*HEADER    TOXIN                                   05-JUL-99   1QUZ              
*TITLE     SOLUTION STRUCTURE OF THE POTASSIUM CHANNEL SCORPION TOXIN            
*TITLE    2 HSTX1                                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HSTX1 SCORPION TOXIN;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SOLID PHASE CHEMICAL SYNTHESIS USING THE              
*SOURCE   4 FMOC METHODOLOGY                                                     
*KEYWDS    SCORPION TOXIN, ALPHA BETA, NMR, MOLECULAR MODELING,                  
*KEYWDS   2 POTASSIUM CHANNEL                                                    
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    P.SAVARIN, R.ROMI-LEBRUN, S.ZINN-JUSTIN, B.LEBRUN,                    
*AUTHOR   2 T.NAKAJIMA, B.GILQUIN, A.MENEZ                                       
*REVDAT   1   07-JUL-00 1QUZ    0                                                




! peak number d 271  F1=  4.153  F2=  1.490   null   null  d=  2.7
assi (( resid  1 and name HA))
     (( resid  1 and name HB*))
             2.7 0.67 0.67
! peak number d 106  F1=  1.427  F2=  3.841   null   null  d=  2.8
assi (( resid  10 and name HA))
     (( resid  10 and name HB*))
             2.8 0.69 0.69
! peak number d 336  F1=  3.839  F2=  3.363   null   null  d=  4.0
assi (( resid  10 and name HA))
     (( resid  13 and name HB2))
             4.0 1.00 1.00
! peak number d 164  F1=  3.840  F2=  2.869   null   null  d=  4.0
assi (( resid  10 and name HA))
     (( resid  13 and name HB3))
             4.0 1.00 1.00
! peak number d 221  F1=  3.840  F2=  2.097   null   null  d=  3.9
assi (( resid  10 and name HA))
     (( resid  20 and name HB3))
             3.9 0.97 0.97
! peak number h 179  F1=  7.232  F2=  3.844   null   null  d=  3.2
assi (( resid  10 and name HN))
     (( resid  10 and name HA))
             3.2 0.48 0.48
! peak number h 342  F1=  7.234  F2=  1.430   null   null  d=  2.8
assi (( resid  10 and name HN))
     (( resid  10 and name HB*))
             2.8 0.70 0.70
! peak number h 187  F1=  7.233  F2=  3.648   null   null  d=  3.9
assi (( resid  10 and name HN))
     (( resid  12 and name HD*))
             3.9 0.97 0.97
! peak number h 236  F1=  7.244  F2=  2.862   null   null  d=  3.8
assi (( resid  10 and name HN))
     (( resid  13 and name HB3))
             3.8 0.95 0.95
! peak number d 57  F1=  2.745  F2=  4.633   null   null  d=  4.0
assi (( resid  11 and name HA))
     (( resid  11 and name HB2))
             4.0 1.00 1.00
! peak number d 232  F1=  4.637  F2=  2.007   null   null  d=  3.1
assi (( resid  11 and name HA))
     (( resid  14 and name HB2))
             3.1 0.78 0.78
! peak number h 181  F1=  8.743  F2=  3.827   null   null  d=  3.8
assi (( resid  11 and name HN))
     (( resid  10 and name HA))
             3.8 0.57 0.57
! peak number h 25  F1=  1.437  F2=  8.724   null   null  d=  3.0
assi (( resid  11 and name HN))
     (( resid  10 and name HB*))
             3.0 0.74 0.74
! peak number h 21  F1=  7.233  F2=  8.736   null   null  d=  3.3
assi (( resid  11 and name HN))
     (( resid  10 and name HN))
             3.3 0.50 0.50
! peak number h 139  F1=  8.738  F2=  4.640   null   null  d=  3.3
assi (( resid  11 and name HN))
     (( resid  11 and name HA))
             3.3 0.49 0.49
! peak number h 23  F1=  2.742  F2=  8.734   null   null  d=  3.0
assi (( resid  11 and name HN))
     (( resid  11 and name HB2))
             3.0 0.74 0.74
! peak number h 185  F1=  8.736  F2=  3.645   null   null  d=  2.8
assi (( resid  11 and name HN))
     (( resid  12 and name HD*))
             2.8 0.69 0.69
! peak number d 205  F1=  4.269  F2=  2.255   null   null  d=  2.4
assi (( resid  12 and name HA))
     (( resid  12 and name HB2))
             2.4 0.61 0.61
! peak number d 255  F1=  4.267  F2=  1.744   null   null  d=  2.8
assi (( resid  12 and name HA))
     (( resid  12 and name HB3))
             2.8 0.71 0.71
! peak number d 110  F1=  4.269  F2=  3.654   null   null  d=  3.7
assi (( resid  12 and name HA))
     (( resid  12 and name HD*))
             3.7 0.93 0.93
! peak number d 220  F1=  4.269  F2=  2.103   null   null  d=  3.2
assi (( resid  12 and name HA))
     (( resid  12 and name HG3))
             3.2 0.80 0.80
! peak number d 240  F1=  4.268  F2=  1.905   null   null  d=  3.2
assi (( resid  12 and name HA))
     (( resid  15 and name HB3))
             3.2 0.80 0.80
! peak number d 209  F1=  1.740  F2=  2.256   null   null  d=  2.1
assi (( resid  12 and name HB2))
     (( resid  12 and name HB3))
             2.1 0.52 0.52
! peak number d 111  F1=  2.740  F2=  3.652   null   null  d=  2.7
assi (( resid  12 and name HD*))
     (( resid  11 and name HB2))
             2.7 0.67 0.67
! peak number d 112  F1=  2.650  F2=  3.649   null   null  d=  2.8
assi (( resid  12 and name HD*))
     (( resid  11 and name HB3))
             2.8 0.70 0.70
! peak number d 256  F1=  3.645  F2=  1.743   null   null  d=  3.2
assi (( resid  12 and name HD*))
     (( resid  12 and name HB3))
             3.2 0.80 0.80
! peak number d 113  F1=  2.252  F2=  3.651   null   null  d=  2.7
assi (( resid  12 and name HD*))
     (( resid  12 and name HG2))
             2.7 0.68 0.68
! peak number d 114  F1=  2.101  F2=  3.654   null   null  d=  2.7
assi (( resid  12 and name HD*))
     (( resid  12 and name HG3))
             2.7 0.68 0.68
! peak number h 281  F1=  1.486  F2=  2.238   null   null  d=  2.9
assi (( resid  12 and name HG2))
     (( resid  1 and name HB*))
             2.9 0.72 0.72
! peak number h 379  F1=  2.248  F2=  2.095   null   null  d=  1.8
assi (( resid  12 and name HG2))
     (( resid  12 and name HG3))
             1.8 0.45 0.45
! peak number h 356  F1=  1.724  F2=  2.094   null   null  d=  2.4
assi (( resid  12 and name HG3))
     (( resid  12 and name HB3))
             2.4 0.60 0.60
! peak number d 122  F1=  4.876  F2=  3.381   null   null  d=  2.7
assi (( resid  13 and name HA))
     (( resid  13 and name HB2))
             2.7 0.66 0.66
! peak number d 161  F1=  4.875  F2=  2.869   null   null  d=  3.0
assi (( resid  13 and name HA))
     (( resid  13 and name HB3))
             3.0 0.75 0.75
! peak number d 203  F1=  4.875  F2=  2.254   null   null  d=  2.6
assi (( resid  13 and name HA))
     (( resid  16 and name HG*))
             2.6 0.66 0.66
! peak number d 296  F1=  4.878  F2=  1.137   null   null  d=  4.4
assi (( resid  13 and name HA))
     (( resid  17 and name HG2*))
             4.4 1.10 1.10
! peak number d 125  F1=  2.859  F2=  3.384   null   null  d=  2.0
assi (( resid  13 and name HB2))
     (( resid  13 and name HB3))
             2.0 0.49 0.49
! peak number h 161  F1=  8.050  F2=  4.268   null   null  d=  4.3
assi (( resid  13 and name HN))
     (( resid  12 and name HA))
             4.3 0.64 0.64
! peak number h 316  F1=  8.054  F2=  1.733   null   null  d=  3.3
assi (( resid  13 and name HN))
     (( resid  12 and name HB3))
             3.3 0.82 0.82
! peak number h 186  F1=  8.056  F2=  3.644   null   null  d=  3.3
assi (( resid  13 and name HN))
     (( resid  12 and name HD*))
             3.3 0.82 0.82
! peak number h 273  F1=  8.052  F2=  2.249   null   null  d=  3.3
assi (( resid  13 and name HN))
     (( resid  12 and name HG2))
             3.3 0.84 0.84
! peak number h 200  F1=  8.050  F2=  3.375   null   null  d=  3.7
assi (( resid  13 and name HN))
     (( resid  13 and name HB2))
             3.7 0.93 0.93
! peak number h 241  F1=  8.052  F2=  2.853   null   null  d=  2.8
assi (( resid  13 and name HN))
     (( resid  13 and name HB3))
             2.8 0.69 0.69
! peak number d 130  F1=  2.011  F2=  3.357   null   null  d=  3.5
assi (( resid  14 and name HA))
     (( resid  14 and name HB2))
             3.5 0.88 0.88
! peak number d 126  F1=  1.825  F2=  3.361   null   null  d=  2.9
assi (( resid  14 and name HA))
     (( resid  14 and name HB3))
             2.9 0.73 0.73
! peak number d 127  F1=  1.470  F2=  3.362   null   null  d=  3.1
assi (( resid  14 and name HA))
     (( resid  14 and name HG*))
             3.1 0.79 0.79
! peak number h 357  F1=  1.831  F2=  2.015   null   null  d=  1.8
assi (( resid  14 and name HB2))
     (( resid  14 and name HB3))
             1.8 0.45 0.45
! peak number d 234  F1=  1.481  F2=  1.998   null   null  d=  2.4
assi (( resid  14 and name HB2))
     (( resid  14 and name HG*))
             2.4 0.60 0.60
! peak number d 251  F1=  1.476  F2=  1.828   null   null  d=  1.8
assi (( resid  14 and name HB3))
     (( resid  14 and name HG*))
             1.8 0.45 0.45
! peak number d 145  F1=  2.002  F2=  3.195   null   null  d=  4.0
assi (( resid  14 and name HD*))
     (( resid  14 and name HB2))
             4.0 1.01 1.01
! peak number d 146  F1=  1.825  F2=  3.191   null   null  d=  4.2
assi (( resid  14 and name HD*))
     (( resid  14 and name HB3))
             4.2 1.05 1.05
! peak number d 147  F1=  1.473  F2=  3.196   null   null  d=  2.7
assi (( resid  14 and name HD*))
     (( resid  14 and name HG*))
             2.7 0.66 0.66
! peak number h 219  F1=  7.310  F2=  3.191   null   null  d=  3.2
assi (( resid  14 and name HE))
     (( resid  14 and name HD*))
             3.2 0.80 0.80
! peak number h 434  F1=  7.307  F2=  1.459   null   null  d=  3.7
assi (( resid  14 and name HE))
     (( resid  14 and name HG*))
             3.7 0.93 0.93
! peak number h 435  F1=  7.311  F2=  1.848   null   null  d=  4.5
assi (( resid  14 and name HE))
     (( resid  20 and name HG2))
             4.5 1.12 1.12
! peak number h 568  F1=  8.363  F2=  3.827   null   null  d=  4.5
assi (( resid  14 and name HN))
     (( resid  10 and name HA))
             4.5 0.67 0.67
! peak number h 569  F1=  8.362  F2=  4.275   null   null  d=  4.6
assi (( resid  14 and name HN))
     (( resid  12 and name HA))
             4.6 0.69 0.69
! peak number h 240  F1=  8.368  F2=  2.850   null   null  d=  3.5
assi (( resid  14 and name HN))
     (( resid  13 and name HB3))
             3.5 0.88 0.88
! peak number h 426  F1=  8.367  F2=  8.056   null   null  d=  3.0
assi (( resid  14 and name HN))
     (( resid  13 and name HN))
             3.0 0.45 0.45
! peak number h 199  F1=  8.370  F2=  3.357   null   null  d=  3.2
assi (( resid  14 and name HN))
     (( resid  14 and name HA) or ( resid 13 and name HB2))
             3.2 0.80 0.80
! peak number h 295  F1=  8.367  F2=  1.990   null   null  d=  3.2
assi (( resid  14 and name HN))
     (( resid  14 and name HB2))
             3.2 0.80 0.80
! peak number h 311  F1=  8.367  F2=  1.820   null   null  d=  3.0
assi (( resid  14 and name HN))
     (( resid  14 and name HB3))
             3.0 0.74 0.74
! peak number h 337  F1=  8.368  F2=  1.466   null   null  d=  4.5
assi (( resid  14 and name HN))
     (( resid  14 and name HG*))
             4.5 1.11 1.11
! peak number h 37  F1=  7.538  F2=  8.370   null   null  d=  3.1
assi (( resid  14 and name HN))
     (( resid  15 and name HN))
             3.1 0.47 0.47
! peak number d 280  F1=  4.028  F2=  1.456   null   null  d=  2.9
assi (( resid  15 and name HA))
     (( resid  14 and name HG*))
             2.9 0.71 0.71
! peak number d 241  F1=  4.025  F2=  1.909   null   null  d=  2.9
assi (( resid  15 and name HA))
     (( resid  15 and name HB3))
             2.9 0.75 0.75
! peak number h 517  F1=  1.436  F2=  4.033   null   null  d=  3.0
assi (( resid  15 and name HA))
     (( resid  15 and name HG3))
             3.0 0.75 0.75
! peak number h 514  F1=  1.423  F2=  1.659   null   null  d=  1.8
assi (( resid  15 and name HD*))
     (( resid  15 and name HG3))
             1.8 0.45 0.45
! peak number h 232  F1=  1.671  F2=  2.956   null   null  d=  2.7
assi (( resid  15 and name HE*))
     (( resid  15 and name HD*))
             2.7 0.68 0.68
! peak number h 451  F1=  7.537  F2=  4.271   null   null  d=  4.1
assi (( resid  15 and name HN))
     (( resid  12 and name HA))
             4.1 0.61 0.61
! peak number h 203  F1=  7.553  F2=  3.361   null   null  d=  3.7
assi (( resid  15 and name HN))
     (( resid  14 and name HA))
             3.7 0.56 0.56
! peak number h 293  F1=  7.537  F2=  2.000   null   null  d=  3.1
assi (( resid  15 and name HN))
     (( resid  14 and name HB2))
             3.1 0.78 0.78
! peak number h 341  F1=  7.536  F2=  1.452   null   null  d=  4.0
assi (( resid  15 and name HN))
     (( resid  14 and name HG*))
             4.0 1.00 1.00
! peak number h 170  F1=  7.539  F2=  4.024   null   null  d=  3.3
assi (( resid  15 and name HN))
     (( resid  15 and name HA))
             3.3 0.49 0.49
! peak number h 372  F1=  1.885  F2=  7.536   null   null  d=  2.9
assi (( resid  15 and name HN))
     (( resid  15 and name HB3))
             2.9 0.72 0.72
! peak number d 194  F1=  4.221  F2=  2.489   null   null  d=  3.2
assi (( resid  16 and name HA))
     (( resid  16 and name HB*))
             3.2 0.81 0.81
! peak number d 212  F1=  4.219  F2=  2.250   null   null  d=  2.6
assi (( resid  16 and name HA))
     (( resid  16 and name HG*))
             2.6 0.66 0.66
! peak number d 192  F1=  2.254  F2=  2.497   null   null  d=  1.9
assi (( resid  16 and name HB*))
     (( resid  16 and name HG*))
             1.9 0.47 0.47
! peak number d 211  F1=  1.137  F2=  2.250   null   null  d=  3.0
assi (( resid  16 and name HG*))
     (( resid  17 and name HG2*))
             3.0 0.74 0.74
! peak number h 561  F1=  8.113  F2=  3.360   null   null  d=  4.9
assi (( resid  16 and name HN))
     (( resid  14 and name HA))
             4.9 0.73 0.73
! peak number h 168  F1=  8.115  F2=  4.027   null   null  d=  3.8
assi (( resid  16 and name HN))
     (( resid  15 and name HA))
             3.8 0.57 0.57
! peak number h 299  F1=  8.114  F2=  1.909   null   null  d=  3.2
assi (( resid  16 and name HN))
     (( resid  15 and name HB3))
             3.2 0.81 0.81
! peak number h 82  F1=  8.115  F2=  7.535   null   null  d=  2.9
assi (( resid  16 and name HN))
     (( resid  15 and name HN))
             2.9 0.43 0.43
! peak number h 162  F1=  8.115  F2=  4.221   null   null  d=  3.2
assi (( resid  16 and name HN))
     (( resid  16 and name HA))
             3.2 0.48 0.48
! peak number h 433  F1=  8.113  F2=  2.471   null   null  d=  4.1
assi (( resid  16 and name HN))
     (( resid  16 and name HB*))
             4.1 1.02 1.02
! peak number h 279  F1=  8.112  F2=  2.234   null   null  d=  2.8
assi (( resid  16 and name HN))
     (( resid  16 and name HG*))
             2.8 0.69 0.69
! peak number d 323  F1=  2.249  F2=  4.735   null   null  d=  3.2
assi (( resid  17 and name HA))
     (( resid  16 and name HG*))
             3.2 0.80 0.80
! peak number d 311  F1=  4.733  F2=  1.137   null   null  d=  3.0
assi (( resid  17 and name HA))
     (( resid  17 and name HG2*))
             3.0 0.74 0.74
! peak number d 298  F1=  4.507  F2=  1.133   null   null  d=  2.5
assi (( resid  17 and name HB))
     (( resid  17 and name HG2*))
             2.5 0.63 0.63
! peak number h 367  F1=  8.840  F2=  3.347   null   null  d=  4.6
assi (( resid  17 and name HN))
     (( resid  14 and name HA))
             4.6 0.69 0.69
! peak number h 14  F1=  2.239  F2=  8.828   null   null  d=  2.9
assi (( resid  17 and name HN))
     (( resid  16 and name HG*))
             2.9 0.72 0.72
! peak number h 13  F1=  8.114  F2=  8.834   null   null  d=  3.2
assi (( resid  17 and name HN))
     (( resid  16 and name HN))
             3.2 0.48 0.48
! peak number h 15  F1=  1.129  F2=  8.828   null   null  d=  3.3
assi (( resid  17 and name HN))
     (( resid  17 and name HG2*))
             3.3 0.82 0.82
! peak number h 20  F1=  7.753  F2=  8.836   null   null  d=  2.5
assi (( resid  17 and name HN))
     (( resid  18 and name HN))
             2.5 0.38 0.38
! peak number d 72  F1=  4.028  F2=  4.453   null   null  d=  1.9
assi (( resid  18 and name HA1))
     (( resid  18 and name HA2))
             1.9 0.28 0.28
! peak number d 87  F1=  3.361  F2=  4.041   null   null  d=  3.2
assi (( resid  18 and name HA2))
     (( resid  14 and name HA))
             3.2 0.48 0.48
! peak number h 202  F1=  7.751  F2=  3.352   null   null  d=  3.3
assi (( resid  18 and name HN))
     (( resid  14 and name HA))
             3.3 0.49 0.49
! peak number h 169  F1=  7.753  F2=  4.044   null   null  d=  2.6
assi (( resid  18 and name HN))
     (( resid  18 and name HA2))
             2.6 0.39 0.39
! peak number d 349  F1=  3.357  F2=  5.199   null   null  d=  4.4
assi (( resid  19 and name HA))
     (( resid  14 and name HA))
             4.4 0.66 0.66
! peak number d 140  F1=  5.197  F2=  3.219   null   null  d=  2.8
assi (( resid  19 and name HA))
     (( resid  19 and name HB2))
             2.8 0.70 0.70
! peak number d 148  F1=  5.194  F2=  3.008   null   null  d=  2.9
assi (( resid  19 and name HA))
     (( resid  19 and name HB3))
             2.9 0.71 0.71
! peak number d 307  F1=  5.196  F2=  1.490   null   null  d=  4.1
assi (( resid  19 and name HA))
     (( resid  20 and name HB2))
             4.1 1.02 1.02
! peak number d 118  F1=  5.190  F2=  3.551   null   null  d=  2.2
assi (( resid  19 and name HA))
     (( resid  20 and name HD*))
             2.2 0.54 0.54
! peak number d 306  F1=  5.193  F2=  1.239   null   null  d=  5.0
assi (( resid  19 and name HA))
     (( resid  20 and name HG3))
             5.0 1.25 1.25
! peak number h 201  F1=  7.998  F2=  3.358   null   null  d=  3.2
assi (( resid  19 and name HN))
     (( resid  14 and name HA))
             3.2 0.48 0.48
! peak number h 100  F1=  7.996  F2=  5.193   null   null  d=  3.6
assi (( resid  19 and name HN))
     (( resid  19 and name HA))
             3.6 0.54 0.54
! peak number h 218  F1=  8.002  F2=  3.215   null   null  d=  3.1
assi (( resid  19 and name HN))
     (( resid  19 and name HB2))
             3.1 0.78 0.78
! peak number h 222  F1=  8.001  F2=  3.038   null   null  d=  3.2
assi (( resid  19 and name HN))
     (( resid  19 and name HB3))
             3.2 0.81 0.81
! peak number h 572  F1=  8.003  F2=  3.557   null   null  d=  5.0
assi (( resid  19 and name HN))
     (( resid  20 and name HD*))
             5.0 1.25 1.25
! peak number d 18  F1=  3.910  F2=  5.090   null   null  d=  2.8
assi (( resid  2 and name HA))
     (( resid  2 and name HB2))
             2.8 0.70 0.70
! peak number h 369  F1=  8.794  F2=  4.164   null   null  d=  2.6
assi (( resid  2 and name HN))
     (( resid  1 and name HA))
             2.6 0.39 0.39
! peak number h 332  F1=  8.796  F2=  1.483   null   null  d=  3.4
assi (( resid  2 and name HN))
     (( resid  1 and name HB*))
             3.4 0.85 0.85
! peak number h 104  F1=  8.796  F2=  5.085   null   null  d=  3.4
assi (( resid  2 and name HN))
     (( resid  2 and name HA))
             3.4 0.51 0.51
! peak number h 370  F1=  8.796  F2=  3.931   null   null  d=  3.1
assi (( resid  2 and name HN))
     (( resid  2 and name HB2))
             3.1 0.78 0.78
! peak number d 101  F1=  4.739  F2=  3.844   null   null  d=  3.2
assi (( resid  20 and name HA))
