 -11.440   2.221  -0.217
   81   1HE   LYS  12          2HE       LYS  12 -12.622   0.052  -0.488
   82   2HE   LYS  12          1HE       LYS  12 -12.242  -0.355   1.183
   83   1HZ   LYS  12          2HZ       LYS  12 -13.356   2.214   1.072
   84   2HZ   LYS  12          1HZ       LYS  12 -14.378   1.137   0.245
   85   3HZ   LYS  12          3HZ       LYS  12 -13.948   0.832   1.862
   86    H    GLY  13           H        GLY  13  -7.974  -2.463  -1.506
   87   1HA   GLY  13          2HA       GLY  13  -9.647  -4.374  -1.723
   88   2HA   GLY  13          1HA       GLY  13  -9.969  -3.764  -3.335
   89    H    CYS  14           H        CYS  14  -7.061  -3.180  -3.794
   90    HA   CYS  14           HA       CYS  14  -6.351  -5.846  -4.744
   91   1HB   CYS  14          2HB       CYS  14  -5.040  -3.131  -4.998
   92   2HB   CYS  14          1HB       CYS  14  -4.352  -4.581  -5.679
   93    H    LYS  15           H        LYS  15  -4.309  -6.835  -4.354
   94    HA   LYS  15           HA       LYS  15  -3.267  -6.302  -1.602
   95   1HB   LYS  15          2HB       LYS  15  -3.167  -8.925  -3.137
   96   2HB   LYS  15          1HB       LYS  15  -2.778  -8.672  -1.450
   97   1HG   LYS  15          2HG       LYS  15  -5.256  -7.761  -1.264
   98   2HG   LYS  15          1HG       LYS  15  -5.496  -8.580  -2.793
   99   1HD   LYS  15          2HD       LYS  15  -4.658 -10.702  -1.741
  100   2HD   LYS  15          1HD       LYS  15  -4.533  -9.862  -0.208
  101   1HE   LYS  15          2HE       LYS  15  -7.181  -9.332  -1.203
  102   2HE   LYS  15          1HE       LYS  15  -6.890 -11.048  -1.430
  103   1HZ   LYS  15          1HZ       LYS  15  -6.325  -9.654   1.101
  104   2HZ   LYS  15          3HZ       LYS  15  -7.831 -10.362   0.760
  105   3HZ   LYS  15          2HZ       LYS  15  -6.433 -11.327   0.835
  106    OH   TYR  16           OH       TYR  16  -0.320   0.463  -5.955
  107    H    TYR  16           H        TYR  16  -1.637  -4.898  -2.054
  108    HA   TYR  16           HA       TYR  16   0.225  -5.015  -4.156
  109   1HB   TYR  16          2HB       TYR  16   0.143  -3.716  -1.459
  110   2HB   TYR  16          1HB       TYR  16   1.738  -3.864  -2.182
  111    HD1  TYR  16           HD2      TYR  16  -1.786  -2.904  -3.275
  112    HD2  TYR  16           HD1      TYR  16   2.404  -2.222  -3.581
  113    HE1  TYR  16           HE2      TYR  16  -2.190  -1.044  -4.822
  114    HE2  TYR  16           HE1      TYR  16   2.008  -0.382  -5.105
  115    HH   TYR  16           HH       TYR  16  -1.247   0.444  -6.201
  116    H    PHE  17           H        PHE  17   1.853  -6.228  -4.648
  117    HA   PHE  17           HA       PHE  17   3.258  -7.822  -2.615
  118   1HB   PHE  17          2HB       PHE  17   1.692  -9.402  -3.157
  119   2HB   PHE  17          1HB       PHE  17   1.383  -8.768  -4.752
  120    HD1  PHE  17           HD2      PHE  17   3.421  -9.085  -6.464
  121    HD2  PHE  17           HD1      PHE  17   2.737 -11.464  -2.998
  122    HE1  PHE  17           HE2      PHE  17   4.718 -10.893  -7.442
  123    HE2  PHE  17           HE1      PHE  17   4.031 -13.272  -3.969
  124    HZ   PHE  17           HZ       PHE  17   5.040 -12.995  -6.227
  125    H    SER  18           H        SER  18   5.175  -8.773  -3.373
  126    HA   SER  18           HA       SER  18   6.558  -7.170  -5.455
  127   1HB   SER  18          2HB       SER  18   7.588  -6.780  -3.333
  128   2HB   SER  18          1HB       SER  18   7.595  -8.498  -2.924
  129    HG   SER  18           HG       SER  18   9.145  -7.043  -4.681
  130    H    ASP  19           H        ASP  19   7.313  -8.103  -7.103
  131    HA   ASP  19           HA       ASP  19   6.774 -10.538  -8.208
  132   1HB   ASP  19          2HB       ASP  19   8.694 -10.152  -9.733
  133   2HB   ASP  19          1HB       ASP  19   7.771  -8.690  -9.496
  134    H    ASP  20           H        ASP  20   9.253 -10.029  -5.835
  135    HA   ASP  20           HA       ASP  20  11.016 -12.151  -6.367
  136   1HB   ASP  20          2HB       ASP  20  11.718 -11.930  -4.082
  137   2HB   ASP  20          1HB       ASP  20  11.130 -10.334  -4.510
  138    H    GLY  21           H        GLY  21   7.842 -12.188  -5.021
  139   1HA   GLY  21          2HA       GLY  21   6.500 -14.263  -5.408
  140   2HA   GLY  21          1HA       GLY  21   7.871 -15.168  -4.765
  141    H    THR  22           H        THR  22   6.824 -12.051  -3.494
  142    HA   THR  22           HA       THR  22   5.529 -13.369  -1.182
  143    HB   THR  22           HB       THR  22   7.937 -11.525  -1.006
  144    HG1  THR  22           HG1      THR  22   8.761 -13.424  -1.135
  145   1HG2  THR  22          2HG2      THR  22   6.032 -12.669   1.123
  146   2HG2  THR  22          1HG2      THR  22   7.705 -12.321   1.529
  147   3HG2  THR  22          3HG2      THR  22   6.644 -11.025   1.016
  148    H    PHE  23           H        PHE  23   4.092 -12.191  -0.121
  149    HA   PHE  23           HA       PHE  23   2.868  -9.940  -1.451
  150   1HB   PHE  23          2HB       PHE  23   1.466 -11.513  -0.368
  151   2HB   PHE  23          1HB       PHE  23   2.448 -11.537   1.068
  152    HD1  PHE  23           HD2      PHE  23   2.269  -9.685   2.741
  153    HD2  PHE  23           HD1      PHE  23  -0.236  -9.784  -0.710
  154    HE1  PHE  23           HE2      PHE  23   0.777  -8.036   3.772
  155    HE2  PHE  23           HE1      PHE  23  -1.721  -8.137   0.332
  156    HZ   PHE  23           HZ       PHE  23  -1.221  -7.260   2.569
  157    H    VAL  24           H        VAL  24   2.617  -7.806  -0.556
  158    HA   VAL  24           HA       VAL  24   4.833  -6.972   1.266
  159    HB   VAL  24           HB       VAL  24   3.607  -5.513  -1.125
  160   1HG1  VAL  24          2HG1      VAL  24   5.726  -4.687   0.886
  161   2HG1  VAL  24          1HG1      VAL  24   5.625  -3.962  -0.708
  162   3HG1  VAL  24          3HG1      VAL  24   4.278  -3.806   0.404
  163   1HG2  VAL  24          1HG2      VAL  24   5.218  -7.486  -1.583
  164   2HG2  VAL  24          3HG2      VAL  24   5.687  -5.940  -2.261
  165   3HG2  VAL  24          2HG2      VAL  24   6.461  -6.531  -0.800
  166    H    CYS  25           H        CYS  25   1.652  -5.992   0.100
  167    HA   CYS  25           HA       CYS  25   0.510  -5.585   2.696
  168   1HB   CYS  25          2HB       CYS  25   1.096  -3.569   3.220
  169   2HB   CYS  25          1HB       CYS  25   2.107  -3.453   1.813
  170    H    GLU  26           H        GLU  26  -1.451  -3.798   2.192
  171    HA   GLU  26           HA       GLU  26  -2.751  -4.689  -0.344
  172   1HB   GLU  26          2HB       GLU  26  -3.663  -4.751   2.509
  173   2HB   GLU  26          1HB       GLU  26  -4.859  -4.264   1.337
  174   1HG   GLU  26          2HG       GLU  26  -4.977  -6.321   0.327
  175   2HG   GLU  26          1HG       GLU  26  -3.264  -6.646   0.494
  176    H    GLY  27           H        GLY  27  -3.596  -3.132  -1.538
  177   1HA   GLY  27          2HA       GLY  27  -2.888  -0.438  -1.301
  178   2HA   GLY  27          1HA       GLY  27  -4.247  -1.023  -2.260
  179    H    GLU  28           H        GLU  28  -3.357   0.846   0.346
  180    HA   GLU  28           HA       GLU  28  -5.993   0.716   1.714
  181   1HB   GLU  28          2HB       GLU  28  -3.293   1.893   2.426
  182   2HB   GLU  28          1HB       GLU  28  -4.724   2.289   3.357
  183   1HG   GLU  28          2HG       GLU  28  -4.855   0.221   4.339
  184   2HG   GLU  28          1HG       GLU  28  -4.384  -0.636   2.887
  185    H    SER  29           H        SER  29  -5.110   2.225  -0.942
  186    HA   SER  29           HA       SER  29  -5.741   4.987  -0.311
  187   1HB   SER  29          2HB       SER  29  -5.653   5.195  -2.829
  188   2HB   SER  29          1HB       SER  29  -4.226   4.371  -2.190
  189    HG   SER  29           HG       SER  29  -5.327   2.403  -2.564
  190    H    ASP  30           H        ASP  30  -7.739   4.977   0.650
  191    HA   ASP  30           HA       ASP  30 -10.055   3.743  -0.630
  192   1HB   ASP  30          2HB       ASP  30 -10.082   3.768   1.786
  193   2HB   ASP  30          1HB       ASP  30  -9.689   5.468   1.847
  194    HA   PRO  31           HA       PRO  31 -10.929   7.424  -3.059
  195   1HB   PRO  31          2HB       PRO  31 -13.639   6.777  -3.633
  196   2HB   PRO  31          1HB       PRO  31 -12.231   6.356  -4.589
  197   1HG   PRO  31          2HG       PRO  31 -13.857   4.612  -2.864
  198   2HG   PRO  31          1HG       PRO  31 -12.690   4.162  -4.099
  199   1HD   PRO  31          2HD       PRO  31 -12.316   4.061  -1.258
  200   2HD   PRO  31          1HD       PRO  31 -11.094   3.746  -2.503
  201    NH1  ARG  32           NH1      ARG  32 -16.573   7.544  -0.610
  202    NH2  ARG  32           NH2      ARG  32 -18.068   7.586   1.119
  203    H    ARG  32           H        ARG  32 -10.676   8.575  -1.085
  204    HA   ARG  32           HA       ARG  32 -12.398  10.580  -0.510
  205   1HB   ARG  32          2HB       ARG  32 -13.439   8.141   0.800
  206   2HB   ARG  32          1HB       ARG  32 -12.987   9.315   2.008
  207   1HG   ARG  32          2HG       ARG  32 -14.318  11.051   0.785
  208   2HG   ARG  32          1HG       ARG  32 -14.842   9.817  -0.347
  209   1HD   ARG  32          2HD       ARG  32 -15.325   9.746   2.669
  210   2HD   ARG  32          1HD       ARG  32 -16.535  10.148   1.457
  211    HE   ARG  32           HE       ARG  32 -15.384   7.458   1.938
  212   1HH1  ARG  32          2HH1      ARG  32 -15.636   7.679  -0.931
  213   2HH1  ARG  32          1HH1      ARG  32 -17.287   7.256  -1.249
  214   1HH2  ARG  32          1HH2      ARG  32 -18.248   7.752   2.090
  215   2HH2  ARG  32          2HH2      ARG  32 -18.810   7.296   0.516
  216    H    ASN  33           H        ASN  33 -10.225   8.238   1.016
  217    HA   ASN  33           HA       ASN  33  -9.305  10.212   2.953
  218   1HB   ASN  33          2HB       ASN  33  -7.841   8.506   3.809
  219   2HB   ASN  33          1HB       ASN  33  -9.396   7.788   3.478
  220   1HD2  ASN  33          2HD2      ASN  33  -7.048   5.268   2.389
  221   2HD2  ASN  33          1HD2      ASN  33  -7.665   5.956   3.803
  222    HA   PRO  34           HA       PRO  34  -5.875  11.777   0.499
  223   1HB   PRO  34          2HB       PRO  34  -4.433  12.856   2.675
  224   2HB   PRO  34          1HB       PRO  34  -5.648  13.694   1.725
  225   1HG   PRO  34          2HG       PRO  34  -5.875  12.633   4.470
  226   2HG   PRO  34          1HG       PRO  34  -6.903  13.802   3.653
  227   1HD   PRO  34          2HD       PRO  34  -7.505  11.032   4.146
  228   2HD   PRO  34          1HD       PRO  34  -8.463  12.176   3.187
  229    H    LYS  35           H        LYS  35  -5.147   9.776  -0.070
  230    HA   LYS  35           HA       LYS  35  -3.583   8.060   1.696
  231   1HB   LYS  35          2HB       LYS  35  -3.325   6.671  -0.364
  232   2HB   LYS  35          1HB       LYS  35  -4.989   7.101  -0.050
  233   1HG   LYS  35          2HG       LYS  35  -3.867   9.193  -1.715
  234   2HG   LYS  35          1HG       LYS  35  -3.370   7.666  -2.398
  235   1HD   LYS  35          2HD       LYS  35  -6.064   7.179  -1.900
  236   2HD   LYS  35          1HD       LYS  35  -6.078   8.899  -2.225
  237   1HE   LYS  35          2HE       LYS  35  -4.786   6.828  -4.059
  238   2HE   LYS  35          1HE       LYS  35  -6.383   7.518  -4.305
  239   1HZ   LYS  35          1HZ       LYS  35  -3.917   9.136  -4.096
  240   2HZ   LYS  35          3HZ       LYS  35  -4.569   8.594  -5.567
  241   3HZ   LYS  35          2HZ       LYS  35  -5.459   9.657  -4.585
  242    H    ALA  36           H        ALA  36  -2.195  10.015   2.172
  243    HA   ALA  36           HA       ALA  36   0.152  10.190   0.326
  244   1HB   ALA  36          1HB       ALA  36  -0.899  12.208   2.353
  245   2HB   ALA  36          3HB       ALA  36   0.557  12.414   1.389
  246   3HB   ALA  36          2HB       ALA  36  -1.014  12.349   0.606
  247    H    CYS  37           H        CYS  37   2.066   9.621   1.093
  248    HA   CYS  37           HA       CYS  37   2.647   9.430   3.962
  249   1HB   CYS  37          2HB       CYS  37   3.133   6.945   2.336
  250   2HB   CYS  37          1HB       CYS  37   2.960   7.092   4.059
  251    HA   PRO  38           HA       PRO  38   6.871   9.630   2.180
  252   1HB   PRO  38          2HB       PRO  38   8.154   8.089   4.227
  253   2HB   PRO  38          1HB       PRO  38   8.063   9.838   4.122
  254   1HG   PRO  38          2HG       PRO  38   6.649   8.073   5.965
  255   2HG   PRO  38          1HG       PRO  38   6.703   9.828   5.967
  256   1HD   PRO  38          2HD       PRO  38   4.517   8.121   5.112
  257   2HD   PRO  38          1HD       PRO  38   4.550   9.891   5.154
  258    NH1  ARG  39           NH2      ARG  39   8.846   3.910   2.217
  259    NH2  ARG  39           NH1      ARG  39   9.215   2.067   0.911
  260    H    ARG  39           H        ARG  39   5.640   8.217   0.645
  261    HA   ARG  39           HA       ARG  39   7.093   5.761   0.189
  262   1HB   ARG  39          2HB       ARG  39   5.202   5.091   1.824
  263   2HB   ARG  39          1HB       ARG  39   4.053   5.615   0.617
  264   1HG   ARG  39          2HG       ARG  39   4.160   3.331   0.128
  265   2HG   ARG  39          1HG       ARG  39   5.377   3.928  -0.980
  266   1HD   ARG  39          2HD       ARG  39   6.030   2.909   1.823
  267   2HD   ARG  39          1HD       ARG  39   6.108   1.915   0.371
  268    HE   ARG  39           HE       ARG  39   7.665   4.045  -0.334
  269   1HH1  ARG  39          1HH2      ARG  39   8.311   4.734   2.405
  270   2HH1  ARG  39          2HH2      ARG  39   9.615   3.671   2.809
  271   1HH2  ARG  39          2HH1      ARG  39   8.931   1.531   0.119
  272   2HH2  ARG  39          1HH1      ARG  39   9.996   1.784   1.467
  273    H    ASN  40           H        ASN  40   7.578   7.358  -1.428
  274    HA   ASN  40           HA       ASN  40   5.526   7.622  -3.587
  275   1HB   ASN  40          2HB       ASN  40   8.041   9.221  -2.935
  276   2HB   ASN  40          1HB       ASN  40   7.099   9.457  -4.402
  277   1HD2  ASN  40          1HD2      ASN  40   5.993  11.387  -4.050
  278   2HD2  ASN  40          2HD2      ASN  40   5.059  11.734  -2.676
  279    H    CYS  41           H        CYS  41   5.694   6.135  -5.020
  280    HA   CYS  41           HA       CYS  41   6.416   4.604  -6.532
  281   1HB   CYS  41          2HB       CYS  41   8.878   6.422  -6.494
  282   2HB   CYS  41          1HB       CYS  41   8.688   5.137  -7.647
  283    H    ASP  42           H        ASP  42   6.651   2.627  -5.744
  284    HA   ASP  42           HA       ASP  42   9.015   1.918  -4.111
  285   1HB   ASP  42          2HB       ASP  42   6.545   1.750  -3.227
  286   2HB   ASP  42          1HB       ASP  42   6.435   0.345  -4.253
  287    HA   PRO  43           HA       PRO  43  10.300  -0.407  -7.878
  288   1HB   PRO  43          2HB       PRO  43  12.774  -0.441  -6.274
  289   2HB   PRO  43          1HB       PRO  43  12.532  -0.018  -7.960
  290   1HG   PRO  43          2HG       PRO  43  12.934   1.819  -5.876
  291   2HG   PRO  43          1HG       PRO  43  12.252   2.223  -7.445
  292   1HD   PRO  43          2HD       PRO  43  10.905   2.081  -4.846
  293   2HD   PRO  43          1HD       PRO  43  10.279   2.732  -6.373
  294    NH1  ARG  44           NH2      ARG  44   8.324  -2.155  -0.313
  295    NH2  ARG  44           NH1      ARG  44  10.054  -0.755   0.177
  296    H    ARG  44           H        ARG  44  10.634  -1.015  -4.456
  297    HA   ARG  44           HA       ARG  44  11.407  -3.730  -4.473
  298   1HB   ARG  44          2HB       ARG  44  10.674  -1.829  -2.540
  299   2HB   ARG  44          1HB       ARG  44   9.435  -3.056  -2.379
  300   1HG   ARG  44          2HG       ARG  44  10.960  -4.748  -1.789
  301   2HG   ARG  44          1HG       ARG  44  12.340  -3.868  -2.423
  302   1HD   ARG  44          2HD       ARG  44  12.294  -3.766   0.062
  303   2HD   ARG  44          1HD       ARG  44  12.099  -2.157  -0.616
  304    HE   ARG  44           HE       ARG  44  10.066  -3.693   0.853
  305   1HH1  ARG  44          1HH2      ARG  44   7.976  -3.086  -0.419
  306   2HH1  ARG  44          2HH2      ARG  44   7.719  -1.373  -0.467
  307   1HH2  ARG  44          2HH1      ARG  44  11.009  -0.628   0.446
  308   2HH2  ARG  44          1HH1      ARG  44   9.464   0.036   0.019
  309    H    ILE  45           H        ILE  45   8.239  -2.271  -4.586
  310    HA   ILE  45           HA       ILE  45   6.763  -4.768  -4.721
  311    HB   ILE  45           HB       ILE  45   6.166  -1.809  -4.825
  312   1HG1  ILE  45          2HG1      ILE  45   4.485  -3.876  -3.419
  313   2HG1  ILE  45          1HG1      ILE  45   6.116  -3.628  -2.839
  314   1HG2  ILE  45          3HG2      ILE  45   4.101  -3.848  -5.775
  315   2HG2  ILE  45          2HG2      ILE  45   3.779  -2.160  -5.422
  316   3HG2  ILE  45          1HG2      ILE  45   4.816  -2.583  -6.765
  317   1HD1  ILE  45          1HD1      ILE  45   4.528  -1.124  -3.292
  318   2HD1  ILE  45          3HD1      ILE  45   4.027  -2.141  -1.954
  319   3HD1  ILE  45          2HD1      ILE  45   5.662  -1.517  -2.010
  320    H    ALA  46           H        ALA  46   5.419  -5.326  -6.519
  321    HA   ALA  46           HA       ALA  46   6.668  -4.721  -9.173
  322   1HB   ALA  46          3HB       ALA  46   5.519  -7.327  -8.102
  323   2HB   ALA  46          2HB       ALA  46   6.016  -7.075  -9.772
  324   3HB   ALA  46          1HB       ALA  46   7.196  -6.965  -8.480
  325    OH   TYR  47           OH       TYR  47   4.092 -10.983  -9.825
  326    H    TYR  47           H        TYR  47   3.755  -5.704  -7.455
  327    HA   TYR  47           HA       TYR  47   2.048  -3.897  -8.885
  328   1HB   TYR  47          2HB       TYR  47   0.682  -5.890 -10.038
  329   2HB   TYR  47          1HB       TYR  47   2.105  -5.273 -10.837
  330    HD1  TYR  47           HD2      TYR  47   1.096  -7.923  -8.366
  331    HD2  TYR  47           HD1      TYR  47   3.804  -6.777 -11.452
  332    HE1  TYR  47           HE2      TYR  47   2.107 -10.150  -8.317
  333    HE2  TYR  47           HE1      TYR  47   4.806  -9.007 -11.395
  334    HH   TYR  47           HH       TYR  47   4.987 -10.892  -9.490
  335    H    GLY  48           H        GLY  48  -0.380  -5.066  -8.685
  336   1HA   GLY  48          2HA       GLY  48  -0.583  -5.934  -5.825
  337   2HA   GLY  48          1HA       GLY  48  -1.680  -4.752  -6.532
  338    H    ILE  49           H        ILE  49  -1.325  -7.927  -5.737
  339    HA   ILE  49           HA       ILE  49  -2.806  -9.143  -7.949
  340    HB   ILE  49           HB       ILE  49  -2.097 -10.152  -5.142
  341   1HG1  ILE  49          2HG1      ILE  49  -0.053  -9.803  -6.436
  342   2HG1  ILE  49          1HG1      ILE  49  -0.354 -11.516  -6.304
  343   1HG2  ILE  49          3HG2      ILE  49  -3.468 -11.534  -7.465
  344   2HG2  ILE  49          2HG2      ILE  49  -2.520 -12.462  -6.315
  345   3HG2  ILE  49          1HG2      ILE  49  -3.902 -11.537  -5.765
  346   1HD1  ILE  49          3HD1      ILE  49  -1.576 -11.211  -8.653
  347   2HD1  ILE  49          2HD1      ILE  49  -0.613  -9.746  -8.732
  348   3HD1  ILE  49          1HD1      ILE  49   0.172 -11.308  -8.581
  349    H    CYS  50           H        CYS  50  -4.676  -8.041  -8.123
  350    HA   CYS  50           HA       CYS  50  -6.404  -7.523  -5.826
  351   1HB   CYS  50          2HB       CYS  50  -7.174  -7.145  -8.714
  352   2HB   CYS  50          1HB       CYS  50  -7.750  -6.274  -7.320
  353    HA   PRO  51           HA       PRO  51  -8.559 -11.418  -6.324
  354   1HB   PRO  51          2HB       PRO  51 -10.797 -10.718  -4.723
  355   2HB   PRO  51          1HB       PRO  51  -9.324 -11.503  -4.180
  356   1HG   PRO  51          2HG       PRO  51 -10.174  -8.715  -3.755
  357   2HG   PRO  51          1HG       PRO  51  -8.902  -9.614  -2.941
  358   1HD   PRO  51          2HD       PRO  51  -8.559  -7.597  -4.960
  359   2HD   PRO  51          1HD       PRO  51  -7.296  -8.616  -4.244
  360    H    LEU  52           H        LEU  52  -9.080 -11.337  -8.447
  361    HA   LEU  52           HA       LEU  52 -11.591  -9.938  -9.274
  362   1HB   LEU  52          2HB       LEU  52  -9.278  -9.457 -10.399
  363   2HB   LEU  52          1HB       LEU  52  -9.433 -11.043 -11.117
  364    HG   LEU  52           HG       LEU  52 -11.843 -10.163 -11.869
  365   1HD1  LEU  52          2HD1      LEU  52 -10.314  -7.551 -11.456
  366   2HD1  LEU  52          1HD1      LEU  52 -11.866  -7.710 -12.261
  367   3HD1  LEU  52          3HD1      LEU  52 -11.730  -8.049 -10.546
  368   1HD2  LEU  52          1HD2      LEU  52  -9.268  -9.161 -13.159
  369   2HD2  LEU  52          3HD2      LEU  52 -10.018 -10.725 -13.442
  370   3HD2  LEU  52          2HD2      LEU  52 -10.831  -9.258 -13.956
  371    H    ALA  53           H        ALA  53 -12.191 -11.984  -7.909
  372    HA   ALA  53           HA       ALA  53 -13.455 -13.917  -7.854
  373   1HB   ALA  53          2HB       ALA  53 -14.371 -12.761 -10.042
  374   2HB   ALA  53          1HB       ALA  53 -13.503 -14.033 -10.886
  375   3HB   ALA  53          3HB       ALA  53 -14.769 -14.443  -9.745
   
  Start of MODEL          16
 Raw file had  375 H/Q atoms
  Start of MODEL   16
    1   1H    ASP   1          2H        ASP   1   5.172  -0.437 -17.806
    2   2H    ASP   1          1H        ASP   1   4.229   0.611 -18.754
    3   3H    ASP   1          3H        ASP   1   5.924   0.740 -18.773
    4    HA   ASP   1           HA       ASP   1   5.146   2.494 -17.451
    5   1HB   ASP   1          2HB       ASP   1   2.885   1.263 -17.008
    6   2HB   ASP   1          1HB       ASP   1   3.705   0.489 -15.664
    7    NH1  ARG   2           NH1      ARG   2   8.660   7.563 -16.081
    8    NH2  ARG   2           NH2      ARG   2  10.935   7.746 -16.003
    9    H    ARG   2           H        ARG   2   6.165   3.139 -15.542
   10    HA   ARG   2           HA       ARG   2   8.487   1.536 -14.822
   11   1HB   ARG   2          2HB       ARG   2   7.443   4.217 -13.825
   12   2HB   ARG   2          1HB       ARG   2   8.952   3.511 -13.282
   13   1HG   ARG   2          2HG       ARG   2   9.229   3.314 -16.042
   14   2HG   ARG   2          1HG       ARG   2   8.270   4.771 -15.904
   15   1HD   ARG   2          2HD       ARG   2  10.724   4.454 -14.143
   16   2HD   ARG   2          1HD       ARG   2  10.923   4.910 -15.827
   17    HE   ARG   2           HE       ARG   2   9.639   6.543 -13.728
   18   1HH1  ARG   2          2HH1      ARG   2   7.824   7.134 -15.740
   19   2HH1  ARG   2          1HH1      ARG   2   8.612   8.258 -16.799
   20   1HH2  ARG   2          1HH2      ARG   2  11.804   7.455 -15.604
   21   2HH2  ARG   2          2HH2      ARG   2  10.921   8.443 -16.721
   22    H    ILE   3           H        ILE   3   9.101   1.258 -12.542
   23    HA   ILE   3           HA       ILE   3   6.908  -0.050 -11.065
   24    HB   ILE   3           HB       ILE   3   9.199  -1.103 -11.640
   25   1HG1  ILE   3          2HG1      ILE   3   9.444  -2.194  -9.354
   26   2HG1  ILE   3          1HG1      ILE   3   8.206  -1.103  -8.767
   27   1HG2  ILE   3          1HG2      ILE   3  10.614   0.864 -11.067
   28   2HG2  ILE   3          3HG2      ILE   3  10.260   0.633  -9.369
   29   3HG2  ILE   3          2HG2      ILE   3  11.132  -0.599 -10.251
   30   1HD1  ILE   3          2HD1      ILE   3   7.268  -2.283 -11.246
   31   2HD1  ILE   3          1HD1      ILE   3   7.855  -3.554 -10.195
   32   3HD1  ILE   3          3HD1      ILE   3   6.605  -2.452  -9.633
   33    H    CYS   4           H        CYS   4   6.791   2.679 -11.155
   34    HA   CYS   4           HA       CYS   4   7.662   3.685  -8.516
   35   1HB   CYS   4          2HB       CYS   4   6.726   4.892 -11.091
   36   2HB   CYS   4          1HB       CYS   4   6.556   5.839  -9.636
   37    H    THR   5           H        THR   5   5.811   1.721  -8.371
   38    HA   THR   5           HA       THR   5   3.144   2.890  -7.863
   39    HB   THR   5           HB       THR   5   2.842   0.308  -7.016
   40    HG1  THR   5           HG1      THR   5   4.412  -0.955  -7.953
   41   1HG2  THR   5          1HG2      THR   5   3.424   1.038  -9.946
   42   2HG2  THR   5          3HG2      THR   5   2.584  -0.411  -9.418
   43   3HG2  THR   5          2HG2      THR   5   1.849   1.166  -9.179
   44    H    ASN   6           H        ASN   6   2.184   2.086  -5.616
   45    HA   ASN   6           HA       ASN   6   4.124   2.050  -3.426
   46   1HB   ASN   6          2HB       ASN   6   3.053   4.197  -2.397
   47   2HB   ASN   6          1HB       ASN   6   4.191   4.421  -3.708
   48   1HD2  ASN   6          2HD2      ASN   6   1.726   6.417  -5.263
   49   2HD2  ASN   6          1HD2      ASN   6   3.289   6.341  -4.616
   50    H    CYS   7           H        CYS   7   3.339   1.274  -1.538
   51    HA   CYS   7           HA       CYS   7   0.863  -0.101  -1.545
   52   1HB   CYS   7          2HB       CYS   7   2.529  -1.018  -0.190
   53   2HB   CYS   7          1HB       CYS   7   2.989   0.523   0.460
   54    H    CYS   8           H        CYS   8   1.696   3.066  -0.575
   55    HA   CYS   8           HA       CYS   8  -0.398   3.630   1.270
   56   1HB   CYS   8          2HB       CYS   8   1.633   5.002   0.891
   57   2HB   CYS   8          1HB       CYS   8   1.005   5.488  -0.649
   58    H    ALA   9           H        ALA   9  -0.113   4.389  -2.127
   59    HA   ALA   9           HA       ALA   9  -2.966   5.112  -2.296
   60   1HB   ALA   9          1HB       ALA   9  -0.744   6.163  -3.476
   61   2HB   ALA   9          3HB       ALA   9  -1.344   5.182  -4.795
   62   3HB   ALA   9          2HB       ALA   9  -2.378   6.392  -4.065
   63    H    GLY  10           H        GLY  10  -1.135   3.313  -4.704
   64   1HA   GLY  10          2HA       GLY  10  -1.875   1.674  -6.209
   65   2HA   GLY  10          1HA       GLY  10  -2.159   0.794  -4.742
   66    H    THR  11           H        THR  11  -4.177   0.403  -4.059
   67    HA   THR  11           HA       THR  11  -6.616   1.594  -4.859
   68    HB   THR  11           HB       THR  11  -7.268  -0.712  -6.308
   69    HG1  THR  11           HG1      THR  11  -4.696  -0.749  -6.124
   70   1HG2  THR  11          3HG2      THR  11  -7.026   2.040  -6.991
   71   2HG2  THR  11          2HG2      THR  11  -6.027   1.202  -8.163
   72   3HG2  THR  11          1HG2      THR  11  -7.714   0.773  -7.986
   73    H    LYS  12           H        LYS  12  -7.892   1.145  -3.231
   74    HA   LYS  12           HA       LYS  12  -7.565  -0.734  -1.248
   75   1HB   LYS  12          2HB       LYS  12 -10.041  -0.575  -0.833
   76   2HB   LYS  12          1HB       LYS  12  -9.249   0.968  -0.966
   77   1HG   LYS  12          2HG       LYS  12 -10.535   1.563  -2.770
   78   2HG   LYS  12          1HG       LYS  12 -10.159   0.097  -3.630
   79   1HD   LYS  12          2HD       LYS  12 -11.900  -1.085  -2.181
   80   2HD   LYS  12          1HD       LYS  12 -12.329   0.487  -1.531
   81   1HE   LYS  12          2HE       LYS  12 -12.579   1.168  -4.091
   82   2HE   LYS  12          1HE       LYS  12 -12.704  -0.568  -4.338
   83   1HZ   LYS  12          3HZ       LYS  12 -14.497  -0.610  -2.705
   84   2HZ   LYS  12          2HZ       LYS  12 -14.401   1.081  -2.558
   85   3HZ   LYS  12          1HZ       LYS  12 -14.858   0.380  -4.038
   86    H    GLY  13           H        GLY  13  -7.762  -2.852  -1.022
   87   1HA   GLY  13          2HA       GLY  13  -8.809  -4.986  -1.346
   88   2HA   GLY  13          1HA       GLY  13  -9.457  -4.438  -2.882
   89    H    CYS  14           H        CYS  14  -6.721  -3.375  -3.741
   90    HA   CYS  14           HA       CYS  14  -5.778  -5.926  -4.818
   91   1HB   CYS  14          2HB       CYS  14  -4.636  -3.126  -5.067
   92   2HB   CYS  14          1HB       CYS  14  -4.161  -4.503  -6.021
   93    H    LYS  15           H        LYS  15  -4.361  -7.175  -3.788
   94    HA   LYS  15           HA       LYS  15  -3.009  -6.217  -1.392
   95   1HB   LYS  15          2HB       LYS  15  -2.318  -8.543  -1.118
   96   2HB   LYS  15          1HB       LYS  15  -4.000  -8.491  -1.594
   97   1HG   LYS  15          2HG       LYS  15  -2.878  -8.733  -4.046
   98   2HG   LYS  15          1HG       LYS  15  -1.629  -9.501  -3.103
   99   1HD   LYS  15          2HD       LYS  15  -4.351 -10.428  -2.335
  100   2HD   LYS  15          1HD       LYS  15  -3.975 -10.744  -4.012
  101   1HE   LYS  15          2HE       LYS  15  -3.242 -12.635  -2.612
  102   2HE   LYS  15          1HE       LYS  15  -1.839 -11.847  -3.318
  103   1HZ   LYS  15          2HZ       LYS  15  -2.606 -10.714  -0.799
  104   2HZ   LYS  15          1HZ       LYS  15  -2.221 -12.363  -0.691
  105   3HZ   LYS  15          3HZ       LYS  15  -1.091 -11.269  -1.332
  106    OH   TYR  16           OH       TYR  16  -2.500   0.605  -2.492
  107    H    TYR  16           H        TYR  16  -1.348  -4.903  -1.667
  108    HA   TYR  16           HA       TYR  16   0.385  -4.769  -3.922
  109   1HB   TYR  16          2HB       TYR  16   1.081  -4.079  -1.030
  110   2HB   TYR  16          1HB       TYR  16   1.958  -3.562  -2.458
  111    HD1  TYR  16           HD2      TYR  16   0.971  -1.926  -4.020
  112    HD2  TYR  16           HD1      TYR  16  -1.054  -3.096  -0.472
  113    HE1  TYR  16           HE2      TYR  16  -0.497  -0.009  -4.228
  114    HE2  TYR  16           HE1      TYR  16  -2.525  -1.147  -0.687
  115    HH   TYR  16           HH       TYR  16  -3.148   0.421  -3.172
  116    H    PHE  17           H        PHE  17   1.963  -6.078  -4.521
  117    HA   PHE  17           HA       PHE  17   3.320  -7.791  -2.554
  118   1HB   PHE  17          2HB       PHE  17   1.675  -9.263  -3.054
  119   2HB   PHE  17          1HB       PHE  17   1.305  -8.582  -4.620
  120    HD1  PHE  17           HD1      PHE  17   3.144  -8.973  -6.464
  121    HD2  PHE  17           HD2      PHE  17   2.685 -11.350  -2.959
  122    HE1  PHE  17           HE1      PHE  17   4.283 -10.815  -7.563
  123    HE2  PHE  17           HE2      PHE  17   3.818 -13.195  -4.042
  124    HZ   PHE  17           HZ       PHE  17   4.634 -12.937  -6.387
  125    H    SER  18           H        SER  18   5.187  -8.718  -3.332
  126    HA   SER  18           HA       SER  18   6.528  -7.134  -5.457
  127   1HB   SER  18          2HB       SER  18   7.676  -6.841  -3.369
  128   2HB   SER  18          1HB       SER  18   7.628  -8.569  -3.010
  129    HG   SER  18           HG       SER  18   8.791  -7.702  -5.434
  130    H    ASP  19           H        ASP  19   7.367  -8.023  -7.065
  131    HA   ASP  19           HA       ASP  19   6.660 -10.387  -8.285
  132   1HB   ASP  19          2HB       ASP  19   8.601  -9.993  -9.804
  133   2HB   ASP  19          1HB       ASP  19   7.723  -8.511  -9.488
  134    H    ASP  20           H        ASP  20   9.124 -10.025  -5.864
  135    HA   ASP  20           HA       ASP  20  10.766 -12.251  -6.454
  136   1HB   ASP  20          2HB       ASP  20  11.207 -12.211  -3.903
  137   2HB   ASP  20          1HB       ASP  20  11.514 -10.733  -4.790
  138    H    GLY  21           H        GLY  21   7.549 -12.150  -5.322
  139   1HA   GLY  21          2HA       GLY  21   6.127 -14.114  -5.488
  140   2HA   GLY  21          1HA       GLY  21   7.486 -15.109  -4.968
  141    H    THR  22           H        THR  22   6.645 -11.991  -3.570
  142    HA   THR  22           HA       THR  22   5.472 -13.304  -1.189
  143    HB   THR  22           HB       THR  22   7.908 -11.475  -1.150
  144    HG1  THR  22           HG1      THR  22   7.377 -14.217  -0.734
  145   1HG2  THR  22          3HG2      THR  22   6.294 -12.840   1.100
  146   2HG2  THR  22          2HG2      THR  22   7.921 -12.223   1.342
  147   3HG2  THR  22          1HG2      THR  22   6.615 -11.118   0.963
  148    H    PHE  23           H        PHE  23   4.008 -12.140  -0.140
  149    HA   PHE  23           HA       PHE  23   2.842  -9.829  -1.387
  150   1HB   PHE  23          2HB       PHE  23   1.393 -11.321  -0.296
  151   2HB   PHE  23          1HB       PHE  23   2.437 -11.486   1.079
  152    HD1  PHE  23           HD1      PHE  23   2.525  -9.588   2.807
  153    HD2  PHE  23           HD2      PHE  23  -0.323  -9.610  -0.364
  154    HE1  PHE  23           HE1      PHE  23   1.177  -7.925   4.002
  155    HE2  PHE  23           HE2      PHE  23  -1.663  -7.950   0.841
  156    HZ   PHE  23           HZ       PHE  23  -0.930  -7.098   3.019
  157    H    VAL  24           H        VAL  24   2.653  -7.724  -0.461
  158    HA   VAL  24           HA       VAL  24   4.913  -6.926   1.318
  159    HB   VAL  24           HB       VAL  24   3.707  -5.477  -1.090
  160   1HG1  VAL  24          1HG1      VAL  24   5.837  -4.641   0.905
  161   2HG1  VAL  24          3HG1      VAL  24   5.736  -3.939  -0.701
  162   3HG1  VAL  24          2HG1      VAL  24   4.398  -3.751   0.418
  163   1HG2  VAL  24          1HG2      VAL  24   5.264  -7.460  -1.559
  164   2HG2  VAL  24          3HG2      VAL  24   5.840  -5.927  -2.180
  165   3HG2  VAL  24          2HG2      VAL  24   6.522  -6.592  -0.704
  166    H    CYS  25           H        CYS  25   1.733  -5.832   0.172
  167    HA   CYS  25           HA       CYS  25   0.806  -5.319   2.882
  168   1HB   CYS  25          2HB       CYS  25   1.265  -3.231   3.108
  169   2HB   CYS  25          1HB       CYS  25   2.229  -3.267   1.662
  170    H    GLU  26           H        GLU  26  -1.369  -3.905   2.631
  171    HA   GLU  26           HA       GLU  26  -2.924  -5.202   0.438
  172   1HB   GLU  26          2HB       GLU  26  -3.454  -4.601   3.259
  173   2HB   GLU  26          1HB       GLU  26  -4.841  -4.535   2.219
  174   1HG   GLU  26          2HG       GLU  26  -3.037  -6.961   2.594
  175   2HG   GLU  26          1HG       GLU  26  -4.688  -6.811   3.146
  176    H    GLY  27           H        GLY  27  -4.557  -4.229  -0.554
  177   1HA   GLY  27          2HA       GLY  27  -4.323  -1.718  -1.653
  178   2HA   GLY  27          1HA       GLY  27  -5.854  -2.547  -1.488
  179    H    GLU  28           H        GLU  28  -4.095   0.112  -0.619
  180    HA   GLU  28           HA       GLU  28  -5.719   0.768   1.757
  181   1HB   GLU  28          2HB       GLU  28  -3.074   1.601   0.708
  182   2HB   GLU  28          1HB       GLU  28  -3.953   2.852   1.554
  183   1HG   GLU  28          2HG       GLU  28  -3.650   1.887   3.593
  184   2HG   GLU  28          1HG       GLU  28  -4.076   0.291   3.018
  185    H    SER  29           H        SER  29  -5.137   2.412  -1.415
  186    HA   SER  29           HA       SER  29  -6.568   4.784  -0.813
  187   1HB   SER  29          2HB       SER  29  -5.286   4.757  -2.836
  188   2HB   SER  29          1HB       SER  29  -6.161   3.348  -3.466
  189    HG   SER  29           HG       SER  29  -7.148   5.099  -4.325
  190    H    ASP  30           H        ASP  30  -8.466   4.698   0.141
  191    HA   ASP  30           HA       ASP  30 -10.659   2.986  -0.840
  192   1HB   ASP  30          2HB       ASP  30 -10.210   3.163   1.618
  193   2HB   ASP  30          1HB       ASP  30 -10.477   4.894   1.542
  194    HA   PRO  31           HA       PRO  31 -12.244   6.112  -3.536
  195   1HB   PRO  31          2HB       PRO  31 -15.020   5.767  -2.706
  196   2HB   PRO  31          1HB       PRO  31 -14.241   5.305  -4.211
  197   1HG   PRO  31          2HG       PRO  31 -14.941   3.604  -1.954
  198   2HG   PRO  31          1HG       PRO  31 -14.288   3.117  -3.510
  199   1HD   PRO  31          2HD       PRO  31 -12.911   3.052  -1.035
  200   2HD   PRO  31          1HD       PRO  31 -12.173   2.890  -2.634
  201    NH1  ARG  32           NH1      ARG  32 -16.794   9.462   5.689
  202    NH2  ARG  32           NH2      ARG  32 -14.986   8.190   6.264
  203    H    ARG  32           H        ARG  32 -13.246   6.329  -0.168
  204    HA   ARG  32           HA       ARG  32 -14.375   8.946  -0.294
  205   1HB   ARG  32          2HB       ARG  32 -13.445   7.081   1.849
  206   2HB   ARG  32          1HB       ARG  32 -13.453   8.772   2.294
  207   1HG   ARG  32          2HG       ARG  32 -15.826   8.968   1.550
  208   2HG   ARG  32          1HG       ARG  32 -15.831   7.265   1.128
  209   1HD   ARG  32          2HD       ARG  32 -16.813   7.494   3.350
  210   2HD   ARG  32          1HD       ARG  32 -15.227   6.752   3.559
  211    HE   ARG  32           HE       ARG  32 -14.779   9.507   3.760
  212   1HH1  ARG  32          2HH1      ARG  32 -17.321   9.929   4.979
  213   2HH1  ARG  32          1HH1      ARG  32 -17.096   9.494   6.641
  214   1HH2  ARG  32          1HH2      ARG  32 -14.160   7.702   5.984
  215   2HH2  ARG  32          2HH2      ARG  32 -15.261   8.203   7.225
  216    H    ASN  33           H        ASN  33 -11.042   7.859   0.194
  217    HA   ASN  33           HA       ASN  33 -10.139  10.580   0.762
  218   1HB   ASN  33          2HB       ASN  33  -7.812   9.565   0.607
  219   2HB   ASN  33          1HB       ASN  33  -8.844   8.829   1.810
  220   1HD2  ASN  33          2HD2      ASN  33  -7.943   6.615  -1.573
  221   2HD2  ASN  33          1HD2      ASN  33  -8.077   8.288  -1.686
  222    HA   PRO  34           HA       PRO  34  -9.227  11.344  -3.610
  223   1HB   PRO  34          2HB       PRO  34  -7.819  13.744  -3.237
  224   2HB   PRO  34          1HB       PRO  34  -9.566  13.625  -3.357
  225   1HG   PRO  34          2HG       PRO  34  -7.890  14.066  -0.937
  226   2HG   PRO  34          1HG       PRO  34  -9.577  14.490  -1.205
  227   1HD   PRO  34          2HD       PRO  34  -8.600  12.235   0.297
  228   2HD   PRO  34          1HD       PRO  34 -10.284  12.560  -0.156
  229    H    LYS  35           H        LYS  35  -7.778   9.502  -2.164
  230    HA   LYS  35           HA       LYS  35  -5.755   8.396  -1.991
  231   1HB   LYS  35          2HB       LYS  35  -5.460   9.793  -4.709
  232   2HB   LYS  35          1HB       LYS  35  -4.474   8.445  -4.173
  233   1HG   LYS  35          2HG       LYS  35  -6.103   7.186  -5.229
  234   2HG   LYS  35          1HG       LYS  35  -6.905   7.365  -3.682
  235   1HD   LYS  35          2HD       LYS  35  -8.118   9.406  -4.611
  236   2HD   LYS  35          1HD       LYS  35  -7.398   9.053  -6.168
  237   1HE   LYS  35          2HE       LYS  35  -9.671   8.100  -6.042
  238   2HE   LYS  35          1HE       LYS  35  -8.501   6.793  -6.120
  239   1HZ   LYS  35          2HZ       LYS  35  -9.565   7.825  -3.562
  240   2HZ   LYS  35          1HZ       LYS  35 -10.294   6.560  -4.428
  241   3HZ   LYS  35          3HZ       LYS  35  -8.704   6.387  -3.857
  242    H    ALA  36           H        ALA  36  -5.375   9.888  -0.226
  243    HA   ALA  36           HA       ALA  36  -3.510  12.104  -0.558
  244   1HB   ALA  36          1HB       ALA  36  -4.612  10.707   1.912
  245   2HB   ALA  36          3HB       ALA  36  -3.632  12.165   1.957
  246   3HB   ALA  36          2HB       ALA  36  -5.211  12.192   1.191
  247    H    CYS  37           H        CYS  37  -1.786  11.113  -1.552
  248    HA   CYS  37           HA       CYS  37   0.181   9.950   0.285