     (( resid  10 and name HA))
             3.2 0.49 0.49
! peak number d 312  F1=  4.737  F2=  1.441   null   null  d=  3.1
assi (( resid  20 and name HA))
     (( resid  10 and name HB*))
             3.1 0.78 0.78
! peak number d 48  F1=  3.380  F2=  4.735   null   null  d=  4.3
assi (( resid  20 and name HA))
     (( resid  13 and name HB2))
             4.3 1.07 1.07
! peak number d 163  F1=  4.738  F2=  2.868   null   null  d=  3.3
assi (( resid  20 and name HA))
     (( resid  13 and name HB3))
             3.3 0.82 0.82
! peak number d 272  F1=  4.737  F2=  1.525   null   null  d=  2.8
assi (( resid  20 and name HA))
     (( resid  20 and name HB2))
             2.8 0.70 0.70
! peak number d 315  F1=  4.737  F2=  3.540   null   null  d=  4.5
assi (( resid  20 and name HA))
     (( resid  20 and name HD*))
             4.5 1.12 1.12
! peak number d 297  F1=  4.738  F2=  1.245   null   null  d=  3.5
assi (( resid  20 and name HA))
     (( resid  20 and name HG3))
             3.5 0.88 0.88
! peak number d 294  F1=  1.529  F2=  1.237   null   null  d=  2.1
assi (( resid  20 and name HB2))
     (( resid  20 and name HG3))
             2.1 0.53 0.53
! peak number d 225  F1=  1.435  F2=  2.092   null   null  d=  3.0
assi (( resid  20 and name HB3))
     (( resid  10 and name HB*))
             3.0 0.75 0.75
! peak number d 224  F1=  1.509  F2=  2.090   null   null  d=  2.0
assi (( resid  20 and name HB3))
     (( resid  20 and name HB2))
             2.0 0.49 0.49
! peak number d 226  F1=  1.233  F2=  2.089   null   null  d=  2.9
assi (( resid  20 and name HB3))
     (( resid  20 and name HG3))
             2.9 0.72 0.72
! peak number d 152  F1=  3.536  F2=  3.017   null   null  d=  2.5
assi (( resid  20 and name HD*))
     (( resid  19 and name HB3))
             2.5 0.62 0.62
! peak number d 120  F1=  1.501  F2=  3.544   null   null  d=  3.0
assi (( resid  20 and name HD*))
     (( resid  20 and name HB2))
             3.0 0.74 0.74
! peak number d 223  F1=  3.547  F2=  2.093   null   null  d=  3.8
assi (( resid  20 and name HD*))
     (( resid  20 and name HB3))
             3.8 0.95 0.95
! peak number d 119  F1=  1.862  F2=  3.544   null   null  d=  2.6
assi (( resid  20 and name HD*))
     (( resid  20 and name HG2))
             2.6 0.64 0.64
! peak number d 121  F1=  1.232  F2=  3.543   null   null  d=  2.6
assi (( resid  20 and name HD*))
     (( resid  20 and name HG3))
             2.6 0.66 0.66
! peak number d 244  F1=  1.234  F2=  1.863   null   null  d=  2.0
assi (( resid  20 and name HG2))
     (( resid  20 and name HG3))
             2.0 0.51 0.51
! peak number d 46  F1=  2.986  F2=  4.753   null   null  d=  3.0
assi (( resid  21 and name HA))
     (( resid  21 and name HB2))
             3.0 0.75 0.75
! peak number d 155  F1=  2.682  F2=  3.018   null   null  d=  1.8
assi (( resid  21 and name HB2))
     (( resid  21 and name HB3))
             1.8 0.46 0.46
! peak number d 14  F1=  7.060  F2=  5.200   null   null  d=  4.5
assi (( resid  21 and name HD*))
     (( resid  19 and name HA))
             4.5 1.12 1.12
! peak number d 303  F1=  7.057  F2=  3.214   null   null  d=  4.0
assi (( resid  21 and name HD*))
     (( resid  19 and name HB2))
             4.0 1.00 1.00
! peak number d 116  F1=  7.062  F2=  3.543   null   null  d=  3.6
assi (( resid  21 and name HD*))
     (( resid  20 and name HD*))
             3.6 0.91 0.91
! peak number d 295  F1=  7.062  F2=  1.224   null   null  d=  3.8
assi (( resid  21 and name HD*))
     (( resid  20 and name HG3))
             3.8 0.95 0.95
! peak number d 41  F1=  7.061  F2=  4.747   null   null  d=  3.5
assi (( resid  21 and name HD*))
     (( resid  21 and name HA))
             3.5 0.89 0.89
! peak number d 153  F1=  7.062  F2=  3.000   null   null  d=  3.1
assi (( resid  21 and name HD*))
     (( resid  21 and name HB2))
             3.1 0.77 0.77
! peak number d 12  F1=  7.055  F2=  6.820   null   null  d=  2.3
assi (( resid  21 and name HD*))
     (( resid  21 and name HE*))
             2.3 0.57 0.57
! peak number d 178  F1=  7.062  F2=  2.666   null   null  d=  2.8
assi (( resid  21 and name HD*))
     (( resid  32 and name HB3))
             2.8 0.71 0.71
! peak number d 345  F1=  7.073  F2=  1.876   null   null  d=  5.2
assi (( resid  21 and name HD*))
     (( resid  33 and name HB2))
             5.2 1.30 1.30
! peak number h 580  F1=  7.055  F2=  3.228   null   null  d=  4.2
assi (( resid  21 and name HD*))
     (( resid  34 and name HB3))
             4.2 1.05 1.05
! peak number d 117  F1=  6.813  F2=  3.543   null   null  d=  3.6
assi (( resid  21 and name HE*))
     (( resid  20 and name HD*))
             3.6 0.90 0.90
! peak number d 286  F1=  6.812  F2=  1.232   null   null  d=  3.6
assi (( resid  21 and name HE*))
     (( resid  20 and name HG3))
             3.6 0.90 0.90
! peak number d 150  F1=  6.820  F2=  3.015   null   null  d=  4.4
assi (( resid  21 and name HE*))
     (( resid  21 and name HB2) or ( resid 19 and name HB3))
             4.4 1.10 1.10
! peak number d 179  F1=  6.820  F2=  2.670   null   null  d=  4.2
assi (( resid  21 and name HE*))
     (( resid  32 and name HB3))
             4.2 1.06 1.06
! peak number h 242  F1=  7.568  F2=  2.851   null   null  d=  3.8
assi (( resid  21 and name HN))
     (( resid  13 and name HB3))
             3.8 0.96 0.96
! peak number h 581  F1=  7.565  F2=  3.223   null   null  d=  4.8
assi (( resid  21 and name HN))
     (( resid  19 and name HB2))
             4.8 1.20 1.20
! peak number h 371  F1=  7.569  F2=  3.534   null   null  d=  4.1
assi (( resid  21 and name HN))
     (( resid  20 and name HD*))
             4.1 1.02 1.02
! peak number h 225  F1=  7.565  F2=  2.993   null   null  d=  3.5
assi (( resid  21 and name HN))
     (( resid  21 and name HB2))
             3.5 0.88 0.88
! peak number h 83  F1=  2.658  F2=  7.569   null   null  d=  3.5
assi (( resid  21 and name HN))
     (( resid  21 and name HB3))
             3.5 0.88 0.88
! peak number h 254  F1=  7.568  F2=  2.654   null   null  d=  3.3
assi (( resid  21 and name HN))
     (( resid  31 and name HB3))
             3.3 0.82 0.82
! peak number h 330  F1=  7.536  F2=  1.520   null   null  d=  3.6
assi (( resid  21 and name HN) or ( resid 15 and name HN))
     (( resid  20 and name HB2) or ( resid 15 and name HG2))
             3.6 0.90 0.90
! peak number d 107  F1=  4.564  F2=  3.815   null   null  d=  2.0
assi (( resid  22 and name HA1))
     (( resid  22 and name HA2))
             2.0 0.31 0.31
! peak number d 133  F1=  3.810  F2=  3.285   null   null  d=  3.0
assi (( resid  22 and name HA2))
     (( resid  9 and name HB2))
             3.0 0.75 0.75
! peak number d 181  F1=  3.811  F2=  2.673   null   null  d=  4.0
assi (( resid  22 and name HA2))
     (( resid  9 and name HB3))
             4.0 1.00 1.00
! peak number h 224  F1=  8.308  F2=  2.995   null   null  d=  3.8
assi (( resid  22 and name HN))
     (( resid  21 and name HB2))
             3.8 0.95 0.95
! peak number h 427  F1=  8.305  F2=  7.060   null   null  d=  4.5
assi (( resid  22 and name HN))
     (( resid  21 and name HD*))
             4.5 1.12 1.12
! peak number h 145  F1=  8.307  F2=  4.552   null   null  d=  3.7
assi (( resid  22 and name HN))
     (( resid  22 and name HA1))
             3.7 0.56 0.56
! peak number h 182  F1=  8.308  F2=  3.808   null   null  d=  3.2
assi (( resid  22 and name HN))
     (( resid  22 and name HA2))
             3.2 0.48 0.48
! peak number h 252  F1=  8.308  F2=  2.658   null   null  d=  3.7
assi (( resid  22 and name HN))
     (( resid  9 and name HB3) or ( resid 21 and name HB3))
             3.7 0.93 0.93
! peak number d 250  F1=  4.442  F2=  1.810   null   null  d=  2.7
assi (( resid  23 and name HA))
     (( resid  23 and name HB2))
             2.7 0.67 0.67
! peak number d 217  F1=  4.452  F2=  2.138   null   null  d=  3.4
assi (( resid  23 and name HA))
     (( resid  24 and name HB3))
             3.4 0.85 0.85
! peak number d 169  F1=  4.452  F2=  2.752   null   null  d=  3.4
assi (( resid  23 and name HA))
     (( resid  6 and name HB2))
             3.4 0.85 0.85
! peak number d 282  F1=  4.452  F2=  1.438   null   null  d=  3.3
assi (( resid  23 and name HA) or ( resid 18 and name HA1))
     (( resid  23 and name HG*) or ( resid 14 and name HG*))
             3.3 0.82 0.82
! peak number h 513  F1=  1.443  F2=  1.823   null   null  d=  1.9
assi (( resid  23 and name HB2) or ( resid 14 and name HB3))
     (( resid  23 and name HG*) or ( resid 14 and name HG*))
             1.9 0.47 0.47
! peak number h 146  F1=  8.207  F2=  4.558   null   null  d=  2.9
assi (( resid  23 and name HN))
     (( resid  22 and name HA1))
             2.9 0.43 0.43
! peak number h 183  F1=  8.208  F2=  3.808   null   null  d=  3.0
assi (( resid  23 and name HN))
     (( resid  22 and name HA2))
             3.0 0.45 0.45
! peak number h 157  F1=  8.207  F2=  4.450   null   null  d=  3.3
assi (( resid  23 and name HN))
     (( resid  23 and name HA))
             3.3 0.49 0.49
! peak number h 396  F1=  8.208  F2=  1.818   null   null  d=  3.8
assi (( resid  23 and name HN))
     (( resid  23 and name HB2))
             3.8 0.95 0.95
! peak number h 328  F1=  8.206  F2=  1.622   null   null  d=  2.9
assi (( resid  23 and name HN))
     (( resid  23 and name HB3))
             2.9 0.72 0.72
! peak number h 558  F1=  8.206  F2=  1.728   null   null  d=  4.8
assi (( resid  23 and name HN))
     (( resid  23 and name HD*))
             4.8 1.19 1.19
! peak number h 452  F1=  8.200  F2=  1.449   null   null  d=  4.3
assi (( resid  23 and name HN))
     (( resid  23 and name HG*))
             4.3 1.07 1.07
! peak number d 185  F1=  4.968  F2=  2.766   null   null  d=  2.9
assi (( resid  24 and name HA))
     (( resid  24 and name HB2))
             2.9 0.72 0.72
! peak number d 215  F1=  4.962  F2=  2.153   null   null  d=  2.7
assi (( resid  24 and name HA))
     (( resid  24 and name HB3))
             2.7 0.66 0.66
! peak number d 167  F1=  2.146  F2=  2.776   null   null  d=  1.9
assi (( resid  24 and name HB2))
     (( resid  24 and name HB3))
             1.9 0.48 0.48
! peak number h 156  F1=  8.677  F2=  4.455   null   null  d=  2.5
assi (( resid  24 and name HN))
     (( resid  23 and name HA))
             2.5 0.38 0.38
! peak number h 313  F1=  8.682  F2=  1.811   null   null  d=  3.2
assi (( resid  24 and name HN))
     (( resid  23 and name HB2))
             3.2 0.81 0.81
! peak number h 556  F1=  1.614  F2=  8.691   null   null  d=  5.0
assi (( resid  24 and name HN))
     (( resid  23 and name HB3))
             5.0 1.25 1.25
! peak number h 111  F1=  8.674  F2=  4.956   null   null  d=  3.2
assi (( resid  24 and name HN))
     (( resid  24 and name HA))
             3.2 0.48 0.48
! peak number h 27  F1=  2.133  F2=  8.685   null   null  d=  3.2
assi (( resid  24 and name HN))
     (( resid  24 and name HB3))
             3.2 0.79 0.79
! peak number h 441  F1=  8.688  F2=  4.005   null   null  d=  4.1
assi (( resid  24 and name HN))
     (( resid  6 and name HA))
             4.1 0.61 0.61
! peak number h 243  F1=  8.679  F2=  2.760   null   null  d=  3.0
assi (( resid  24 and name HN))
     (( resid  6 and name HB2))
             3.0 0.75 0.75
! peak number d 227  F1=  4.747  F2=  2.059   null   null  d=  2.6
assi (( resid  25 and name HA))
     (( resid  25 and name HB2))
             2.6 0.65 0.65
! peak number d 245  F1=  4.750  F2=  1.834   null   null  d=  2.9
assi (( resid  25 and name HA))
     (( resid  25 and name HB3))
             2.9 0.71 0.71
! peak number d 199  F1=  4.753  F2=  2.426   null   null  d=  3.6
assi (( resid  25 and name HA))
     (( resid  25 and name HG*))
             3.6 0.90 0.90
! peak number d 253  F1=  2.057  F2=  1.852   null   null  d=  1.8
assi (( resid  25 and name HB2))
     (( resid  25 and name HB3))
             1.8 0.45 0.45
! peak number d 268  F1=  2.420  F2=  1.631   null   null  d=  3.2
assi (( resid  25 and name HG*))
     (( resid  23 and name HB3))
             3.2 0.80 0.80
! peak number d 198  F1=  2.049  F2=  2.419   null   null  d=  2.4
assi (( resid  25 and name HG*))
     (( resid  25 and name HB2))
             2.4 0.61 0.61
! peak number d 195  F1=  1.847  F2=  2.428   null   null  d=  2.7
assi (( resid  25 and name HG*))
     (( resid  25 and name HB3))
             2.7 0.67 0.67
! peak number h 495  F1=  8.712  F2=  4.962   null   null  d=  2.4
assi (( resid  25 and name HN))
     (( resid  24 and name HA))
             2.4 0.36 0.36
! peak number h 392  F1=  8.722  F2=  2.035   null   null  d=  3.7
assi (( resid  25 and name HN))
     (( resid  25 and name HB2))
             3.7 0.93 0.93
! peak number h 24  F1=  1.846  F2=  8.722   null   null  d=  3.2
assi (( resid  25 and name HN))
     (( resid  25 and name HB3))
             3.2 0.80 0.80
! peak number h 393  F1=  8.721  F2=  2.418   null   null  d=  4.4
assi (( resid  25 and name HN))
     (( resid  25 and name HG*))
             4.4 1.11 1.11
! peak number h 307  F1=  8.725  F2=  1.811   null   null  d=  3.2
assi (( resid  25 and name HN))
     (( resid  28 and name HB2))
             3.2 0.80 0.80
! peak number h 26  F1=  7.739  F2=  8.715   null   null  d=  3.4
assi (( resid  25 and name HN))
     (( resid  28 and name HN))
             3.4 0.51 0.51
! peak number d 151  F1=  4.314  F2=  3.023   null   null  d=  2.8
assi (( resid  26 and name HA))
     (( resid  26 and name HB2))
             2.8 0.70 0.70
! peak number d 265  F1=  4.315  F2=  1.636   null   null  d=  3.4
assi (( resid  26 and name HA))
     (( resid  27 and name HG*))
             3.4 0.85 0.85
! peak number h 362  F1=  3.018  F2=  2.688   null   null  d=  1.8
assi (( resid  26 and name HB2) or ( resid 21 and name HB2))
     (( resid  26 and name HB3) or ( resid 21 and name HB3))
             1.8 0.45 0.45
! peak number h 77  F1=  7.187  F2=  7.611   null   null  d=  1.8
assi (( resid  26 and name HD22))
     (( resid  26 and name HD21))
             1.8 0.45 0.45
! peak number h 494  F1=  3.306  F2=  7.615   null   null  d=  4.1
assi (( resid  26 and name HD22))
     (( resid  27 and name HD*))
             4.1 1.02 1.02
! peak number h 134  F1=  9.419  F2=  4.739   null   null  d=  2.1
assi (( resid  26 and name HN))
     (( resid  25 and name HA))
             2.1 0.32 0.32
! peak number h 431  F1=  9.426  F2=  2.037   null   null  d=  4.8
assi (( resid  26 and name HN))
     (( resid  25 and name HB2))
             4.8 1.20 1.20
! peak number h 159  F1=  9.424  F2=  4.315   null   null  d=  2.6
assi (( resid  26 and name HN))
     (( resid  26 and name HA))
             2.6 0.39 0.39
! peak number h 397  F1=  9.425  F2=  2.697   null   null  d=  4.4
assi (( resid  26 and name HN))
     (( resid  26 and name HB3))
             4.4 1.10 1.10
! peak number h 10  F1=  8.469  F2=  9.420   null   null  d=  3.5
assi (( resid  26 and name HN))
     (( resid  27 and name HN))
             3.5 0.52 0.52
! peak number d 202  F1=  3.979  F2=  2.289   null   null  d=  2.2
assi (( resid  27 and name HA))
     (( resid  27 and name HB2))
             2.2 0.56 0.56
! peak number d 213  F1=  3.971  F2=  2.195   null   null  d=  2.8
assi (( resid  27 and name HA))
     (( resid  27 and name HB3))
             2.8 0.70 0.70
! peak number d 266  F1=  3.971  F2=  1.634   null   null  d=  2.7
assi (( resid  27 and name HA))
     (( resid  27 and name HG*))
             2.7 0.68 0.68
! peak number d 210  F1=  1.495  F2=  2.258   null   null  d=  2.6
assi (( resid  27 and name HB2))
     (( resid  1 and name HB*))
             2.6 0.65 0.65
! peak number d 200  F1=  1.630  F2=  2.293   null   null  d=  2.6
assi (( resid  27 and name HB2))
     (( resid  27 and name HG*))
             2.6 0.65 0.65
! peak number d 214  F1=  1.629  F2=  2.194   null   null  d=  2.3
assi (( resid  27 and name HB3))
     (( resid  27 and name HG*))
             2.3 0.59 0.59
! peak number h 214  F1=  7.115  F2=  3.270   null   null  d=  4.3
assi (( resid  27 and name HH22))
     (( resid  27 and name HD*))
             4.3 1.07 1.07
! peak number h 160  F1=  8.466  F2=  4.323   null   null  d=  3.0
assi (( resid  27 and name HN))
     (( resid  26 and name HA))
             3.0 0.45 0.45
! peak number h 176  F1=  8.468  F2=  3.971   null   null  d=  2.5
assi (( resid  27 and name HN))
     (( resid  27 and name HA))
             2.5 0.38 0.38
! peak number h 432  F1=  8.469  F2=  2.203   null   null  d=  4.2
assi (( resid  27 and name HN))
     (( resid  27 and name HB3))
             4.2 1.06 1.06
! peak number h 327  F1=  8.467  F2=  1.628   null   null  d=  3.1
assi (( resid  27 and name HN))
     (( resid  27 and name HG*))
             3.1 0.78 0.78
! peak number h 71  F1=  8.470  F2=  7.736   null   null  d=  3.2
assi (( resid  27 and name HN))
     (( resid  28 and name HN))
             3.2 0.48 0.48
! peak number d 22  F1=  1.793  F2=  5.051   null   null  d=  2.8
assi (( resid  28 and name HA))
     (( resid  28 and name HB2))
             2.8 0.71 0.71
! peak number d 23  F1=  1.709  F2=  5.041   null   null  d=  3.4
assi (( resid  28 and name HA))
     (( resid  28 and name HB3))
             3.4 0.85 0.85
! peak number d 19  F1=  1.421  F2=  5.047   null   null  d=  3.2
assi (( resid  28 and name HA))
     (( resid  28 and name HG*))
             3.2 0.81 0.81
! peak number h 549  F1=  7.736  F2=  3.969   null   null  d=  3.0
assi (( resid  28 and name HN))
     (( resid  27 and name HA))
             3.0 0.45 0.45
! peak number h 560  F1=  7.730  F2=  2.193   null   null  d=  4.3
assi (( resid  28 and name HN))
     (( resid  27 and name HB3))
             4.3 1.07 1.07
! peak number h 398  F1=  7.738  F2=  1.780   null   null  d=  3.6
assi (( resid  28 and name HN))
     (( resid  28 and name HB2))
             3.6 0.90 0.90
! peak number h 320  F1=  7.739  F2=  1.688   null   null  d=  3.4
assi (( resid  28 and name HN))
     (( resid  28 and name HB3))
             3.4 0.85 0.85
! peak number h 340  F1=  7.741  F2=  1.433   null   null  d=  4.0
assi (( resid  28 and name HN))
     (( resid  28 and name HG*))
             4.0 1.00 1.00
! peak number d 193  F1=  4.979  F2=  2.497   null   null  d=  2.7
assi (( resid  29 and name HA))
     (( resid  29 and name HB3))
             2.7 0.66 0.66
! peak number d 259  F1=  4.982  F2=  1.720   null   null  d=  4.1
assi (( resid  29 and name HA) or ( resid 24 and name HA))
     (( resid  30 and name HB3) or ( resid 28 and name HB3))
             4.1 1.02 1.02
! peak number d 159  F1=  1.492  F2=  2.909   null   null  d=  3.4
assi (( resid  29 and name HB2))
     (( resid  1 and name HB*))
             3.4 0.84 0.84
! peak number d 158  F1=  2.502  F2=  2.910   null   null  d=  1.9
assi (( resid  29 and name HB2))
     (( resid  29 and name HB3))
             1.9 0.46 0.46
! peak number d 337  F1=  2.496  F2=  1.487   null   null  d=  3.7
assi (( resid  29 and name HB3))
     (( resid  1 and name HB*))
             3.7 0.93 0.93