  249   1HB   CYS  37          2HB       CYS  37  -0.659   8.535  -2.263
  250   2HB   CYS  37          1HB       CYS  37   0.721   8.095  -1.296
  251    HA   PRO  38           HA       PRO  38   2.745  12.373  -2.561
  252   1HB   PRO  38          2HB       PRO  38   5.199  11.263  -1.629
  253   2HB   PRO  38          1HB       PRO  38   4.458  12.766  -1.114
  254   1HG   PRO  38          2HG       PRO  38   4.639  10.244   0.366
  255   2HG   PRO  38          1HG       PRO  38   4.106  11.814   0.945
  256   1HD   PRO  38          2HD       PRO  38   2.458   9.521   0.301
  257   2HD   PRO  38          1HD       PRO  38   1.922  11.113   0.867
  258    NH1  ARG  39           NH1      ARG  39   4.718  10.638 -11.353
  259    NH2  ARG  39           NH2      ARG  39   2.577  10.268 -10.656
  260    H    ARG  39           H        ARG  39   5.053  11.448  -3.723
  261    HA   ARG  39           HA       ARG  39   3.999   9.491  -5.625
  262   1HB   ARG  39          2HB       ARG  39   6.467  11.222  -5.405
  263   2HB   ARG  39          1HB       ARG  39   6.538   9.850  -6.488
  264   1HG   ARG  39          2HG       ARG  39   4.187  11.770  -6.613
  265   2HG   ARG  39          1HG       ARG  39   5.694  12.161  -7.418
  266   1HD   ARG  39          2HD       ARG  39   5.574   9.942  -8.631
  267   2HD   ARG  39          1HD       ARG  39   3.990   9.674  -7.906
  268    HE   ARG  39           HE       ARG  39   3.866  12.203  -9.129
  269   1HH1  ARG  39          2HH1      ARG  39   5.634  10.992 -11.158
  270   2HH1  ARG  39          1HH1      ARG  39   4.520  10.226 -12.242
  271   1HH2  ARG  39          1HH2      ARG  39   1.884  10.344  -9.938
  272   2HH2  ARG  39          2HH2      ARG  39   2.345   9.850 -11.533
  273    H    ASN  40           H        ASN  40   7.204   9.533  -4.151
  274    HA   ASN  40           HA       ASN  40   8.580   7.836  -3.385
  275   1HB   ASN  40          2HB       ASN  40   5.912   7.055  -2.117
  276   2HB   ASN  40          1HB       ASN  40   7.445   6.321  -1.669
  277   1HD2  ASN  40          2HD2      ASN  40   8.590   9.137   0.140
  278   2HD2  ASN  40          1HD2      ASN  40   9.015   7.641  -0.541
  279    H    CYS  41           H        CYS  41   9.081   6.946  -5.370
  280    HA   CYS  41           HA       CYS  41   7.593   4.847  -6.655
  281   1HB   CYS  41          2HB       CYS  41  10.503   5.740  -6.791
  282   2HB   CYS  41          1HB       CYS  41   9.873   4.468  -7.805
  283    H    ASP  42           H        ASP  42   7.471   2.742  -6.093
  284    HA   ASP  42           HA       ASP  42   9.331   1.706  -4.003
  285   1HB   ASP  42          2HB       ASP  42   6.817   2.061  -3.535
  286   2HB   ASP  42          1HB       ASP  42   6.538   0.653  -4.542
  287    HA   PRO  43           HA       PRO  43  10.300  -0.772  -7.791
  288   1HB   PRO  43          2HB       PRO  43  12.934  -1.255  -6.706
  289   2HB   PRO  43          1HB       PRO  43  12.493  -0.283  -8.100
  290   1HG   PRO  43          2HG       PRO  43  13.302   0.638  -5.465
  291   2HG   PRO  43          1HG       PRO  43  12.994   1.600  -6.903
  292   1HD   PRO  43          2HD       PRO  43  11.343   1.418  -4.564
  293   2HD   PRO  43          1HD       PRO  43  10.974   2.275  -6.074
  294    NH1  ARG  44           NH1      ARG  44   9.063  -0.997  -0.069
  295    NH2  ARG  44           NH2      ARG  44   9.914   0.995  -0.790
  296    H    ARG  44           H        ARG  44  10.735  -1.393  -4.409
  297    HA   ARG  44           HA       ARG  44  11.216  -4.209  -4.510
  298   1HB   ARG  44          2HB       ARG  44   9.699  -2.674  -2.328
  299   2HB   ARG  44          1HB       ARG  44  10.469  -4.230  -2.159
  300   1HG   ARG  44          2HG       ARG  44  12.259  -3.045  -1.381
  301   2HG   ARG  44          1HG       ARG  44  12.612  -2.778  -3.073
  302   1HD   ARG  44          2HD       ARG  44  12.659  -0.586  -2.206
  303   2HD   ARG  44          1HD       ARG  44  11.010  -0.663  -2.802
  304    HE   ARG  44           HE       ARG  44  11.756  -1.106   0.065
  305   1HH1  ARG  44          2HH1      ARG  44   9.203  -1.966   0.130
  306   2HH1  ARG  44          1HH1      ARG  44   8.167  -0.579   0.075
  307   1HH2  ARG  44          1HH2      ARG  44  10.692   1.521  -1.133
  308   2HH2  ARG  44          2HH2      ARG  44   9.029   1.441  -0.655
  309    H    ILE  45           H        ILE  45   8.265  -2.297  -4.322
  310    HA   ILE  45           HA       ILE  45   6.488  -4.599  -4.433
  311    HB   ILE  45           HB       ILE  45   6.282  -1.788  -3.868
  312   1HG1  ILE  45          2HG1      ILE  45   3.801  -3.494  -4.003
  313   2HG1  ILE  45          1HG1      ILE  45   5.075  -3.940  -2.888
  314   1HG2  ILE  45          1HG2      ILE  45   5.725  -1.309  -6.198
  315   2HG2  ILE  45          3HG2      ILE  45   4.397  -2.461  -6.151
  316   3HG2  ILE  45          2HG2      ILE  45   4.344  -1.010  -5.164
  317   1HD1  ILE  45          3HD1      ILE  45   5.013  -1.452  -2.092
  318   2HD1  ILE  45          2HD1      ILE  45   3.470  -1.371  -2.930
  319   3HD1  ILE  45          1HD1      ILE  45   3.694  -2.497  -1.604
  320    H    ALA  46           H        ALA  46   5.417  -5.367  -6.255
  321    HA   ALA  46           HA       ALA  46   6.600  -4.589  -8.873
  322   1HB   ALA  46          3HB       ALA  46   5.336  -7.163  -7.878
  323   2HB   ALA  46          2HB       ALA  46   5.748  -6.875  -9.566
  324   3HB   ALA  46          1HB       ALA  46   7.005  -6.868  -8.349
  325    OH   TYR  47           OH       TYR  47   3.965 -10.526 -10.106
  326    H    TYR  47           H        TYR  47   3.624  -5.515  -7.278
  327    HA   TYR  47           HA       TYR  47   1.997  -3.539  -8.577
  328   1HB   TYR  47          2HB       TYR  47   0.560  -5.433  -9.854
  329   2HB   TYR  47          1HB       TYR  47   1.973  -4.751 -10.620
  330    HD1  TYR  47           HD2      TYR  47   1.064  -7.568  -8.296
  331    HD2  TYR  47           HD1      TYR  47   3.591  -6.227 -11.456
  332    HE1  TYR  47           HE2      TYR  47   2.071  -9.791  -8.445
  333    HE2  TYR  47           HE1      TYR  47   4.593  -8.454 -11.596
  334    HH   TYR  47           HH       TYR  47   3.933 -10.807 -11.024
  335    H    GLY  48           H        GLY  48  -0.475  -4.620  -8.437
  336   1HA   GLY  48          2HA       GLY  48  -0.709  -5.741  -5.670
  337   2HA   GLY  48          1HA       GLY  48  -1.725  -4.412  -6.225
  338    H    ILE  49           H        ILE  49  -1.572  -7.722  -5.871
  339    HA   ILE  49           HA       ILE  49  -3.158  -8.454  -8.233
  340    HB   ILE  49           HB       ILE  49  -2.555 -10.029  -5.674
  341   1HG1  ILE  49          2HG1      ILE  49  -0.410  -9.638  -6.728
  342   2HG1  ILE  49          1HG1      ILE  49  -0.887 -11.269  -7.105
  343   1HG2  ILE  49          2HG2      ILE  49  -3.794 -10.882  -8.312
  344   2HG2  ILE  49          1HG2      ILE  49  -3.098 -12.030  -7.179
  345   3HG2  ILE  49          3HG2      ILE  49  -4.464 -11.043  -6.698
  346   1HD1  ILE  49          1HD1      ILE  49  -1.851 -10.312  -9.329
  347   2HD1  ILE  49          3HD1      ILE  49  -0.918  -8.871  -8.953
  348   3HD1  ILE  49          2HD1      ILE  49  -0.109 -10.412  -9.170
  349    H    CYS  50           H        CYS  50  -5.179  -7.713  -8.350
  350    HA   CYS  50           HA       CYS  50  -6.816  -7.396  -5.889
  351   1HB   CYS  50          2HB       CYS  50  -7.851  -6.581  -8.575
  352   2HB   CYS  50          1HB       CYS  50  -8.016  -5.795  -7.037
  353    HA   PRO  51           HA       PRO  51  -9.344 -10.928  -6.908
  354   1HB   PRO  51          2HB       PRO  51 -11.923  -9.731  -6.508
  355   2HB   PRO  51          1HB       PRO  51 -11.007 -10.700  -5.367
  356   1HG   PRO  51          2HG       PRO  51 -11.437  -7.806  -5.347
  357   2HG   PRO  51          1HG       PRO  51 -10.717  -8.807  -4.095
  358   1HD   PRO  51          2HD       PRO  51  -9.349  -7.006  -5.863
  359   2HD   PRO  51          1HD       PRO  51  -8.599  -8.119  -4.704
  360    H    LEU  52           H        LEU  52 -10.402  -7.816  -8.111
  361    HA   LEU  52           HA       LEU  52 -11.507  -8.965 -10.603
  362   1HB   LEU  52          2HB       LEU  52 -11.416  -6.186  -9.348
  363   2HB   LEU  52          1HB       LEU  52 -11.834  -6.372 -11.040
  364    HG   LEU  52           HG       LEU  52 -13.667  -7.993 -10.370
  365   1HD1  LEU  52          2HD1      LEU  52 -12.640  -7.251  -7.615
  366   2HD1  LEU  52          1HD1      LEU  52 -14.340  -7.634  -7.825
  367   3HD1  LEU  52          3HD1      LEU  52 -13.120  -8.822  -8.234
  368   1HD2  LEU  52          1HD2      LEU  52 -13.813  -5.193  -9.163
  369   2HD2  LEU  52          3HD2      LEU  52 -14.168  -5.612 -10.831
  370   3HD2  LEU  52          2HD2      LEU  52 -15.196  -6.208  -9.542
  371    H    ALA  53           H        ALA  53  -9.497  -9.859 -11.184
  372    HA   ALA  53           HA       ALA  53  -7.679  -9.998 -12.598
  373   1HB   ALA  53          3HB       ALA  53  -9.040  -8.078 -13.803
  374   2HB   ALA  53          2HB       ALA  53  -7.772  -7.026 -13.191
  375   3HB   ALA  53          1HB       ALA  53  -7.369  -8.358 -14.259
   
  Start of MODEL          17
 Raw file had  375 H/Q atoms
  Start of MODEL   17
    1   1H    ASP   1          2H        ASP   1  11.005   2.168 -10.604
    2   2H    ASP   1          1H        ASP   1  12.614   2.525 -10.190
    3   3H    ASP   1          3H        ASP   1  11.535   3.782 -10.572
    4    HA   ASP   1           HA       ASP   1  12.947   3.452 -12.428
    5   1HB   ASP   1          2HB       ASP   1  13.684   1.143 -11.965
    6   2HB   ASP   1          1HB       ASP   1  12.054   0.536 -12.185
    7    NH1  ARG   2           NH2      ARG   2   8.057  -2.560 -16.493
    8    NH2  ARG   2           NH1      ARG   2   6.125  -2.284 -17.682
    9    H    ARG   2           H        ARG   2  10.044   1.474 -12.196
   10    HA   ARG   2           HA       ARG   2   8.627   3.273 -14.101
   11   1HB   ARG   2          2HB       ARG   2   9.635   1.074 -15.159
   12   2HB   ARG   2          1HB       ARG   2   8.343   0.251 -14.306
   13   1HG   ARG   2          2HG       ARG   2   6.685   1.789 -15.440
   14   2HG   ARG   2          1HG       ARG   2   8.014   2.525 -16.320
   15   1HD   ARG   2          2HD       ARG   2   7.040   0.849 -17.778
   16   2HD   ARG   2          1HD       ARG   2   8.579   0.196 -17.223
   17    HE   ARG   2           HE       ARG   2   6.288  -0.532 -15.542
   18   1HH1  ARG   2          1HH2      ARG   2   8.724  -2.185 -15.847
   19   2HH1  ARG   2          2HH2      ARG   2   8.185  -3.476 -16.872
   20   1HH2  ARG   2          2HH1      ARG   2   5.344  -1.708 -17.923
   21   2HH2  ARG   2          1HH1      ARG   2   6.223  -3.192 -18.089
   22    H    ILE   3           H        ILE   3   8.404   0.579 -11.829
   23    HA   ILE   3           HA       ILE   3   5.575   1.017 -11.285
   24    HB   ILE   3           HB       ILE   3   6.644  -1.244 -11.222
   25   1HG1  ILE   3          2HG1      ILE   3   5.822  -1.872  -8.817
   26   2HG1  ILE   3          1HG1      ILE   3   5.359  -0.194  -8.674
   27   1HG2  ILE   3          3HG2      ILE   3   8.810  -0.155  -9.995
   28   2HG2  ILE   3          2HG2      ILE   3   7.977  -0.812  -8.595
   29   3HG2  ILE   3          1HG2      ILE   3   8.421  -1.863  -9.926
   30   1HD1  ILE   3          3HD1      ILE   3   4.495  -2.046 -10.942
   31   2HD1  ILE   3          2HD1      ILE   3   3.501  -1.643  -9.551
   32   3HD1  ILE   3          1HD1      ILE   3   3.950  -0.394 -10.702
   33    H    CYS   4           H        CYS   4   5.875   3.280 -10.818
   34    HA   CYS   4           HA       CYS   4   7.145   3.980  -8.255
   35   1HB   CYS   4          2HB       CYS   4   6.126   5.436 -10.669
   36   2HB   CYS   4          1HB       CYS   4   6.167   6.335  -9.169
   37    H    THR   5           H        THR   5   5.003   2.288  -8.156
   38    HA   THR   5           HA       THR   5   2.702   3.779  -7.057
   39    HB   THR   5           HB       THR   5   2.627   0.810  -6.726
   40    HG1  THR   5           HG1      THR   5   3.239   1.964  -9.238
   41   1HG2  THR   5          2HG2      THR   5   1.130   2.717  -8.611
   42   2HG2  THR   5          1HG2      THR   5   0.636   1.077  -8.216
   43   3HG2  THR   5          3HG2      THR   5   0.589   2.331  -6.984
   44    H    ASN   6           H        ASN   6   1.947   2.273  -4.954
   45    HA   ASN   6           HA       ASN   6   4.118   1.725  -3.084
   46   1HB   ASN   6          2HB       ASN   6   2.337   4.165  -2.672
   47   2HB   ASN   6          1HB       ASN   6   3.282   3.458  -1.391
   48   1HD2  ASN   6          2HD2      ASN   6   5.082   6.015  -3.778
   49   2HD2  ASN   6          1HD2      ASN   6   3.394   5.768  -3.828
   50    H    CYS   7           H        CYS   7   3.298   1.239  -0.918
   51    HA   CYS   7           HA       CYS   7   1.182  -0.677  -0.992
   52   1HB   CYS   7          2HB       CYS   7   2.905  -1.183   0.441
   53   2HB   CYS   7          1HB       CYS   7   3.135   0.452   0.936
   54    H    CYS   8           H        CYS   8   1.585   2.221   0.967
   55    HA   CYS   8           HA       CYS   8  -1.050   2.443   1.981
   56   1HB   CYS   8          2HB       CYS   8   0.588   3.703   3.056
   57   2HB   CYS   8          1HB       CYS   8   1.288   4.247   1.576
   58    H    ALA   9           H        ALA   9   0.547   4.281  -0.464
   59    HA   ALA   9           HA       ALA   9  -1.894   5.399  -1.611
   60   1HB   ALA   9          1HB       ALA   9   0.694   6.276  -1.479
   61   2HB   ALA   9          3HB       ALA   9   0.684   5.648  -3.114
   62   3HB   ALA   9          2HB       ALA   9  -0.466   6.886  -2.648
   63    H    GLY  10           H        GLY  10  -1.647   2.496  -1.688
   64   1HA   GLY  10          2HA       GLY  10  -1.116   1.720  -4.436
   65   2HA   GLY  10          1HA       GLY  10  -1.773   0.689  -3.167
   66    H    THR  11           H        THR  11  -3.621  -0.092  -3.890
   67    HA   THR  11           HA       THR  11  -5.773   1.751  -4.772
   68    HB   THR  11           HB       THR  11  -4.921  -0.731  -6.386
   69    HG1  THR  11           HG1      THR  11  -3.598   0.932  -6.828
   70   1HG2  THR  11          2HG2      THR  11  -7.101   1.411  -6.807
   71   2HG2  THR  11          1HG2      THR  11  -6.605   0.248  -8.027
   72   3HG2  THR  11          3HG2      THR  11  -7.400  -0.303  -6.563
   73    H    LYS  12           H        LYS  12  -7.209   1.490  -3.311
   74    HA   LYS  12           HA       LYS  12  -7.690  -0.629  -1.573
   75   1HB   LYS  12          2HB       LYS  12  -9.415   1.569  -2.678
   76   2HB   LYS  12          1HB       LYS  12 -10.210   0.294  -1.781
   77   1HG   LYS  12          2HG       LYS  12  -8.458   0.675   0.081
   78   2HG   LYS  12          1HG       LYS  12  -7.983   2.102  -0.817
   79   1HD   LYS  12          2HD       LYS  12  -9.552   2.893   0.801
   80   2HD   LYS  12          1HD       LYS  12 -10.415   2.855  -0.716
   81   1HE   LYS  12          2HE       LYS  12 -10.587   0.342   0.906
   82   2HE   LYS  12          1HE       LYS  12 -11.400   1.749   1.567
   83   1HZ   LYS  12          2HZ       LYS  12 -12.259   1.932  -0.887
   84   2HZ   LYS  12          1HZ       LYS  12 -11.962   0.262  -0.871
   85   3HZ   LYS  12          3HZ       LYS  12 -13.025   0.947   0.261
   86    H    GLY  13           H        GLY  13  -7.811  -2.608  -2.124
   87   1HA   GLY  13          2HA       GLY  13  -9.669  -4.267  -2.757
   88   2HA   GLY  13          1HA       GLY  13  -9.669  -3.473  -4.322
   89    H    CYS  14           H        CYS  14  -6.644  -3.227  -4.208
   90    HA   CYS  14           HA       CYS  14  -6.074  -6.061  -4.973
   91   1HB   CYS  14          2HB       CYS  14  -4.870  -3.462  -5.925
   92   2HB   CYS  14          1HB       CYS  14  -4.295  -5.041  -6.395
   93    H    LYS  15           H        LYS  15  -4.526  -7.129  -4.039
   94    HA   LYS  15           HA       LYS  15  -3.185  -6.042  -1.687
   95   1HB   LYS  15          2HB       LYS  15  -2.969  -8.768  -3.029
   96   2HB   LYS  15          1HB       LYS  15  -2.359  -8.381  -1.440
   97   1HG   LYS  15          2HG       LYS  15  -4.931  -7.552  -1.108
   98   2HG   LYS  15          1HG       LYS  15  -5.199  -8.735  -2.369
   99   1HD   LYS  15          2HD       LYS  15  -4.288 -10.518  -1.045
  100   2HD   LYS  15          1HD       LYS  15  -3.609  -9.405   0.134
  101   1HE   LYS  15          2HE       LYS  15  -5.717  -8.891   1.064
  102   2HE   LYS  15          1HE       LYS  15  -6.598  -9.422  -0.363
  103   1HZ   LYS  15          2HZ       LYS  15  -4.986 -11.355   1.139
  104   2HZ   LYS  15          1HZ       LYS  15  -6.517 -10.899   1.717
  105   3HZ   LYS  15          3HZ       LYS  15  -6.364 -11.605   0.179
  106    OH   TYR  16           OH       TYR  16  -1.725   0.335  -6.612
  107    H    TYR  16           H        TYR  16  -1.610  -4.604  -2.219
  108    HA   TYR  16           HA       TYR  16   0.101  -4.808  -4.503
  109   1HB   TYR  16          2HB       TYR  16   0.114  -3.177  -1.938
  110   2HB   TYR  16          1HB       TYR  16   1.589  -3.224  -2.886
  111    HD1  TYR  16           HD1      TYR  16  -2.094  -3.090  -3.686
  112    HD2  TYR  16           HD2      TYR  16   1.760  -1.406  -4.343
  113    HE1  TYR  16           HE1      TYR  16  -3.060  -1.516  -5.276
  114    HE2  TYR  16           HE2      TYR  16   0.793   0.169  -5.927
  115    HH   TYR  16           HH       TYR  16  -1.000   0.660  -7.151
  116    H    PHE  17           H        PHE  17   1.556  -6.235  -4.872
  117    HA   PHE  17           HA       PHE  17   3.123  -7.460  -2.688
  118   1HB   PHE  17          2HB       PHE  17   1.623  -9.160  -3.114
  119   2HB   PHE  17          1HB       PHE  17   1.251  -8.606  -4.724
  120    HD1  PHE  17           HD2      PHE  17   3.173  -8.933  -6.488
  121    HD2  PHE  17           HD1      PHE  17   2.816 -11.170  -2.883
  122    HE1  PHE  17           HE2      PHE  17   4.510 -10.718  -7.461
  123    HE2  PHE  17           HE1      PHE  17   4.155 -12.957  -3.851
  124    HZ   PHE  17           HZ       PHE  17   5.016 -12.732  -6.173
  125    H    SER  18           H        SER  18   5.072  -8.411  -3.289
  126    HA   SER  18           HA       SER  18   6.468  -6.918  -5.430
  127   1HB   SER  18          2HB       SER  18   7.524  -6.492  -3.337
  128   2HB   SER  18          1HB       SER  18   7.440  -8.186  -2.843
  129    HG   SER  18           HG       SER  18   8.948  -6.970  -4.866
  130    H    ASP  19           H        ASP  19   7.230  -7.879  -7.065
  131    HA   ASP  19           HA       ASP  19   6.669 -10.369  -8.065
  132   1HB   ASP  19          2HB       ASP  19   8.778  -9.989  -9.543
  133   2HB   ASP  19          1HB       ASP  19   7.497  -8.805  -9.596
  134    H    ASP  20           H        ASP  20   9.107  -9.739  -5.709
  135    HA   ASP  20           HA       ASP  20  10.949 -11.816  -6.181
  136   1HB   ASP  20          2HB       ASP  20  11.653 -11.470  -3.924
  137   2HB   ASP  20          1HB       ASP  20  10.967  -9.924  -4.385
  138    H    GLY  21           H        GLY  21   7.762 -11.887  -4.875
  139   1HA   GLY  21          2HA       GLY  21   6.462 -13.984  -5.179
  140   2HA   GLY  21          1HA       GLY  21   7.851 -14.853  -4.524
  141    H    THR  22           H        THR  22   6.773 -11.715  -3.331
  142    HA   THR  22           HA       THR  22   5.517 -12.987  -0.971
  143    HB   THR  22           HB       THR  22   7.880 -11.079  -0.866
  144    HG1  THR  22           HG1      THR  22   8.778 -12.947  -0.868
  145   1HG2  THR  22          1HG2      THR  22   6.060 -12.237   1.335
  146   2HG2  THR  22          3HG2      THR  22   7.688 -11.673   1.680
  147   3HG2  THR  22          2HG2      THR  22   6.477 -10.546   1.099
  148    H    PHE  23           H        PHE  23   3.977 -11.854  -0.038
  149    HA   PHE  23           HA       PHE  23   2.842  -9.584  -1.436
  150   1HB   PHE  23          2HB       PHE  23   1.366 -11.219  -0.513
  151   2HB   PHE  23          1HB       PHE  23   2.181 -11.209   1.028
  152    HD1  PHE  23           HD2      PHE  23   0.533  -8.655  -1.211
  153    HD2  PHE  23           HD1      PHE  23   0.972 -10.183   2.747
  154    HE1  PHE  23           HE2      PHE  23  -1.065  -6.999  -0.385
  155    HE2  PHE  23           HE1      PHE  23  -0.631  -8.516   3.565
  156    HZ   PHE  23           HZ       PHE  23  -1.647  -6.921   2.000
  157    H    VAL  24           H        VAL  24   2.979  -7.498  -0.915
  158    HA   VAL  24           HA       VAL  24   4.949  -6.665   1.116
  159    HB   VAL  24           HB       VAL  24   3.499  -5.113  -1.098
  160   1HG1  VAL  24          3HG1      VAL  24   5.833  -4.356   0.662
  161   2HG1  VAL  24          2HG1      VAL  24   5.349  -3.480  -0.781
  162   3HG1  VAL  24          1HG1      VAL  24   4.258  -3.568   0.591
  163   1HG2  VAL  24          1HG2      VAL  24   5.210  -7.052  -1.694
  164   2HG2  VAL  24          3HG2      VAL  24   5.356  -5.503  -2.491
  165   3HG2  VAL  24          2HG2      VAL  24   6.420  -5.908  -1.157
  166    H    CYS  25           H        CYS  25   1.795  -5.541   0.057
  167    HA   CYS  25           HA       CYS  25   0.467  -5.631   2.566
  168   1HB   CYS  25          2HB       CYS  25   0.895  -3.773   3.562
  169   2HB   CYS  25          1HB       CYS  25   2.188  -3.451   2.443
  170    H    GLU  26           H        GLU  26  -1.587  -4.239   2.434
  171    HA   GLU  26           HA       GLU  26  -2.701  -4.586  -0.284
  172   1HB   GLU  26          2HB       GLU  26  -3.829  -4.243   2.474
  173   2HB   GLU  26          1HB       GLU  26  -4.843  -3.848   1.111
  174   1HG   GLU  26          2HG       GLU  26  -5.120  -6.019   0.461
  175   2HG   GLU  26          1HG       GLU  26  -3.455  -6.461   0.773
  176    H    GLY  27           H        GLY  27  -3.798  -3.074  -1.416
  177   1HA   GLY  27          2HA       GLY  27  -2.741  -0.377  -1.351
  178   2HA   GLY  27          1HA       GLY  27  -4.036  -0.980  -2.405
  179    H    GLU  28           H        GLU  28  -3.513   1.213  -0.054
  180    HA   GLU  28           HA       GLU  28  -6.221   0.869   1.170
  181   1HB   GLU  28          2HB       GLU  28  -4.031   2.672   2.255
  182   2HB   GLU  28          1HB       GLU  28  -5.435   2.070   3.107
  183   1HG   GLU  28          2HG       GLU  28  -3.125   0.327   2.132
  184   2HG   GLU  28          1HG       GLU  28  -3.318   0.900   3.769
  185    H    SER  29           H        SER  29  -4.714   2.721  -1.142
  186    HA   SER  29           HA       SER  29  -6.116   5.247  -0.547
  187   1HB   SER  29          2HB       SER  29  -4.032   5.660  -1.595
  188   2HB   SER  29          1HB       SER  29  -4.193   4.296  -2.700
  189    HG   SER  29           HG       SER  29  -5.928   6.554  -2.756
  190    H    ASP  30           H        ASP  30  -8.172   5.595  -1.138
  191    HA   ASP  30           HA       ASP  30  -9.563   3.668  -2.835
  192   1HB   ASP  30          2HB       ASP  30 -10.616   4.966  -0.823
  193   2HB   ASP  30          1HB       ASP  30 -10.676   6.342  -1.902
  194    HA   PRO  31           HA       PRO  31  -8.367   6.023  -6.492
  195   1HB   PRO  31          2HB       PRO  31 -10.427   4.836  -8.135
  196   2HB   PRO  31          1HB       PRO  31  -8.722   4.431  -8.077
  197   1HG   PRO  31          2HG       PRO  31 -10.959   2.921  -6.982
  198   2HG   PRO  31          1HG       PRO  31  -9.270   2.447  -7.070
  199   1HD   PRO  31          2HD       PRO  31 -10.729   3.245  -4.723
  200   2HD   PRO  31          1HD       PRO  31  -9.001   2.862  -4.830
  201    NH1  ARG  32           NH1      ARG  32 -14.090   9.686  -9.158
  202    NH2  ARG  32           NH2      ARG  32 -15.280  11.624  -8.963
  203    H    ARG  32           H        ARG  32  -9.044   7.868  -5.474
  204    HA   ARG  32           HA       ARG  32 -10.866   9.549  -6.759
  205   1HB   ARG  32          2HB       ARG  32 -12.056   7.920  -4.571
  206   2HB   ARG  32          1HB       ARG  32 -12.252   9.628  -4.279
  207   1HG   ARG  32          2HG       ARG  32 -12.895   8.541  -7.019
  208   2HG   ARG  32          1HG       ARG  32 -14.030   8.291  -5.707
  209   1HD   ARG  32          2HD       ARG  32 -14.048  10.781  -5.298
  210   2HD   ARG  32          1HD       ARG  32 -12.966  10.991  -6.672
  211    HE   ARG  32           HE       ARG  32 -15.808  10.148  -6.804
  212   1HH1  ARG  32          2HH1      ARG  32 -13.698   8.873  -8.727
  213   2HH1  ARG  32          1HH1      ARG  32 -13.967   9.839 -10.138
  214   1HH2  ARG  32          1HH2      ARG  32 -15.787  12.264  -8.385
  215   2HH2  ARG  32          2HH2      ARG  32 -15.174  11.809  -9.940
  216    H    ASN  33           H        ASN  33  -9.333   8.686  -3.728
  217    HA   ASN  33           HA       ASN  33  -8.852  11.494  -3.008
  218   1HB   ASN  33          2HB       ASN  33  -7.728  10.437  -0.957
  219   2HB   ASN  33          1HB       ASN  33  -9.449  10.165  -1.129
  220   1HD2  ASN  33          2HD2      ASN  33  -8.936   6.743  -0.689
  221   2HD2  ASN  33          1HD2      ASN  33  -9.810   8.141  -0.292
  222    HA   PRO  34           HA       PRO  34  -4.461  11.090  -4.129
  223   1HB   PRO  34          2HB       PRO  34  -3.599  13.475  -2.969
  224   2HB   PRO  34          1HB       PRO  34  -4.320  13.360  -4.566
  225   1HG   PRO  34          2HG       PRO  34  -5.534  14.388  -2.045
  226   2HG   PRO  34          1HG       PRO  34  -5.967  14.753  -3.711
  227   1HD   PRO  34          2HD       PRO  34  -7.330  12.921  -1.939
  228   2HD   PRO  34          1HD       PRO  34  -7.665  13.193  -3.658
  229    H    LYS  35           H        LYS  35  -5.425   9.531  -2.112
  230    HA   LYS  35           HA       LYS  35  -4.155  10.068   0.439
  231   1HB   LYS  35          2HB       LYS  35  -6.188   8.609   0.180
  232   2HB   LYS  35          1HB       LYS  35  -5.225   7.440  -0.698
  233   1HG   LYS  35          2HG       LYS  35  -5.252   6.593   1.514
  234   2HG   LYS  35          1HG       LYS  35  -3.696   7.379   1.419
  235   1HD   LYS  35          2HD       LYS  35  -4.264   8.626   3.231
  236   2HD   LYS  35          1HD       LYS  35  -5.468   9.443   2.258
  237   1HE   LYS  35          2HE       LYS  35  -7.138   7.690   2.849
  238   2HE   LYS  35          1HE       LYS  35  -5.927   6.876   3.834
  239   1HZ   LYS  35          3HZ       LYS  35  -5.734   8.912   5.152
  240   2HZ   LYS  35          2HZ       LYS  35  -6.984   9.611   4.239
  241   3HZ   LYS  35          1HZ       LYS  35  -7.296   8.245   5.200
  242    H    ALA  36           H        ALA  36  -2.043  10.119   0.602
  243    HA   ALA  36           HA       ALA  36  -0.419   7.837  -0.257
  244   1HB   ALA  36          2HB       ALA  36   0.103  10.634  -1.363
  245   2HB   ALA  36          1HB       ALA  36   1.164   9.250  -1.585
  246   3HB   ALA  36          3HB       ALA  36  -0.441   9.249  -2.295
  247    H    CYS  37           H        CYS  37   0.492   7.400   1.551
  248    HA   CYS  37           HA       CYS  37   1.275   9.382   3.527
  249   1HB   CYS  37          2HB       CYS  37   2.232   6.538   3.768
  250   2HB   CYS  37          1HB       CYS  37   1.660   7.626   4.980
  251    HA   PRO  38           HA       PRO  38   5.665   8.080   2.093
  252   1HB   PRO  38          2HB       PRO  38   5.743   6.896  -0.491
  253   2HB   PRO  38          1HB       PRO  38   5.976   6.077   1.046
  254   1HG   PRO  38          2HG       PRO  38   3.686   5.919  -0.759
  255   2HG   PRO  38          1HG       PRO  38   3.998   4.961   0.682
  256   1HD   PRO  38          2HD       PRO  38   2.162   7.197   0.348
  257   2HD   PRO  38          1HD       PRO  38   2.357   6.169   1.775
  258    NH1  ARG  39           NH1      ARG  39   8.152  13.727  -4.221
  259    NH2  ARG  39           NH2      ARG  39   8.606  15.949  -4.099
  260    H    ARG  39           H        ARG  39   7.051   8.741   0.007
  261    HA   ARG  39           HA       ARG  39   5.737  10.982  -1.438
  262   1HB   ARG  39          2HB       ARG  39   6.979  11.713   0.748
  263   2HB   ARG  39          1HB       ARG  39   8.454  11.332  -0.107
  264   1HG   ARG  39          2HG       ARG  39   6.636  13.014  -1.742
  265   2HG   ARG  39          1HG       ARG  39   7.019  13.765  -0.210
  266   1HD   ARG  39          2HD       ARG  39   9.415  13.616  -0.650
  267   2HD   ARG  39          1HD       ARG  39   9.159  12.703  -2.126
  268    HE   ARG  39           HE       ARG  39   8.559  15.576  -1.708
  269   1HH1  ARG  39          2HH1      ARG  39   8.035  12.836  -3.788
  270   2HH1  ARG  39          1HH1      ARG  39   8.049  13.809  -5.213
  271   1HH2  ARG  39          1HH2      ARG  39   8.828  16.753  -3.549
  272   2HH2  ARG  39          2HH2      ARG  39   8.513  16.032  -5.092
  273    H    ASN  40           H        ASN  40   7.546   8.256  -1.594
  274    HA   ASN  40           HA       ASN  40   8.843   9.105  -4.155
  275   1HB   ASN  40          2HB       ASN  40   9.949   7.070  -2.175
  276   2HB   ASN  40          1HB       ASN  40  10.764   7.694  -3.603
  277   1HD2  ASN  40          2HD2      ASN  40  10.623   9.937  -0.195
  278   2HD2  ASN  40          1HD2      ASN  40   9.700   8.520  -0.332
  279    H    CYS  41           H        CYS  41   9.765   6.811  -5.033
  280    HA   CYS  41           HA       CYS  41   7.369   5.376  -5.978
  281   1HB   CYS  41          2HB       CYS  41  10.277   5.455  -6.810
  282   2HB   CYS  41          1HB       CYS  41   9.104   4.436  -7.596
  283    H    ASP  42           H        ASP  42   7.205   3.046  -5.938
  284    HA   ASP  42           HA       ASP  42   8.863   1.747  -3.814
  285   1HB   ASP  42          2HB       ASP  42   6.319   2.101  -3.497
  286   2HB   ASP  42          1HB       ASP  42   6.097   0.823  -4.673
  287    HA   PRO  43           HA       PRO  43   9.947  -0.234  -7.873
  288   1HB   PRO  43          2HB       PRO  43  12.586  -0.788  -6.897
  289   2HB   PRO  43          1HB       PRO  43  12.108   0.395  -8.101
  290   1HG   PRO  43          2HG       PRO  43  12.891   0.851  -5.317
  291   2HG   PRO  43          1HG       PRO  43  12.644   2.036  -6.592
  292   1HD   PRO  43          2HD       PRO  43  10.915   1.539  -4.367
  293   2HD   PRO  43          1HD       PRO  43  10.579   2.575  -5.768
  294    NH1  ARG  44           NH2      ARG  44   8.523  -1.230  -0.501
  295    NH2  ARG  44           NH1      ARG  44  10.163  -0.737   1.006
  296    H    ARG  44           H        ARG  44  10.286  -1.171  -4.570
  297    HA   ARG  44           HA       ARG  44  10.930  -3.926  -4.857
  298   1HB   ARG  44          2HB       ARG  44   9.085  -2.867  -2.689
  299   2HB   ARG  44          1HB       ARG  44  10.227  -4.188  -2.590
  300   1HG   ARG  44          2HG       ARG  44  12.029  -2.302  -3.120
  301   2HG   ARG  44          1HG       ARG  44  10.771  -1.215  -2.558
  302   1HD   ARG  44          2HD       ARG  44  12.004  -3.524  -0.990
  303   2HD   ARG  44          1HD       ARG  44  12.168  -1.808  -0.638
  304    HE   ARG  44           HE       ARG  44   9.910  -3.483   0.076
  305   1HH1  ARG  44          1HH2      ARG  44   8.149  -1.848  -1.193
  306   2HH1  ARG  44          2HH2      ARG  44   8.033  -0.389  -0.270
  307   1HH2  ARG  44          2HH1      ARG  44  11.025  -0.990   1.445
  308   2HH2  ARG  44          1HH1      ARG  44   9.700   0.113   1.260
  309    H    ILE  45           H        ILE  45   7.821  -2.258  -4.707
  310    HA   ILE  45           HA       ILE  45   6.202  -4.616  -4.955
  311    HB   ILE  45           HB       ILE  45   5.805  -1.626  -5.140
  312   1HG1  ILE  45          2HG1      ILE  45   4.026  -3.646  -3.752
  313   2HG1  ILE  45          1HG1      ILE  45   5.630  -3.362  -3.117
  314   1HG2  ILE  45          2HG2      ILE  45   3.668  -3.587  -6.112
  315   2HG2  ILE  45          1HG2      ILE  45   3.401  -1.885  -5.770
  316   3HG2  ILE  45          3HG2      ILE  45   4.446  -2.353  -7.092
  317   1HD1  ILE  45          3HD1      ILE  45   4.587  -0.754  -3.520
  318   2HD1  ILE  45          2HD1      ILE  45   3.262  -1.676  -2.843
  319   3HD1  ILE  45          1HD1      ILE  45   4.783  -1.584  -1.987
  320    H    ALA  46           H        ALA  46   5.006  -5.274  -6.746
  321    HA   ALA  46           HA       ALA  46   6.137  -4.566  -9.415
  322   1HB   ALA  46          3HB       ALA  46   7.148  -6.642  -8.461
  323   2HB   ALA  46          2HB       ALA  46   5.568  -7.395  -8.471
  324   3HB   ALA  46          1HB       ALA  46   6.322  -6.916  -9.986
  325    OH   TYR  47           OH       TYR  47   6.397  -9.754 -11.645
  326    H    TYR  47           H        TYR  47   3.500  -6.231  -7.751
  327    HA   TYR  47           HA       TYR  47   1.580  -5.073  -9.673
  328   1HB   TYR  47          2HB       TYR  47   0.997  -7.970  -9.371
  329   2HB   TYR  47          1HB       TYR  47   0.995  -6.984 -10.812
  330    HD1  TYR  47           HD1      TYR  47   3.100  -6.697 -12.134
  331    HD2  TYR  47           HD2      TYR  47   2.939  -9.296  -8.765
  332    HE1  TYR  47           HE1      TYR  47   5.172  -7.774 -12.866
  333    HE2  TYR  47           HE2      TYR  47   5.014 -10.374  -9.505
  334    HH   TYR  47           HH       TYR  47   6.949  -9.087 -12.061
  335    H    GLY  48           H        GLY  48  -0.687  -5.897  -9.142
  336   1HA   GLY  48          2HA       GLY  48  -1.037  -5.976  -6.164
  337   2HA   GLY  48          1HA       GLY  48  -2.095  -5.070  -7.237
  338    H    ILE  49           H        ILE  49  -1.572  -8.008  -5.703
  339    HA   ILE  49           HA       ILE  49  -3.070  -9.727  -7.537
  340    HB   ILE  49           HB       ILE  49  -2.265 -10.180  -4.617
  341   1HG1  ILE  49          2HG1      ILE  49  -0.212  -9.769  -5.861
  342   2HG1  ILE  49          1HG1      ILE  49  -0.325 -11.482  -5.551
  343   1HG2  ILE  49          2HG2      ILE  49  -3.306 -12.043  -6.777
  344   2HG2  ILE  49          1HG2      ILE  49  -2.374 -12.653  -5.419
  345   3HG2  ILE  49          3HG2      ILE  49  -3.894 -11.827  -5.139
  346   1HD1  ILE  49          1HD1      ILE  49  -1.381 -11.663  -7.934
  347   2HD1  ILE  49          3HD1      ILE  49  -0.782 -10.028  -8.170
  348   3HD1  ILE  49          2HD1      ILE  49   0.338 -11.333  -7.829
  349    H    CYS  50           H        CYS  50  -4.989  -8.669  -7.802
  350    HA   CYS  50           HA       CYS  50  -6.709  -7.984  -5.525
  351   1HB   CYS  50          2HB       CYS  50  -7.735  -8.002  -8.340
  352   2HB   CYS  50          1HB       CYS  50  -8.007  -6.840  -7.074
  353    HA   PRO  51           HA       PRO  51  -9.047 -11.804  -5.508
  354   1HB   PRO  51          2HB       PRO  51 -11.653 -10.590  -5.263
  355   2HB   PRO  51          1HB       PRO  51 -10.674 -11.309  -3.994
  356   1HG   PRO  51          2HG       PRO  51 -11.178  -8.487  -4.477
  357   2HG   PRO  51          1HG       PRO  51 -10.285  -9.211  -3.148
  358   1HD   PRO  51          2HD       PRO  51  -9.214  -7.766  -5.411
  359   2HD   PRO  51          1HD       PRO  51  -8.300  -8.523  -4.090
  360    H    LEU  52           H        LEU  52  -9.931  -9.146  -7.522
  361    HA   LEU  52           HA       LEU  52 -11.463 -10.771  -9.441
  362   1HB   LEU  52          2HB       LEU  52 -11.823  -8.237  -8.739
  363   2HB   LEU  52          1HB       LEU  52 -10.533  -7.908  -9.868
  364    HG   LEU  52           HG       LEU  52 -11.984  -9.359 -11.564
  365   1HD1  LEU  52          3HD1      LEU  52 -14.088  -8.515  -9.516
  366   2HD1  LEU  52          2HD1      LEU  52 -14.426  -9.203 -11.095
  367   3HD1  LEU  52          1HD1      LEU  52 -13.622 -10.170  -9.874
  368   1HD2  LEU  52          2HD2      LEU  52 -12.862  -6.577 -10.674
  369   2HD2  LEU  52          1HD2      LEU  52 -11.570  -6.926 -11.811
  370   3HD2  LEU  52          3HD2      LEU  52 -13.230  -7.311 -12.227
  371    H    ALA  53           H        ALA  53  -8.709 -11.402  -8.852
  372    HA   ALA  53           HA       ALA  53  -7.653 -11.605 -11.576
  373   1HB   ALA  53          2HB       ALA  53  -6.758  -9.424 -10.346
  374   2HB   ALA  53          1HB       ALA  53  -5.756 -10.551  -9.450
  375   3HB   ALA  53          3HB       ALA  53  -5.616 -10.449 -11.197
   
  Start of MODEL          18
 Raw file had  375 H/Q atoms
  Start of MODEL   18
    1   1H    ASP   1          2H        ASP   1   8.305   1.329 -19.100
    2   2H    ASP   1          1H        ASP   1   7.328   2.312 -20.079
    3   3H    ASP   1          3H        ASP   1   8.732   2.949 -19.369
    4    HA   ASP   1           HA       ASP   1   6.981   3.763 -18.099
    5   1HB   ASP   1          2HB       ASP   1   5.296   2.062 -18.966
    6   2HB   ASP   1          1HB       ASP   1   5.969   0.889 -17.845
    7    NH1  ARG   2           NH2      ARG   2   9.832   4.707 -18.103
    8    NH2  ARG   2           NH1      ARG   2   8.846   6.742 -18.433
    9    H    ARG   2           H        ARG   2   6.610   3.423 -15.705
   10    HA   ARG   2           HA       ARG   2   8.692   1.790 -14.363
   11   1HB   ARG   2          2HB       ARG   2   9.309   3.843 -12.979
   12   2HB   ARG   2          1HB       ARG   2   9.839   3.878 -14.641
   13   1HG   ARG   2          2HG       ARG   2   7.148   5.079 -14.401
   14   2HG   ARG   2          1HG       ARG   2   8.264   5.838 -13.292
   15   1HD   ARG   2          2HD       ARG   2   8.484   7.096 -15.301
   16   2HD   ARG   2          1HD       ARG   2   9.884   6.030 -15.339
   17    HE   ARG   2           HE       ARG   2   7.467   4.990 -16.667
   18   1HH1  ARG   2          1HH2      ARG   2   9.927   3.882 -17.547
   19   2HH1  ARG   2          2HH2      ARG   2  10.371   4.816 -18.938
   20   1HH2  ARG   2          2HH1      ARG   2   8.202   7.442 -18.124
   21   2HH2  ARG   2          1HH1      ARG   2   9.371   6.879 -19.274
   22    H    ILE   3           H        ILE   3   7.959   0.873 -12.556
   23    HA   ILE   3           HA       ILE   3   5.214   1.206 -11.732
   24    HB   ILE   3           HB       ILE   3   6.444  -0.976 -11.578
   25   1HG1  ILE   3          2HG1      ILE   3   5.821  -1.555  -9.167
   26   2HG1  ILE   3          1HG1      ILE   3   5.444   0.134  -8.916
   27   1HG2  ILE   3          2HG2      ILE   3   8.645   0.267 -10.704
   28   2HG2  ILE   3          1HG2      ILE   3   7.948  -0.092  -9.135
   29   3HG2  ILE   3          3HG2      ILE   3   8.306  -1.394 -10.249
   30   1HD1  ILE   3          1HD1      ILE   3   4.208  -1.369 -11.247
   31   2HD1  ILE   3          3HD1      ILE   3   3.515  -1.497  -9.639
   32   3HD1  ILE   3          2HD1      ILE   3   3.614   0.069 -10.429
   33    H    CYS   4           H        CYS   4   4.667   3.116 -10.843
   34    HA   CYS   4           HA       CYS   4   6.349   4.128  -8.620
   35   1HB   CYS   4          2HB       CYS   4   5.060   5.437 -10.971
   36   2HB   CYS   4          1HB       CYS   4   5.037   6.364  -9.497
   37    H    THR   5           H        THR   5   4.208   2.332  -8.524
   38    HA   THR   5           HA       THR   5   2.085   3.750  -6.996
   39    HB   THR   5           HB       THR   5   1.501   1.827  -8.633
   40    HG1  THR   5           HG1      THR   5   0.597   2.454  -6.255