! peak number h 450  F1=  8.249  F2=  1.491   null   null  d=  4.4
assi (( resid  29 and name HN))
     (( resid  1 and name HB*))
             4.4 1.10 1.10
! peak number h 108  F1=  8.255  F2=  5.049   null   null  d=  2.5
assi (( resid  29 and name HN))
     (( resid  28 and name HA))
             2.5 0.38 0.38
! peak number h 314  F1=  8.253  F2=  1.791   null   null  d=  3.9
assi (( resid  29 and name HN))
     (( resid  28 and name HB2))
             3.9 1.00 1.00
! peak number h 119  F1=  8.250  F2=  4.967   null   null  d=  2.9
assi (( resid  29 and name HN))
     (( resid  29 and name HA))
             2.9 0.43 0.43
! peak number h 233  F1=  8.254  F2=  2.906   null   null  d=  2.8
assi (( resid  29 and name HN))
     (( resid  29 and name HB2))
             2.8 0.69 0.69
! peak number h 265  F1=  8.252  F2=  2.495   null   null  d=  4.2
assi (( resid  29 and name HN))
     (( resid  29 and name HB3))
             4.2 1.04 1.04
! peak number d 141  F1=  4.755  F2=  3.233   null   null  d=  2.7
assi (( resid  3 and name HA))
     (( resid  3 and name HB2))
             2.7 0.68 0.68
! peak number d 314  F1=  4.744  F2=  3.054   null   null  d=  2.5
assi (( resid  3 and name HA))
     (( resid  3 and name HB3))
             2.5 0.62 0.62
! peak number d 263  F1=  4.754  F2=  1.678   null   null  d=  4.5
assi (( resid  3 and name HA))
     (( resid  4 and name HG*))
             4.5 1.12 1.12
! peak number d 149  F1=  4.745  F2=  2.972   null   null  d=  2.3
assi (( resid  3 and name HA))
     (( resid  8 and name HB*))
             2.3 0.57 0.57
! peak number d 341  F1=  3.224  F2=  3.036   null   null  d=  1.8
assi (( resid  3 and name HB2) or ( resid 19 and name HB2))
     (( resid  3 and name HB3) or ( resid 19 and name HB3))
             1.8 0.45 0.45
! peak number h 105  F1=  7.876  F2=  5.079   null   null  d=  2.7
assi (( resid  3 and name HN))
     (( resid  2 and name HA))
             2.7 0.41 0.41
! peak number h 172  F1=  7.846  F2=  3.990   null   null  d=  2.9
assi (( resid  3 and name HN))
     (( resid  27 and name HA))
             2.9 0.43 0.43
! peak number h 271  F1=  7.871  F2=  2.275   null   null  d=  3.6
assi (( resid  3 and name HN))
     (( resid  27 and name HB2))
             3.6 0.90 0.90
! peak number h 440  F1=  7.879  F2=  3.241   null   null  d=  4.9
assi (( resid  3 and name HN))
     (( resid  3 and name HB2))
             4.9 1.23 1.23
! peak number h 223  F1=  7.877  F2=  3.033   null   null  d=  3.6
assi (( resid  3 and name HN))
     (( resid  3 and name HB3))
             3.6 0.90 0.90
! peak number h 516  F1=  1.696  F2=  1.423   null   null  d=  1.8
assi (( resid  30 and name HD*) or ( resid 28 and name HD*) or ( resid 28 and name HB3))
     (( resid  30 and name HG*) or ( resid 28 and name HG*))
             1.8 0.45 0.45
! peak number h 3  F1=  8.204  F2=  9.456   null   null  d=  3.5
assi (( resid  30 and name HN))
     (( resid  23 and name HN))
             3.5 0.53 0.53
! peak number h 110  F1=  9.456  F2=  4.968   null   null  d=  2.4
assi (( resid  30 and name HN))
     (( resid  29 and name HA))
             2.4 0.36 0.36
! peak number h 445  F1=  9.461  F2=  2.912   null   null  d=  4.8
assi (( resid  30 and name HN))
     (( resid  29 and name HB2))
             4.8 1.20 1.20
! peak number h 264  F1=  9.458  F2=  2.490   null   null  d=  3.7
assi (( resid  30 and name HN))
     (( resid  29 and name HB3))
             3.7 0.93 0.93
! peak number h 306  F1=  9.458  F2=  1.841   null   null  d=  3.2
assi (( resid  30 and name HN))
     (( resid  30 and name HB2))
             3.2 0.80 0.80
! peak number h 319  F1=  9.457  F2=  1.714   null   null  d=  4.1
assi (( resid  30 and name HN))
     (( resid  30 and name HB3))
             4.1 1.60 1.60
! peak number d 28  F1=  4.563  F2=  4.963   null   null  d=  2.9
assi (( resid  31 and name HA))
     (( resid  22 and name HA1))
             2.9 0.43 0.43
! peak number d 108  F1=  4.958  F2=  3.808   null   null  d=  2.8
assi (( resid  31 and name HA))
     (( resid  22 and name HA2))
             2.8 0.43 0.43
! peak number d 128  F1=  4.958  F2=  3.360   null   null  d=  2.6
assi (( resid  31 and name HA))
     (( resid  31 and name HB2))
             2.6 0.65 0.65
! peak number d 131  F1=  1.133  F2=  3.350   null   null  d=  3.0
assi (( resid  31 and name HB2))
     (( resid  17 and name HG2*))
             3.0 0.76 0.76
! peak number d 129  F1=  2.619  F2=  3.368   null   null  d=  1.9
assi (( resid  31 and name HB2))
     (( resid  31 and name HB3))
             1.9 0.48 0.48
! peak number d 207  F1=  2.622  F2=  2.250   null   null  d=  3.1
assi (( resid  31 and name HB3))
     (( resid  16 and name HG*))
             3.1 0.78 0.78
! peak number d 189  F1=  1.133  F2=  2.625   null   null  d=  3.0
assi (( resid  31 and name HB3))
     (( resid  17 and name HG2*))
             3.0 0.76 0.76
! peak number h 564  F1=  9.200  F2=  2.485   null   null  d=  4.5
assi (( resid  31 and name HN))
     (( resid  29 and name HB3))
             4.5 1.12 1.12
! peak number h 447  F1=  9.198  F2=  1.740   null   null  d=  4.3
assi (( resid  31 and name HN))
     (( resid  30 and name HB3))
             4.3 1.07 1.07
! peak number h 448  F1=  9.203  F2=  1.430   null   null  d=  4.2
assi (( resid  31 and name HN))
     (( resid  30 and name HG*))
             4.2 1.05 1.05
! peak number h 116  F1=  9.196  F2=  4.967   null   null  d=  3.3
assi (( resid  31 and name HN))
     (( resid  31 and name HA))
             3.3 0.49 0.49
! peak number h 11  F1=  3.365  F2=  9.189   null   null  d=  5.2
assi (( resid  31 and name HN))
     (( resid  31 and name HB2))
             5.2 2.59 2.59
! peak number h 12  F1=  2.625  F2=  9.193   null   null  d=  2.8
assi (( resid  31 and name HN))
     (( resid  31 and name HB3))
             2.8 0.70 0.70
! peak number d 162  F1=  4.801  F2=  2.868   null   null  d=  2.8
assi (( resid  32 and name HA))
     (( resid  32 and name HB2))
             2.8 0.70 0.70
! peak number d 174  F1=  4.802  F2=  2.670   null   null  d=  2.9
assi (( resid  32 and name HA))
     (( resid  32 and name HB3))
             2.9 0.72 0.72
! peak number d 252  F1=  4.813  F2=  1.764   null   null  d=  3.9
assi (( resid  32 and name HA))
     (( resid  33 and name HB3))
             3.9 0.97 0.97
! peak number d 166  F1=  2.659  F2=  2.866   null   null  d=  1.8
assi (( resid  32 and name HB2))
     (( resid  32 and name HB3))
             1.8 0.45 0.45
! peak number h 86  F1=  6.885  F2=  7.540   null   null  d=  1.8
assi (( resid  32 and name HD21))
     (( resid  32 and name HD22))
             1.8 0.45 0.45
! peak number h 565  F1=  8.758  F2=  1.137   null   null  d=  5.0
assi (( resid  32 and name HN))
     (( resid  17 and name HG2*))
             5.0 1.25 1.25
! peak number h 19  F1=  2.656  F2=  8.737   null   null  d=  2.7
assi (( resid  32 and name HN))
     (( resid  21 and name HB3))
             2.7 0.68 0.68
! peak number h 117  F1=  8.757  F2=  4.956   null   null  d=  2.4
assi (( resid  32 and name HN))
     (( resid  31 and name HA))
             2.4 0.36 0.36
! peak number h 198  F1=  8.756  F2=  3.350   null   null  d=  3.2
assi (( resid  32 and name HN))
     (( resid  31 and name HB2))
             3.2 0.80 0.80
! peak number h 18  F1=  2.870  F2=  8.748   null   null  d=  4.3
assi (( resid  32 and name HN))
     (( resid  32 and name HB2))
             4.3 1.07 1.07
! peak number d 313  F1=  4.482  F2=  3.028   null   null  d=  3.2
assi (( resid  33 and name HA))
     (( resid  19 and name HB3))
             3.2 0.90 0.90
! peak number d 239  F1=  4.469  F2=  1.899   null   null  d=  2.8
assi (( resid  33 and name HA))
     (( resid  33 and name HB2))
             2.8 0.70 0.70
! peak number d 318  F1=  1.759  F2=  4.474   null   null  d=  2.9
assi (( resid  33 and name HA))
     (( resid  33 and name HB3))
             2.9 0.72 0.72
! peak number d 264  F1=  4.481  F2=  1.637   null   null  d=  2.8
assi (( resid  33 and name HA) or ( resid 23 and name HA))
     (( resid  33 and name HG*) or ( resid 23 and name HB3))
             2.8 0.70 0.70
! peak number h 365  F1=  1.907  F2=  1.652   null   null  d=  2.7
assi (( resid  33 and name HB2))
     (( resid  33 and name HG*))
             2.7 0.68 0.68
! peak number d 139  F1=  1.759  F2=  3.234   null   null  d=  3.2
assi (( resid  33 and name HD*))
     (( resid  33 and name HB3))
             3.2 0.80 0.80
! peak number d 144  F1=  1.651  F2=  3.239   null   null  d=  2.5
assi (( resid  33 and name HD*))
     (( resid  33 and name HG*))
             2.5 0.62 0.62
! peak number h 437  F1=  7.239  F2=  2.998   null   null  d=  4.0
assi (( resid  33 and name HE))
     (( resid  21 and name HB2))
             4.0 1.00 1.00
! peak number h 255  F1=  7.240  F2=  2.659   null   null  d=  3.3
assi (( resid  33 and name HE))
     (( resid  21 and name HB3))
             3.3 0.84 0.84
! peak number h 97  F1=  7.242  F2=  6.685   null   null  d=  1.8
assi (( resid  33 and name HE))
     (( resid  33 and name HH2*))
             1.8 0.45 0.45
! peak number h 125  F1=  8.449  F2=  4.801   null   null  d=  2.7
assi (( resid  33 and name HN))
     (( resid  32 and name HA))
             2.7 0.41 0.41
! peak number h 235  F1=  8.447  F2=  2.872   null   null  d=  3.4
assi (( resid  33 and name HN))
     (( resid  32 and name HB2))
             3.4 0.84 0.84
! peak number h 251  F1=  8.450  F2=  2.662   null   null  d=  4.3
assi (( resid  33 and name HN))
     (( resid  32 and name HB3))
             4.3 1.07 1.07
! peak number h 152  F1=  8.450  F2=  4.471   null   null  d=  3.3
assi (( resid  33 and name HN))
     (( resid  33 and name HA))
             3.3 0.49 0.49
! peak number h 301  F1=  8.443  F2=  1.886   null   null  d=  3.8
assi (( resid  33 and name HN))
     (( resid  33 and name HB2))
             3.8 0.96 0.96
! peak number h 315  F1=  8.448  F2=  1.759   null   null  d=  3.0
assi (( resid  33 and name HN))
     (( resid  33 and name HB3))
             3.0 0.75 0.75
! peak number d 136  F1=  4.814  F2=  3.305   null   null  d=  2.6
assi (( resid  34 and name HA))
     (( resid  34 and name HB2))
             2.6 0.65 0.65
! peak number d 39  F1=  3.255  F2=  4.820   null   null  d=  3.1
assi (( resid  34 and name HA))
     (( resid  34 and name HB3))
             3.1 0.78 0.78
! peak number h 221  F1=  8.613  F2=  3.031   null   null  d=  3.2
assi (( resid  34 and name HN))
     (( resid  19 and name HB3))
             3.2 0.79 0.79
! peak number h 151  F1=  8.612  F2=  4.473   null   null  d=  2.6
assi (( resid  34 and name HN))
     (( resid  33 and name HA))
             2.6 0.39 0.39
! peak number h 300  F1=  8.613  F2=  1.903   null   null  d=  3.8
assi (( resid  34 and name HN))
     (( resid  33 and name HB2))
             3.8 0.94 0.94
! peak number h 391  F1=  8.614  F2=  1.768   null   null  d=  4.4
assi (( resid  34 and name HN))
     (( resid  33 and name HB3))
             4.4 1.10 1.10
! peak number h 209  F1=  8.613  F2=  3.267   null   null  d=  3.2
assi (( resid  34 and name HN))
     (( resid  34 and name HB3))
             3.2 0.80 0.80
! peak number d 235  F1=  4.495  F2=  1.951   null   null  d=  2.5
assi (( resid  4 and name HA))
     (( resid  4 and name HB3))
             2.5 0.62 0.62
! peak number d 71  F1=  1.658  F2=  4.481   null   null  d=  2.8
assi (( resid  4 and name HA) or ( resid 33 and name HA))
     (( resid  4 and name HG*) or ( resid 33 and name HG*))
             2.8 0.69 0.69
! peak number h 296  F1=  1.662  F2=  1.901   null   null  d=  1.8
assi (( resid  4 and name HB2) or ( resid 33 and name HB2))
     (( resid  4 and name HG*) or ( resid 33 and name HG*))
             1.8 0.45 0.45
! peak number d 262  F1=  1.946  F2=  1.691   null   null  d=  1.8
assi (( resid  4 and name HB3))
     (( resid  4 and name HG*))
             1.8 0.45 0.45
! peak number d 238  F1=  1.232  F2=  1.943   null   null  d=  2.6
assi (( resid  4 and name HB3))
     (( resid  5 and name HG2*))
             2.6 0.65 0.65
! peak number d 322  F1=  1.687  F2=  1.940   null   null  d=  2.0
assi (( resid  4 and name HB3) or ( resid 4 and name HB2))
     (( resid  4 and name HG*))
             2.0 0.50 0.50
! peak number d 138  F1=  1.920  F2=  3.241   null   null  d=  3.6
assi (( resid  4 and name HD*))
     (( resid  4 and name HB2))
             3.6 0.90 0.90
! peak number h 303  F1=  3.240  F2=  1.900   null   null  d=  4.0
assi (( resid  4 and name HD*) or ( resid 33 and name HD*))
     (( resid  4 and name HB2) or ( resid 33 and name HB2))
             4.0 1.00 1.00
! peak number h 127  F1=  9.611  F2=  4.752   null   null  d=  2.6
assi (( resid  4 and name HN))
     (( resid  3 and name HA))
             2.6 0.39 0.39
! peak number h 216  F1=  9.610  F2=  3.234   null   null  d=  3.0
assi (( resid  4 and name HN))
     (( resid  3 and name HB2))
             3.0 0.75 0.75
! peak number h 297  F1=  9.612  F2=  1.924   null   null  d=  2.9
assi (( resid  4 and name HN))
     (( resid  4 and name HB2))
             2.9 0.72 0.72
! peak number h 539  F1=  1.675  F2=  9.618   null   null  d=  2.8
assi (( resid  4 and name HN))
     (( resid  4 and name HG*))
             2.8 0.70 0.70
! peak number h 2  F1=  8.165  F2=  9.613   null   null  d=  2.5
assi (( resid  4 and name HN))
     (( resid  5 and name HN))
             2.5 0.37 0.37
! peak number h 228  F1=  9.609  F2=  2.992   null   null  d=  3.0
assi (( resid  4 and name HN))
     (( resid  8 and name HB*))
             3.0 0.75 0.75
! peak number d 20  F1=  4.608  F2=  4.987   null   null  d=  2.8
assi (( resid  5 and name HA))
     (( resid  5 and name HB))
             2.8 0.80 0.80
! peak number d 27  F1=  1.233  F2=  4.992   null   null  d=  2.9
assi (( resid  5 and name HA))
     (( resid  5 and name HG2*))
             2.9 0.73 0.73
! peak number d 21  F1=  3.991  F2=  4.986   null   null  d=  2.2
assi (( resid  5 and name HA))
     (( resid  6 and name HD*))
             2.2 0.56 0.56
! peak number d 350  F1=  4.988  F2=  2.309   null   null  d=  4.6
assi (( resid  5 and name HA))
     (( resid  6 and name HG*))
             4.6 1.15 1.15
! peak number d 59  F1=  1.234  F2=  4.616   null   null  d=  3.0
assi (( resid  5 and name HB))
     (( resid  5 and name HG2*))
             3.0 0.76 0.76
! peak number d 100  F1=  4.609  F2=  3.994   null   null  d=  2.5
assi (( resid  5 and name HB))
     (( resid  6 and name HD*))
             2.5 0.61 0.61
! peak number h 217  F1=  8.163  F2=  3.231   null   null  d=  3.4
assi (( resid  5 and name HN))
     (( resid  3 and name HB2))
             3.4 0.85 0.85
! peak number h 298  F1=  8.164  F2=  1.915   null   null  d=  3.2
assi (( resid  5 and name HN))
     (( resid  4 and name HB2))
             3.2 0.80 0.80
! peak number h 344  F1=  8.159  F2=  1.230   null   null  d=  3.9
assi (( resid  5 and name HN))
     (( resid  5 and name HG2*))
             3.9 0.97 0.97
! peak number h 229  F1=  8.164  F2=  2.977   null   null  d=  3.2
assi (( resid  5 and name HN))
     (( resid  8 and name HB*))
             3.2 0.80 0.80
! peak number d 170  F1=  4.011  F2=  2.742   null   null  d=  2.8
assi (( resid  6 and name HA))
     (( resid  6 and name HB2))
             2.8 0.75 0.75
! peak number d 228  F1=  4.002  F2=  2.050   null   null  d=  2.8
assi (( resid  6 and name HA))
     (( resid  6 and name HB3))
             2.8 0.69 0.69
! peak number d 173  F1=  2.044  F2=  2.745   null   null  d=  2.2
assi (( resid  6 and name HB2))
     (( resid  6 and name HB3))
             2.2 0.56 0.56
! peak number d 172  F1=  2.305  F2=  2.743   null   null  d=  3.0
assi (( resid  6 and name HB2))
     (( resid  6 and name HG*))
             3.0 0.76 0.76
! peak number d 218  F1=  4.013  F2=  2.151   null   null  d=  2.5
assi (( resid  6 and name HD*))
     (( resid  24 and name HB3))
             2.5 0.63 0.63
! peak number d 289  F1=  3.993  F2=  1.239   null   null  d=  4.0
assi (( resid  6 and name HD*))
     (( resid  5 and name HG2*))
             4.0 1.01 1.01
! peak number h 175  F1=  2.297  F2=  3.994   null   null  d=  2.5
assi (( resid  6 and name HD*))
     (( resid  6 and name HG*))
             2.5 0.62 0.62
! peak number d 339  F1=  2.295  F2=  2.131   null   null  d=  1.8
assi (( resid  6 and name HG*))
     (( resid  24 and name HB3))
             1.8 0.45 0.45
! peak number h 358  F1=  2.035  F2=  2.291   null   null  d=  2.0
assi (( resid  6 and name HG*))
     (( resid  6 and name HB3))
             2.0 0.50 0.50
! peak number d 246  F1=  4.126  F2=  1.830   null   null  d=  2.8
assi (( resid  7 and name HA))
     (( resid  7 and name HB*))
             2.8 0.70 0.70
! peak number d 283  F1=  1.820  F2=  1.520   null   null  d=  1.9
assi (( resid  7 and name HB*))
     (( resid  7 and name HG*))
             1.9 0.48 0.48
! peak number h 515  F1=  1.703  F2=  1.534   null   null  d=  1.8
assi (( resid  7 and name HD*))
     (( resid  7 and name HG*))
             1.8 0.45 0.45
! peak number h 227  F1=  1.720  F2=  3.001   null   null  d=  2.2
assi (( resid  7 and name HE*) or ( resid 30 and name HE*) or ( resid 28 and name HE*))
     (( resid  7 and name HD*) or ( resid 30 and name HD*) or ( resid 28 and name HD*))
             2.2 0.55 0.55
! peak number h 459  F1=  1.237  F2=  7.852   null   null  d=  4.8
assi (( resid  7 and name HN))
     (( resid  5 and name HG2*))
             4.8 1.20 1.20
! peak number h 290  F1=  7.845  F2=  2.043   null   null  d=  3.9
assi (( resid  7 and name HN))
     (( resid  6 and name HB3))
             3.9 0.96 0.96
! peak number h 163  F1=  7.847  F2=  4.134   null   null  d=  3.3
assi (( resid  7 and name HN))
     (( resid  7 and name HA))
             3.3 0.49 0.49
! peak number h 312  F1=  7.848  F2=  1.819   null   null  d=  3.2
assi (( resid  7 and name HN))
     (( resid  7 and name HB*))
             3.2 0.81 0.81
! peak number h 213  F1=  7.607  F2=  3.254   null   null  d=  3.4
assi (( resid  8 and name HN))
     (( resid  3 and name HB2))
             3.4 0.85 0.85
! peak number h 439  F1=  7.594  F2=  4.011   null   null  d=  4.4
assi (( resid  8 and name HN))
     (( resid  6 and name HA))
             4.4 0.66 0.66
! peak number h 438  F1=  7.595  F2=  4.129   null   null  d=  4.2
assi (( resid  8 and name HN))
     (( resid  7 and name HA))
             4.2 0.63 0.63
! peak number h 308  F1=  7.598  F2=  1.826   null   null  d=  3.6
assi (( resid  8 and name HN))
     (( resid  7 and name HB*))
             3.6 0.91 0.91
! peak number h 576  F1=  7.591  F2=  1.520   null   null  d=  4.9
assi (( resid  8 and name HN))
     (( resid  7 and name HG*))
             4.9 1.23 1.23
! peak number h 231  F1=  7.604  F2=  2.967   null   null  d=  2.8
assi (( resid  8 and name HN))
     (( resid  8 and name HB*))
             2.8 0.69 0.69
! peak number h 81  F1=  3.258  F2=  7.600   null   null  d=  4.0
assi (( resid  8 and name HN))
     (( resid  9 and name HB2))
             4.0 1.00 1.00