   41   1HG2  THR   5          2HG2      THR   5   3.499   0.320  -7.726
   42   2HG2  THR   5          1HG2      THR   5   2.440   0.006  -6.361
   43   3HG2  THR   5          3HG2      THR   5   1.945  -0.454  -7.981
   44    H    ASN   6           H        ASN   6   1.647   3.031  -4.794
   45    HA   ASN   6           HA       ASN   6   3.894   1.723  -3.338
   46   1HB   ASN   6          2HB       ASN   6   2.624   4.224  -2.159
   47   2HB   ASN   6          1HB       ASN   6   4.165   3.489  -1.763
   48   1HD2  ASN   6          2HD2      ASN   6   4.238   6.580  -4.175
   49   2HD2  ASN   6          1HD2      ASN   6   3.034   6.231  -3.030
   50    H    CYS   7           H        CYS   7   3.233   1.040  -1.131
   51    HA   CYS   7           HA       CYS   7   0.769  -0.318  -1.133
   52   1HB   CYS   7          2HB       CYS   7   2.400  -1.143   0.328
   53   2HB   CYS   7          1HB       CYS   7   2.804   0.431   0.928
   54    H    CYS   8           H        CYS   8   1.690   2.794   0.032
   55    HA   CYS   8           HA       CYS   8  -0.804   3.453   1.386
   56   1HB   CYS   8          2HB       CYS   8   1.231   4.472   2.074
   57   2HB   CYS   8          1HB       CYS   8   1.647   4.952   0.471
   58    H    ALA   9           H        ALA   9   0.817   4.728  -1.437
   59    HA   ALA   9           HA       ALA   9  -1.705   5.650  -2.691
   60   1HB   ALA   9          1HB       ALA   9   0.422   7.091  -2.631
   61   2HB   ALA   9          3HB       ALA   9   1.170   5.923  -3.707
   62   3HB   ALA   9          2HB       ALA   9  -0.226   6.842  -4.243
   63    H    GLY  10           H        GLY  10  -2.195   3.300  -2.668
   64   1HA   GLY  10          2HA       GLY  10  -1.131   1.881  -5.084
   65   2HA   GLY  10          1HA       GLY  10  -1.748   1.079  -3.675
   66    H    THR  11           H        THR  11  -3.745   0.388  -3.751
   67    HA   THR  11           HA       THR  11  -5.975   1.573  -5.133
   68    HB   THR  11           HB       THR  11  -4.602  -0.854  -6.439
   69    HG1  THR  11           HG1      THR  11  -4.004   1.020  -7.337
   70   1HG2  THR  11          3HG2      THR  11  -7.443   0.268  -6.835
   71   2HG2  THR  11          2HG2      THR  11  -6.644  -0.779  -7.997
   72   3HG2  THR  11          1HG2      THR  11  -7.052  -1.388  -6.405
   73    H    LYS  12           H        LYS  12  -7.301   1.308  -3.527
   74    HA   LYS  12           HA       LYS  12  -7.485  -0.417  -1.459
   75   1HB   LYS  12          2HB       LYS  12  -9.023   1.498  -1.906
   76   2HB   LYS  12          1HB       LYS  12  -9.889   0.514  -3.063
   77   1HG   LYS  12          2HG       LYS  12 -11.130  -0.399  -1.401
   78   2HG   LYS  12          1HG       LYS  12  -9.701  -0.990  -0.585
   79   1HD   LYS  12          2HD       LYS  12 -10.576   1.914  -0.327
   80   2HD   LYS  12          1HD       LYS  12 -11.241   0.664   0.704
   81   1HE   LYS  12          2HE       LYS  12  -8.241   1.027   0.417
   82   2HE   LYS  12          1HE       LYS  12  -9.174   1.913   1.619
   83   1HZ   LYS  12          2HZ       LYS  12  -9.988  -0.695   1.847
   84   2HZ   LYS  12          1HZ       LYS  12  -8.306  -0.775   1.632
   85   3HZ   LYS  12          3HZ       LYS  12  -8.958   0.153   2.902
   86    H    GLY  13           H        GLY  13  -7.915  -2.478  -1.061
   87   1HA   GLY  13          2HA       GLY  13  -8.827  -4.629  -1.316
   88   2HA   GLY  13          1HA       GLY  13  -9.493  -4.161  -2.866
   89    H    CYS  14           H        CYS  14  -6.601  -3.275  -3.732
   90    HA   CYS  14           HA       CYS  14  -5.925  -5.914  -4.776
   91   1HB   CYS  14          2HB       CYS  14  -4.636  -3.196  -5.070
   92   2HB   CYS  14          1HB       CYS  14  -4.022  -4.634  -5.835
   93    H    LYS  15           H        LYS  15  -4.536  -7.292  -3.949
   94    HA   LYS  15           HA       LYS  15  -3.155  -6.687  -1.453
   95   1HB   LYS  15          2HB       LYS  15  -2.943  -9.176  -3.213
   96   2HB   LYS  15          1HB       LYS  15  -2.520  -9.062  -1.519
   97   1HG   LYS  15          2HG       LYS  15  -5.037  -8.375  -1.182
   98   2HG   LYS  15          1HG       LYS  15  -5.281  -9.014  -2.784
   99   1HD   LYS  15          2HD       LYS  15  -5.537 -11.038  -1.778
  100   2HD   LYS  15          1HD       LYS  15  -3.797 -11.046  -1.572
  101   1HE   LYS  15          2HE       LYS  15  -4.202  -9.751   0.639
  102   2HE   LYS  15          1HE       LYS  15  -5.902 -10.156   0.433
  103   1HZ   LYS  15          2HZ       LYS  15  -3.729 -12.160   0.440
  104   2HZ   LYS  15          1HZ       LYS  15  -4.626 -11.728   1.816
  105   3HZ   LYS  15          3HZ       LYS  15  -5.402 -12.449   0.489
  106    OH   TYR  16           OH       TYR  16  -3.188   0.118  -1.955
  107    H    TYR  16           H        TYR  16  -1.645  -5.072  -1.987
  108    HA   TYR  16           HA       TYR  16   0.103  -5.062  -4.205
  109   1HB   TYR  16          2HB       TYR  16   0.930  -4.250  -1.435
  110   2HB   TYR  16          1HB       TYR  16   1.547  -3.600  -2.948
  111    HD1  TYR  16           HD1      TYR  16  -0.867  -2.872  -4.481
  112    HD2  TYR  16           HD2      TYR  16  -0.125  -2.709  -0.320
  113    HE1  TYR  16           HE1      TYR  16  -2.536  -1.095  -4.254
  114    HE2  TYR  16           HE2      TYR  16  -1.778  -0.938  -0.072
  115    HH   TYR  16           HH       TYR  16  -2.844   0.728  -1.298
  116    H    PHE  17           H        PHE  17   1.801  -6.219  -4.713
  117    HA   PHE  17           HA       PHE  17   3.213  -7.804  -2.683
  118   1HB   PHE  17          2HB       PHE  17   1.668  -9.394  -3.201
  119   2HB   PHE  17          1HB       PHE  17   1.324  -8.768  -4.793
  120    HD1  PHE  17           HD1      PHE  17   3.287  -9.059  -6.543
  121    HD2  PHE  17           HD2      PHE  17   2.778 -11.424  -3.040
  122    HE1  PHE  17           HE1      PHE  17   4.588 -10.840  -7.555
  123    HE2  PHE  17           HE2      PHE  17   4.076 -13.210  -4.040
  124    HZ   PHE  17           HZ       PHE  17   5.001 -12.926  -6.340
  125    H    SER  18           H        SER  18   5.134  -8.641  -3.342
  126    HA   SER  18           HA       SER  18   6.520  -7.069  -5.427
  127   1HB   SER  18          2HB       SER  18   7.457  -6.678  -3.250
  128   2HB   SER  18          1HB       SER  18   7.518  -8.410  -2.888
  129    HG   SER  18           HG       SER  18   9.153  -8.621  -4.093
  130    H    ASP  19           H        ASP  19   7.236  -8.046  -7.083
  131    HA   ASP  19           HA       ASP  19   6.666 -10.415  -8.222
  132   1HB   ASP  19          2HB       ASP  19   8.646 -10.066  -9.696
  133   2HB   ASP  19          1HB       ASP  19   7.722  -8.603  -9.436
  134    H    ASP  20           H        ASP  20   9.261 -10.188  -5.870
  135    HA   ASP  20           HA       ASP  20  10.741 -12.491  -6.630
  136   1HB   ASP  20          2HB       ASP  20  11.613 -12.512  -4.359
  137   2HB   ASP  20          1HB       ASP  20  11.404 -10.833  -4.825
  138    H    GLY  21           H        GLY  21   7.717 -12.213  -4.973
  139   1HA   GLY  21          2HA       GLY  21   6.182 -14.197  -5.232
  140   2HA   GLY  21          1HA       GLY  21   7.528 -15.186  -4.666
  141    H    THR  22           H        THR  22   6.690 -11.969  -3.492
  142    HA   THR  22           HA       THR  22   5.650 -13.130  -0.966
  143    HB   THR  22           HB       THR  22   8.037 -11.250  -1.217
  144    HG1  THR  22           HG1      THR  22   7.454 -13.871  -0.346
  145   1HG2  THR  22          1HG2      THR  22   6.382 -12.112   1.233
  146   2HG2  THR  22          3HG2      THR  22   8.048 -11.569   1.373
  147   3HG2  THR  22          2HG2      THR  22   6.816 -10.469   0.785
  148    H    PHE  23           H        PHE  23   4.040 -12.071  -0.123
  149    HA   PHE  23           HA       PHE  23   2.843  -9.833  -1.487
  150   1HB   PHE  23          2HB       PHE  23   1.400 -11.423  -0.522
  151   2HB   PHE  23          1HB       PHE  23   2.312 -11.509   0.952
  152    HD1  PHE  23           HD1      PHE  23  -0.231  -9.571  -0.896
  153    HD2  PHE  23           HD2      PHE  23   1.988  -9.832   2.738
  154    HE1  PHE  23           HE1      PHE  23  -1.758  -7.964   0.166
  155    HE2  PHE  23           HE2      PHE  23   0.458  -8.229   3.784
  156    HZ   PHE  23           HZ       PHE  23  -1.416  -7.298   2.502
  157    H    VAL  24           H        VAL  24   2.632  -7.749  -0.754
  158    HA   VAL  24           HA       VAL  24   4.713  -6.791   1.142
  159    HB   VAL  24           HB       VAL  24   3.221  -5.374  -1.136
  160   1HG1  VAL  24          1HG1      VAL  24   5.432  -4.462   0.726
  161   2HG1  VAL  24          3HG1      VAL  24   5.131  -3.697  -0.821
  162   3HG1  VAL  24          2HG1      VAL  24   3.882  -3.677   0.411
  163   1HG2  VAL  24          1HG2      VAL  24   5.057  -7.251  -1.631
  164   2HG2  VAL  24          3HG2      VAL  24   5.124  -5.725  -2.489
  165   3HG2  VAL  24          2HG2      VAL  24   6.185  -6.015  -1.123
  166    H    CYS  25           H        CYS  25   1.568  -5.475   0.082
  167    HA   CYS  25           HA       CYS  25   0.476  -5.625   2.807
  168   1HB   CYS  25          2HB       CYS  25   0.788  -3.582   3.475
  169   2HB   CYS  25          1HB       CYS  25   1.922  -3.357   2.178
  170    H    GLU  26           H        GLU  26  -1.748  -4.378   2.766
  171    HA   GLU  26           HA       GLU  26  -3.138  -5.353   0.328
  172   1HB   GLU  26          2HB       GLU  26  -3.868  -5.065   3.168
  173   2HB   GLU  26          1HB       GLU  26  -5.160  -4.618   2.092
  174   1HG   GLU  26          2HG       GLU  26  -3.681  -7.204   1.527
  175   2HG   GLU  26          1HG       GLU  26  -4.896  -7.166   2.789
  176    H    GLY  27           H        GLY  27  -4.816  -4.353  -0.606
  177   1HA   GLY  27          2HA       GLY  27  -4.449  -1.793  -1.627
  178   2HA   GLY  27          1HA       GLY  27  -5.968  -2.649  -1.657
  179    H    GLU  28           H        GLU  28  -4.238  -0.138  -0.318
  180    HA   GLU  28           HA       GLU  28  -6.350   0.484   1.689
  181   1HB   GLU  28          2HB       GLU  28  -3.391   0.526   1.824
  182   2HB   GLU  28          1HB       GLU  28  -4.102   2.012   2.407
  183   1HG   GLU  28          2HG       GLU  28  -4.004   0.641   4.336
  184   2HG   GLU  28          1HG       GLU  28  -5.679   0.512   3.841
  185    H    SER  29           H        SER  29  -4.750   1.658  -1.112
  186    HA   SER  29           HA       SER  29  -5.313   4.465  -0.722
  187   1HB   SER  29          2HB       SER  29  -3.810   4.498  -2.449
  188   2HB   SER  29          1HB       SER  29  -4.019   2.767  -2.697
  189    HG   SER  29           HG       SER  29  -5.132   3.244  -4.400
  190    H    ASP  30           H        ASP  30  -7.281   5.358  -0.675
  191    HA   ASP  30           HA       ASP  30  -9.598   3.987  -1.792
  192   1HB   ASP  30          2HB       ASP  30 -10.251   5.131   0.110
  193   2HB   ASP  30          1HB       ASP  30  -9.111   6.433  -0.115
  194    HA   PRO  31           HA       PRO  31  -8.606   5.805  -5.760
  195   1HB   PRO  31          2HB       PRO  31 -10.811   4.823  -7.188
  196   2HB   PRO  31          1HB       PRO  31  -9.341   3.933  -6.836
  197   1HG   PRO  31          2HG       PRO  31 -12.019   3.675  -5.568
  198   2HG   PRO  31          1HG       PRO  31 -10.726   2.488  -5.677
  199   1HD   PRO  31          2HD       PRO  31 -11.388   4.039  -3.374
  200   2HD   PRO  31          1HD       PRO  31  -9.933   3.052  -3.602
  201    NH1  ARG  32           NH1      ARG  32 -15.224   8.305  -2.367
  202    NH2  ARG  32           NH2      ARG  32 -16.330  10.302  -2.483
  203    H    ARG  32           H        ARG  32  -9.044   7.860  -4.653
  204    HA   ARG  32           HA       ARG  32 -10.565   9.646  -6.196
  205   1HB   ARG  32          2HB       ARG  32 -12.485   8.644  -4.907
  206   2HB   ARG  32          1HB       ARG  32 -11.690   9.056  -3.405
  207   1HG   ARG  32          2HG       ARG  32 -11.882  11.381  -3.764
  208   2HG   ARG  32          1HG       ARG  32 -12.208  11.187  -5.479
  209   1HD   ARG  32          2HD       ARG  32 -14.298  11.755  -4.255
  210   2HD   ARG  32          1HD       ARG  32 -14.413  10.135  -4.936
  211    HE   ARG  32           HE       ARG  32 -13.419  10.295  -2.160
  212   1HH1  ARG  32          2HH1      ARG  32 -14.366   7.795  -2.430
  213   2HH1  ARG  32          1HH1      ARG  32 -16.076   7.827  -2.156
  214   1HH2  ARG  32          1HH2      ARG  32 -16.299  11.289  -2.637
  215   2HH2  ARG  32          2HH2      ARG  32 -17.200   9.857  -2.268
  216    H    ASN  33           H        ASN  33  -9.354   8.946  -2.933
  217    HA   ASN  33           HA       ASN  33  -8.257  11.648  -2.651
  218   1HB   ASN  33          2HB       ASN  33  -8.041  11.152  -0.381
  219   2HB   ASN  33          1HB       ASN  33  -9.336  10.050  -0.797
  220   1HD2  ASN  33          2HD2      ASN  33  -6.023   8.551   0.791
  221   2HD2  ASN  33          1HD2      ASN  33  -6.468  10.187   0.864
  222    HA   PRO  34           HA       PRO  34  -4.116  10.198  -3.824
  223   1HB   PRO  34          2HB       PRO  34  -2.710  12.427  -2.873
  224   2HB   PRO  34          1HB       PRO  34  -3.432  12.296  -4.468
  225   1HG   PRO  34          2HG       PRO  34  -4.371  13.873  -2.135
  226   2HG   PRO  34          1HG       PRO  34  -4.759  14.082  -3.838
  227   1HD   PRO  34          2HD       PRO  34  -6.438  12.867  -1.833
  228   2HD   PRO  34          1HD       PRO  34  -6.745  12.931  -3.578
  229    H    LYS  35           H        LYS  35  -4.407   8.534  -2.215
  230    HA   LYS  35           HA       LYS  35  -3.829   8.974   0.582
  231   1HB   LYS  35          2HB       LYS  35  -5.159   7.007  -0.324
  232   2HB   LYS  35          1HB       LYS  35  -3.701   6.391  -1.066
  233   1HG   LYS  35          2HG       LYS  35  -3.889   5.185   0.988
  234   2HG   LYS  35          1HG       LYS  35  -2.657   6.384   1.303
  235   1HD   LYS  35          2HD       LYS  35  -4.837   7.813   2.110
  236   2HD   LYS  35          1HD       LYS  35  -5.478   6.199   2.339
  237   1HE   LYS  35          2HE       LYS  35  -3.644   5.625   3.852
  238   2HE   LYS  35          1HE       LYS  35  -2.813   7.134   3.491
  239   1HZ   LYS  35          2HZ       LYS  35  -4.810   8.293   4.367
  240   2HZ   LYS  35          1HZ       LYS  35  -5.379   6.788   4.912
  241   3HZ   LYS  35          3HZ       LYS  35  -3.923   7.417   5.520
  242    H    ALA  36           H        ALA  36  -1.968  10.108   0.672
  243    HA   ALA  36           HA       ALA  36   0.560   8.857  -0.306
  244   1HB   ALA  36          3HB       ALA  36   0.056  11.123  -1.165
  245   2HB   ALA  36          2HB       ALA  36  -0.006  11.734   0.480
  246   3HB   ALA  36          1HB       ALA  36   1.508  11.128  -0.177
  247    H    CYS  37           H        CYS  37   2.277   8.672   0.976
  248    HA   CYS  37           HA       CYS  37   2.327   9.444   3.766
  249   1HB   CYS  37          2HB       CYS  37   2.673   6.472   3.534
  250   2HB   CYS  37          1HB       CYS  37   2.087   7.430   4.830
  251    HA   PRO  38           HA       PRO  38   6.490   7.452   2.718
  252   1HB   PRO  38          2HB       PRO  38   6.781   6.112   0.259
  253   2HB   PRO  38          1HB       PRO  38   6.349   5.351   1.780
  254   1HG   PRO  38          2HG       PRO  38   4.652   5.844  -0.571
  255   2HG   PRO  38          1HG       PRO  38   4.310   4.840   0.831
  256   1HD   PRO  38          2HD       PRO  38   3.355   7.556   0.263
  257   2HD   PRO  38          1HD       PRO  38   2.853   6.485   1.573
  258    NH1  ARG  39           NH2      ARG  39  11.921   8.671   3.519
  259    NH2  ARG  39           NH1      ARG  39  13.816   7.669   2.728
  260    H    ARG  39           H        ARG  39   8.085   7.498   0.368
  261    HA   ARG  39           HA       ARG  39   8.217  10.386  -0.102
  262   1HB   ARG  39          2HB       ARG  39   9.888   8.004  -1.045
  263   2HB   ARG  39          1HB       ARG  39  10.239   9.650  -1.541
  264   1HG   ARG  39          2HG       ARG  39  10.502  10.313   0.845
  265   2HG   ARG  39          1HG       ARG  39  10.146   8.667   1.344
  266   1HD   ARG  39          2HD       ARG  39  12.156   7.824   0.220
  267   2HD   ARG  39          1HD       ARG  39  12.461   9.400  -0.506
  268    HE   ARG  39           HE       ARG  39  13.302  10.167   1.566
  269   1HH1  ARG  39          1HH2      ARG  39  11.200   9.351   3.397
  270   2HH1  ARG  39          2HH2      ARG  39  11.930   8.090   4.333
  271   1HH2  ARG  39          2HH1      ARG  39  14.513   7.600   2.014
  272   2HH2  ARG  39          1HH1      ARG  39  13.858   7.070   3.528
  273    H    ASN  40           H        ASN  40   8.884   8.190  -2.717
  274    HA   ASN  40           HA       ASN  40   6.365   8.560  -4.130
  275   1HB   ASN  40          2HB       ASN  40   8.853  10.157  -4.874
  276   2HB   ASN  40          1HB       ASN  40   7.724   9.675  -6.130
  277   1HD2  ASN  40          2HD2      ASN  40   5.086  11.800  -4.910
  278   2HD2  ASN  40          1HD2      ASN  40   5.341  10.293  -5.648
  279    H    CYS  41           H        CYS  41   6.112   6.970  -5.547
  280    HA   CYS  41           HA       CYS  41   6.411   5.034  -6.719
  281   1HB   CYS  41          2HB       CYS  41   9.212   6.128  -7.074
  282   2HB   CYS  41          1HB       CYS  41   8.489   4.890  -8.073
  283    H    ASP  42           H        ASP  42   6.550   3.012  -6.048
  284    HA   ASP  42           HA       ASP  42   8.675   2.251  -4.092
  285   1HB   ASP  42          2HB       ASP  42   6.234   2.356  -3.306
  286   2HB   ASP  42          1HB       ASP  42   5.937   0.964  -4.331
  287    HA   PRO  43           HA       PRO  43   9.613  -0.282  -7.861
  288   1HB   PRO  43          2HB       PRO  43  12.291  -0.486  -6.720
  289   2HB   PRO  43          1HB       PRO  43  11.785   0.209  -8.251
  290   1HG   PRO  43          2HG       PRO  43  12.596   1.627  -5.894
  291   2HG   PRO  43          1HG       PRO  43  11.989   2.323  -7.389
  292   1HD   PRO  43          2HD       PRO  43  10.633   2.154  -4.831
  293   2HD   PRO  43          1HD       PRO  43  10.045   2.897  -6.333
  294    NH1  ARG  44           NH1      ARG  44   7.803  -1.617  -0.267
  295    NH2  ARG  44           NH2      ARG  44   9.417  -0.094   0.256
  296    H    ARG  44           H        ARG  44   9.972  -0.742  -4.461
  297    HA   ARG  44           HA       ARG  44  10.792  -3.451  -4.341
  298   1HB   ARG  44          2HB       ARG  44   9.836  -1.452  -2.529
  299   2HB   ARG  44          1HB       ARG  44   8.770  -2.824  -2.302
  300   1HG   ARG  44          2HG       ARG  44  10.480  -4.218  -1.528
  301   2HG   ARG  44          1HG       ARG  44  11.741  -3.332  -2.364
  302   1HD   ARG  44          2HD       ARG  44  11.872  -2.903   0.066
  303   2HD   ARG  44          1HD       ARG  44  11.464  -1.417  -0.778
  304    HE   ARG  44           HE       ARG  44   9.681  -2.970   0.993
  305   1HH1  ARG  44          2HH1      ARG  44   7.528  -2.571  -0.382
  306   2HH1  ARG  44          1HH1      ARG  44   7.143  -0.883  -0.430
  307   1HH2  ARG  44          1HH2      ARG  44  10.356   0.101   0.541
  308   2HH2  ARG  44          2HH2      ARG  44   8.775   0.653   0.091
  309    H    ILE  45           H        ILE  45   7.590  -2.016  -4.511
  310    HA   ILE  45           HA       ILE  45   6.191  -4.542  -4.766
  311    HB   ILE  45           HB       ILE  45   5.480  -1.598  -4.856
  312   1HG1  ILE  45          2HG1      ILE  45   3.893  -3.851  -3.610
  313   2HG1  ILE  45          1HG1      ILE  45   5.430  -3.398  -2.905
  314   1HG2  ILE  45          3HG2      ILE  45   3.654  -3.753  -6.032
  315   2HG2  ILE  45          2HG2      ILE  45   3.100  -2.161  -5.551
  316   3HG2  ILE  45          1HG2      ILE  45   4.250  -2.322  -6.861
  317   1HD1  ILE  45          3HD1      ILE  45   3.185  -1.390  -3.410
  318   2HD1  ILE  45          2HD1      ILE  45   3.464  -2.181  -1.868
  319   3HD1  ILE  45          1HD1      ILE  45   4.679  -1.100  -2.529
  320    H    ALA  46           H        ALA  46   5.224  -5.334  -6.560
  321    HA   ALA  46           HA       ALA  46   6.463  -4.572  -9.178
  322   1HB   ALA  46          1HB       ALA  46   5.365  -7.245  -8.192
  323   2HB   ALA  46          3HB       ALA  46   6.004  -6.951  -9.807
  324   3HB   ALA  46          2HB       ALA  46   7.056  -6.819  -8.411
  325    OH   TYR  47           OH       TYR  47   4.317 -10.911  -9.988
  326    H    TYR  47           H        TYR  47   3.582  -5.710  -7.541
  327    HA   TYR  47           HA       TYR  47   1.799  -3.989  -9.000
  328   1HB   TYR  47          2HB       TYR  47   0.520  -6.103 -10.072
  329   2HB   TYR  47          1HB       TYR  47   1.862  -5.381 -10.920
  330    HD1  TYR  47           HD1      TYR  47   1.051  -8.141  -8.522
  331    HD2  TYR  47           HD2      TYR  47   3.746  -6.690 -11.486
  332    HE1  TYR  47           HE1      TYR  47   2.229 -10.287  -8.514
  333    HE2  TYR  47           HE2      TYR  47   4.918  -8.834 -11.471
  334    HH   TYR  47           HH       TYR  47   5.185 -10.767  -9.603
  335    H    GLY  48           H        GLY  48  -0.582  -5.217  -8.726
  336   1HA   GLY  48          2HA       GLY  48  -0.701  -6.066  -5.850
  337   2HA   GLY  48          1HA       GLY  48  -1.836  -4.911  -6.538
  338    H    ILE  49           H        ILE  49  -1.497  -8.029  -5.651
  339    HA   ILE  49           HA       ILE  49  -2.941  -9.332  -7.836
  340    HB   ILE  49           HB       ILE  49  -2.269 -10.268  -4.990
  341   1HG1  ILE  49          2HG1      ILE  49  -0.176  -9.859  -6.184
  342   2HG1  ILE  49          1HG1      ILE  49  -0.428 -11.581  -6.074
  343   1HG2  ILE  49          1HG2      ILE  49  -3.463 -11.710  -7.374
  344   2HG2  ILE  49          3HG2      ILE  49  -2.559 -12.597  -6.158
  345   3HG2  ILE  49          2HG2      ILE  49  -4.003 -11.713  -5.706
  346   1HD1  ILE  49          1HD1      ILE  49  -1.513 -11.357  -8.464
  347   2HD1  ILE  49          3HD1      ILE  49  -0.696  -9.801  -8.506
  348   3HD1  ILE  49          2HD1      ILE  49   0.232 -11.280  -8.321
  349    H    CYS  50           H        CYS  50  -4.720  -7.970  -7.962
  350    HA   CYS  50           HA       CYS  50  -6.500  -7.563  -5.697
  351   1HB   CYS  50          2HB       CYS  50  -7.356  -7.075  -8.532
  352   2HB   CYS  50          1HB       CYS  50  -7.709  -6.148  -7.102
  353    HA   PRO  51           HA       PRO  51  -8.595 -11.452  -6.233
  354   1HB   PRO  51          2HB       PRO  51 -11.019 -10.576  -4.944
  355   2HB   PRO  51          1HB       PRO  51  -9.716 -11.535  -4.262
  356   1HG   PRO  51          2HG       PRO  51 -10.332  -8.733  -3.758
  357   2HG   PRO  51          1HG       PRO  51  -9.121  -9.735  -2.970
  358   1HD   PRO  51          2HD       PRO  51  -8.660  -7.635  -4.892
  359   2HD   PRO  51          1HD       PRO  51  -7.453  -8.708  -4.157
  360    H    LEU  52           H        LEU  52 -10.238 -12.377  -7.450
  361    HA   LEU  52           HA       LEU  52 -11.977 -10.606  -9.074
  362   1HB   LEU  52          2HB       LEU  52  -9.569 -11.806 -10.057
  363   2HB   LEU  52          1HB       LEU  52 -10.852 -12.791 -10.705
  364    HG   LEU  52           HG       LEU  52 -10.281 -11.010 -12.274
  365   1HD1  LEU  52          2HD1      LEU  52 -12.731 -11.745 -11.959
  366   2HD1  LEU  52          1HD1      LEU  52 -12.974 -10.229 -11.103
  367   3HD1  LEU  52          3HD1      LEU  52 -12.470 -10.219 -12.783
  368   1HD2  LEU  52          3HD2      LEU  52  -9.504  -9.399 -10.402
  369   2HD2  LEU  52          2HD2      LEU  52 -10.318  -8.689 -11.783
  370   3HD2  LEU  52          1HD2      LEU  52 -11.186  -8.911 -10.276
  371    H    ALA  53           H        ALA  53 -13.745 -11.634 -10.001
  372    HA   ALA  53           HA       ALA  53 -14.395 -14.386  -9.085
  373   1HB   ALA  53          2HB       ALA  53 -15.337 -12.816  -7.406
  374   2HB   ALA  53          1HB       ALA  53 -16.176 -11.945  -8.679
  375   3HB   ALA  53          3HB       ALA  53 -16.625 -13.602  -8.305
   
  Start of MODEL          19
 Raw file had  375 H/Q atoms
  Start of MODEL   19
    1   1H    ASP   1          1H        ASP   1  10.047   3.047 -15.183
    2   2H    ASP   1          3H        ASP   1  11.115   4.208 -15.815
    3   3H    ASP   1          2H        ASP   1  11.349   2.561 -16.162
    4    HA   ASP   1           HA       ASP   1  11.809   2.101 -13.854
    5   1HB   ASP   1          2HB       ASP   1  13.990   3.494 -13.735
    6   2HB   ASP   1          1HB       ASP   1  13.758   2.593 -15.218
    7    NH1  ARG   2           NH2      ARG   2  12.053  10.231 -13.044
    8    NH2  ARG   2           NH1      ARG   2  13.367   8.385 -13.324
    9    H    ARG   2           H        ARG   2   9.580   3.969 -13.858
   10    HA   ARG   2           HA       ARG   2  10.273   5.728 -11.532
   11   1HB   ARG   2          2HB       ARG   2   8.441   6.044 -13.921
   12   2HB   ARG   2          1HB       ARG   2   7.885   6.741 -12.416
   13   1HG   ARG   2          2HG       ARG   2   9.073   8.505 -13.414
   14   2HG   ARG   2          1HG       ARG   2  10.193   7.874 -12.226
   15   1HD   ARG   2          2HD       ARG   2  11.382   6.603 -13.983
   16   2HD   ARG   2          1HD       ARG   2  10.202   7.104 -15.186
   17    HE   ARG   2           HE       ARG   2  11.361   9.127 -15.362
   18   1HH1  ARG   2          1HH2      ARG   2  11.233  10.744 -13.297
   19   2HH1  ARG   2          2HH2      ARG   2  12.675  10.592 -12.350
   20   1HH2  ARG   2          2HH1      ARG   2  13.518   7.514 -13.787
   21   2HH2  ARG   2          1HH1      ARG   2  14.020   8.712 -12.642
   22    H    ILE   3           H        ILE   3  10.067   3.292 -10.824
   23    HA   ILE   3           HA       ILE   3   7.329   2.473 -10.166
   24    HB   ILE   3           HB       ILE   3   9.121   0.883 -10.931
   25   1HG1  ILE   3          2HG1      ILE   3   8.756  -0.916  -9.267
   26   2HG1  ILE   3          1HG1      ILE   3   8.115   0.230  -8.116
   27   1HG2  ILE   3          1HG2      ILE   3  10.499   1.631  -8.322
   28   2HG2  ILE   3          3HG2      ILE   3  10.919   0.230  -9.289
   29   3HG2  ILE   3          2HG2      ILE   3  11.104   1.843  -9.948
   30   1HD1  ILE   3          1HD1      ILE   3   6.923  -0.065 -10.889
   31   2HD1  ILE   3          3HD1      ILE   3   6.408  -1.068  -9.543
   32   3HD1  ILE   3          2HD1      ILE   3   6.192   0.673  -9.471
   33    H    CYS   4           H        CYS   4   7.863   4.898  -9.082
   34    HA   CYS   4           HA       CYS   4   8.621   4.563  -6.259
   35   1HB   CYS   4          2HB       CYS   4   8.062   6.854  -8.121
   36   2HB   CYS   4          1HB       CYS   4   7.944   7.152  -6.401
   37    H    THR   5           H        THR   5   6.480   3.088  -7.026
   38    HA   THR   5           HA       THR   5   3.968   4.296  -6.151
   39    HB   THR   5           HB       THR   5   3.283   1.692  -6.273
   40    HG1  THR   5           HG1      THR   5   5.663   1.282  -6.213
   41   1HG2  THR   5          1HG2      THR   5   4.426   3.102  -8.748
   42   2HG2  THR   5          3HG2      THR   5   3.279   1.767  -8.766
   43   3HG2  THR   5          2HG2      THR   5   2.791   3.336  -8.146
   44    H    ASN   6           H        ASN   6   2.754   3.075  -4.407
   45    HA   ASN   6           HA       ASN   6   4.331   1.913  -2.225
   46   1HB   ASN   6          2HB       ASN   6   2.999   4.630  -1.907
   47   2HB   ASN   6          1HB       ASN   6   3.593   3.695  -0.554
   48   1HD2  ASN   6          2HD2      ASN   6   6.072   6.138  -2.379
   49   2HD2  ASN   6          1HD2      ASN   6   4.382   6.196  -2.550
   50    H    CYS   7           H        CYS   7   2.945   1.640  -0.266
   51    HA   CYS   7           HA       CYS   7   0.551   0.172  -0.961
   52   1HB   CYS   7          2HB       CYS   7   2.041  -0.575   0.807
   53   2HB   CYS   7          1HB       CYS   7   1.875   0.936   1.653
   54    H    CYS   8           H        CYS   8   1.265   3.319   0.051
   55    HA   CYS   8           HA       CYS   8  -1.289   4.115   1.141
   56   1HB   CYS   8          2HB       CYS   8   0.682   5.270   1.798
   57   2HB   CYS   8          1HB       CYS   8   1.161   5.551   0.160
   58    H    ALA   9           H        ALA   9   0.388   5.035  -1.760
   59    HA   ALA   9           HA       ALA   9  -2.073   5.999  -3.087
   60   1HB   ALA   9          2HB       ALA   9  -0.020   7.408  -3.091
   61   2HB   ALA   9          1HB       ALA   9   0.844   6.148  -3.958
   62   3HB   ALA   9          3HB       ALA   9  -0.497   6.986  -4.727
   63    H    GLY  10           H        GLY  10  -2.599   3.511  -3.008
   64   1HA   GLY  10          2HA       GLY  10  -1.752   2.276  -5.598
   65   2HA   GLY  10          1HA       GLY  10  -2.070   1.372  -4.155
   66    H    THR  11           H        THR  11  -4.064   0.697  -3.643
   67    HA   THR  11           HA       THR  11  -6.516   1.582  -4.825
   68    HB   THR  11           HB       THR  11  -5.960   0.705  -6.987
   69    HG1  THR  11           HG1      THR  11  -7.248  -1.070  -7.131
   70   1HG2  THR  11          2HG2      THR  11  -4.562  -1.554  -5.450
   71   2HG2  THR  11          1HG2      THR  11  -4.987  -1.716  -7.146
   72   3HG2  THR  11          3HG2      THR  11  -3.856  -0.477  -6.641
   73    H    LYS  12           H        LYS  12  -7.813   1.187  -3.174
   74    HA   LYS  12           HA       LYS  12  -7.395  -1.002  -1.339
   75   1HB   LYS  12          2HB       LYS  12  -8.535   1.208  -0.747
   76   2HB   LYS  12          1HB       LYS  12  -9.949   0.648  -1.612
   77   1HG   LYS  12          2HG       LYS  12  -9.432  -1.539   0.025
   78   2HG   LYS  12          1HG       LYS  12  -8.760  -0.254   0.998
   79   1HD   LYS  12          2HD       LYS  12 -10.952  -0.286   1.757
   80   2HD   LYS  12          1HD       LYS  12 -11.015   0.979   0.551
   81   1HE   LYS  12          2HE       LYS  12 -11.812  -0.776  -1.127
   82   2HE   LYS  12          1HE       LYS  12 -11.908  -1.917   0.210
   83   1HZ   LYS  12          3HZ       LYS  12 -13.238   0.696   0.301
   84   2HZ   LYS  12          2HZ       LYS  12 -13.989  -0.647  -0.419
   85   3HZ   LYS  12          1HZ       LYS  12 -13.572  -0.686   1.231
   86    H    GLY  13           H        GLY  13  -7.416  -2.815  -2.424
   87   1HA   GLY  13          2HA       GLY  13  -9.653  -4.416  -2.668
   88   2HA   GLY  13          1HA       GLY  13  -9.477  -3.679  -4.270
   89    H    CYS  14           H        CYS  14  -6.666  -3.455  -4.285
   90    HA   CYS  14           HA       CYS  14  -5.970  -6.306  -4.760
   91   1HB   CYS  14          2HB       CYS  14  -4.520  -3.804  -5.615
   92   2HB   CYS  14          1HB       CYS  14  -4.188  -5.431  -6.144
   93    H    LYS  15           H        LYS  15  -4.409  -7.367  -3.772
   94    HA   LYS  15           HA       LYS  15  -3.219  -6.207  -1.358
   95   1HB   LYS  15          2HB       LYS  15  -2.985  -9.004  -2.564
   96   2HB   LYS  15          1HB       LYS  15  -2.448  -8.541  -0.960
   97   1HG   LYS  15          2HG       LYS  15  -4.917  -7.740  -0.589
   98   2HG   LYS  15          1HG       LYS  15  -5.286  -8.663  -2.034
   99   1HD   LYS  15          2HD       LYS  15  -3.963 -10.601  -0.734
  100   2HD   LYS  15          1HD       LYS  15  -4.375  -9.641   0.673
  101   1HE   LYS  15          2HE       LYS  15  -6.321 -10.833  -1.354
  102   2HE   LYS  15          1HE       LYS  15  -6.154 -11.273   0.340
  103   1HZ   LYS  15          1HZ       LYS  15  -6.747  -8.931   0.855
  104   2HZ   LYS  15          3HZ       LYS  15  -7.191  -8.743  -0.776
  105   3HZ   LYS  15          2HZ       LYS  15  -8.001  -9.873   0.203
  106    OH   TYR  16           OH       TYR  16  -2.995   0.420  -2.008
  107    H    TYR  16           H        TYR  16  -1.604  -4.915  -1.757
  108    HA   TYR  16           HA       TYR  16   0.169  -4.739  -3.904
  109   1HB   TYR  16          2HB       TYR  16   0.877  -4.179  -0.992
  110   2HB   TYR  16          1HB       TYR  16   1.696  -3.516  -2.389
  111    HD1  TYR  16           HD2      TYR  16  -1.544  -3.558  -0.575
  112    HD2  TYR  16           HD1      TYR  16   0.811  -1.577  -3.506
  113    HE1  TYR  16           HE2      TYR  16  -3.105  -1.695  -0.581
  114    HE2  TYR  16           HE1      TYR  16  -0.739   0.256  -3.514
  115    HH   TYR  16           HH       TYR  16  -3.827   0.066  -2.330
  116    H    PHE  17           H        PHE  17   1.819  -5.985  -4.625
  117    HA   PHE  17           HA       PHE  17   3.278  -7.692  -2.735
  118   1HB   PHE  17          2HB       PHE  17   1.659  -9.201  -3.227
  119   2HB   PHE  17          1HB       PHE  17   1.322  -8.589  -4.834
  120    HD1  PHE  17           HD2      PHE  17   3.217  -9.023  -6.617
  121    HD2  PHE  17           HD1      PHE  17   2.825 -11.184  -2.964
  122    HE1  PHE  17           HE2      PHE  17   4.516 -10.862  -7.555
  123    HE2  PHE  17           HE1      PHE  17   4.118 -13.019  -3.897
  124    HZ   PHE  17           HZ       PHE  17   4.967 -12.861  -6.229
  125    H    SER  18           H        SER  18   5.149  -8.481  -3.424
  126    HA   SER  18           HA       SER  18   6.510  -6.988  -5.587
  127   1HB   SER  18          2HB       SER  18   7.463  -6.544  -3.420
  128   2HB   SER  18          1HB       SER  18   7.550  -8.269  -3.028
  129    HG   SER  18           HG       SER  18   9.184  -8.475  -4.259
  130    H    ASP  19           H        ASP  19   7.282  -7.913  -7.181
  131    HA   ASP  19           HA       ASP  19   6.729 -10.247  -8.390
  132   1HB   ASP  19          2HB       ASP  19   8.952  -9.872  -9.692
  133   2HB   ASP  19          1HB       ASP  19   7.764  -8.592  -9.706
  134    H    ASP  20           H        ASP  20   9.365 -10.085  -6.065
  135    HA   ASP  20           HA       ASP  20  10.749 -12.435  -6.897
  136   1HB   ASP  20          2HB       ASP  20  11.746 -12.454  -4.667
  137   2HB   ASP  20          1HB       ASP  20  11.590 -10.784  -5.187
  138    H    GLY  21           H        GLY  21   7.796 -12.085  -5.136
  139   1HA   GLY  21          2HA       GLY  21   6.257 -14.065  -5.270
  140   2HA   GLY  21          1HA       GLY  21   7.614 -15.050  -4.740
  141    H    THR  22           H        THR  22   6.782 -11.815  -3.592
  142    HA   THR  22           HA       THR  22   5.857 -12.946  -1.009
  143    HB   THR  22           HB       THR  22   8.224 -11.063  -1.384
  144    HG1  THR  22           HG1      THR  22   8.988 -12.987  -1.303
  145   1HG2  THR  22          1HG2      THR  22   6.587 -11.782   1.123
  146   2HG2  THR  22          3HG2      THR  22   8.294 -11.386   1.245
  147   3HG2  THR  22          2HG2      THR  22   7.161 -10.191   0.646
  148    H    PHE  23           H        PHE  23   4.356 -11.869  -0.043
  149    HA   PHE  23           HA       PHE  23   2.952  -9.730  -1.361
  150   1HB   PHE  23          2HB       PHE  23   1.673 -11.313  -0.199
  151   2HB   PHE  23          1HB       PHE  23   2.763 -11.362   1.149
  152    HD1  PHE  23           HD2      PHE  23   2.784  -9.383   2.792
  153    HD2  PHE  23           HD1      PHE  23  -0.229  -9.837  -0.194
  154    HE1  PHE  23           HE2      PHE  23   1.334  -7.833   4.017
  155    HE2  PHE  23           HE1      PHE  23  -1.670  -8.290   1.037
  156    HZ   PHE  23           HZ       PHE  23  -0.896  -7.281   3.144
  157    H    VAL  24           H        VAL  24   2.713  -7.599  -0.628
  158    HA   VAL  24           HA       VAL  24   4.936  -6.541   1.055
  159    HB   VAL  24           HB       VAL  24   3.409  -5.295  -1.284
  160   1HG1  VAL  24          3HG1      VAL  24   5.650  -4.159   0.426
  161   2HG1  VAL  24          2HG1      VAL  24   5.147  -3.485  -1.117
  162   3HG1  VAL  24          1HG1      VAL  24   4.027  -3.502   0.235
  163   1HG2  VAL  24          1HG2      VAL  24   5.187  -7.116  -1.759
  164   2HG2  VAL  24          3HG2      VAL  24   5.441  -5.569  -2.543
  165   3HG2  VAL  24          2HG2      VAL  24   6.366  -5.995  -1.113
  166    H    CYS  25           H        CYS  25   1.575  -5.899   0.146
  167    HA   CYS  25           HA       CYS  25   0.727  -5.446   2.878
  168   1HB   CYS  25          2HB       CYS  25   0.867  -3.264   3.101
  169   2HB   CYS  25          1HB       CYS  25   1.909  -3.243   1.712
  170    H    GLU  26           H        GLU  26  -1.593  -4.414   2.794
  171    HA   GLU  26           HA       GLU  26  -3.108  -5.814   0.653
  172   1HB   GLU  26          2HB       GLU  26  -3.653  -5.087   3.483
  173   2HB   GLU  26          1HB       GLU  26  -4.990  -5.407   2.418
  174   1HG   GLU  26          2HG       GLU  26  -3.500  -7.615   1.848
  175   2HG   GLU  26          1HG       GLU  26  -2.940  -7.314   3.489
  176    H    GLY  27           H        GLY  27  -4.668  -4.890  -0.525
  177   1HA   GLY  27          2HA       GLY  27  -4.713  -2.346  -1.486
  178   2HA   GLY  27          1HA       GLY  27  -6.153  -3.320  -1.329
  179    H    GLU  28           H        GLU  28  -4.681  -0.476  -0.327
  180    HA   GLU  28           HA       GLU  28  -6.776  -0.111   1.740
  181   1HB   GLU  28          2HB       GLU  28  -3.821   0.385   1.868
  182   2HB   GLU  28          1HB       GLU  28  -4.820   1.562   2.686
  183   1HG   GLU  28          2HG       GLU  28  -4.913  -1.453   3.174
  184   2HG   GLU  28          1HG       GLU  28  -4.148  -0.276   4.224
  185    H    SER  29           H        SER  29  -5.257   1.345  -0.963
  186    HA   SER  29           HA       SER  29  -6.001   4.044  -0.484
  187   1HB   SER  29          2HB       SER  29  -5.609   2.618  -3.116
  188   2HB   SER  29          1HB       SER  29  -5.447   4.348  -2.809
  189    HG   SER  29           HG       SER  29  -3.805   2.245  -1.972
  190    H    ASP  30           H        ASP  30  -8.179   3.998   0.278
  191    HA   ASP  30           HA       ASP  30 -10.319   3.188  -1.552
  192   1HB   ASP  30          2HB       ASP  30 -10.462   3.069   1.024
  193   2HB   ASP  30          1HB       ASP  30 -10.626   4.816   1.008
  194    HA   PRO  31           HA       PRO  31 -10.246   7.045  -3.792
  195   1HB   PRO  31          2HB       PRO  31 -13.138   7.012  -4.201
  196   2HB   PRO  31          1HB       PRO  31 -11.850   6.756  -5.369
  197   1HG   PRO  31          2HG       PRO  31 -13.560   4.759  -4.177
  198   2HG   PRO  31          1HG       PRO  31 -12.257   4.497  -5.328
  199   1HD   PRO  31          2HD       PRO  31 -12.275   3.806  -2.534
  200   2HD   PRO  31          1HD       PRO  31 -10.931   3.619  -3.670
  201    NH1  ARG  32           NH2      ARG  32 -16.528   9.344   5.069
  202    NH2  ARG  32           NH1      ARG  32 -14.555  10.376   5.573
  203    H    ARG  32           H        ARG  32 -12.516   6.546  -1.195
  204    HA   ARG  32           HA       ARG  32 -13.213   9.324  -0.837
  205   1HB   ARG  32          2HB       ARG  32 -14.557   7.233  -0.126
  206   2HB   ARG  32          1HB       ARG  32 -13.454   7.094   1.223
  207   1HG   ARG  32          2HG       ARG  32 -14.598   9.838   0.855
  208   2HG   ARG  32          1HG       ARG  32 -15.788   8.605   1.211