! peak number d 254  F1=  4.721  F2=  1.747   null   null  d=  3.4
assi (( resid  9 and name HA))
     (( resid  12 and name HB3))
             3.4 0.85 0.85
! peak number d 109  F1=  4.709  F2=  3.652   null   null  d=  3.1
assi (( resid  9 and name HA))
     (( resid  12 and name HD*))
             3.1 1.30 1.30
! peak number d 204  F1=  4.709  F2=  2.255   null   null  d=  2.9
assi (( resid  9 and name HA))
     (( resid  12 and name HG2))
             2.9 0.72 0.72
! peak number d 132  F1=  4.709  F2=  3.281   null   null  d=  2.5
assi (( resid  9 and name HA))
     (( resid  9 and name HB2))
             2.5 0.62 0.62
! peak number d 190  F1=  3.283  F2=  2.503   null   null  d=  2.9
assi (( resid  9 and name HB2))
     (( resid  29 and name HB3))
             2.9 0.73 0.73
! peak number d 134  F1=  2.664  F2=  3.273   null   null  d=  1.9
assi (( resid  9 and name HB2))
     (( resid  9 and name HB3))
             1.9 0.49 0.49
! peak number h 67  F1=  7.235  F2=  7.733   null   null  d=  2.8
assi (( resid  9 and name HN))
     (( resid  10 and name HN))
             2.8 0.41 0.41
! peak number h 230  F1=  7.737  F2=  2.977   null   null  d=  3.4
assi (( resid  9 and name HN))
     (( resid  8 and name HB*))
             3.4 0.85 0.85
! peak number h 499  F1=  7.599  F2=  7.745   null   null  d=  2.4
assi (( resid  9 and name HN))
     (( resid  8 and name HN))
             2.4 0.36 0.36
! peak number h 210  F1=  7.737  F2=  3.265   null   null  d=  3.8
assi (( resid  9 and name HN))
     (( resid  9 and name HB2))
             3.8 0.95 0.95
! peak number h 253  F1=  7.738  F2=  2.660   null   null  d=  2.9
assi (( resid  9 and name HN))
     (( resid  9 and name HB3))
             2.9 0.72 0.72












  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   2H    ALA   1          HN2       ALA   1  -1.010  -3.298   1.659
    2    H    ALA   1           HN       ALA   1   0.608  -3.000   1.227
    3   3H    ALA   1          HN3       ALA   1   0.117  -2.962   2.868
    4    HA   ALA   1           HA       ALA   1   0.397  -0.723   1.804
    5   1HB   ALA   1          HB1       ALA   1  -1.378  -0.023   0.113
    6   2HB   ALA   1          HB2       ALA   1  -0.478  -1.441  -0.488
    7   3HB   ALA   1          HB3       ALA   1  -2.118  -1.658   0.210
    8    H    SER   2           HN       SER   2  -0.762   1.115   2.696
    9    HA   SER   2           HA       SER   2  -2.753   0.433   4.743
   10   1HB   SER   2          HB3       SER   2  -0.647   2.693   4.578
   11   2HB   SER   2          HB2       SER   2  -1.936   2.632   5.842
   12    HG   SER   2           HG       SER   2  -1.186   0.634   6.486
   13    H    CYS   3           HN       CYS   3  -4.373   2.112   5.301
   14    HA   CYS   3           HA       CYS   3  -5.294   3.718   2.994
   15   1HB   CYS   3          HB2       CYS   3  -7.664   2.682   3.512
   16   2HB   CYS   3          HB3       CYS   3  -6.447   1.647   2.731
   17    H    ARG   4           HN       ARG   4  -7.372   5.038   3.793
   18    HA   ARG   4           HA       ARG   4  -6.873   6.132   6.483
   19   1HB   ARG   4          HB3       ARG   4  -7.942   7.743   4.065
   20   2HB   ARG   4          HB2       ARG   4  -7.609   8.260   5.725
   21   1HG   ARG   4          HG3       ARG   4  -5.861   9.106   4.538
   22   2HG   ARG   4          HG2       ARG   4  -5.145   7.628   5.283
   23   1HD   ARG   4          HD2       ARG   4  -5.473   6.530   2.898
   24   2HD   ARG   4          HD3       ARG   4  -5.893   8.179   2.323
   25    HE   ARG   4           HE       ARG   4  -3.650   8.966   2.875
   26   1HH1  ARG   4          HH2       ARG   4  -3.831   5.456   3.325
   27   2HH1  ARG   4          HH2       ARG   4  -2.186   5.243   2.819
   28   1HH2  ARG   4          HH1       ARG   4  -1.523   8.622   2.623
   29   2HH2  ARG   4          HH1       ARG   4  -0.898   7.007   2.598
   30    H    THR   5           HN       THR   5  -9.347   5.624   3.890
   31    HA   THR   5           HA       THR   5 -11.297   4.661   5.818
   32    HB   THR   5           HB       THR   5 -13.089   5.615   4.359
   33    HG1  THR   5           HG1      THR   5 -12.472   7.268   2.914
   34   1HG2  THR   5          HG2       THR   5 -12.826   7.977   5.158
   35   2HG2  THR   5          HG2       THR   5 -12.239   6.853   6.433
   36   3HG2  THR   5          HG2       THR   5 -11.067   7.737   5.385
   37    HA   PRO   6           HA       PRO   6 -10.648   1.188   3.151
   38   1HB   PRO   6          HB2       PRO   6 -13.612   0.537   2.985
   39   2HB   PRO   6          HB3       PRO   6 -12.240  -0.465   3.528
   40   1HG   PRO   6          HG3       PRO   6 -14.000   0.737   5.318
   41   2HG   PRO   6          HG2       PRO   6 -12.227   0.659   5.661
   42   1HD   PRO   6          HD2       PRO   6 -13.782   3.045   4.540
   43   2HD   PRO   6          HD3       PRO   6 -12.533   2.932   5.878
   44    H    LYS   7           HN       LYS   7 -12.479   3.697   1.596
   45    HA   LYS   7           HA       LYS   7 -12.528   2.477  -1.033
   46   1HB   LYS   7          HB3       LYS   7 -14.228   4.171  -0.283
   47   2HB   LYS   7          HB2       LYS   7 -12.961   5.433  -0.356
   48   1HG   LYS   7          HG3       LYS   7 -14.303   5.560  -2.343
   49   2HG   LYS   7          HG2       LYS   7 -12.712   4.931  -2.862
   50   1HD   LYS   7          HD3       LYS   7 -13.715   2.584  -2.894
   51   2HD   LYS   7          HD2       LYS   7 -15.296   3.301  -2.426
   52   1HE   LYS   7          HE3       LYS   7 -15.286   4.674  -4.560
   53   2HE   LYS   7          HE2       LYS   7 -13.728   3.893  -5.046
   54   1HZ   LYS   7          HZ1       LYS   7 -15.622   2.841  -6.046
   55   2HZ   LYS   7          HZ2       LYS   7 -14.849   1.765  -4.984
   56   3HZ   LYS   7          HZ3       LYS   7 -16.308   2.504  -4.530
   57    H    ASP   8           HN       ASP   8  -9.981   3.994   0.854
   58    HA   ASP   8           HA       ASP   8  -8.370   4.825  -1.397
   59   1HB   ASP   8          HB3       ASP   8  -7.616   4.399   1.548
   60   2HB   ASP   8          HB2       ASP   8  -6.562   5.150   0.291
   61    H    CYS   9           HN       CYS   9  -9.228   1.710  -0.139
   62    HA   CYS   9           HA       CYS   9  -6.819   0.411  -1.109
   63   1HB   CYS   9          HB2       CYS   9  -8.002  -0.542   1.071
   64   2HB   CYS   9          HB3       CYS   9  -9.309  -1.028  -0.025
   65    H    ALA  10           HN       ALA  10  -9.815   1.587  -2.417
   66    HA   ALA  10           HA       ALA  10 -10.443  -0.345  -4.296
   67   1HB   ALA  10          HB1       ALA  10 -10.871   2.685  -4.516
   68   2HB   ALA  10          HB2       ALA  10 -11.758   1.423  -5.443
   69   3HB   ALA  10          HB3       ALA  10 -11.931   1.523  -3.661
   70    H    ASP  11           HN       ASP  11  -7.902   2.065  -4.406
   71    HA   ASP  11           HA       ASP  11  -7.267   1.654  -7.214
   72   1HB   ASP  11          HB2       ASP  11  -5.759   3.354  -5.165
   73   2HB   ASP  11          HB3       ASP  11  -5.586   3.392  -6.958
   74    HA   PRO  12           HA       PRO  12  -3.475  -0.865  -5.594
   75   1HB   PRO  12          HB3       PRO  12  -3.435  -1.704  -2.864
   76   2HB   PRO  12          HB2       PRO  12  -2.644  -0.215  -3.512
   77   1HG   PRO  12          HG3       PRO  12  -5.384  -0.557  -2.288
   78   2HG   PRO  12          HG2       PRO  12  -4.137   0.651  -1.789
   79   1HD   PRO  12          HD2       PRO  12  -6.140   1.411  -3.428
   80   2HD   PRO  12          HD3       PRO  12  -4.444   1.910  -3.839
   81    H    CYS  13           HN       CYS  13  -6.749  -1.615  -4.155
   82    HA   CYS  13           HA       CYS  13  -6.439  -4.473  -4.483
   83   1HB   CYS  13          HB2       CYS  13  -7.774  -3.483  -2.629
   84   2HB   CYS  13          HB3       CYS  13  -8.995  -2.938  -3.806
   85    H    ARG  14           HN       ARG  14  -7.814  -1.833  -6.554
   86    HA   ARG  14           HA       ARG  14  -8.671  -3.714  -8.589
   87   1HB   ARG  14          HB3       ARG  14  -9.829  -1.641  -8.343
   88   2HB   ARG  14          HB2       ARG  14  -8.326  -0.677  -8.619
   89   1HG   ARG  14          HG3       ARG  14  -8.168  -1.420 -10.919
   90   2HG   ARG  14          HG2       ARG  14  -9.500  -2.604 -10.679
   91   1HD   ARG  14          HD3       ARG  14  -9.935  -0.414 -12.095
   92   2HD   ARG  14          HD2       ARG  14 -11.238  -0.850 -10.928
   93    HE   ARG  14           HE       ARG  14  -9.585   0.674  -9.361
   94   1HH1  ARG  14          HH1       ARG  14 -11.042   1.354 -12.461
   95   2HH1  ARG  14          HH1       ARG  14 -10.981   3.073 -12.251
   96   1HH2  ARG  14          HH2       ARG  14  -9.531   2.910  -9.132
   97   2HH2  ARG  14          HH2       ARG  14 -10.124   3.926 -10.415
   98    H    LYS  15           HN       LYS  15  -5.612  -2.501  -7.683
   99    HA   LYS  15           HA       LYS  15  -4.502  -3.051 -10.313
  100   1HB   LYS  15          HB2       LYS  15  -3.765  -1.044  -9.119
  101   2HB   LYS  15          HB3       LYS  15  -3.213  -2.011  -7.725
  102   1HG   LYS  15          HG2       LYS  15  -1.330  -1.204  -9.110
  103   2HG   LYS  15          HG3       LYS  15  -1.382  -2.988  -9.015
  104   1HD   LYS  15          HD3       LYS  15  -0.758  -2.337 -11.235
  105   2HD   LYS  15          HD2       LYS  15  -2.374  -3.104 -11.329
  106   1HE   LYS  15          HE3       LYS  15  -3.432  -0.823 -11.593
  107   2HE   LYS  15          HE2       LYS  15  -1.803  -0.053 -11.396
  108   1HZ   LYS  15          HZ1       LYS  15  -2.432  -0.264 -13.690
  109   2HZ   LYS  15          HZ2       LYS  15  -1.068  -1.221 -13.359
  110   3HZ   LYS  15          HZ3       LYS  15  -2.591  -1.949 -13.548
  111    H    GLU  16           HN       GLU  16  -4.357  -4.438  -6.954
  112    HA   GLU  16           HA       GLU  16  -2.618  -6.613  -7.881
  113   1HB   GLU  16          HB3       GLU  16  -2.128  -7.302  -5.617
  114   2HB   GLU  16          HB2       GLU  16  -1.934  -5.544  -5.714
  115   1HG   GLU  16          HG3       GLU  16  -4.577  -5.730  -4.875
  116   2HG   GLU  16          HG2       GLU  16  -3.973  -7.296  -4.259
  117    H    THR  17           HN       THR  17  -6.111  -6.472  -6.796
  118    HA   THR  17           HA       THR  17  -6.179  -9.349  -7.540
  119    HB   THR  17           HB       THR  17  -8.226  -9.733  -6.484
  120    HG1  THR  17           HG1      THR  17  -9.206  -8.227  -5.148
  121   1HG2  THR  17          HG2       THR  17  -6.188  -8.301  -4.624
  122   2HG2  THR  17          HG2       THR  17  -7.405  -9.504  -4.120
  123   3HG2  THR  17          HG2       THR  17  -6.078  -9.982  -5.232
  124    H    GLY  18           HN       GLY  18  -7.901  -6.264  -7.888
  125   1HA   GLY  18          HA1       GLY  18  -7.981  -5.564 -10.280
  126   2HA   GLY  18          HA2       GLY  18  -8.789  -7.101 -10.632
  127    H    CYS  19           HN       CYS  19 -10.134  -6.655  -7.842
  128    HA   CYS  19           HA       CYS  19 -12.173  -4.697  -8.806
  129   1HB   CYS  19          HB3       CYS  19 -12.768  -7.309  -7.355
  130   2HB   CYS  19          HB2       CYS  19 -13.947  -6.041  -7.628
  131    HA   PRO  20           HA       PRO  20 -11.107  -2.795  -5.094
  132   1HB   PRO  20          HB2       PRO  20 -12.882  -0.768  -5.172
  133   2HB   PRO  20          HB3       PRO  20 -11.934  -1.140  -6.638
  134   1HG   PRO  20          HG3       PRO  20 -14.795  -2.079  -5.990
  135   2HG   PRO  20          HG2       PRO  20 -14.239  -1.167  -7.456
  136   1HD   PRO  20          HD3       PRO  20 -14.328  -4.048  -7.289
  137   2HD   PRO  20          HD2       PRO  20 -13.189  -3.079  -8.339
  138    H    TYR  21           HN       TYR  21 -12.036  -5.165  -4.052
  139    HA   TYR  21           HA       TYR  21 -13.997  -4.431  -1.931
  140   1HB   TYR  21          HB3       TYR  21 -13.251  -7.284  -3.101
  141   2HB   TYR  21          HB2       TYR  21 -14.165  -6.990  -1.604
  142    HD1  TYR  21           HD1      TYR  21 -15.428  -4.509  -4.048
  143    HD2  TYR  21           HD2      TYR  21 -15.424  -8.658  -2.874
  144    HE1  TYR  21           HE1      TYR  21 -17.513  -4.830  -5.218
  145    HE2  TYR  21           HE2      TYR  21 -17.547  -8.983  -4.070
  146    HH   TYR  21           HH       TYR  21 -19.125  -6.280  -5.826
  147    H    GLY  22           HN       GLY  22 -12.560  -3.392  -0.423
  148   1HA   GLY  22          HA1       GLY  22 -10.789  -5.324   0.909
  149   2HA   GLY  22          HA2       GLY  22 -10.004  -3.828   0.239
  150    H    LYS  23           HN       LYS  23 -10.467  -4.794   3.147
  151    HA   LYS  23           HA       LYS  23 -12.091  -2.481   4.090
  152   1HB   LYS  23          HB3       LYS  23 -11.345  -5.127   5.468
  153   2HB   LYS  23          HB2       LYS  23 -12.154  -3.749   6.298
  154   1HG   LYS  23          HG2       LYS  23 -13.434  -5.489   4.100
  155   2HG   LYS  23          HG3       LYS  23 -13.768  -5.373   5.849
  156   1HD   LYS  23          HD3       LYS  23 -14.324  -2.882   5.458
  157   2HD   LYS  23          HD2       LYS  23 -14.315  -3.250   3.696
  158   1HE   LYS  23          HE2       LYS  23 -16.109  -4.567   5.857
  159   2HE   LYS  23          HE3       LYS  23 -16.623  -3.325   4.642
  160   1HZ   LYS  23          HZ1       LYS  23 -15.593  -6.047   4.037
  161   2HZ   LYS  23          HZ2       LYS  23 -17.212  -5.540   3.981
  162   3HZ   LYS  23          HZ3       LYS  23 -16.078  -4.883   2.900
  163    H    CYS  24           HN       CYS  24 -11.281  -1.075   5.703
  164    HA   CYS  24           HA       CYS  24  -8.364  -0.945   5.895
  165   1HB   CYS  24          HB3       CYS  24  -9.964   1.028   5.253
  166   2HB   CYS  24          HB2       CYS  24 -10.278   1.226   6.975
  167    H    MET  25           HN       MET  25  -7.999  -2.640   7.209
  168    HA   MET  25           HA       MET  25  -9.095  -2.618   9.972
  169   1HB   MET  25          HB3       MET  25  -7.792  -4.913   8.401
  170   2HB   MET  25          HB2       MET  25  -8.361  -4.996  10.100
  171   1HG   MET  25          HG2       MET  25 -10.055  -5.034   7.572
  172   2HG   MET  25          HG3       MET  25 -10.005  -6.081   8.996
  173   1HE   MET  25          HE1       MET  25 -12.543  -5.540   7.801
  174   2HE   MET  25          HE2       MET  25 -12.460  -6.303   9.418
  175   3HE   MET  25          HE3       MET  25 -13.639  -4.984   9.114
  176    H    ASN  26           HN       ASN  26  -7.898  -1.258  11.029
  177    HA   ASN  26           HA       ASN  26  -6.307  -0.187  12.006
  178   1HB   ASN  26          HB2       ASN  26  -6.173  -2.790  12.842
  179   2HB   ASN  26          HB3       ASN  26  -4.445  -2.558  12.465
  180   1HD2  ASN  26          HD2       ASN  26  -4.337   0.305  13.236
  181   2HD2  ASN  26          HD2       ASN  26  -4.596   0.308  14.975
  182    H    ARG  27           HN       ARG  27  -6.093   0.350   9.505
  183    HA   ARG  27           HA       ARG  27  -5.069   1.386   7.961
  184   1HB   ARG  27          HB2       ARG  27  -2.523   1.423   9.457
  185   2HB   ARG  27          HB3       ARG  27  -2.979   2.504   8.114
  186   1HG   ARG  27          HG2       ARG  27  -4.293   2.480  10.931
  187   2HG   ARG  27          HG3       ARG  27  -3.053   3.597  10.308
  188   1HD   ARG  27          HD3       ARG  27  -4.980   4.831  10.209
  189   2HD   ARG  27          HD2       ARG  27  -4.717   4.319   8.479
  190    HE   ARG  27           HE       ARG  27  -6.528   2.491   9.976
  191   1HH1  ARG  27          HH1       ARG  27  -6.412   5.713   8.806
  192   2HH1  ARG  27          HH1       ARG  27  -8.117   5.800   8.526
  193   1HH2  ARG  27          HH2       ARG  27  -8.787   2.618   9.182
  194   2HH2  ARG  27          HH2       ARG  27  -9.365   4.220   8.763
  195    H    LYS  28           HN       LYS  28  -5.326  -1.432   7.621
  196    HA   LYS  28           HA       LYS  28  -3.166  -1.904   5.676
  197   1HB   LYS  28          HB2       LYS  28  -4.224  -3.871   7.798
  198   2HB   LYS  28          HB3       LYS  28  -3.339  -4.432   6.352
  199   1HG   LYS  28          HG3       LYS  28  -2.207  -2.668   8.590
  200   2HG   LYS  28          HG2       LYS  28  -1.894  -4.405   8.291
  201   1HD   LYS  28          HD2       LYS  28  -1.119  -2.100   6.396
  202   2HD   LYS  28          HD3       LYS  28  -0.006  -2.939   7.518
  203   1HE   LYS  28          HE3       LYS  28  -0.058  -5.000   6.269
  204   2HE   LYS  28          HE2       LYS  28  -1.488  -4.489   5.292
  205   1HZ   LYS  28          HZ1       LYS  28   1.179  -3.205   5.199
  206   2HZ   LYS  28          HZ2       LYS  28   0.515  -4.268   4.052
  207   3HZ   LYS  28          HZ3       LYS  28  -0.195  -2.746   4.309
  208    H    CYS  29           HN       CYS  29  -3.848  -2.547   3.747
  209    HA   CYS  29           HA       CYS  29  -6.610  -2.701   3.047
  210   1HB   CYS  29          HB2       CYS  29  -3.918  -3.089   1.589
  211   2HB   CYS  29          HB3       CYS  29  -5.430  -3.630   0.798
  212    H    LYS  30           HN       LYS  30  -7.690  -4.451   4.071
  213    HA   LYS  30           HA       LYS  30  -6.673  -7.166   3.503
  214   1HB   LYS  30          HB2       LYS  30  -9.148  -6.187   5.038
  215   2HB   LYS  30          HB3       LYS  30  -8.610  -7.896   4.895
  216   1HG   LYS  30          HG3       LYS  30  -7.105  -5.570   6.248
  217   2HG   LYS  30          HG2       LYS  30  -8.006  -6.897   7.066
  218   1HD   LYS  30          HD3       LYS  30  -6.387  -8.573   6.135
  219   2HD   LYS  30          HD2       LYS  30  -5.468  -7.237   5.348
  220   1HE   LYS  30          HE3       LYS  30  -4.999  -6.216   7.586
  221   2HE   LYS  30          HE2       LYS  30  -5.848  -7.604   8.387
  222   1HZ   LYS  30          HZ1       LYS  30  -4.278  -9.084   7.326
  223   2HZ   LYS  30          HZ2       LYS  30  -3.492  -7.775   6.580
  224   3HZ   LYS  30          HZ3       LYS  30  -3.484  -7.918   8.272
  225    H    CYS  31           HN       CYS  31  -6.736  -7.003   1.271
  226    HA   CYS  31           HA       CYS  31  -9.004  -6.327  -0.333
  227   1HB   CYS  31          HB3       CYS  31  -6.600  -5.865  -1.001
  228   2HB   CYS  31          HB2       CYS  31  -6.339  -7.600  -1.173
  229    H    ASN  32           HN       ASN  32 -10.056  -7.610  -1.991
  230    HA   ASN  32           HA       ASN  32 -10.161 -10.532  -1.550
  231   1HB   ASN  32          HB2       ASN  32 -11.858  -9.340  -0.028
  232   2HB   ASN  32          HB3       ASN  32 -12.637  -8.628  -1.478
  233   1HD2  ASN  32          HD2       ASN  32 -14.628  -9.841  -0.535
  234   2HD2  ASN  32          HD2       ASN  32 -14.809 -11.400  -1.323
  235    H    ARG  33           HN       ARG  33 -12.049 -11.244  -3.249
  236    HA   ARG  33           HA       ARG  33 -11.289 -10.322  -5.963
  237   1HB   ARG  33          HB2       ARG  33 -12.165 -12.716  -6.574
  238   2HB   ARG  33          HB3       ARG  33 -10.737 -12.573  -5.569
  239   1HG   ARG  33          HG2       ARG  33 -11.896 -14.380  -4.720
  240   2HG   ARG  33          HG3       ARG  33 -11.837 -13.132  -3.468
  241   1HD   ARG  33          HD2       ARG  33 -14.361 -14.145  -5.002
  242   2HD   ARG  33          HD3       ARG  33 -13.814 -14.471  -3.317
  243    HE   ARG  33           HE       ARG  33 -14.238 -11.549  -3.821
  244   1HH1  ARG  33          HH1       ARG  33 -15.921 -14.537  -2.816
  245   2HH1  ARG  33          HH1       ARG  33 -17.347 -13.634  -2.441
  246   1HH2  ARG  33          HH2       ARG  33 -16.077 -10.607  -3.414
  247   2HH2  ARG  33          HH2       ARG  33 -17.470 -11.475  -2.805
  248    H    CYS  34           HN       CYS  34 -13.320 -10.447  -7.596
  249    HA   CYS  34           HA       CYS  34 -15.785  -9.566  -6.227
  250   1HB   CYS  34          HB2       CYS  34 -16.354  -9.050  -8.781
  251   2HB   CYS  34          HB3       CYS  34 -15.398  -7.935  -7.781
  252   1HN   NH2  35          HT1       CYS  34 -15.877 -12.090  -5.528
  253   2HN   NH2  35          HT2       CYS  34 -16.681 -13.068  -6.724
  Start of MODEL    2
    1   2H    ALA   1          HN2       ALA   1   0.686  -2.485   2.569
    2    H    ALA   1           HN       ALA   1  -0.833  -3.115   2.170
    3   3H    ALA   1          HN3       ALA   1   0.401  -3.061   0.998
    4    HA   ALA   1           HA       ALA   1   0.333  -0.673   0.984
    5   1HB   ALA   1          HB1       ALA   1  -1.909  -0.507  -0.198
    6   2HB   ALA   1          HB2       ALA   1  -1.120  -2.053  -0.599
    7   3HB   ALA   1          HB3       ALA   1  -2.463  -2.021   0.596
    8    H    SER   2           HN       SER   2  -0.890   1.384   1.555
    9    HA   SER   2           HA       SER   2  -1.817   1.352   4.320
   10   1HB   SER   2          HB3       SER   2  -1.309   3.885   4.077
   11   2HB   SER   2          HB2       SER   2   0.083   2.779   3.896
   12    HG   SER   2           HG       SER   2  -1.280   4.225   1.917
   13    H    CYS   3           HN       CYS   3  -3.779   2.370   4.923
   14    HA   CYS   3           HA       CYS   3  -5.508   3.624   3.017
   15   1HB   CYS   3          HB2       CYS   3  -7.488   2.072   3.426
   16   2HB   CYS   3          HB3       CYS   3  -6.151   1.317   2.532
   17    H    ARG   4           HN       ARG   4  -7.206   4.767   4.141
   18    HA   ARG   4           HA       ARG   4  -6.806   5.082   7.074
   19   1HB   ARG   4          HB2       ARG   4  -7.895   7.052   4.971
   20   2HB   ARG   4          HB3       ARG   4  -7.955   7.342   6.742
   21   1HG   ARG   4          HG3       ARG   4  -5.331   7.025   5.161
   22   2HG   ARG   4          HG2       ARG   4  -6.201   8.527   5.605
   23   1HD   ARG   4          HD2       ARG   4  -4.557   8.431   7.234
   24   2HD   ARG   4          HD3       ARG   4  -6.030   7.797   8.090
   25    HE   ARG   4           HE       ARG   4  -4.607   5.523   6.995
   26   1HH1  ARG   4          HH2       ARG   4  -4.328   7.858   9.666
   27   2HH1  ARG   4          HH2       ARG   4  -3.184   6.832  10.480
   28   1HH2  ARG   4          HH1       ARG   4  -2.890   4.552   7.998
   29   2HH2  ARG   4          HH1       ARG   4  -2.470   5.056   9.631
   30    H    THR   5           HN       THR   5  -9.393   5.232   4.525
   31    HA   THR   5           HA       THR   5 -11.158   3.667   6.271
   32    HB   THR   5           HB       THR   5 -13.061   4.708   4.994
   33    HG1  THR   5           HG1      THR   5 -12.403   6.800   4.068
   34   1HG2  THR   5          HG2       THR   5 -11.191   6.700   6.473
   35   2HG2  THR   5          HG2       THR   5 -12.957   6.899   6.218
   36   3HG2  THR   5          HG2       THR   5 -12.349   5.576   7.270
   37    HA   PRO   6           HA       PRO   6 -10.852   0.507   3.119
   38   1HB   PRO   6          HB3       PRO   6 -13.947   0.607   2.987
   39   2HB   PRO   6          HB2       PRO   6 -12.874  -0.837   3.038
   40   1HG   PRO   6          HG3       PRO   6 -14.052   0.021   5.342
   41   2HG   PRO   6          HG2       PRO   6 -12.255  -0.239   5.389
   42   1HD   PRO   6          HD2       PRO   6 -13.706   2.424   4.906
   43   2HD   PRO   6          HD3       PRO   6 -12.422   1.993   6.142
   44    H    LYS   7           HN       LYS   7 -12.795   3.296   2.065
   45    HA   LYS   7           HA       LYS   7 -12.983   2.629  -0.707
   46   1HB   LYS   7          HB3       LYS   7 -13.417   5.298   0.718
   47   2HB   LYS   7          HB2       LYS   7 -13.893   4.894  -0.969
   48   1HG   LYS   7          HG3       LYS   7 -15.358   3.057  -0.127
   49   2HG   LYS   7          HG2       LYS   7 -14.973   3.516   1.565
   50   1HD   LYS   7          HD3       LYS   7 -15.848   5.831   1.114
   51   2HD   LYS   7          HD2       LYS   7 -16.341   5.306  -0.534
   52   1HE   LYS   7          HE3       LYS   7 -17.377   4.083   2.127
   53   2HE   LYS   7          HE2       LYS   7 -18.263   5.287   1.103
   54   1HZ   LYS   7          HZ1       LYS   7 -18.241   3.703  -0.694
   55   2HZ   LYS   7          HZ2       LYS   7 -17.405   2.572   0.259
   56   3HZ   LYS   7          HZ3       LYS   7 -18.976   3.052   0.691
   57    H    ASP   8           HN       ASP   8 -10.173   3.501   1.081
   58    HA   ASP   8           HA       ASP   8  -8.921   4.921  -1.160
   59   1HB   ASP   8          HB2       ASP   8  -7.930   4.318   1.707
   60   2HB   ASP   8          HB3       ASP   8  -7.027   5.263   0.453
   61    H    CYS   9           HN       CYS   9  -9.477   1.602  -0.228
   62    HA   CYS   9           HA       CYS   9  -6.854   0.803  -1.296
   63   1HB   CYS   9          HB3       CYS   9  -7.879  -0.031   0.980
   64   2HB   CYS   9          HB2       CYS   9  -8.753  -1.195  -0.010
   65    H    ALA  10           HN       ALA  10  -9.785   1.589  -2.537
   66    HA   ALA  10           HA       ALA  10 -10.400  -0.345  -4.364
   67   1HB   ALA  10          HB1       ALA  10 -11.859   1.579  -3.753
   68   2HB   ALA  10          HB2       ALA  10 -10.763   2.707  -4.604
   69   3HB   ALA  10          HB3       ALA  10 -11.703   1.477  -5.530
   70    H    ASP  11           HN       ASP  11  -8.055   2.345  -4.861
   71    HA   ASP  11           HA       ASP  11  -7.427   1.510  -7.566
   72   1HB   ASP  11          HB2       ASP  11  -7.371   4.074  -6.715
   73   2HB   ASP  11          HB3       ASP  11  -5.992   3.635  -5.752
   74    HA   PRO  12           HA       PRO  12  -3.487  -0.522  -5.562
   75   1HB   PRO  12          HB3       PRO  12  -4.608  -0.967  -2.700
   76   2HB   PRO  12          HB2       PRO  12  -2.893  -0.733  -3.220
   77   1HG   PRO  12          HG2       PRO  12  -4.448   1.229  -2.059
   78   2HG   PRO  12          HG3       PRO  12  -3.277   1.641  -3.396
   79   1HD   PRO  12          HD2       PRO  12  -6.305   1.310  -3.541
   80   2HD   PRO  12          HD3       PRO  12  -5.179   2.495  -4.316
   81    H    CYS  13           HN       CYS  13  -6.799  -1.470  -4.335
   82    HA   CYS  13           HA       CYS  13  -6.261  -4.268  -4.665
   83   1HB   CYS  13          HB2       CYS  13  -7.669  -3.471  -2.852
   84   2HB   CYS  13          HB3       CYS  13  -8.894  -2.925  -4.024
   85    H    ARG  14           HN       ARG  14  -7.645  -1.779  -6.772
   86    HA   ARG  14           HA       ARG  14  -8.433  -3.611  -8.879
   87   1HB   ARG  14          HB3       ARG  14  -9.404  -1.444  -8.637
   88   2HB   ARG  14          HB2       ARG  14  -7.831  -0.583  -8.781
   89   1HG   ARG  14          HG3       ARG  14  -7.653  -1.302 -11.168
   90   2HG   ARG  14          HG2       ARG  14  -9.161  -2.250 -10.980
   91   1HD   ARG  14          HD3       ARG  14  -8.865   0.828 -11.198
   92   2HD   ARG  14          HD2       ARG  14  -9.971  -0.271 -12.123
   93    HE   ARG  14           HE       ARG  14 -10.713  -0.593  -9.419
   94   1HH1  ARG  14          HH1       ARG  14 -10.902   2.161 -11.500
   95   2HH1  ARG  14          HH1       ARG  14 -11.521   3.195 -10.253
   96   1HH2  ARG  14          HH2       ARG  14 -11.091   0.687  -7.835
   97   2HH2  ARG  14          HH2       ARG  14 -11.621   2.321  -8.108
   98    H    LYS  15           HN       LYS  15  -5.405  -2.622  -7.769
   99    HA   LYS  15           HA       LYS  15  -4.111  -3.294 -10.292
  100   1HB   LYS  15          HB2       LYS  15  -3.423  -1.247  -9.161
  101   2HB   LYS  15          HB3       LYS  15  -2.966  -2.137  -7.685
  102   1HG   LYS  15          HG3       LYS  15  -1.044  -1.429  -9.052
  103   2HG   LYS  15          HG2       LYS  15  -1.062  -3.220  -8.899
  104   1HD   LYS  15          HD3       LYS  15  -1.968  -3.353 -11.235
  105   2HD   LYS  15          HD2       LYS  15  -2.089  -1.551 -11.261
  106   1HE   LYS  15          HE3       LYS  15  -0.097  -2.305 -12.542
  107   2HE   LYS  15          HE2       LYS  15   0.396  -1.347 -11.086
  108   1HZ   LYS  15          HZ1       LYS  15   0.361  -4.311 -11.315
  109   2HZ   LYS  15          HZ2       LYS  15   1.728  -3.304 -11.377
  110   3HZ   LYS  15          HZ3       LYS  15   0.821  -3.419  -9.946
  111    H    GLU  16           HN       GLU  16  -4.202  -4.431  -6.801
  112    HA   GLU  16           HA       GLU  16  -2.476  -6.712  -7.415
  113   1HB   GLU  16          HB2       GLU  16  -2.335  -7.261  -5.001
  114   2HB   GLU  16          HB3       GLU  16  -1.925  -5.554  -5.280
  115   1HG   GLU  16          HG3       GLU  16  -4.434  -5.094  -4.758
  116   2HG   GLU  16          HG2       GLU  16  -4.525  -6.759  -4.108
  117    H    THR  17           HN       THR  17  -5.981  -6.434  -6.455
  118    HA   THR  17           HA       THR  17  -6.159  -9.345  -7.035
  119    HB   THR  17           HB       THR  17  -8.113  -9.692  -5.988
  120    HG1  THR  17           HG1      THR  17  -9.411  -8.083  -5.044
  121   1HG2  THR  17          HG2       THR  17  -6.116  -9.223  -4.455
  122   2HG2  THR  17          HG2       THR  17  -6.740  -7.548  -4.232
  123   3HG2  THR  17          HG2       THR  17  -7.708  -8.945  -3.666
  124    H    GLY  18           HN       GLY  18  -7.333  -6.151  -7.963
  125   1HA   GLY  18          HA1       GLY  18  -7.616  -5.527 -10.188
  126   2HA   GLY  18          HA2       GLY  18  -8.201  -7.141 -10.614
  127    H    CYS  19           HN       CYS  19  -9.514  -6.355  -7.632
  128    HA   CYS  19           HA       CYS  19 -11.961  -5.166  -8.867
  129   1HB   CYS  19          HB2       CYS  19 -11.699  -7.620  -7.091
  130   2HB   CYS  19          HB3       CYS  19 -13.254  -6.780  -7.343
  131    HA   PRO  20           HA       PRO  20 -11.045  -2.770  -5.105
  132   1HB   PRO  20          HB3       PRO  20 -13.021  -0.750  -5.375
  133   2HB   PRO  20          HB2       PRO  20 -11.696  -0.951  -6.579
  134   1HG   PRO  20          HG3       PRO  20 -14.378  -2.109  -6.703
  135   2HG   PRO  20          HG2       PRO  20 -13.669  -1.004  -7.933
  136   1HD   PRO  20          HD3       PRO  20 -13.502  -3.718  -8.291
  137   2HD   PRO  20          HD2       PRO  20 -11.992  -2.709  -8.540
  138    H    TYR  21           HN       TYR  21 -12.286  -5.189  -4.330
  139    HA   TYR  21           HA       TYR  21 -14.535  -4.441  -2.524
  140   1HB   TYR  21          HB3       TYR  21 -13.553  -7.307  -3.512
  141   2HB   TYR  21          HB2       TYR  21 -14.664  -7.040  -2.171
  142    HD1  TYR  21           HD1      TYR  21 -15.429  -4.634  -4.959
  143    HD2  TYR  21           HD2      TYR  21 -15.904  -8.615  -3.343
  144    HE1  TYR  21           HE1      TYR  21 -17.318  -5.059  -6.471
  145    HE2  TYR  21           HE2      TYR  21 -17.765  -9.005  -4.794
  146    HH   TYR  21           HH       TYR  21 -18.952  -8.236  -6.553
  147    H    GLY  22           HN       GLY  22 -13.155  -3.351  -0.803
  148   1HA   GLY  22          HA1       GLY  22 -11.835  -5.523   0.775
  149   2HA   GLY  22          HA2       GLY  22 -10.843  -4.079   0.281
  150    H    LYS  23           HN       LYS  23 -10.854  -4.925   2.826
  151    HA   LYS  23           HA       LYS  23 -12.415  -2.923   4.303
  152   1HB   LYS  23          HB2       LYS  23 -13.079  -5.334   4.737
  153   2HB   LYS  23          HB3       LYS  23 -11.393  -5.717   5.210
  154   1HG   LYS  23          HG2       LYS  23 -11.692  -4.107   7.206
  155   2HG   LYS  23          HG3       LYS  23 -13.340  -3.739   6.592
  156   1HD   LYS  23          HD3       LYS  23 -13.904  -6.196   6.800
  157   2HD   LYS  23          HD2       LYS  23 -12.319  -6.463   7.605
  158   1HE   LYS  23          HE2       LYS  23 -14.586  -4.581   8.595
  159   2HE   LYS  23          HE3       LYS  23 -14.246  -6.244   9.226
  160   1HZ   LYS  23          HZ1       LYS  23 -12.077  -5.483   9.909
  161   2HZ   LYS  23          HZ2       LYS  23 -12.393  -3.923   9.318
  162   3HZ   LYS  23          HZ3       LYS  23 -13.308  -4.545  10.607
  163    H    CYS  24           HN       CYS  24 -11.254  -1.948   6.015
  164    HA   CYS  24           HA       CYS  24  -8.308  -2.100   5.906
  165   1HB   CYS  24          HB2       CYS  24  -9.185  -0.153   4.579
  166   2HB   CYS  24          HB3       CYS  24 -10.112   0.392   5.980
  167    H    MET  25           HN       MET  25  -7.365  -1.992   7.945
  168    HA   MET  25           HA       MET  25  -9.160  -1.695  10.290
  169   1HB   MET  25          HB3       MET  25  -7.191  -4.036   9.738
  170   2HB   MET  25          HB2       MET  25  -8.043  -3.822  11.299
  171   1HG   MET  25          HG2       MET  25 -10.193  -4.328  10.324
  172   2HG   MET  25          HG3       MET  25  -9.532  -4.409   8.671
  173   1HE   MET  25          HE1       MET  25  -6.717  -6.023   8.967
  174   2HE   MET  25          HE2       MET  25  -7.435  -7.578   8.449
  175   3HE   MET  25          HE3       MET  25  -7.997  -6.037   7.708
  176    H    ASN  26           HN       ASN  26  -7.590   0.138   9.311
  177    HA   ASN  26           HA       ASN  26  -6.323   1.806  10.059
  178   1HB   ASN  26          HB2       ASN  26  -7.008   1.203  12.397
  179   2HB   ASN  26          HB3       ASN  26  -5.494   0.266  12.568
  180   1HD2  ASN  26          HD2       ASN  26  -6.559   3.663  11.578
  181   2HD2  ASN  26          HD2       ASN  26  -5.260   4.402  12.475
  182    H    ARG  27           HN       ARG  27  -4.656   1.979   8.406
  183    HA   ARG  27           HA       ARG  27  -2.793   2.012   7.498
  184   1HB   ARG  27          HB3       ARG  27  -1.005   0.716   9.536
  185   2HB   ARG  27          HB2       ARG  27  -0.840   2.157   8.471
  186   1HG   ARG  27          HG3       ARG  27  -2.781   3.086  10.136
  187   2HG   ARG  27          HG2       ARG  27  -2.198   1.780  11.197
  188   1HD   ARG  27          HD2       ARG  27   0.034   2.854  11.398
  189   2HD   ARG  27          HD3       ARG  27  -0.441   4.094  10.149
  190    HE   ARG  27           HE       ARG  27  -2.295   3.689  12.465
  191   1HH1  ARG  27          HH1       ARG  27   0.306   5.756  11.300
  192   2HH1  ARG  27          HH1       ARG  27  -0.239   7.116  12.200
  193   1HH2  ARG  27          HH2       ARG  27  -2.780   5.351  13.723
  194   2HH2  ARG  27          HH2       ARG  27  -2.032   6.888  13.549
  195    H    LYS  28           HN       LYS  28  -4.265  -0.840   7.759
  196    HA   LYS  28           HA       LYS  28  -2.599  -2.112   5.706
  197   1HB   LYS  28          HB3       LYS  28  -2.012  -2.952   8.092
  198   2HB   LYS  28          HB2       LYS  28  -3.659  -3.636   8.177
  199   1HG   LYS  28          HG3       LYS  28  -2.963  -4.989   5.988
  200   2HG   LYS  28          HG2       LYS  28  -1.331  -4.275   6.219
  201   1HD   LYS  28          HD2       LYS  28  -1.233  -6.458   7.171
  202   2HD   LYS  28          HD3       LYS  28  -1.285  -5.311   8.554
  203   1HE   LYS  28          HE2       LYS  28  -2.732  -7.268   9.020
  204   2HE   LYS  28          HE3       LYS  28  -3.806  -5.836   8.777
  205   1HZ   LYS  28          HZ1       LYS  28  -3.129  -7.905   6.746
  206   2HZ   LYS  28          HZ2       LYS  28  -4.587  -7.765   7.608
  207   3HZ   LYS  28          HZ3       LYS  28  -4.137  -6.560   6.500
  208    H    CYS  29           HN       CYS  29  -3.801  -3.096   4.132
  209    HA   CYS  29           HA       CYS  29  -6.727  -3.064   4.277
  210   1HB   CYS  29          HB2       CYS  29  -4.894  -3.735   1.862
  211   2HB   CYS  29          HB3       CYS  29  -6.679  -3.578   1.832
  212    H    LYS  30           HN       LYS  30  -7.962  -4.906   3.962
  213    HA   LYS  30           HA       LYS  30  -6.669  -7.528   3.470
  214   1HB   LYS  30          HB3       LYS  30  -7.428  -7.436   5.836
  215   2HB   LYS  30          HB2       LYS  30  -9.044  -6.862   5.322
  216   1HG   LYS  30          HG2       LYS  30  -9.451  -9.096   4.201
  217   2HG   LYS  30          HG3       LYS  30  -7.765  -9.591   4.596
  218   1HD   LYS  30          HD3       LYS  30  -9.327 -10.620   6.176
  219   2HD   LYS  30          HD2       LYS  30  -8.257  -9.461   7.028
  220   1HE   LYS  30          HE2       LYS  30 -10.124  -7.768   7.102
  221   2HE   LYS  30          HE3       LYS  30 -11.184  -8.904   6.171
  222   1HZ   LYS  30          HZ1       LYS  30 -10.982 -10.470   7.969
  223   2HZ   LYS  30          HZ2       LYS  30  -9.985  -9.405   8.838
  224   3HZ   LYS  30          HZ3       LYS  30 -11.596  -8.982   8.509
  225    H    CYS  31           HN       CYS  31  -7.129  -7.640   1.215
  226    HA   CYS  31           HA       CYS  31  -9.766  -6.585   0.398
  227   1HB   CYS  31          HB2       CYS  31  -7.477  -5.671  -0.522
  228   2HB   CYS  31          HB3       CYS  31  -7.562  -7.064  -1.623
  229    H    ASN  32           HN       ASN  32 -10.692  -7.538  -1.625
  230    HA   ASN  32           HA       ASN  32 -10.694 -10.491  -1.567
  231   1HB   ASN  32          HB2       ASN  32 -12.594  -9.447  -0.128
  232   2HB   ASN  32          HB3       ASN  32 -13.208  -8.595  -1.581
  233   1HD2  ASN  32          HD2       ASN  32 -12.138 -12.034  -0.877
  234   2HD2  ASN  32          HD2       ASN  32 -13.629 -12.662  -1.565
  235    H    ARG  33           HN       ARG  33 -12.566 -10.878  -3.653
  236    HA   ARG  33           HA       ARG  33 -11.536  -9.382  -5.961
  237   1HB   ARG  33          HB2       ARG  33 -11.265 -11.353  -7.228
  238   2HB   ARG  33          HB3       ARG  33 -10.632 -11.798  -5.636
  239   1HG   ARG  33          HG2       ARG  33 -13.396 -12.640  -6.795
  240   2HG   ARG  33          HG3       ARG  33 -11.889 -13.565  -6.665
  241   1HD   ARG  33          HD2       ARG  33 -13.046 -14.454  -4.994
  242   2HD   ARG  33          HD3       ARG  33 -12.056 -13.261  -4.063
  243    HE   ARG  33           HE       ARG  33 -14.289 -11.699  -4.295