  209   1HD   ARG  32          2HD       ARG  32 -14.566   7.948   3.248
  210   2HD   ARG  32          1HD       ARG  32 -13.287   9.106   2.885
  211    HE   ARG  32           HE       ARG  32 -15.426  10.751   2.913
  212   1HH1  ARG  32          1HH2      ARG  32 -17.156   8.989   4.376
  213   2HH1  ARG  32          2HH2      ARG  32 -16.762   9.275   6.039
  214   1HH2  ARG  32          2HH1      ARG  32 -13.702  10.794   5.258
  215   2HH2  ARG  32          1HH1      ARG  32 -14.755  10.323   6.551
  216    H    ASN  33           H        ASN  33 -10.893   7.101   0.688
  217    HA   ASN  33           HA       ASN  33 -10.015   9.176   2.550
  218   1HB   ASN  33          2HB       ASN  33  -8.553   7.502   3.493
  219   2HB   ASN  33          1HB       ASN  33 -10.079   6.740   3.151
  220   1HD2  ASN  33          2HD2      ASN  33  -8.142   4.083   1.932
  221   2HD2  ASN  33          1HD2      ASN  33  -9.161   4.664   3.152
  222    HA   PRO  34           HA       PRO  34  -6.825  10.882   0.004
  223   1HB   PRO  34          2HB       PRO  34  -5.000  11.641   2.033
  224   2HB   PRO  34          1HB       PRO  34  -6.338  12.597   1.420
  225   1HG   PRO  34          2HG       PRO  34  -6.129  11.159   3.991
  226   2HG   PRO  34          1HG       PRO  34  -7.259  12.422   3.525
  227   1HD   PRO  34          2HD       PRO  34  -7.821   9.617   3.733
  228   2HD   PRO  34          1HD       PRO  34  -8.896  10.872   3.093
  229    H    LYS  35           H        LYS  35  -6.202   9.015  -1.011
  230    HA   LYS  35           HA       LYS  35  -4.218   7.186   0.144
  231   1HB   LYS  35          2HB       LYS  35  -4.379   6.130  -2.178
  232   2HB   LYS  35          1HB       LYS  35  -5.875   6.182  -1.273
  233   1HG   LYS  35          2HG       LYS  35  -6.823   7.865  -2.606
  234   2HG   LYS  35          1HG       LYS  35  -5.282   8.474  -3.165
  235   1HD   LYS  35          2HD       LYS  35  -6.423   5.752  -3.952
  236   2HD   LYS  35          1HD       LYS  35  -6.608   7.202  -4.902
  237   1HE   LYS  35          2HE       LYS  35  -4.585   6.901  -5.859
  238   2HE   LYS  35          1HE       LYS  35  -3.783   6.944  -4.305
  239   1HZ   LYS  35          1HZ       LYS  35  -5.052   4.550  -5.491
  240   2HZ   LYS  35          3HZ       LYS  35  -3.394   4.899  -5.532
  241   3HZ   LYS  35          2HZ       LYS  35  -4.157   4.584  -4.054
  242    H    ALA  36           H        ALA  36  -2.845   9.223   0.460
  243    HA   ALA  36           HA       ALA  36  -0.708   9.194  -1.534
  244   1HB   ALA  36          2HB       ALA  36  -2.222  11.783  -0.947
  245   2HB   ALA  36          1HB       ALA  36  -0.743  11.670  -1.892
  246   3HB   ALA  36          3HB       ALA  36  -2.220  10.927  -2.481
  247    H    CYS  37           H        CYS  37   1.093   9.156  -0.449
  248    HA   CYS  37           HA       CYS  37   1.529  10.794   1.981
  249   1HB   CYS  37          2HB       CYS  37   2.310   7.878   2.095
  250   2HB   CYS  37          1HB       CYS  37   2.017   8.985   3.402
  251    HA   PRO  38           HA       PRO  38   4.874  10.360  -1.254
  252   1HB   PRO  38          2HB       PRO  38   5.447  13.161  -1.237
  253   2HB   PRO  38          1HB       PRO  38   4.575  12.258  -2.467
  254   1HG   PRO  38          2HG       PRO  38   3.497  14.096  -0.449
  255   2HG   PRO  38          1HG       PRO  38   2.680  13.404  -1.842
  256   1HD   PRO  38          2HD       PRO  38   2.325  12.657   0.911
  257   2HD   PRO  38          1HD       PRO  38   1.616  11.866  -0.509
  258    NH1  ARG  39           NH2      ARG  39   5.279  11.173   5.120
  259    NH2  ARG  39           NH1      ARG  39   4.723   9.367   6.401
  260    H    ARG  39           H        ARG  39   6.587   9.498  -0.278
  261    HA   ARG  39           HA       ARG  39   8.387  11.156   1.303
  262   1HB   ARG  39          2HB       ARG  39   8.333   9.730   3.341
  263   2HB   ARG  39          1HB       ARG  39   6.794  10.505   3.048
  264   1HG   ARG  39          2HG       ARG  39   6.083   8.300   1.857
  265   2HG   ARG  39          1HG       ARG  39   7.538   7.597   2.522
  266   1HD   ARG  39          2HD       ARG  39   5.631   7.140   4.014
  267   2HD   ARG  39          1HD       ARG  39   6.792   8.188   4.823
  268    HE   ARG  39           HE       ARG  39   4.316   9.252   3.498
  269   1HH1  ARG  39          1HH2      ARG  39   5.490  11.553   4.218
  270   2HH1  ARG  39          2HH2      ARG  39   5.278  11.765   5.925
  271   1HH2  ARG  39          2HH1      ARG  39   4.517   8.391   6.461
  272   2HH2  ARG  39          1HH1      ARG  39   4.714   9.932   7.226
  273    H    ASN  40           H        ASN  40   7.604   7.942   0.125
  274    HA   ASN  40           HA       ASN  40  10.471   7.517  -0.531
  275   1HB   ASN  40          2HB       ASN  40   8.746   5.592   1.090
  276   2HB   ASN  40          1HB       ASN  40  10.302   5.153   0.401
  277   1HD2  ASN  40          2HD2      ASN  40  12.152   7.300   2.643
  278   2HD2  ASN  40          1HD2      ASN  40  12.155   6.760   1.033
  279    H    CYS  41           H        CYS  41  10.710   5.393  -1.701
  280    HA   CYS  41           HA       CYS  41   8.573   5.078  -3.777
  281   1HB   CYS  41          2HB       CYS  41  11.602   5.134  -3.965
  282   2HB   CYS  41          1HB       CYS  41  10.605   4.547  -5.269
  283    H    ASP  42           H        ASP  42   8.116   2.925  -4.426
  284    HA   ASP  42           HA       ASP  42   9.439   0.801  -2.796
  285   1HB   ASP  42          2HB       ASP  42   6.908   1.473  -2.357
  286   2HB   ASP  42          1HB       ASP  42   6.585   0.615  -3.846
  287    HA   PRO  43           HA       PRO  43  10.179  -0.156  -7.256
  288   1HB   PRO  43          2HB       PRO  43  12.845  -1.055  -6.642
  289   2HB   PRO  43          1HB       PRO  43  12.389   0.398  -7.514
  290   1HG   PRO  43          2HG       PRO  43  13.400   0.182  -4.795
  291   2HG   PRO  43          1HG       PRO  43  13.085   1.640  -5.723
  292   1HD   PRO  43          2HD       PRO  43  11.527   0.605  -3.527
  293   2HD   PRO  43          1HD       PRO  43  11.170   2.027  -4.522
  294    NH1  ARG  44           NH2      ARG  44   8.373  -3.280  -0.568
  295    NH2  ARG  44           NH1      ARG  44   9.071  -1.351   0.438
  296    H    ARG  44           H        ARG  44  10.549  -1.833  -4.317
  297    HA   ARG  44           HA       ARG  44  11.033  -4.474  -5.280
  298   1HB   ARG  44          2HB       ARG  44   9.401  -3.785  -2.816
  299   2HB   ARG  44          1HB       ARG  44  10.353  -5.225  -3.088
  300   1HG   ARG  44          2HG       ARG  44  12.054  -4.187  -1.993
  301   2HG   ARG  44          1HG       ARG  44  12.255  -3.181  -3.408
  302   1HD   ARG  44          2HD       ARG  44  11.989  -1.631  -1.610
  303   2HD   ARG  44          1HD       ARG  44  10.397  -1.658  -2.353
  304    HE   ARG  44           HE       ARG  44  11.109  -3.254   0.085
  305   1HH1  ARG  44          1HH2      ARG  44   8.598  -4.114  -1.070
  306   2HH1  ARG  44          2HH2      ARG  44   7.422  -3.077  -0.335
  307   1HH2  ARG  44          2HH1      ARG  44   9.820  -0.740   0.692
  308   2HH2  ARG  44          1HH1      ARG  44   8.130  -1.120   0.684
  309    H    ILE  45           H        ILE  45   8.011  -2.708  -4.646
  310    HA   ILE  45           HA       ILE  45   6.263  -4.880  -5.151
  311    HB   ILE  45           HB       ILE  45   5.733  -2.513  -4.189
  312   1HG1  ILE  45          2HG1      ILE  45   3.802  -3.792  -6.177
  313   2HG1  ILE  45          1HG1      ILE  45   4.086  -4.354  -4.541
  314   1HG2  ILE  45          3HG2      ILE  45   6.497  -1.492  -6.600
  315   2HG2  ILE  45          2HG2      ILE  45   4.795  -1.727  -6.934
  316   3HG2  ILE  45          1HG2      ILE  45   5.294  -0.720  -5.587
  317   1HD1  ILE  45          1HD1      ILE  45   3.315  -2.163  -3.649
  318   2HD1  ILE  45          3HD1      ILE  45   2.960  -1.633  -5.288
  319   3HD1  ILE  45          2HD1      ILE  45   2.081  -2.983  -4.596
  320    H    ALA  46           H        ALA  46   5.114  -5.499  -6.918
  321    HA   ALA  46           HA       ALA  46   6.216  -4.765  -9.597
  322   1HB   ALA  46          1HB       ALA  46   6.690  -7.096  -8.729
  323   2HB   ALA  46          3HB       ALA  46   4.970  -7.416  -8.762
  324   3HB   ALA  46          2HB       ALA  46   5.831  -7.069 -10.259
  325    OH   TYR  47           OH       TYR  47   3.011 -11.272  -9.524
  326    H    TYR  47           H        TYR  47   3.458  -5.720  -7.680
  327    HA   TYR  47           HA       TYR  47   1.615  -3.957  -8.989
  328   1HB   TYR  47          2HB       TYR  47   0.177  -5.858 -10.069
  329   2HB   TYR  47          1HB       TYR  47   1.650  -5.455 -10.909
  330    HD1  TYR  47           HD1      TYR  47   0.238  -7.876  -8.424
  331    HD2  TYR  47           HD2      TYR  47   3.318  -7.111 -11.269
  332    HE1  TYR  47           HE1      TYR  47   1.002 -10.191  -8.232
  333    HE2  TYR  47           HE2      TYR  47   4.074  -9.428 -11.069
  334    HH   TYR  47           HH       TYR  47   3.968 -11.268  -9.454
  335    H    GLY  48           H        GLY  48  -0.729  -5.279  -8.586
  336   1HA   GLY  48          2HA       GLY  48  -0.717  -6.001  -5.677
  337   2HA   GLY  48          1HA       GLY  48  -1.929  -4.922  -6.382
  338    H    ILE  49           H        ILE  49  -1.484  -7.987  -5.403
  339    HA   ILE  49           HA       ILE  49  -2.801  -9.440  -7.578
  340    HB   ILE  49           HB       ILE  49  -2.228 -10.233  -4.667
  341   1HG1  ILE  49          2HG1      ILE  49  -0.735 -11.203  -7.148
  342   2HG1  ILE  49          1HG1      ILE  49  -0.206  -9.776  -6.282
  343   1HG2  ILE  49          3HG2      ILE  49  -3.091 -11.935  -7.061
  344   2HG2  ILE  49          2HG2      ILE  49  -2.652 -12.579  -5.489
  345   3HG2  ILE  49          1HG2      ILE  49  -4.078 -11.581  -5.654
  346   1HD1  ILE  49          1HD1      ILE  49  -0.541 -12.506  -4.988
  347   2HD1  ILE  49          3HD1      ILE  49   0.978 -11.822  -5.529
  348   3HD1  ILE  49          2HD1      ILE  49   0.087 -11.055  -4.222
  349    H    CYS  50           H        CYS  50  -4.780  -8.684  -7.955
  350    HA   CYS  50           HA       CYS  50  -6.613  -7.948  -5.774
  351   1HB   CYS  50          2HB       CYS  50  -7.401  -7.918  -8.659
  352   2HB   CYS  50          1HB       CYS  50  -7.857  -6.836  -7.372
  353    HA   PRO  51           HA       PRO  51  -8.381 -12.087  -5.959
  354   1HB   PRO  51          2HB       PRO  51 -10.624 -11.380  -4.326
  355   2HB   PRO  51          1HB       PRO  51  -9.149 -12.193  -3.822
  356   1HG   PRO  51          2HG       PRO  51  -9.956  -9.437  -3.295
  357   2HG   PRO  51          1HG       PRO  51  -8.569 -10.302  -2.651
  358   1HD   PRO  51          2HD       PRO  51  -8.570  -8.254  -4.693
  359   2HD   PRO  51          1HD       PRO  51  -7.172  -9.151  -4.066
  360    H    LEU  52           H        LEU  52 -10.069 -13.067  -7.027
  361    HA   LEU  52           HA       LEU  52 -11.500 -11.383  -8.965
  362   1HB   LEU  52          2HB       LEU  52 -11.020 -14.355  -8.596
  363   2HB   LEU  52          1HB       LEU  52 -12.270 -13.837  -9.697
  364    HG   LEU  52           HG       LEU  52 -10.089 -14.253 -10.836
  365   1HD1  LEU  52          3HD1      LEU  52 -11.807 -12.556 -11.687
  366   2HD1  LEU  52          2HD1      LEU  52 -10.783 -11.297 -11.017
  367   3HD1  LEU  52          1HD1      LEU  52 -10.171 -12.346 -12.283
  368   1HD2  LEU  52          2HD2      LEU  52  -8.657 -13.388  -8.892
  369   2HD2  LEU  52          1HD2      LEU  52  -8.152 -12.886 -10.494
  370   3HD2  LEU  52          3HD2      LEU  52  -9.016 -11.763  -9.460
  371    H    ALA  53           H        ALA  53 -12.177 -11.667  -5.996
  372    HA   ALA  53           HA       ALA  53 -14.036 -11.667  -4.624
  373   1HB   ALA  53          2HB       ALA  53 -14.616  -9.796  -6.158
  374   2HB   ALA  53          1HB       ALA  53 -15.419 -10.908  -7.253
  375   3HB   ALA  53          3HB       ALA  53 -16.068 -10.637  -5.644
   
  Start of MODEL          20
  Start of MODEL   20
    1   1H    ASP   1          3H        ASP   1   6.661   7.038 -15.440
    2   2H    ASP   1          2H        ASP   1   7.158   7.662 -16.940
    3   3H    ASP   1          1H        ASP   1   6.993   5.985 -16.732
    4    HA   ASP   1           HA       ASP   1   9.124   5.892 -16.261
    5   1HB   ASP   1          2HB       ASP   1   8.964   8.931 -15.984
    6   2HB   ASP   1          1HB       ASP   1  10.468   8.031 -15.889
    7    NH1  ARG   2           NH2      ARG   2  15.050   8.398  -9.075
    8    NH2  ARG   2           NH1      ARG   2  15.538   6.631 -10.436
    9    H    ARG   2           H        ARG   2  10.388   5.567 -14.498
   10    HA   ARG   2           HA       ARG   2  10.973   5.234 -12.299
   11   1HB   ARG   2          2HB       ARG   2  10.572   7.885 -12.381
   12   2HB   ARG   2          1HB       ARG   2   9.201   7.508 -11.361
   13   1HG   ARG   2          2HG       ARG   2  10.847   7.820  -9.746
   14   2HG   ARG   2          1HG       ARG   2  10.971   6.087  -9.971
   15   1HD   ARG   2          2HD       ARG   2  12.823   6.514 -11.669
   16   2HD   ARG   2          1HD       ARG   2  12.734   8.224 -11.250
   17    HE   ARG   2           HE       ARG   2  13.071   6.533  -8.911
   18   1HH1  ARG   2          1HH2      ARG   2  14.371   8.914  -8.552
   19   2HH1  ARG   2          2HH2      ARG   2  16.004   8.695  -9.088
   20   1HH2  ARG   2          2HH1      ARG   2  15.225   5.822 -10.934
   21   2HH2  ARG   2          1HH1      ARG   2  16.500   6.898 -10.470
   22    H    ILE   3           H        ILE   3  10.298   3.615 -11.144
   23    HA   ILE   3           HA       ILE   3   7.448   2.990 -10.868
   24    HB   ILE   3           HB       ILE   3   9.068   1.262 -11.586
   25   1HG1  ILE   3          2HG1      ILE   3   8.497  -0.565 -10.076
   26   2HG1  ILE   3          1HG1      ILE   3   8.079   0.539  -8.787
   27   1HG2  ILE   3          2HG2      ILE   3  10.530   1.931  -9.016
   28   2HG2  ILE   3          1HG2      ILE   3  10.739   0.387  -9.823
   29   3HG2  ILE   3          3HG2      ILE   3  11.143   1.875 -10.651
   30   1HD1  ILE   3          3HD1      ILE   3   6.710   0.637 -11.496
   31   2HD1  ILE   3          2HD1      ILE   3   6.125  -0.381 -10.186
   32   3HD1  ILE   3          1HD1      ILE   3   6.168   1.366  -9.992
   33    H    CYS   4           H        CYS   4   7.566   5.136  -9.580
   34    HA   CYS   4           HA       CYS   4   8.369   4.837  -6.773
   35   1HB   CYS   4          2HB       CYS   4   7.462   7.044  -8.572
   36   2HB   CYS   4          1HB       CYS   4   7.145   7.262  -6.870
   37    H    THR   5           H        THR   5   6.696   2.935  -7.208
   38    HA   THR   5           HA       THR   5   3.913   3.563  -6.625
   39    HB   THR   5           HB       THR   5   4.346   0.779  -6.001
   40    HG1  THR   5           HG1      THR   5   6.403   0.742  -6.787
   41   1HG2  THR   5          1HG2      THR   5   3.805   2.057  -8.740
   42   2HG2  THR   5          3HG2      THR   5   3.479   0.383  -8.316
   43   3HG2  THR   5          2HG2      THR   5   2.559   1.674  -7.561
   44    H    ASN   6           H        ASN   6   2.871   2.592  -4.644
   45    HA   ASN   6           HA       ASN   6   4.542   2.215  -2.288
   46   1HB   ASN   6          2HB       ASN   6   3.526   4.257  -1.077
   47   2HB   ASN   6          1HB       ASN   6   4.697   4.615  -2.320
   48   1HD2  ASN   6          2HD2      ASN   6   2.472   6.629  -4.072
   49   2HD2  ASN   6          1HD2      ASN   6   4.074   6.186  -3.705
   50    H    CYS   7           H        CYS   7   3.461   1.468  -0.552
   51    HA   CYS   7           HA       CYS   7   1.156  -0.098  -0.997
   52   1HB   CYS   7          2HB       CYS   7   2.662  -0.894   0.578
   53   2HB   CYS   7          1HB       CYS   7   2.874   0.657   1.327
   54    H    CYS   8           H        CYS   8   1.313   3.130  -0.422
   55    HA   CYS   8           HA       CYS   8  -1.053   3.484   1.221
   56   1HB   CYS   8          2HB       CYS   8   0.638   5.093   1.349
   57   2HB   CYS   8          1HB       CYS   8   0.786   5.231  -0.363
   58    H    ALA   9           H        ALA   9  -0.303   4.477  -2.038
   59    HA   ALA   9           HA       ALA   9  -2.921   5.105  -2.876
   60   1HB   ALA   9          2HB       ALA   9  -0.437   4.459  -4.485
   61   2HB   ALA   9          1HB       ALA   9  -1.892   5.190  -5.148
   62   3HB   ALA   9          3HB       ALA   9  -0.964   6.040  -3.926
   63    H    GLY  10           H        GLY  10  -1.150   2.586  -4.601
   64   1HA   GLY  10          2HA       GLY  10  -2.009   0.824  -5.896
   65   2HA   GLY  10          1HA       GLY  10  -2.543   0.274  -4.324
   66    H    THR  11           H        THR  11  -4.618   0.167  -3.895
   67    HA   THR  11           HA       THR  11  -6.790   1.604  -5.006
   68    HB   THR  11           HB       THR  11  -7.634  -0.790  -6.230
   69    HG1  THR  11           HG1      THR  11  -5.344  -1.393  -5.809
   70   1HG2  THR  11          3HG2      THR  11  -6.948   1.822  -7.225
   71   2HG2  THR  11          2HG2      THR  11  -6.079   0.678  -8.231
   72   3HG2  THR  11          1HG2      THR  11  -7.820   0.561  -8.070
   73    H    LYS  12           H        LYS  12  -8.126   1.471  -3.337
   74    HA   LYS  12           HA       LYS  12  -7.940  -0.198  -1.154
   75   1HB   LYS  12          2HB       LYS  12  -9.448   1.816  -1.446
   76   2HB   LYS  12          1HB       LYS  12 -10.584   0.786  -2.280
   77   1HG   LYS  12          2HG       LYS  12 -11.387   0.756  -0.055
   78   2HG   LYS  12          1HG       LYS  12 -10.481  -0.731  -0.153
   79   1HD   LYS  12          2HD       LYS  12  -9.856   0.338   1.924
   80   2HD   LYS  12          1HD       LYS  12  -8.478   0.466   0.853
   81   1HE   LYS  12          2HE       LYS  12  -9.060   2.599   2.134
   82   2HE   LYS  12          1HE       LYS  12  -8.956   2.816   0.398
   83   1HZ   LYS  12          2HZ       LYS  12 -11.543   2.150   1.606
   84   2HZ   LYS  12          1HZ       LYS  12 -10.954   3.739   1.715
   85   3HZ   LYS  12          3HZ       LYS  12 -11.199   3.028   0.193
   86    H    GLY  13           H        GLY  13  -7.953  -2.314  -1.004
   87   1HA   GLY  13          2HA       GLY  13  -9.306  -4.372  -0.979
   88   2HA   GLY  13          1HA       GLY  13  -9.959  -3.926  -2.540
   89    H    CYS  14           H        CYS  14  -7.054  -3.193  -3.408
   90    HA   CYS  14           HA       CYS  14  -6.442  -5.850  -4.448
   91   1HB   CYS  14          2HB       CYS  14  -5.106  -3.137  -4.706
   92   2HB   CYS  14          1HB       CYS  14  -4.480  -4.564  -5.480
   93    H    LYS  15           H        LYS  15  -3.811  -6.234  -4.429
   94    HA   LYS  15           HA       LYS  15  -2.864  -5.884  -1.622
   95   1HB   LYS  15          2HB       LYS  15  -2.846  -8.547  -3.113
   96   2HB   LYS  15          1HB       LYS  15  -2.199  -8.262  -1.518
   97   1HG   LYS  15          2HG       LYS  15  -4.718  -7.362  -1.075
   98   2HG   LYS  15          1HG       LYS  15  -5.079  -8.438  -2.405
   99   1HD   LYS  15          2HD       LYS  15  -3.610  -9.229   0.155
  100   2HD   LYS  15          1HD       LYS  15  -5.304  -9.526  -0.161
  101   1HE   LYS  15          2HE       LYS  15  -4.627 -10.871  -2.208
  102   2HE   LYS  15          1HE       LYS  15  -2.952 -10.698  -1.697
  103   1HZ   LYS  15          2HZ       LYS  15  -4.051 -11.548   0.552
  104   2HZ   LYS  15          1HZ       LYS  15  -5.078 -12.303  -0.569