  244   1HH1  ARG  33          HH1       ARG  33 -14.330 -15.321  -3.900
  245   2HH1  ARG  33          HH1       ARG  33 -15.731 -15.229  -2.908
  246   1HH2  ARG  33          HH2       ARG  33 -15.871 -11.851  -2.737
  247   2HH2  ARG  33          HH2       ARG  33 -16.581 -13.378  -2.261
  248    H    CYS  34           HN       CYS  34 -13.249  -9.521  -7.802
  249    HA   CYS  34           HA       CYS  34 -15.982  -9.421  -6.751
  250   1HB   CYS  34          HB3       CYS  34 -16.569  -7.994  -8.593
  251   2HB   CYS  34          HB2       CYS  34 -15.340  -7.282  -7.533
  252   1HN   NH2  35          HT1       CYS  34 -15.635 -11.879  -6.874
  253   2HN   NH2  35          HT2       CYS  34 -16.155 -12.588  -8.384
  Start of MODEL    3
    1   2H    ALA   1          HN2       ALA   1   0.756  -2.617   1.935
    2    H    ALA   1           HN       ALA   1  -0.837  -3.123   1.761
    3   3H    ALA   1          HN3       ALA   1   0.199  -3.107   0.394
    4    HA   ALA   1           HA       ALA   1   0.340  -0.622   0.730
    5   1HB   ALA   1          HB1       ALA   1  -1.230  -1.699  -0.988
    6   2HB   ALA   1          HB2       ALA   1  -2.524  -1.823   0.262
    7   3HB   ALA   1          HB3       ALA   1  -1.959  -0.219  -0.310
    8    H    SER   2           HN       SER   2  -1.274   1.296   1.693
    9    HA   SER   2           HA       SER   2  -2.378   0.458   4.265
   10   1HB   SER   2          HB3       SER   2   0.010   1.353   4.621
   11   2HB   SER   2          HB2       SER   2  -0.574   2.953   4.074
   12    HG   SER   2           HG       SER   2  -1.744   1.383   6.203
   13    H    CYS   3           HN       CYS   3  -3.756   2.240   5.176
   14    HA   CYS   3           HA       CYS   3  -5.056   4.029   3.310
   15   1HB   CYS   3          HB2       CYS   3  -7.355   2.750   3.523
   16   2HB   CYS   3          HB3       CYS   3  -6.085   2.047   2.517
   17    H    ARG   4           HN       ARG   4  -7.295   4.696   4.570
   18    HA   ARG   4           HA       ARG   4  -6.763   4.999   7.472
   19   1HB   ARG   4          HB2       ARG   4  -7.867   7.227   5.610
   20   2HB   ARG   4          HB3       ARG   4  -7.834   7.286   7.398
   21   1HG   ARG   4          HG3       ARG   4  -5.402   7.397   5.519
   22   2HG   ARG   4          HG2       ARG   4  -6.194   8.684   6.466
   23   1HD   ARG   4          HD3       ARG   4  -4.466   8.315   7.917
   24   2HD   ARG   4          HD2       ARG   4  -5.578   7.064   8.578
   25    HE   ARG   4           HE       ARG   4  -4.395   5.376   7.012
   26   1HH1  ARG   4          HH2       ARG   4  -2.553   8.381   7.569
   27   2HH1  ARG   4          HH2       ARG   4  -1.091   7.598   7.119
   28   1HH2  ARG   4          HH1       ARG   4  -2.631   4.526   6.555
   29   2HH2  ARG   4          HH1       ARG   4  -1.107   5.296   6.788
   30    H    THR   5           HN       THR   5  -9.210   5.445   4.813
   31    HA   THR   5           HA       THR   5 -11.182   3.924   6.361
   32    HB   THR   5           HB       THR   5 -12.901   5.091   4.957
   33    HG1  THR   5           HG1      THR   5 -12.058   7.144   4.102
   34   1HG2  THR   5          HG2       THR   5 -12.303   5.905   7.280
   35   2HG2  THR   5          HG2       THR   5 -11.056   6.994   6.582
   36   3HG2  THR   5          HG2       THR   5 -12.789   7.259   6.204
   37    HA   PRO   6           HA       PRO   6 -10.553   0.957   3.134
   38   1HB   PRO   6          HB2       PRO   6 -13.472   0.315   2.771
   39   2HB   PRO   6          HB3       PRO   6 -12.136  -0.678   3.412
   40   1HG   PRO   6          HG3       PRO   6 -14.098   0.380   5.058
   41   2HG   PRO   6          HG2       PRO   6 -12.382   0.233   5.600
   42   1HD   PRO   6          HD3       PRO   6 -13.739   2.736   4.465
   43   2HD   PRO   6          HD2       PRO   6 -12.734   2.517   5.976
   44    H    LYS   7           HN       LYS   7 -12.476   3.696   2.137
   45    HA   LYS   7           HA       LYS   7 -12.656   3.099  -0.666
   46   1HB   LYS   7          HB3       LYS   7 -13.037   5.788   0.757
   47   2HB   LYS   7          HB2       LYS   7 -13.606   5.331  -0.881
   48   1HG   LYS   7          HG3       LYS   7 -14.572   4.176   1.815
   49   2HG   LYS   7          HG2       LYS   7 -15.430   5.371   0.801
   50   1HD   LYS   7          HD3       LYS   7 -14.804   2.461  -0.046
   51   2HD   LYS   7          HD2       LYS   7 -16.340   3.028   0.671
   52   1HE   LYS   7          HE3       LYS   7 -15.218   4.007  -2.040
   53   2HE   LYS   7          HE2       LYS   7 -16.520   2.776  -1.798
   54   1HZ   LYS   7          HZ1       LYS   7 -17.408   4.942  -2.240
   55   2HZ   LYS   7          HZ2       LYS   7 -17.831   4.435  -0.676
   56   3HZ   LYS   7          HZ3       LYS   7 -16.615   5.602  -0.890
   57    H    ASP   8           HN       ASP   8  -9.889   3.960   1.246
   58    HA   ASP   8           HA       ASP   8  -8.623   5.531  -0.856
   59   1HB   ASP   8          HB3       ASP   8  -7.474   4.608   1.858
   60   2HB   ASP   8          HB2       ASP   8  -6.781   5.833   0.729
   61    H    CYS   9           HN       CYS   9  -9.008   2.089  -0.253
   62    HA   CYS   9           HA       CYS   9  -6.345   1.598  -1.484
   63   1HB   CYS   9          HB3       CYS   9  -7.015   0.861   0.972
   64   2HB   CYS   9          HB2       CYS   9  -7.770  -0.527   0.185
   65    H    ALA  10           HN       ALA  10  -9.326   1.924  -2.500
   66    HA   ALA  10           HA       ALA  10 -10.221  -0.199  -3.939
   67   1HB   ALA  10          HB1       ALA  10 -11.452   1.861  -3.465
   68   2HB   ALA  10          HB2       ALA  10 -10.456   2.764  -4.651
   69   3HB   ALA  10          HB3       ALA  10 -11.541   1.425  -5.192
   70    H    ASP  11           HN       ASP  11  -7.769   2.189  -4.921
   71    HA   ASP  11           HA       ASP  11  -7.366   1.113  -7.577
   72   1HB   ASP  11          HB2       ASP  11  -5.788   3.330  -6.161
   73   2HB   ASP  11          HB3       ASP  11  -5.678   2.876  -7.907
   74    HA   PRO  12           HA       PRO  12  -3.360  -0.906  -5.695
   75   1HB   PRO  12          HB3       PRO  12  -4.325  -0.921  -2.741
   76   2HB   PRO  12          HB2       PRO  12  -2.628  -0.955  -3.352
   77   1HG   PRO  12          HG2       PRO  12  -3.857   1.311  -2.361
   78   2HG   PRO  12          HG3       PRO  12  -2.756   1.423  -3.815
   79   1HD   PRO  12          HD2       PRO  12  -5.783   1.493  -3.720
   80   2HD   PRO  12          HD3       PRO  12  -4.595   2.356  -4.786
   81    H    CYS  13           HN       CYS  13  -6.557  -1.480  -4.056
   82    HA   CYS  13           HA       CYS  13  -6.372  -4.305  -4.223
   83   1HB   CYS  13          HB3       CYS  13  -7.999  -2.850  -2.702
   84   2HB   CYS  13          HB2       CYS  13  -8.970  -2.756  -4.029
   85    H    ARG  14           HN       ARG  14  -8.098  -1.987  -6.524
   86    HA   ARG  14           HA       ARG  14  -8.808  -4.088  -8.411
   87   1HB   ARG  14          HB3       ARG  14 -10.121  -2.101  -8.180
   88   2HB   ARG  14          HB2       ARG  14  -8.736  -1.030  -8.592
   89   1HG   ARG  14          HG3       ARG  14  -8.644  -1.900 -10.880
   90   2HG   ARG  14          HG2       ARG  14  -9.896  -3.128 -10.481
   91   1HD   ARG  14          HD2       ARG  14 -10.537  -1.032 -11.962
   92   2HD   ARG  14          HD3       ARG  14 -11.724  -1.478 -10.677
   93    HE   ARG  14           HE       ARG  14  -9.970   0.240  -9.358
   94   1HH1  ARG  14          HH2       ARG  14 -12.232   0.504 -11.992
   95   2HH1  ARG  14          HH2       ARG  14 -12.343   2.229 -11.868
   96   1HH2  ARG  14          HH1       ARG  14  -9.850   2.440  -9.477
   97   2HH2  ARG  14          HH1       ARG  14 -11.000   3.321 -10.435
   98    H    LYS  15           HN       LYS  15  -5.819  -2.235  -7.905
   99    HA   LYS  15           HA       LYS  15  -4.862  -3.109 -10.517
  100   1HB   LYS  15          HB2       LYS  15  -3.678  -1.485  -8.266
  101   2HB   LYS  15          HB3       LYS  15  -2.533  -2.284  -9.379
  102   1HG   LYS  15          HG3       LYS  15  -2.900  -0.041 -10.117
  103   2HG   LYS  15          HG2       LYS  15  -3.419  -1.241 -11.356
  104   1HD   LYS  15          HD3       LYS  15  -5.829  -0.786 -10.653
  105   2HD   LYS  15          HD2       LYS  15  -5.177   0.396  -9.458
  106   1HE   LYS  15          HE3       LYS  15  -4.239   1.770 -11.335
  107   2HE   LYS  15          HE2       LYS  15  -5.006   0.630 -12.522
  108   1HZ   LYS  15          HZ1       LYS  15  -6.376   2.541 -12.064
  109   2HZ   LYS  15          HZ2       LYS  15  -7.135   1.126 -11.509
  110   3HZ   LYS  15          HZ3       LYS  15  -6.404   2.186 -10.402
  111    H    GLU  16           HN       GLU  16  -4.689  -4.400  -7.152
  112    HA   GLU  16           HA       GLU  16  -2.831  -6.495  -8.045
  113   1HB   GLU  16          HB3       GLU  16  -2.195  -7.073  -5.825
  114   2HB   GLU  16          HB2       GLU  16  -2.132  -5.306  -5.945
  115   1HG   GLU  16          HG2       GLU  16  -4.638  -5.544  -4.890
  116   2HG   GLU  16          HG3       GLU  16  -4.042  -7.175  -4.442
  117    H    THR  17           HN       THR  17  -6.258  -6.587  -6.567
  118    HA   THR  17           HA       THR  17  -6.185  -9.473  -7.279
  119    HB   THR  17           HB       THR  17  -8.367  -9.745  -6.270
  120    HG1  THR  17           HG1      THR  17  -9.326  -8.112  -5.145
  121   1HG2  THR  17          HG2       THR  17  -7.594  -9.270  -3.888
  122   2HG2  THR  17          HG2       THR  17  -6.349 -10.086  -4.899
  123   3HG2  THR  17          HG2       THR  17  -6.219  -8.335  -4.540
  124    H    GLY  18           HN       GLY  18  -7.509  -6.460  -8.215
  125   1HA   GLY  18          HA1       GLY  18  -8.040  -5.884 -10.448
  126   2HA   GLY  18          HA2       GLY  18  -8.672  -7.491 -10.723
  127    H    CYS  19           HN       CYS  19  -9.724  -6.895  -7.827
  128    HA   CYS  19           HA       CYS  19 -12.398  -5.933  -8.733
  129   1HB   CYS  19          HB2       CYS  19 -11.529  -7.923  -6.551
  130   2HB   CYS  19          HB3       CYS  19 -13.215  -7.380  -6.805
  131    HA   PRO  20           HA       PRO  20 -11.088  -2.649  -5.850
  132   1HB   PRO  20          HB3       PRO  20 -13.155  -0.830  -6.086
  133   2HB   PRO  20          HB2       PRO  20 -12.137  -1.300  -7.479
  134   1HG   PRO  20          HG3       PRO  20 -14.729  -2.455  -6.823
  135   2HG   PRO  20          HG2       PRO  20 -14.245  -1.717  -8.398
  136   1HD   PRO  20          HD2       PRO  20 -14.082  -4.466  -8.015
  137   2HD   PRO  20          HD3       PRO  20 -12.751  -3.576  -8.897
  138    H    TYR  21           HN       TYR  21 -12.071  -4.965  -4.240
  139    HA   TYR  21           HA       TYR  21 -13.769  -3.606  -2.183
  140   1HB   TYR  21          HB3       TYR  21 -13.503  -6.597  -2.808
  141   2HB   TYR  21          HB2       TYR  21 -14.630  -5.868  -1.597
  142    HD1  TYR  21           HD1      TYR  21 -15.164  -7.856  -3.539
  143    HD2  TYR  21           HD2      TYR  21 -15.643  -3.597  -3.922
  144    HE1  TYR  21           HE1      TYR  21 -16.954  -8.228  -5.149
  145    HE2  TYR  21           HE2      TYR  21 -17.407  -3.971  -5.609
  146    HH   TYR  21           HH       TYR  21 -18.536  -7.261  -6.424
  147    H    GLY  22           HN       GLY  22 -12.197  -2.812  -0.828
  148   1HA   GLY  22          HA1       GLY  22 -10.443  -4.878   0.465
  149   2HA   GLY  22          HA2       GLY  22  -9.853  -3.225   0.121
  150    H    LYS  23           HN       LYS  23 -10.356  -4.820   2.726
  151    HA   LYS  23           HA       LYS  23 -12.182  -2.906   4.068
  152   1HB   LYS  23          HB2       LYS  23 -11.548  -5.820   4.866
  153   2HB   LYS  23          HB3       LYS  23 -12.598  -4.787   5.763
  154   1HG   LYS  23          HG3       LYS  23 -14.246  -4.536   3.992
  155   2HG   LYS  23          HG2       LYS  23 -13.382  -5.688   2.931
  156   1HD   LYS  23          HD3       LYS  23 -13.561  -7.451   4.667
  157   2HD   LYS  23          HD2       LYS  23 -14.496  -6.331   5.716
  158   1HE   LYS  23          HE2       LYS  23 -15.361  -7.228   2.876
  159   2HE   LYS  23          HE3       LYS  23 -15.995  -7.894   4.436
  160   1HZ   LYS  23          HZ1       LYS  23 -17.425  -6.207   3.529
  161   2HZ   LYS  23          HZ2       LYS  23 -16.769  -5.694   5.010
  162   3HZ   LYS  23          HZ3       LYS  23 -16.173  -5.058   3.551
  163    H    CYS  24           HN       CYS  24 -11.261  -1.576   5.367
  164    HA   CYS  24           HA       CYS  24  -8.401  -1.875   6.009
  165   1HB   CYS  24          HB2       CYS  24  -9.116  -0.132   4.420
  166   2HB   CYS  24          HB3       CYS  24 -10.136   0.608   5.669
  167    H    MET  25           HN       MET  25  -8.109  -2.590   7.951
  168    HA   MET  25           HA       MET  25  -9.420  -1.318  10.283
  169   1HB   MET  25          HB3       MET  25  -8.674  -4.276   9.844
  170   2HB   MET  25          HB2       MET  25  -8.973  -3.638  11.475
  171   1HG   MET  25          HG2       MET  25 -10.980  -3.790   9.185
  172   2HG   MET  25          HG3       MET  25 -10.941  -4.772  10.673
  173   1HE   MET  25          HE1       MET  25 -10.167  -2.338  12.896
  174   2HE   MET  25          HE2       MET  25 -11.847  -2.150  13.493
  175   3HE   MET  25          HE3       MET  25 -11.223  -3.784  13.103
  176    H    ASN  26           HN       ASN  26  -7.997  -0.277  11.499
  177    HA   ASN  26           HA       ASN  26  -6.190   0.683  12.181
  178   1HB   ASN  26          HB2       ASN  26  -6.175  -1.952  13.036
  179   2HB   ASN  26          HB3       ASN  26  -4.481  -1.820  12.483
  180   1HD2  ASN  26          HD2       ASN  26  -3.603   0.624  13.291
  181   2HD2  ASN  26          HD2       ASN  26  -3.951   0.872  14.990
  182    H    ARG  27           HN       ARG  27  -6.251   0.688   9.379
  183    HA   ARG  27           HA       ARG  27  -5.213   1.692   7.758
  184   1HB   ARG  27          HB2       ARG  27  -2.645   1.579   9.220
  185   2HB   ARG  27          HB3       ARG  27  -2.947   2.558   7.762
  186   1HG   ARG  27          HG3       ARG  27  -4.383   4.085   8.785
  187   2HG   ARG  27          HG2       ARG  27  -4.736   3.063  10.202
  188   1HD   ARG  27          HD3       ARG  27  -2.014   4.392   9.683
  189   2HD   ARG  27          HD2       ARG  27  -3.311   4.920  10.852
  190    HE   ARG  27           HE       ARG  27  -2.656   2.075  11.194
  191   1HH1  ARG  27          HH1       ARG  27  -1.403   5.269  11.908
  192   2HH1  ARG  27          HH1       ARG  27  -0.347   4.712  13.151
  193   1HH2  ARG  27          HH2       ARG  27  -1.168   1.376  12.597
  194   2HH2  ARG  27          HH2       ARG  27  -0.308   2.471  13.640
  195    H    LYS  28           HN       LYS  28  -5.202  -1.492   8.165
  196    HA   LYS  28           HA       LYS  28  -3.257  -2.091   5.979
  197   1HB   LYS  28          HB2       LYS  28  -4.465  -3.962   8.122
  198   2HB   LYS  28          HB3       LYS  28  -3.402  -4.485   6.800
  199   1HG   LYS  28          HG2       LYS  28  -1.497  -3.588   7.606
  200   2HG   LYS  28          HG3       LYS  28  -2.286  -2.302   8.578
  201   1HD   LYS  28          HD3       LYS  28  -2.559  -5.272   9.291
  202   2HD   LYS  28          HD2       LYS  28  -1.221  -4.227   9.894
  203   1HE   LYS  28          HE3       LYS  28  -2.776  -2.689  11.016
  204   2HE   LYS  28          HE2       LYS  28  -4.207  -3.589  10.379
  205   1HZ   LYS  28          HZ1       LYS  28  -3.466  -5.534  11.564
  206   2HZ   LYS  28          HZ2       LYS  28  -2.122  -4.695  12.180
  207   3HZ   LYS  28          HZ3       LYS  28  -3.694  -4.216  12.611
  208    H    CYS  29           HN       CYS  29  -4.102  -2.671   3.898
  209    HA   CYS  29           HA       CYS  29  -6.974  -2.852   3.684
  210   1HB   CYS  29          HB3       CYS  29  -5.370  -3.225   1.118
  211   2HB   CYS  29          HB2       CYS  29  -6.845  -2.375   1.551
  212    H    LYS  30           HN       LYS  30  -7.895  -4.797   4.119
  213    HA   LYS  30           HA       LYS  30  -6.665  -7.319   3.249
  214   1HB   LYS  30          HB3       LYS  30  -9.311  -6.719   4.742
  215   2HB   LYS  30          HB2       LYS  30  -8.580  -8.342   4.473
  216   1HG   LYS  30          HG2       LYS  30  -6.582  -7.633   5.764
  217   2HG   LYS  30          HG3       LYS  30  -7.280  -6.011   6.075
  218   1HD   LYS  30          HD2       LYS  30  -8.920  -8.441   6.930
  219   2HD   LYS  30          HD3       LYS  30  -7.397  -8.058   7.793
  220   1HE   LYS  30          HE3       LYS  30  -9.040  -6.974   9.090
  221   2HE   LYS  30          HE2       LYS  30  -8.231  -5.655   8.151
  222   1HZ   LYS  30          HZ1       LYS  30 -10.829  -6.965   7.517
  223   2HZ   LYS  30          HZ2       LYS  30 -10.608  -5.430   8.210
  224   3HZ   LYS  30          HZ3       LYS  30 -10.096  -5.725   6.618
  225    H    CYS  31           HN       CYS  31  -6.686  -7.290   1.015
  226    HA   CYS  31           HA       CYS  31  -8.893  -6.303  -0.532
  227   1HB   CYS  31          HB2       CYS  31  -6.603  -5.729  -1.067
  228   2HB   CYS  31          HB3       CYS  31  -6.197  -7.428  -1.410
  229    H    ASN  32           HN       ASN  32 -10.273  -7.348  -1.861
  230    HA   ASN  32           HA       ASN  32 -10.504 -10.277  -1.483
  231   1HB   ASN  32          HB3       ASN  32 -12.706  -8.079  -1.707
  232   2HB   ASN  32          HB2       ASN  32 -13.021  -9.779  -1.274
  233   1HD2  ASN  32          HD2       ASN  32 -11.932  -6.793   0.129
  234   2HD2  ASN  32          HD2       ASN  32 -11.663  -7.510   1.691
  235    H    ARG  33           HN       ARG  33 -12.260 -11.150  -2.969
  236    HA   ARG  33           HA       ARG  33 -11.552 -10.975  -5.724
  237   1HB   ARG  33          HB2       ARG  33 -12.512 -13.245  -5.667
  238   2HB   ARG  33          HB3       ARG  33 -11.664 -13.026  -4.143
  239   1HG   ARG  33          HG3       ARG  33 -14.756 -12.946  -4.526
  240   2HG   ARG  33          HG2       ARG  33 -13.730 -14.226  -3.853
  241   1HD   ARG  33          HD3       ARG  33 -14.773 -13.381  -2.006
  242   2HD   ARG  33          HD2       ARG  33 -13.157 -12.605  -1.865
  243    HE   ARG  33           HE       ARG  33 -14.486 -10.613  -3.224
  244   1HH1  ARG  33          HH1       ARG  33 -15.954 -12.580  -0.634
  245   2HH1  ARG  33          HH1       ARG  33 -17.220 -11.420  -0.410
  246   1HH2  ARG  33          HH2       ARG  33 -16.216  -9.367  -2.922
  247   2HH2  ARG  33          HH2       ARG  33 -17.287  -9.600  -1.559
  248    H    CYS  34           HN       CYS  34 -13.605 -11.404  -7.350
  249    HA   CYS  34           HA       CYS  34 -16.137 -10.564  -6.568
  250   1HB   CYS  34          HB2       CYS  34 -16.460  -8.651  -8.030