  105   3HZ   LYS  15          3HZ       LYS  15  -3.403 -12.586  -0.626
  106    OH   TYR  16           OH       TYR  16  -1.930   0.949  -2.102
  107    H    TYR  16           H        TYR  16  -1.136  -4.600  -1.980
  108    HA   TYR  16           HA       TYR  16   0.556  -4.621  -4.264
  109   1HB   TYR  16          2HB       TYR  16   1.468  -4.012  -1.432
  110   2HB   TYR  16          1HB       TYR  16   2.234  -3.456  -2.910
  111    HD1  TYR  16           HD1      TYR  16  -0.545  -3.043  -0.617
  112    HD2  TYR  16           HD2      TYR  16   1.214  -1.586  -4.199
  113    HE1  TYR  16           HE1      TYR  16  -1.906  -1.033  -0.470
  114    HE2  TYR  16           HE2      TYR  16  -0.169   0.426  -4.054
  115    HH   TYR  16           HH       TYR  16  -2.787   0.759  -2.488
  116    H    PHE  17           H        PHE  17   2.124  -6.016  -4.849
  117    HA   PHE  17           HA       PHE  17   3.339  -7.787  -2.825
  118   1HB   PHE  17          2HB       PHE  17   1.612  -9.155  -3.380
  119   2HB   PHE  17          1HB       PHE  17   1.439  -8.561  -5.023
  120    HD1  PHE  17           HD1      PHE  17   3.319  -9.213  -6.669
  121    HD2  PHE  17           HD2      PHE  17   2.660 -11.204  -2.967
  122    HE1  PHE  17           HE1      PHE  17   4.520 -11.158  -7.496
  123    HE2  PHE  17           HE2      PHE  17   3.862 -13.148  -3.780
  124    HZ   PHE  17           HZ       PHE  17   4.814 -13.132  -6.089
  125    H    SER  18           H        SER  18   5.170  -8.778  -3.448
  126    HA   SER  18           HA       SER  18   6.709  -7.398  -5.578
  127   1HB   SER  18          2HB       SER  18   7.490  -7.175  -3.219
  128   2HB   SER  18          1HB       SER  18   7.791  -8.909  -3.168
  129    HG   SER  18           HG       SER  18   8.914  -8.139  -5.404
  130    H    ASP  19           H        ASP  19   7.213  -8.492  -7.225
  131    HA   ASP  19           HA       ASP  19   6.435 -10.852  -8.240
  132   1HB   ASP  19          2HB       ASP  19   8.289 -10.680  -9.854
  133   2HB   ASP  19          1HB       ASP  19   7.561  -9.121  -9.547
  134    H    ASP  20           H        ASP  20   9.163 -10.657  -6.065
  135    HA   ASP  20           HA       ASP  20  10.473 -13.086  -6.724
  136   1HB   ASP  20          2HB       ASP  20  11.416 -12.966  -4.441
  137   2HB   ASP  20          1HB       ASP  20  11.379 -11.369  -5.176
  138    H    GLY  21           H        GLY  21   7.553 -12.524  -4.949
  139   1HA   GLY  21          2HA       GLY  21   5.944 -14.465  -4.986
  140   2HA   GLY  21          1HA       GLY  21   7.262 -15.444  -4.361
  141    H    THR  22           H        THR  22   6.552 -12.116  -3.386
  142    HA   THR  22           HA       THR  22   5.508 -13.109  -0.781
  143    HB   THR  22           HB       THR  22   7.879 -11.231  -1.142
  144    HG1  THR  22           HG1      THR  22   8.626 -13.160  -1.173
  145   1HG2  THR  22          1HG2      THR  22   6.312 -12.150   1.354
  146   2HG2  THR  22          3HG2      THR  22   7.962 -11.557   1.455
  147   3HG2  THR  22          2HG2      THR  22   6.679 -10.489   0.917
  148    H    PHE  23           H        PHE  23   3.972 -11.972   0.076
  149    HA   PHE  23           HA       PHE  23   2.730  -9.787  -1.350
  150   1HB   PHE  23          2HB       PHE  23   1.313 -11.323  -0.287
  151   2HB   PHE  23          1HB       PHE  23   2.300 -11.411   1.136
  152    HD1  PHE  23           HD1      PHE  23   2.175  -9.625   2.875
  153    HD2  PHE  23           HD2      PHE  23  -0.389  -9.550  -0.530
  154    HE1  PHE  23           HE1      PHE  23   0.729  -7.995   3.998
  155    HE2  PHE  23           HE2      PHE  23  -1.829  -7.918   0.605
  156    HZ   PHE  23           HZ       PHE  23  -1.277  -7.140   2.864
  157    H    VAL  24           H        VAL  24   2.843  -7.668  -0.891
  158    HA   VAL  24           HA       VAL  24   4.933  -6.741   0.993
  159    HB   VAL  24           HB       VAL  24   3.515  -5.340  -1.331
  160   1HG1  VAL  24          1HG1      VAL  24   5.883  -4.470   0.351
  161   2HG1  VAL  24          3HG1      VAL  24   5.397  -3.714  -1.157
  162   3HG1  VAL  24          2HG1      VAL  24   4.317  -3.664   0.228
  163   1HG2  VAL  24          2HG2      VAL  24   5.187  -7.340  -1.784
  164   2HG2  VAL  24          1HG2      VAL  24   5.413  -5.838  -2.661
  165   3HG2  VAL  24          3HG2      VAL  24   6.422  -6.210  -1.277
  166    H    CYS  25           H        CYS  25   1.637  -5.878   0.012
  167    HA   CYS  25           HA       CYS  25   0.680  -5.508   2.698
  168   1HB   CYS  25          2HB       CYS  25   1.214  -3.459   3.185
  169   2HB   CYS  25          1HB       CYS  25   2.154  -3.349   1.729
  170    H    GLU  26           H        GLU  26  -1.398  -3.896   2.486
  171    HA   GLU  26           HA       GLU  26  -2.975  -4.889   0.147
  172   1HB   GLU  26          2HB       GLU  26  -3.560  -4.685   3.049
  173   2HB   GLU  26          1HB       GLU  26  -4.870  -4.199   2.017
  174   1HG   GLU  26          2HG       GLU  26  -3.685  -6.692   0.980
  175   2HG   GLU  26          1HG       GLU  26  -4.111  -6.866   2.665
  176    H    GLY  27           H        GLY  27  -4.249  -3.637  -0.957
  177   1HA   GLY  27          2HA       GLY  27  -3.741  -0.896  -1.401
  178   2HA   GLY  27          1HA       GLY  27  -5.179  -1.751  -1.937
  179    H    GLU  28           H        GLU  28  -3.970   0.556   0.094
  180    HA   GLU  28           HA       GLU  28  -6.383   0.563   1.853
  181   1HB   GLU  28          2HB       GLU  28  -3.516   1.009   2.334
  182   2HB   GLU  28          1HB       GLU  28  -4.463   2.325   2.980
  183   1HG   GLU  28          2HG       GLU  28  -4.384   0.732   4.750
  184   2HG   GLU  28          1HG       GLU  28  -5.980   0.504   4.061
  185    H    SER  29           H        SER  29  -5.827   1.947  -0.895
  186    HA   SER  29           HA       SER  29  -7.296   4.406  -0.129
  187   1HB   SER  29          2HB       SER  29  -4.911   5.083  -0.186
  188   2HB   SER  29          1HB       SER  29  -4.765   4.492  -1.841
  189    HG   SER  29           HG       SER  29  -6.914   6.196  -1.326
  190    H    ASP  30           H        ASP  30  -9.013   4.371  -1.218
  191    HA   ASP  30           HA       ASP  30  -9.336   2.955  -3.739
  192   1HB   ASP  30          2HB       ASP  30 -11.130   3.246  -1.840
  193   2HB   ASP  30          1HB       ASP  30 -11.352   4.863  -2.475
  194    HA   PRO  31           HA       PRO  31  -8.275   6.394  -6.435
  195   1HB   PRO  31          2HB       PRO  31 -10.644   5.758  -8.081
  196   2HB   PRO  31          1HB       PRO  31  -8.941   5.741  -8.518
  197   1HG   PRO  31          2HG       PRO  31 -10.576   3.469  -7.949
  198   2HG   PRO  31          1HG       PRO  31  -8.834   3.463  -8.185
  199   1HD   PRO  31          2HD       PRO  31 -10.270   3.004  -5.727
  200   2HD   PRO  31          1HD       PRO  31  -8.516   3.037  -5.946
  201    NH1  ARG  32           NH1      ARG  32 -14.064   5.007  -8.348
  202    NH2  ARG  32           NH2      ARG  32 -15.710   6.133  -9.469
  203    H    ARG  32           H        ARG  32 -11.561   5.943  -5.301
  204    HA   ARG  32           HA       ARG  32 -12.412   8.647  -5.828
  205   1HB   ARG  32          2HB       ARG  32 -13.687   6.237  -5.188
  206   2HB   ARG  32          1HB       ARG  32 -13.893   7.167  -3.723
  207   1HG   ARG  32          2HG       ARG  32 -15.779   7.739  -5.063
  208   2HG   ARG  32          1HG       ARG  32 -14.700   9.105  -5.243
  209   1HD   ARG  32          2HD       ARG  32 -15.405   8.579  -7.480
  210   2HD   ARG  32          1HD       ARG  32 -13.794   7.880  -7.374
  211    HE   ARG  32           HE       ARG  32 -15.990   6.062  -6.642
  212   1HH1  ARG  32          2HH1      ARG  32 -13.582   4.831  -7.490
  213   2HH1  ARG  32          1HH1      ARG  32 -13.796   4.525  -9.183
  214   1HH2  ARG  32          1HH2      ARG  32 -16.456   6.800  -9.448
  215   2HH2  ARG  32          2HH2      ARG  32 -15.476   5.674 -10.326
  216    H    ASN  33           H        ASN  33 -11.163   7.026  -2.891
  217    HA   ASN  33           HA       ASN  33 -11.546   9.505  -1.374
  218   1HB   ASN  33          2HB       ASN  33 -10.669   8.246   0.554
  219   2HB   ASN  33          1HB       ASN  33 -11.967   7.391  -0.242
  220   1HD2  ASN  33          2HD2      ASN  33 -10.031   4.499  -0.200
  221   2HD2  ASN  33          1HD2      ASN  33 -11.507   5.260   0.143
  222    HA   PRO  34           HA       PRO  34  -7.342  10.860  -2.089
  223   1HB   PRO  34          2HB       PRO  34  -7.276  12.979  -0.312
  224   2HB   PRO  34          1HB       PRO  34  -8.148  13.017  -1.838
  225   1HG   PRO  34          2HG       PRO  34  -9.240  12.646   0.936
  226   2HG   PRO  34          1HG       PRO  34  -9.990  13.421  -0.455
  227   1HD   PRO  34          2HD       PRO  34 -10.521  10.748   0.434
  228   2HD   PRO  34          1HD       PRO  34 -10.983  11.461  -1.123
  229    H    LYS  35           H        LYS  35  -7.365   8.550  -0.628
  230    HA   LYS  35           HA       LYS  35  -5.699   9.093   1.771
  231   1HB   LYS  35          2HB       LYS  35  -6.871   6.444   0.770
  232   2HB   LYS  35          1HB       LYS  35  -6.120   6.693   2.327
  233   1HG   LYS  35          2HG       LYS  35  -8.582   8.273   1.470
  234   2HG   LYS  35          1HG       LYS  35  -8.718   6.701   2.219
  235   1HD   LYS  35          2HD       LYS  35  -6.949   8.709   3.608
  236   2HD   LYS  35          1HD       LYS  35  -8.670   9.017   3.648
  237   1HE   LYS  35          2HE       LYS  35  -8.207   7.690   5.596
  238   2HE   LYS  35          1HE       LYS  35  -8.949   6.572   4.461
  239   1HZ   LYS  35          2HZ       LYS  35  -6.023   6.924   4.618
  240   2HZ   LYS  35          1HZ       LYS  35  -6.852   5.839   5.627
  241   3HZ   LYS  35          3HZ       LYS  35  -6.890   5.630   3.941
  242    H    ALA  36           H        ALA  36  -4.898   9.450  -0.894
  243    HA   ALA  36           HA       ALA  36  -2.801   7.419  -1.410
  244   1HB   ALA  36          1HB       ALA  36  -4.168   8.267  -3.299
  245   2HB   ALA  36          3HB       ALA  36  -3.572   9.895  -3.003
  246   3HB   ALA  36          2HB       ALA  36  -2.466   8.636  -3.531
  247    H    CYS  37           H        CYS  37  -0.630   8.017  -1.761
  248    HA   CYS  37           HA       CYS  37   0.339  10.528  -0.473
  249   1HB   CYS  37          2HB       CYS  37   1.803   7.954   0.058
  250   2HB   CYS  37          1HB       CYS  37   1.764   9.410   0.994
  251    HA   PRO  38           HA       PRO  38   2.741   9.906  -4.359
  252   1HB   PRO  38          2HB       PRO  38   2.378  12.643  -5.070
  253   2HB   PRO  38          1HB       PRO  38   1.570  11.260  -5.786
  254   1HG   PRO  38          2HG       PRO  38   0.455  13.273  -3.969
  255   2HG   PRO  38          1HG       PRO  38  -0.395  12.055  -4.907
  256   1HD   PRO  38          2HD       PRO  38   0.148  12.021  -2.068
  257   2HD   PRO  38          1HD       PRO  38  -0.687  10.779  -3.019
  258    NH1  ARG  39           NH2      ARG  39   5.665  16.937   0.975
  259    NH2  ARG  39           NH1      ARG  39   5.924  16.997  -1.292
  260    H    ARG  39           H        ARG  39   4.169   9.619  -2.536
  261    HA   ARG  39           HA       ARG  39   6.174  11.715  -2.358
  262   1HB   ARG  39          2HB       ARG  39   4.189  11.920  -0.449
  263   2HB   ARG  39          1HB       ARG  39   5.255  10.801   0.361
  264   1HG   ARG  39          2HG       ARG  39   6.094  12.861   1.084
  265   2HG   ARG  39          1HG       ARG  39   7.162  12.517  -0.261
  266   1HD   ARG  39          2HD       ARG  39   5.832  13.982  -1.740
  267   2HD   ARG  39          1HD       ARG  39   4.634  14.223  -0.469
  268    HE   ARG  39           HE       ARG  39   7.381  14.986   0.253
  269   1HH1  ARG  39          1HH2      ARG  39   5.753  16.433   1.834
  270   2HH1  ARG  39          2HH2      ARG  39   5.301  17.868   0.976
  271   1HH2  ARG  39          2HH1      ARG  39   6.206  16.537  -2.132
  272   2HH2  ARG  39          1HH1      ARG  39   5.567  17.931  -1.326
  273    H    ASN  40           H        ASN  40   4.955   8.597  -1.529
  274    HA   ASN  40           HA       ASN  40   7.618   7.547  -0.770
  275   1HB   ASN  40          2HB       ASN  40   4.868   6.251  -0.774
  276   2HB   ASN  40          1HB       ASN  40   6.330   5.508  -0.134
  277   1HD2  ASN  40          2HD2      ASN  40   4.542   8.591   1.910
  278   2HD2  ASN  40          1HD2      ASN  40   4.185   8.351   0.267
  279    H    CYS  41           H        CYS  41   8.833   6.362  -2.013
  280    HA   CYS  41           HA       CYS  41   7.838   5.432  -4.673
  281   1HB   CYS  41          2HB       CYS  41  10.545   6.434  -3.731
  282   2HB   CYS  41          1HB       CYS  41  10.353   5.581  -5.243
  283    H    ASP  42           H        ASP  42   7.928   3.294  -5.058
  284    HA   ASP  42           HA       ASP  42   9.658   1.552  -3.380
  285   1HB   ASP  42          2HB       ASP  42   7.193   1.771  -2.539
  286   2HB   ASP  42          1HB       ASP  42   6.749   0.843  -3.953
  287    HA   PRO  43           HA       PRO  43  10.164   0.200  -7.725
  288   1HB   PRO  43          2HB       PRO  43  12.927  -0.321  -6.908
  289   2HB   PRO  43          1HB       PRO  43  12.351   0.738  -8.181
  290   1HG   PRO  43          2HG       PRO  43  13.430   1.547  -5.679
  291   2HG   PRO  43          1HG       PRO  43  12.636   2.586  -6.853
  292   1HD   PRO  43          2HD       PRO  43  11.608   1.629  -4.270
  293   2HD   PRO  43          1HD       PRO  43  10.937   2.883  -5.329
  294    NH1  ARG  44           NH2      ARG  44  10.700  -0.444  -0.937
  295    NH2  ARG  44           NH1      ARG  44  10.481  -2.364   0.276
  296    H    ARG  44           H        ARG  44  10.902  -1.028  -4.568
  297    HA   ARG  44           HA       ARG  44  11.473  -3.738  -5.287
  298   1HB   ARG  44          2HB       ARG  44  10.306  -2.586  -2.719
  299   2HB   ARG  44          1HB       ARG  44  10.868  -4.234  -2.895
  300   1HG   ARG  44          2HG       ARG  44  13.129  -3.299  -3.615
  301   2HG   ARG  44          1HG       ARG  44  12.543  -1.702  -3.191
  302   1HD   ARG  44          2HD       ARG  44  12.299  -3.892  -1.111
  303   2HD   ARG  44          1HD       ARG  44  13.879  -3.186  -1.410
  304    HE   ARG  44           HE       ARG  44  13.156  -1.252  -0.318
  305   1HH1  ARG  44          1HH2      ARG  44  11.275   0.160  -1.490
  306   2HH1  ARG  44          2HH2      ARG  44   9.746  -0.208  -0.763
  307   1HH2  ARG  44          2HH1      ARG  44  10.892  -3.199   0.640
  308   2HH2  ARG  44          1HH1      ARG  44   9.520  -2.155   0.462
  309    H    ILE  45           H        ILE  45   8.503  -2.004  -5.261
  310    HA   ILE  45           HA       ILE  45   6.809  -4.380  -4.990
  311    HB   ILE  45           HB       ILE  45   6.438  -1.413  -5.255
  312   1HG1  ILE  45          2HG1      ILE  45   4.626  -3.481  -3.968
  313   2HG1  ILE  45          1HG1      ILE  45   6.138  -3.017  -3.224
  314   1HG2  ILE  45          1HG2      ILE  45   4.344  -3.300  -6.438
  315   2HG2  ILE  45          3HG2      ILE  45   4.011  -1.641  -5.972
  316   3HG2  ILE  45          2HG2      ILE  45   5.149  -1.971  -7.261
  317   1HD1  ILE  45          1HD1      ILE  45   4.981  -0.526  -3.788
  318   2HD1  ILE  45          3HD1      ILE  45   3.599  -1.508  -3.344
  319   3HD1  ILE  45          2HD1      ILE  45   4.941  -1.330  -2.229
  320    H    ALA  46           H        ALA  46   5.794  -5.427  -6.627
  321    HA   ALA  46           HA       ALA  46   6.955  -5.041  -9.353
  322   1HB   ALA  46          1HB       ALA  46   5.624  -7.445  -8.024
  323   2HB   ALA  46          3HB       ALA  46   6.130  -7.403  -9.706
  324   3HB   ALA  46          2HB       ALA  46   7.323  -7.243  -8.436
  325    OH   TYR  47           OH       TYR  47   4.281 -11.130  -9.926
  326    H    TYR  47           H        TYR  47   3.951  -5.802  -7.680
  327    HA   TYR  47           HA       TYR  47   2.375  -3.976  -9.260
  328   1HB   TYR  47          2HB       TYR  47   0.905  -6.025 -10.221
  329   2HB   TYR  47          1HB       TYR  47   2.301  -5.455 -11.096
  330    HD1  TYR  47           HD1      TYR  47   1.246  -8.040  -8.602
  331    HD2  TYR  47           HD2      TYR  47   4.083  -6.931 -11.580
  332    HE1  TYR  47           HE1      TYR  47   2.239 -10.277  -8.504
  333    HE2  TYR  47           HE2      TYR  47   5.070  -9.165 -11.473
  334    HH   TYR  47           HH       TYR  47   3.624 -11.730  -9.564
  335    H    GLY  48           H        GLY  48  -0.099  -4.849  -9.007
  336   1HA   GLY  48          2HA       GLY  48  -0.441  -5.429  -6.086
  337   2HA   GLY  48          1HA       GLY  48  -1.474  -4.330  -6.995
  338    H    ILE  49           H        ILE  49  -1.084  -7.477  -5.911
  339    HA   ILE  49           HA       ILE  49  -2.646  -8.827  -7.980
  340    HB   ILE  49           HB       ILE  49  -1.738  -9.638  -5.168
  341   1HG1  ILE  49          2HG1      ILE  49   0.150  -9.399  -6.722
  342   2HG1  ILE  49          1HG1      ILE  49  -0.099 -11.086  -6.353
  343   1HG2  ILE  49          2HG2      ILE  49  -3.367 -11.164  -7.210
  344   2HG2  ILE  49          1HG2      ILE  49  -2.287 -12.034  -6.133
  345   3HG2  ILE  49          3HG2      ILE  49  -3.584 -11.058  -5.472
  346   1HD1  ILE  49          1HD1      ILE  49  -1.579 -11.053  -8.586
  347   2HD1  ILE  49          3HD1      ILE  49  -0.625  -9.621  -8.937
  348   3HD1  ILE  49          2HD1      ILE  49   0.165 -11.166  -8.682
  349    H    CYS  50           H        CYS  50  -4.605  -7.992  -8.175
  350    HA   CYS  50           HA       CYS  50  -6.248  -7.344  -5.808
  351   1HB   CYS  50          2HB       CYS  50  -6.969  -6.995  -8.717
  352   2HB   CYS  50          1HB       CYS  50  -7.739  -6.249  -7.344
  353    HA   PRO  51           HA       PRO  51  -8.405 -11.273  -6.383
  354   1HB   PRO  51          2HB       PRO  51 -10.558 -10.639  -4.644
  355   2HB   PRO  51          1HB       PRO  51  -9.075 -11.470  -4.213
  356   1HG   PRO  51          2HG       PRO  51  -9.867  -8.708  -3.578
  357   2HG   PRO  51          1HG       PRO  51  -8.558  -9.662  -2.894
  358   1HD   PRO  51          2HD       PRO  51  -8.324  -7.529  -4.819
  359   2HD   PRO  51          1HD       PRO  51  -7.022  -8.566  -4.206
  360    H    LEU  52           H        LEU  52  -8.859 -10.769  -8.540
  361    HA   LEU  52           HA       LEU  52 -11.679 -10.362  -9.129
  362   1HB   LEU  52          2HB       LEU  52 -10.311  -8.015  -8.978
  363   2HB   LEU  52          1HB       LEU  52  -9.862  -8.451 -10.606
  364    HG   LEU  52           HG       LEU  52 -12.672  -8.930 -10.528
  365   1HD1  LEU  52          3HD1      LEU  52 -12.021  -6.315  -9.111
  366   2HD1  LEU  52          2HD1      LEU  52 -13.615  -6.830  -9.642
  367   3HD1  LEU  52          1HD1      LEU  52 -12.787  -7.711  -8.369
  368   1HD2  LEU  52          3HD2      LEU  52 -11.381  -7.957 -12.422
  369   2HD2  LEU  52          2HD2      LEU  52 -12.789  -6.981 -12.039
  370   3HD2  LEU  52          1HD2      LEU  52 -11.194  -6.459 -11.522
  371    H    ALA  53           H        ALA  53 -11.872 -10.199 -11.657
  372    HA   ALA  53           HA       ALA  53  -9.852 -11.759 -13.114
  373   1HB   ALA  53          3HB       ALA  53 -12.671 -12.811 -12.604
  374   2HB   ALA  53          2HB       ALA  53 -11.558 -13.505 -13.775
  375   3HB   ALA  53          1HB       ALA  53 -11.171 -13.547 -12.063
   
  No H/Q in entry =         375
   
  No H/Q in entry =         375