  251   2HB   CYS  34          HB3       CYS  34 -15.149  -8.261  -6.898
  252   1HN   NH2  35          HT1       CYS  34 -17.499 -10.698  -8.842
  253   2HN   NH2  35          HT2       CYS  34 -16.858 -11.862  -9.980
  Start of MODEL    4
    1   2H    ALA   1          HN2       ALA   1  -3.205  -3.773   1.065
    2    H    ALA   1           HN       ALA   1  -1.888  -4.304   0.123
    3   3H    ALA   1          HN3       ALA   1  -1.770  -4.203   1.823
    4    HA   ALA   1           HA       ALA   1  -0.611  -2.313   0.799
    5   1HB   ALA   1          HB1       ALA   1  -1.954  -2.364  -1.343
    6   2HB   ALA   1          HB2       ALA   1  -3.411  -1.792  -0.457
    7   3HB   ALA   1          HB3       ALA   1  -1.996  -0.708  -0.689
    8    H    SER   2           HN       SER   2  -1.309   0.315   1.554
    9    HA   SER   2           HA       SER   2  -2.647  -0.015   4.151
   10   1HB   SER   2          HB3       SER   2  -0.260   0.634   4.279
   11   2HB   SER   2          HB2       SER   2  -0.580   2.114   3.320
   12    HG   SER   2           HG       SER   2  -1.997   1.578   5.775
   13    H    CYS   3           HN       CYS   3  -4.041   1.804   4.931
   14    HA   CYS   3           HA       CYS   3  -5.256   3.492   2.872
   15   1HB   CYS   3          HB2       CYS   3  -7.628   2.534   3.540
   16   2HB   CYS   3          HB3       CYS   3  -6.584   1.536   2.527
   17    H    ARG   4           HN       ARG   4  -7.089   4.814   3.925
   18    HA   ARG   4           HA       ARG   4  -6.376   5.581   6.691
   19   1HB   ARG   4          HB3       ARG   4  -7.786   7.322   4.548
   20   2HB   ARG   4          HB2       ARG   4  -7.226   7.773   6.189
   21   1HG   ARG   4          HG3       ARG   4  -4.835   7.238   5.373
   22   2HG   ARG   4          HG2       ARG   4  -5.551   6.924   3.756
   23   1HD   ARG   4          HD2       ARG   4  -4.542   9.138   3.750
   24   2HD   ARG   4          HD3       ARG   4  -6.338   9.316   3.623
   25    HE   ARG   4           HE       ARG   4  -4.940   9.438   6.336
   26   1HH1  ARG   4          HH1       ARG   4  -6.815  11.185   3.910
   27   2HH1  ARG   4          HH1       ARG   4  -6.818  12.636   4.871
   28   1HH2  ARG   4          HH2       ARG   4  -5.240  11.153   7.567
   29   2HH2  ARG   4          HH2       ARG   4  -6.028  12.580   6.960
   30    H    THR   5           HN       THR   5  -9.044   5.482   4.336
   31    HA   THR   5           HA       THR   5 -10.842   4.103   6.180
   32    HB   THR   5           HB       THR   5 -12.783   5.197   5.021
   33    HG1  THR   5           HG1      THR   5 -11.560   7.332   4.101
   34   1HG2  THR   5          HG2       THR   5 -10.759   7.228   6.198
   35   2HG2  THR   5          HG2       THR   5 -12.547   7.437   6.090
   36   3HG2  THR   5          HG2       THR   5 -11.849   6.182   7.174
   37    HA   PRO   6           HA       PRO   6 -10.681   0.993   2.997
   38   1HB   PRO   6          HB3       PRO   6 -13.764   0.982   2.818
   39   2HB   PRO   6          HB2       PRO   6 -12.638  -0.414   3.034
   40   1HG   PRO   6          HG2       PRO   6 -13.979   0.589   5.183
   41   2HG   PRO   6          HG3       PRO   6 -12.201   0.280   5.328
   42   1HD   PRO   6          HD2       PRO   6 -13.549   2.973   4.736
   43   2HD   PRO   6          HD3       PRO   6 -12.301   2.518   6.002
   44    H    LYS   7           HN       LYS   7 -12.500   3.809   1.970
   45    HA   LYS   7           HA       LYS   7 -12.760   3.099  -0.817
   46   1HB   LYS   7          HB3       LYS   7 -13.300   5.716   0.656
   47   2HB   LYS   7          HB2       LYS   7 -13.712   5.365  -1.061
   48   1HG   LYS   7          HG3       LYS   7 -15.120   3.446  -0.370
   49   2HG   LYS   7          HG2       LYS   7 -14.781   3.780   1.361
   50   1HD   LYS   7          HD3       LYS   7 -15.796   6.044   1.143
   51   2HD   LYS   7          HD2       LYS   7 -16.161   5.714  -0.591
   52   1HE   LYS   7          HE3       LYS   7 -17.641   3.800   0.063
   53   2HE   LYS   7          HE2       LYS   7 -17.282   4.105   1.811
   54   1HZ   LYS   7          HZ1       LYS   7 -18.218   6.302   1.568
   55   2HZ   LYS   7          HZ2       LYS   7 -18.560   6.017  -0.072
   56   3HZ   LYS   7          HZ3       LYS   7 -19.338   5.102   1.129
   57    H    ASP   8           HN       ASP   8  -9.969   4.008   0.971
   58    HA   ASP   8           HA       ASP   8  -8.735   5.515  -1.222
   59   1HB   ASP   8          HB3       ASP   8  -7.768   4.588   1.570
   60   2HB   ASP   8          HB2       ASP   8  -6.754   5.551   0.427
   61    H    CYS   9           HN       CYS   9  -9.344   2.184  -0.607
   62    HA   CYS   9           HA       CYS   9  -6.713   1.439  -1.778
   63   1HB   CYS   9          HB3       CYS   9  -7.540   0.806   0.649
   64   2HB   CYS   9          HB2       CYS   9  -8.328  -0.583  -0.149
   65    H    ALA  10           HN       ALA  10  -9.689   1.954  -2.877
   66    HA   ALA  10           HA       ALA  10 -10.466  -0.212  -4.353
   67   1HB   ALA  10          HB1       ALA  10 -11.873   1.437  -5.593
   68   2HB   ALA  10          HB2       ALA  10 -11.852   1.760  -3.834
   69   3HB   ALA  10          HB3       ALA  10 -10.871   2.785  -4.931
   70    H    ASP  11           HN       ASP  11  -8.343   2.463  -5.343
   71    HA   ASP  11           HA       ASP  11  -7.729   1.440  -7.959
   72   1HB   ASP  11          HB2       ASP  11  -6.435   3.758  -6.415
   73   2HB   ASP  11          HB3       ASP  11  -6.208   3.403  -8.170
   74    HA   PRO  12           HA       PRO  12  -3.524  -0.082  -6.137
   75   1HB   PRO  12          HB2       PRO  12  -3.118  -0.415  -3.432
   76   2HB   PRO  12          HB3       PRO  12  -2.981   1.178  -4.255
   77   1HG   PRO  12          HG3       PRO  12  -5.393   0.323  -2.874
   78   2HG   PRO  12          HG2       PRO  12  -4.407   1.813  -2.554
   79   1HD   PRO  12          HD2       PRO  12  -6.539   1.996  -4.233
   80   2HD   PRO  12          HD3       PRO  12  -4.963   2.731  -4.740
   81    H    CYS  13           HN       CYS  13  -6.649  -1.109  -4.459
   82    HA   CYS  13           HA       CYS  13  -5.830  -3.872  -4.529
   83   1HB   CYS  13          HB2       CYS  13  -7.257  -3.184  -2.687
   84   2HB   CYS  13          HB3       CYS  13  -8.608  -2.875  -3.798
   85    H    ARG  14           HN       ARG  14  -7.589  -1.764  -6.782
   86    HA   ARG  14           HA       ARG  14  -8.332  -3.767  -8.674
   87   1HB   ARG  14          HB3       ARG  14  -9.345  -1.610  -8.603
   88   2HB   ARG  14          HB2       ARG  14  -7.793  -0.759  -8.932
   89   1HG   ARG  14          HG3       ARG  14  -7.747  -1.817 -11.227
   90   2HG   ARG  14          HG2       ARG  14  -9.197  -2.779 -10.765
   91   1HD   ARG  14          HD3       ARG  14  -9.142   0.279 -11.367
   92   2HD   ARG  14          HD2       ARG  14  -9.938  -1.075 -12.278
   93    HE   ARG  14           HE       ARG  14 -10.763  -0.865  -9.423
   94   1HH1  ARG  14          HH1       ARG  14 -11.501   0.230 -12.690
   95   2HH1  ARG  14          HH1       ARG  14 -13.062   0.788 -12.215
   96   1HH2  ARG  14          HH2       ARG  14 -12.781  -0.058  -8.925
   97   2HH2  ARG  14          HH2       ARG  14 -13.792   0.581 -10.183
   98    H    LYS  15           HN       LYS  15  -5.334  -2.305  -7.899
   99    HA   LYS  15           HA       LYS  15  -4.029  -2.985 -10.379
  100   1HB   LYS  15          HB2       LYS  15  -3.732  -0.834  -9.048
  101   2HB   LYS  15          HB3       LYS  15  -2.775  -1.742  -7.846
  102   1HG   LYS  15          HG3       LYS  15  -1.221  -2.385  -9.847
  103   2HG   LYS  15          HG2       LYS  15  -2.178  -1.234 -10.842
  104   1HD   LYS  15          HD3       LYS  15  -0.486  -0.626  -8.350
  105   2HD   LYS  15          HD2       LYS  15  -0.109  -0.152 -10.041
  106   1HE   LYS  15          HE3       LYS  15  -2.467   0.959  -8.331
  107   2HE   LYS  15          HE2       LYS  15  -0.891   1.772  -8.652
  108   1HZ   LYS  15          HZ1       LYS  15  -2.615   2.559 -10.085
  109   2HZ   LYS  15          HZ2       LYS  15  -1.405   1.778 -10.985
  110   3HZ   LYS  15          HZ3       LYS  15  -2.889   1.002 -10.704
  111    H    GLU  16           HN       GLU  16  -4.001  -4.047  -6.927
  112    HA   GLU  16           HA       GLU  16  -2.044  -6.167  -7.480
  113   1HB   GLU  16          HB2       GLU  16  -1.736  -6.645  -5.136
  114   2HB   GLU  16          HB3       GLU  16  -1.671  -4.886  -5.324
  115   1HG   GLU  16          HG3       GLU  16  -4.343  -5.255  -4.747
  116   2HG   GLU  16          HG2       GLU  16  -3.714  -6.715  -3.922
  117    H    THR  17           HN       THR  17  -5.629  -6.120  -6.718
  118    HA   THR  17           HA       THR  17  -5.566  -9.034  -7.209
  119    HB   THR  17           HB       THR  17  -7.484  -9.389  -6.033
  120    HG1  THR  17           HG1      THR  17  -7.843  -6.676  -5.335
  121   1HG2  THR  17          HG2       THR  17  -6.006  -7.248  -4.386
  122   2HG2  THR  17          HG2       THR  17  -6.920  -8.661  -3.776
  123   3HG2  THR  17          HG2       THR  17  -5.372  -8.921  -4.662
  124    H    GLY  18           HN       GLY  18  -7.587  -6.198  -7.717
  125   1HA   GLY  18          HA1       GLY  18  -7.968  -5.620 -10.160
  126   2HA   GLY  18          HA2       GLY  18  -8.644  -7.263 -10.289
  127    H    CYS  19           HN       CYS  19  -9.711  -6.988  -7.444
  128    HA   CYS  19           HA       CYS  19 -12.181  -5.517  -8.212
  129   1HB   CYS  19          HB2       CYS  19 -11.790  -7.771  -6.178
  130   2HB   CYS  19          HB3       CYS  19 -13.343  -6.918  -6.453
  131    HA   PRO  20           HA       PRO  20 -10.732  -2.707  -5.058
  132   1HB   PRO  20          HB2       PRO  20 -12.540  -0.724  -5.539
  133   2HB   PRO  20          HB3       PRO  20 -11.454  -1.259  -6.867
  134   1HG   PRO  20          HG3       PRO  20 -14.341  -2.117  -6.275
  135   2HG   PRO  20          HG2       PRO  20 -13.721  -1.451  -7.837
  136   1HD   PRO  20          HD3       PRO  20 -13.876  -4.179  -7.282
  137   2HD   PRO  20          HD2       PRO  20 -12.562  -3.454  -8.333
  138    H    TYR  21           HN       TYR  21 -11.751  -4.823  -3.933
  139    HA   TYR  21           HA       TYR  21 -14.050  -4.292  -2.129
  140   1HB   TYR  21          HB3       TYR  21 -12.866  -6.901  -3.476
  141   2HB   TYR  21          HB2       TYR  21 -13.750  -7.031  -1.994
  142    HD1  TYR  21           HD1      TYR  21 -15.359  -8.428  -2.888
  143    HD2  TYR  21           HD2      TYR  21 -14.934  -4.465  -4.574
  144    HE1  TYR  21           HE1      TYR  21 -17.518  -8.658  -4.023
  145    HE2  TYR  21           HE2      TYR  21 -17.078  -4.709  -5.664
  146    HH   TYR  21           HH       TYR  21 -18.954  -5.916  -5.799
  147    H    GLY  22           HN       GLY  22 -12.223  -2.961  -0.871
  148   1HA   GLY  22          HA1       GLY  22 -10.710  -4.948   0.802
  149   2HA   GLY  22          HA2       GLY  22 -10.019  -3.387   0.345
  150    H    LYS  23           HN       LYS  23 -10.333  -4.722   3.009
  151    HA   LYS  23           HA       LYS  23 -12.226  -2.870   4.321
  152   1HB   LYS  23          HB3       LYS  23 -11.443  -5.800   4.909
  153   2HB   LYS  23          HB2       LYS  23 -12.359  -4.768   6.069
  154   1HG   LYS  23          HG3       LYS  23 -14.277  -4.616   4.539
  155   2HG   LYS  23          HG2       LYS  23 -13.418  -5.531   3.258
  156   1HD   LYS  23          HD2       LYS  23 -13.215  -7.492   4.834
  157   2HD   LYS  23          HD3       LYS  23 -14.208  -6.581   6.025
  158   1HE   LYS  23          HE2       LYS  23 -15.640  -8.176   4.791
  159   2HE   LYS  23          HE3       LYS  23 -16.096  -6.496   4.289
  160   1HZ   LYS  23          HZ1       LYS  23 -14.296  -8.361   2.819
  161   2HZ   LYS  23          HZ2       LYS  23 -15.907  -7.988   2.430
  162   3HZ   LYS  23          HZ3       LYS  23 -14.710  -6.786   2.335
  163    H    CYS  24           HN       CYS  24 -11.216  -1.481   5.691
  164    HA   CYS  24           HA       CYS  24  -8.348  -1.558   5.859
  165   1HB   CYS  24          HB3       CYS  24  -9.891   0.473   5.216
  166   2HB   CYS  24          HB2       CYS  24 -10.160   0.675   6.954
  167    H    MET  25           HN       MET  25  -7.594  -2.873   7.296
  168    HA   MET  25           HA       MET  25  -8.749  -3.029  10.043
  169   1HB   MET  25          HB3       MET  25  -7.128  -5.042   8.372
  170   2HB   MET  25          HB2       MET  25  -7.376  -5.229  10.143
  171   1HG   MET  25          HG2       MET  25  -9.565  -5.325   7.987
  172   2HG   MET  25          HG3       MET  25  -8.911  -6.653   8.961
  173   1HE   MET  25          HE1       MET  25  -9.652  -7.351  11.255
  174   2HE   MET  25          HE2       MET  25  -8.722  -5.945  11.867
  175   3HE   MET  25          HE3       MET  25 -10.378  -6.260  12.484
  176    H    ASN  26           HN       ASN  26  -7.812  -1.313  10.940
  177    HA   ASN  26           HA       ASN  26  -6.369   0.032  11.884
  178   1HB   ASN  26          HB2       ASN  26  -5.928  -2.397  12.852
  179   2HB   ASN  26          HB3       ASN  26  -4.301  -2.259  12.136
  180   1HD2  ASN  26          HD2       ASN  26  -3.436   0.247  12.830
  181   2HD2  ASN  26          HD2       ASN  26  -3.643   0.526  14.555
  182    H    ARG  27           HN       ARG  27  -6.305   0.524   9.266
  183    HA   ARG  27           HA       ARG  27  -5.388   1.737   7.725
  184   1HB   ARG  27          HB3       ARG  27  -2.793   1.817   9.305
  185   2HB   ARG  27          HB2       ARG  27  -3.128   2.775   7.814
  186   1HG   ARG  27          HG2       ARG  27  -5.030   3.925   8.887
  187   2HG   ARG  27          HG3       ARG  27  -4.849   2.916  10.354
  188   1HD   ARG  27          HD3       ARG  27  -2.512   3.860  10.656
  189   2HD   ARG  27          HD2       ARG  27  -2.893   5.127   9.432
  190    HE   ARG  27           HE       ARG  27  -4.000   4.854  12.185
  191   1HH1  ARG  27          HH1       ARG  27  -4.834   6.099   9.036
  192   2HH1  ARG  27          HH1       ARG  27  -6.090   7.129   9.670
  193   1HH2  ARG  27          HH2       ARG  27  -5.441   6.314  12.987
  194   2HH2  ARG  27          HH2       ARG  27  -6.352   7.286  11.864
  195    H    LYS  28           HN       LYS  28  -5.081  -1.387   7.883
  196    HA   LYS  28           HA       LYS  28  -3.317  -1.672   5.525
  197   1HB   LYS  28          HB3       LYS  28  -2.879  -2.776   7.931
  198   2HB   LYS  28          HB2       LYS  28  -4.008  -4.022   7.383
  199   1HG   LYS  28          HG3       LYS  28  -1.373  -3.089   6.030
  200   2HG   LYS  28          HG2       LYS  28  -1.578  -4.532   7.081
  201   1HD   LYS  28          HD3       LYS  28  -3.079  -5.597   5.346
  202   2HD   LYS  28          HD2       LYS  28  -2.891  -4.140   4.327
  203   1HE   LYS  28          HE2       LYS  28  -0.315  -4.597   4.388
  204   2HE   LYS  28          HE3       LYS  28  -0.738  -6.236   5.028
  205   1HZ   LYS  28          HZ1       LYS  28  -1.708  -4.994   2.490
  206   2HZ   LYS  28          HZ2       LYS  28  -0.510  -6.189   2.634
  207   3HZ   LYS  28          HZ3       LYS  28  -2.118  -6.542   3.058
  208    H    CYS  29           HN       CYS  29  -4.330  -2.388   3.619
  209    HA   CYS  29           HA       CYS  29  -7.189  -2.938   3.748
  210   1HB   CYS  29          HB3       CYS  29  -5.849  -3.163   1.007
  211   2HB   CYS  29          HB2       CYS  29  -7.353  -2.482   1.590
  212    H    LYS  30           HN       LYS  30  -7.678  -4.956   4.383
  213    HA   LYS  30           HA       LYS  30  -6.254  -7.315   3.353
  214   1HB   LYS  30          HB2       LYS  30  -6.898  -7.059   5.792
  215   2HB   LYS  30          HB3       LYS  30  -8.625  -7.037   5.330
  216   1HG   LYS  30          HG3       LYS  30  -8.426  -9.344   4.419
  217   2HG   LYS  30          HG2       LYS  30  -6.659  -9.375   4.740
  218   1HD   LYS  30          HD2       LYS  30  -8.797  -8.960   6.913
  219   2HD   LYS  30          HD3       LYS  30  -8.170 -10.582   6.468
  220   1HE   LYS  30          HE3       LYS  30  -6.351  -8.306   7.543
  221   2HE   LYS  30          HE2       LYS  30  -7.110  -9.598   8.546
  222   1HZ   LYS  30          HZ1       LYS  30  -5.256 -10.040   6.270
  223   2HZ   LYS  30          HZ2       LYS  30  -4.877 -10.141   7.921
  224   3HZ   LYS  30          HZ3       LYS  30  -5.972 -11.242   7.234
  225    H    CYS  31           HN       CYS  31  -6.947  -7.868   1.222
  226    HA   CYS  31           HA       CYS  31  -9.478  -6.686   0.392
  227   1HB   CYS  31          HB2       CYS  31  -7.232  -6.071  -0.602
  228   2HB   CYS  31          HB3       CYS  31  -7.339  -7.524  -1.612
  229    H    ASN  32           HN       ASN  32 -10.954  -7.576  -0.989
  230    HA   ASN  32           HA       ASN  32 -11.325 -10.514  -0.724
  231   1HB   ASN  32          HB2       ASN  32 -12.695  -9.157   0.940
  232   2HB   ASN  32          HB3       ASN  32 -13.480  -8.290  -0.424
  233   1HD2  ASN  32          HD2       ASN  32 -15.074  -9.499   1.444
  234   2HD2  ASN  32          HD2       ASN  32 -15.679 -11.018   0.829
  235    H    ARG  33           HN       ARG  33 -13.432 -10.886  -2.574
  236    HA   ARG  33           HA       ARG  33 -12.323  -9.716  -5.087
  237   1HB   ARG  33          HB3       ARG  33 -11.477 -12.153  -4.100
  238   2HB   ARG  33          HB2       ARG  33 -12.740 -12.722  -5.185
  239   1HG   ARG  33          HG2       ARG  33 -10.494 -12.702  -6.175
  240   2HG   ARG  33          HG3       ARG  33 -11.524 -11.565  -7.105
  241   1HD   ARG  33          HD2       ARG  33  -9.075 -10.816  -6.655
  242   2HD   ARG  33          HD3       ARG  33 -10.342  -9.646  -6.170
  243    HE   ARG  33           HE       ARG  33  -9.982 -10.016  -3.893
  244   1HH1  ARG  33          HH1       ARG  33  -7.938 -12.251  -5.706
  245   2HH1  ARG  33          HH1       ARG  33  -7.012 -12.759  -4.322
  246   1HH2  ARG  33          HH2       ARG  33  -8.863 -10.943  -2.102
  247   2HH2  ARG  33          HH2       ARG  33  -7.483 -11.972  -2.367
  248    H    CYS  34           HN       CYS  34 -13.392 -10.598  -7.135
  249    HA   CYS  34           HA       CYS  34 -16.195 -11.067  -7.003
  250   1HB   CYS  34          HB2       CYS  34 -16.813  -9.087  -8.269
  251   2HB   CYS  34          HB3       CYS  34 -15.985  -8.534  -6.796
  252   1HN   NH2  35          HT1       CYS  34 -16.739 -11.643  -9.545
  253   2HN   NH2  35          HT2       CYS  34 -15.360 -12.221 -10.436
  Start of MODEL    5
    1   2H    ALA   1          HN2       ALA   1  -1.781  -3.750   1.559
    2    H    ALA   1           HN       ALA   1  -0.245  -3.669   0.803
    3   3H    ALA   1          HN3       ALA   1  -0.437  -3.294   2.472
    4    HA   ALA   1           HA       ALA   1  -0.236  -1.306   1.018
    5   1HB   ALA   1          HB1       ALA   1  -3.051  -2.232   0.009
    6   2HB   ALA   1          HB2       ALA   1  -2.231  -0.701  -0.446
    7   3HB   ALA   1          HB3       ALA   1  -1.538  -2.250  -0.969
    8    H    SER   2           HN       SER   2  -1.199   0.719   1.827
    9    HA   SER   2           HA       SER   2  -2.554   0.331   4.392
   10   1HB   SER   2          HB3       SER   2  -0.527   2.494   3.562
   11   2HB   SER   2          HB2       SER   2  -1.263   2.307   5.199
   12    HG   SER   2           HG       SER   2  -0.159   0.446   5.471
   13    H    CYS   3           HN       CYS   3  -4.059   1.829   5.138
   14    HA   CYS   3           HA       CYS   3  -5.161   3.853   3.278
   15   1HB   CYS   3          HB3       CYS   3  -7.600   2.949   3.963
   16   2HB   CYS   3          HB2       CYS   3  -6.694   2.194   2.710
   17    H    ARG   4           HN       ARG   4  -7.259   4.607   4.567
   18    HA   ARG   4           HA       ARG   4  -6.618   5.467   7.325
   19   1HB   ARG   4          HB2       ARG   4  -8.092   7.371   5.328
   20   2HB   ARG   4          HB3       ARG   4  -7.456   7.742   6.947
   21   1HG   ARG   4          HG3       ARG   4  -5.899   7.177   4.374
   22   2HG   ARG   4          HG2       ARG   4  -6.239   8.781   5.123
   23   1HD   ARG   4          HD2       ARG   4  -4.716   8.320   7.008
   24   2HD   ARG   4          HD3       ARG   4  -4.543   6.602   6.484
   25    HE   ARG   4           HE       ARG   4  -3.821   8.894   4.606
   26   1HH1  ARG   4          HH1       ARG   4  -2.869   5.797   6.091
   27   2HH1  ARG   4          HH1       ARG   4  -1.268   5.925   5.432
   28   1HH2  ARG   4          HH2       ARG   4  -1.801   8.883   3.776
   29   2HH2  ARG   4          HH2       ARG   4  -0.704   7.588   4.112
   30    H    THR   5           HN       THR   5  -9.079   5.346   4.679
   31    HA   THR   5           HA       THR   5 -11.041   4.098   6.434
   32    HB   THR   5           HB       THR   5 -12.817   5.307   5.123
   33    HG1  THR   5           HG1      THR   5 -11.931   7.319   4.172
   34   1HG2  THR   5          HG2       THR   5 -12.002   6.185   7.373
   35   2HG2  THR   5          HG2       THR   5 -10.780   7.191   6.518
   36   3HG2  THR   5          HG2       THR   5 -12.535   7.512   6.284
   37    HA   PRO   6           HA       PRO   6 -10.554   1.035   3.269
   38   1HB   PRO   6          HB2       PRO   6 -13.535   0.521   3.078
   39   2HB   PRO   6          HB3       PRO   6 -12.191  -0.578   3.512
   40   1HG   PRO   6          HG2       PRO   6 -13.922   0.463   5.408
   41   2HG   PRO   6          HG3       PRO   6 -12.159   0.304   5.765
   42   1HD   PRO   6          HD3       PRO   6 -13.626   2.826   4.865
   43   2HD   PRO   6          HD2       PRO   6 -12.437   2.534   6.230
   44    H    LYS   7           HN       LYS   7 -12.456   3.784   2.254
   45    HA   LYS   7           HA       LYS   7 -12.686   3.055  -0.533
   46   1HB   LYS   7          HB3       LYS   7 -13.845   5.104  -0.856
   47   2HB   LYS   7          HB2       LYS   7 -14.417   4.248   0.597
   48   1HG   LYS   7          HG3       LYS   7 -12.791   5.988   1.921
   49   2HG   LYS   7          HG2       LYS   7 -12.878   6.880   0.362
   50   1HD   LYS   7          HD3       LYS   7 -14.530   7.748   1.842
   51   2HD   LYS   7          HD2       LYS   7 -15.447   6.773   0.636
   52   1HE   LYS   7          HE3       LYS   7 -15.645   4.899   2.326
   53   2HE   LYS   7          HE2       LYS   7 -14.614   5.835   3.481
   54   1HZ   LYS   7          HZ1       LYS   7 -16.274   7.549   3.500
   55   2HZ   LYS   7          HZ2       LYS   7 -17.245   6.677   2.412
   56   3HZ   LYS   7          HZ3       LYS   7 -16.927   6.048   3.958
   57    H    ASP   8           HN       ASP   8  -9.845   3.932   1.206
   58    HA   ASP   8           HA       ASP   8  -8.731   5.503  -0.995
   59   1HB   ASP   8          HB3       ASP   8  -7.474   4.749   1.732
   60   2HB   ASP   8          HB2       ASP   8  -6.855   5.938   0.526
   61    H    CYS   9           HN       CYS   9  -9.194   2.172  -0.339
   62    HA   CYS   9           HA       CYS   9  -6.530   1.495  -1.525
   63   1HB   CYS   9          HB3       CYS   9  -7.290   0.927   0.980
   64   2HB   CYS   9          HB2       CYS   9  -8.036  -0.496   0.231
   65    H    ALA  10           HN       ALA  10  -9.453   1.960  -2.594
   66    HA   ALA  10           HA       ALA  10 -10.311  -0.358  -3.882
   67   1HB   ALA  10          HB1       ALA  10 -11.726   1.598  -3.372
   68   2HB   ALA  10          HB2       ALA  10 -10.838   2.581  -4.587
   69   3HB   ALA  10          HB3       ALA  10 -11.816   1.160  -5.109
   70    H    ASP  11           HN       ASP  11  -8.113   2.269  -4.972
   71    HA   ASP  11           HA       ASP  11  -7.784   1.240  -7.629
   72   1HB   ASP  11          HB2       ASP  11  -6.463   3.580  -6.160
   73   2HB   ASP  11          HB3       ASP  11  -6.168   3.168  -7.899
   74    HA   PRO  12           HA       PRO  12  -3.539  -0.616  -6.143
   75   1HB   PRO  12          HB3       PRO  12  -3.553  -1.242  -3.280
   76   2HB   PRO  12          HB2       PRO  12  -2.649   0.095  -4.070
   77   1HG   PRO  12          HG3       PRO  12  -5.377  -0.021  -2.815
   78   2HG   PRO  12          HG2       PRO  12  -4.129   1.237  -2.503
   79   1HD   PRO  12          HD3       PRO  12  -6.203   1.777  -4.124
   80   2HD   PRO  12          HD2       PRO  12  -4.539   2.230  -4.695
   81    H    CYS  13           HN       CYS  13  -6.700  -1.429  -4.561
   82    HA   CYS  13           HA       CYS  13  -6.372  -4.249  -4.723
   83   1HB   CYS  13          HB3       CYS  13  -8.016  -2.798  -3.168
   84   2HB   CYS  13          HB2       CYS  13  -9.027  -2.879  -4.499
   85    H    ARG  14           HN       ARG  14  -7.522  -1.841  -7.070
   86    HA   ARG  14           HA       ARG  14  -8.464  -3.722  -9.042
   87   1HB   ARG  14          HB3       ARG  14  -9.386  -1.540  -9.158
   88   2HB   ARG  14          HB2       ARG  14  -7.769  -0.738  -9.117
   89   1HG   ARG  14          HG3       ARG  14  -7.290  -1.533 -11.421
   90   2HG   ARG  14          HG2       ARG  14  -8.772  -2.547 -11.356
   91   1HD   ARG  14          HD3       ARG  14  -8.801   0.599 -11.531
   92   2HD   ARG  14          HD2       ARG  14  -8.891  -0.561 -12.871
   93    HE   ARG  14           HE       ARG  14 -11.075  -1.241 -12.233
   94   1HH1  ARG  14          HH1       ARG  14  -9.899   1.082  -9.867
   95   2HH1  ARG  14          HH1       ARG  14 -11.511   1.510  -9.408
   96   1HH2  ARG  14          HH2       ARG  14 -13.032  -0.655 -11.575
   97   2HH2  ARG  14          HH2       ARG  14 -13.238   0.611 -10.407
   98    H    LYS  15           HN       LYS  15  -5.341  -2.840  -8.028
   99    HA   LYS  15           HA       LYS  15  -4.070  -3.668 -10.517
  100   1HB   LYS  15          HB3       LYS  15  -3.321  -1.610  -9.414
  101   2HB   LYS  15          HB2       LYS  15  -2.956  -2.480  -7.906
  102   1HG   LYS  15          HG2       LYS  15  -0.911  -1.911  -9.135
  103   2HG   LYS  15          HG3       LYS  15  -1.075  -3.697  -9.023
  104   1HD   LYS  15          HD2       LYS  15  -1.868  -3.856 -11.299
  105   2HD   LYS  15          HD3       LYS  15  -1.827  -2.066 -11.517
  106   1HE   LYS  15          HE2       LYS  15   0.628  -3.869 -10.936
  107   2HE   LYS  15          HE3       LYS  15   0.155  -3.223 -12.562
  108   1HZ   LYS  15          HZ1       LYS  15   0.850  -1.596 -10.173
  109   2HZ   LYS  15          HZ2       LYS  15   1.842  -1.893 -11.520
  110   3HZ   LYS  15          HZ3       LYS  15   0.409  -1.000 -11.700
  111    H    GLU  16           HN       GLU  16  -4.288  -4.728  -7.043
  112    HA   GLU  16           HA       GLU  16  -2.624  -7.078  -7.680
  113   1HB   GLU  16          HB3       GLU  16  -2.402  -7.561  -5.271
  114   2HB   GLU  16          HB2       GLU  16  -1.929  -5.891  -5.653
  115   1HG   GLU  16          HG2       GLU  16  -4.528  -5.394  -5.032
  116   2HG   GLU  16          HG3       GLU  16  -4.409  -6.985  -4.223
  117    H    THR  17           HN       THR  17  -6.123  -6.680  -6.516
  118    HA   THR  17           HA       THR  17  -6.347  -9.556  -7.192
  119    HB   THR  17           HB       THR  17  -8.516  -9.706  -6.237
  120    HG1  THR  17           HG1      THR  17  -9.384  -8.084  -5.012
  121   1HG2  THR  17          HG2       THR  17  -7.803  -9.457  -3.814
  122   2HG2  THR  17          HG2       THR  17  -6.543 -10.242  -4.827
  123   3HG2  THR  17          HG2       THR  17  -6.366  -8.527  -4.327
  124    H    GLY  18           HN       GLY  18  -7.671  -6.336  -7.914
  125   1HA   GLY  18          HA1       GLY  18  -7.860  -5.676 -10.210
  126   2HA   GLY  18          HA2       GLY  18  -8.574  -7.243 -10.616
  127    H    CYS  19           HN       CYS  19  -9.764  -6.942  -7.868
  128    HA   CYS  19           HA       CYS  19 -12.376  -5.843  -8.700
  129   1HB   CYS  19          HB2       CYS  19 -11.551  -7.803  -6.493
  130   2HB   CYS  19          HB3       CYS  19 -13.223  -7.230  -6.775
  131    HA   PRO  20           HA       PRO  20 -11.353  -2.364  -5.957
  132   1HB   PRO  20          HB2       PRO  20 -14.332  -1.727  -6.201
  133   2HB   PRO  20          HB3       PRO  20 -12.896  -0.665  -6.516
  134   1HG   PRO  20          HG3       PRO  20 -14.479  -1.866  -8.452
  135   2HG   PRO  20          HG2       PRO  20 -12.668  -1.722  -8.694
  136   1HD   PRO  20          HD2       PRO  20 -14.296  -4.155  -7.767
  137   2HD   PRO  20          HD3       PRO  20 -12.932  -3.990  -8.969
  138    H    TYR  21           HN       TYR  21 -12.148  -4.860  -4.349
  139    HA   TYR  21           HA       TYR  21 -13.793  -3.718  -2.148
  140   1HB   TYR  21          HB3       TYR  21 -13.248  -6.682  -2.925
  141   2HB   TYR  21          HB2       TYR  21 -14.309  -6.122  -1.591
  142    HD1  TYR  21           HD1      TYR  21 -15.397  -3.868  -4.178
  143    HD2  TYR  21           HD2      TYR  21 -15.167  -8.060  -3.161
  144    HE1  TYR  21           HE1      TYR  21 -17.211  -4.364  -5.732
  145    HE2  TYR  21           HE2      TYR  21 -17.061  -8.527  -4.607
  146    HH   TYR  21           HH       TYR  21 -18.603  -7.669  -5.926
  147    H    GLY  22           HN       GLY  22 -12.402  -2.912  -0.531
  148   1HA   GLY  22          HA1       GLY  22 -10.564  -4.948   0.628
  149   2HA   GLY  22          HA2       GLY  22  -9.930  -3.309   0.233
  150    H    LYS  23           HN       LYS  23 -10.630  -4.900   2.953
  151    HA   LYS  23           HA       LYS  23 -12.216  -2.738   4.190
  152   1HB   LYS  23          HB2       LYS  23 -13.083  -4.942   4.545
  153   2HB   LYS  23          HB3       LYS  23 -11.504  -5.595   5.099
  154   1HG   LYS  23          HG3       LYS  23 -11.698  -4.181   7.193
  155   2HG   LYS  23          HG2       LYS  23 -13.194  -3.437   6.533
  156   1HD   LYS  23          HD2       LYS  23 -14.309  -5.661   6.514
  157   2HD   LYS  23          HD3       LYS  23 -12.822  -6.436   7.151
  158   1HE   LYS  23          HE2       LYS  23 -14.501  -4.277   8.625
  159   2HE   LYS  23          HE3       LYS  23 -14.561  -6.060   8.937
  160   1HZ   LYS  23          HZ1       LYS  23 -12.238  -5.989   9.521
  161   2HZ   LYS  23          HZ2       LYS  23 -12.173  -4.317   9.232
  162   3HZ   LYS  23          HZ3       LYS  23 -13.146  -4.925  10.483
  163    H    CYS  24           HN       CYS  24 -11.311  -1.387   5.654
  164    HA   CYS  24           HA       CYS  24  -8.400  -1.456   5.988
  165   1HB   CYS  24          HB3       CYS  24  -9.895   0.638   5.386
  166   2HB   CYS  24          HB2       CYS  24 -10.101   0.810   7.129
  167    H    MET  25           HN       MET  25  -7.592  -2.647   7.520
  168    HA   MET  25           HA       MET  25  -8.864  -2.777  10.229
  169   1HB   MET  25          HB3       MET  25  -7.179  -4.806   8.605
  170   2HB   MET  25          HB2       MET  25  -7.460  -5.002  10.370
  171   1HG   MET  25          HG3       MET  25  -9.865  -5.326  10.051
  172   2HG   MET  25          HG2       MET  25  -9.720  -5.063   8.290
  173   1HE   MET  25          HE1       MET  25 -11.192  -7.411   8.551
  174   2HE   MET  25          HE2       MET  25 -10.505  -8.921   9.238
  175   3HE   MET  25          HE3       MET  25 -10.813  -7.507  10.304
  176    H    ASN  26           HN       ASN  26  -7.870  -1.080  11.191
  177    HA   ASN  26           HA       ASN  26  -6.321   0.121  12.219
  178   1HB   ASN  26          HB3       ASN  26  -5.699  -2.419  13.014
  179   2HB   ASN  26          HB2       ASN  26  -4.195  -2.124  12.126
  180   1HD2  ASN  26          HD2       ASN  26  -3.285   0.314  12.923
  181   2HD2  ASN  26          HD2       ASN  26  -3.312   0.410  14.694
  182    H    ARG  27           HN       ARG  27  -6.366   0.640   9.475
  183    HA   ARG  27           HA       ARG  27  -5.417   1.977   7.985
  184   1HB   ARG  27          HB2       ARG  27  -2.804   1.777   9.371
  185   2HB   ARG  27          HB3       ARG  27  -3.116   2.808   7.937
  186   1HG   ARG  27          HG2       ARG  27  -4.753   4.143   9.138
  187   2HG   ARG  27          HG3       ARG  27  -4.456   3.219  10.656
  188   1HD   ARG  27          HD3       ARG  27  -2.308   4.868   9.106
  189   2HD   ARG  27          HD2       ARG  27  -3.233   5.423  10.544
  190    HE   ARG  27           HE       ARG  27  -2.081   3.860  11.948
  191   1HH1  ARG  27          HH1       ARG  27  -1.018   3.251   8.653
  192   2HH1  ARG  27          HH1       ARG  27   0.502   2.585   9.208
  193   1HH2  ARG  27          HH2       ARG  27  -0.105   3.055  12.541
  194   2HH2  ARG  27          HH2       ARG  27   0.945   2.401  11.321
  195    H    LYS  28           HN       LYS  28  -5.085  -1.265   8.110
  196    HA   LYS  28           HA       LYS  28  -3.428  -1.460   5.653
  197   1HB   LYS  28          HB2       LYS  28  -3.784  -3.472   7.973
  198   2HB   LYS  28          HB3       LYS  28  -3.150  -3.961   6.387
  199   1HG   LYS  28          HG3       LYS  28  -1.879  -1.770   8.093
  200   2HG   LYS  28          HG2       LYS  28  -1.415  -3.500   8.156
  201   1HD   LYS  28          HD3       LYS  28  -1.311  -1.792   5.586
  202   2HD   LYS  28          HD2       LYS  28   0.074  -2.040   6.692
  203   1HE   LYS  28          HE2       LYS  28   0.159  -4.443   6.222
  204   2HE   LYS  28          HE3       LYS  28  -1.382  -4.385   5.282
  205   1HZ   LYS  28          HZ1       LYS  28   0.508  -4.385   3.850
  206   2HZ   LYS  28          HZ2       LYS  28  -0.343  -2.925   3.703
  207   3HZ   LYS  28          HZ3       LYS  28   1.121  -2.971   4.560
  208    H    CYS  29           HN       CYS  29  -4.237  -2.476   3.852
  209    HA   CYS  29           HA       CYS  29  -7.126  -2.831   3.862
  210   1HB   CYS  29          HB3       CYS  29  -5.628  -3.117   1.212
  211   2HB   CYS  29          HB2       CYS  29  -7.161  -2.370   1.675
  212    H    LYS  30           HN       LYS  30  -8.036  -4.750   4.132
  213    HA   LYS  30           HA       LYS  30  -6.762  -7.251   3.280
  214   1HB   LYS  30          HB3       LYS  30  -7.938  -7.051   5.481
  215   2HB   LYS  30          HB2       LYS  30  -9.443  -6.593   4.650
  216   1HG   LYS  30          HG3       LYS  30  -9.436  -8.906   3.517
  217   2HG   LYS  30          HG2       LYS  30  -8.038  -9.333   4.576
  218   1HD   LYS  30          HD2       LYS  30  -9.435  -8.780   6.574
  219   2HD   LYS  30          HD3       LYS  30 -10.779  -8.255   5.501
  220   1HE   LYS  30          HE3       LYS  30 -11.043 -10.584   4.635
  221   2HE   LYS  30          HE2       LYS  30  -9.709 -11.144   5.727
  222   1HZ   LYS  30          HZ1       LYS  30 -11.871 -11.497   6.684
  223   2HZ   LYS  30          HZ2       LYS  30 -11.001 -10.361   7.598
  224   3HZ   LYS  30          HZ3       LYS  30 -12.249  -9.845   6.571
  225    H    CYS  31           HN       CYS  31  -6.672  -6.874   1.016
  226    HA   CYS  31           HA       CYS  31  -8.885  -6.130  -0.620
  227   1HB   CYS  31          HB2       CYS  31  -6.615  -5.492  -1.145
  228   2HB   CYS  31          HB3       CYS  31  -6.104  -7.184  -1.325
  229    H    ASN  32           HN       ASN  32 -10.274  -7.257  -1.791
  230    HA   ASN  32           HA       ASN  32 -10.340 -10.227  -1.449
  231   1HB   ASN  32          HB3       ASN  32 -12.713  -8.255  -1.822
  232   2HB   ASN  32          HB2       ASN  32 -12.828  -9.972  -1.304
  233   1HD2  ASN  32          HD2       ASN  32 -12.552  -6.808  -0.093
  234   2HD2  ASN  32          HD2       ASN  32 -12.663  -7.422   1.539
  235    H    ARG  33           HN       ARG  33 -11.905 -11.299  -3.016
  236    HA   ARG  33           HA       ARG  33 -11.361 -10.769  -5.785
  237   1HB   ARG  33          HB2       ARG  33 -12.528 -13.181  -5.813
  238   2HB   ARG  33          HB3       ARG  33 -11.050 -12.972  -4.918
  239   1HG   ARG  33          HG3       ARG  33 -12.551 -14.392  -3.728
  240   2HG   ARG  33          HG2       ARG  33 -11.978 -13.046  -2.732
  241   1HD   ARG  33          HD2       ARG  33 -14.897 -13.353  -3.839
  242   2HD   ARG  33          HD3       ARG  33 -14.243 -13.820  -2.223
  243    HE   ARG  33           HE       ARG  33 -14.036 -10.917  -3.108
  244   1HH1  ARG  33          HH1       ARG  33 -16.184 -13.203  -1.475
  245   2HH1  ARG  33          HH1       ARG  33 -17.167 -11.899  -0.946
  246   1HH2  ARG  33          HH2       ARG  33 -14.749  -9.528  -1.648
  247   2HH2  ARG  33          HH2       ARG  33 -16.294  -9.848  -0.942
  248    H    CYS  34           HN       CYS  34 -13.463 -11.222  -7.370
  249    HA   CYS  34           HA       CYS  34 -15.991 -10.553  -6.320
  250   1HB   CYS  34          HB2       CYS  34 -16.469  -8.677  -7.807
  251   2HB   CYS  34          HB3       CYS  34 -15.126  -8.225  -6.739
  252   1HN   NH2  35          HT1       CYS  34 -17.580 -10.991  -8.303
  253   2HN   NH2  35          HT2       CYS  34 -16.954 -12.008  -9.584
  Start of MODEL    6
    1   2H    ALA   1          HN2       ALA   1   0.423  -3.346   2.049
    2    H    ALA   1           HN       ALA   1  -0.863  -3.115   3.143
    3   3H    ALA   1          HN3       ALA   1  -1.188  -3.541   1.552
    4    HA   ALA   1           HA       ALA   1   0.310  -1.150   1.659
    5   1HB   ALA   1          HB1       ALA   1  -1.497  -0.492  -0.029
    6   2HB   ALA   1          HB2       ALA   1  -0.849  -2.111  -0.391
    7   3HB   ALA   1          HB3       ALA   1  -2.445  -1.943   0.430
    8    H    SER   2           HN       SER   2  -0.733   1.025   1.976
    9    HA   SER   2           HA       SER   2  -2.015   1.155   4.566
   10   1HB   SER   2          HB3       SER   2  -0.818   3.347   2.760
   11   2HB   SER   2          HB2       SER   2  -1.382   3.580   4.463
   12    HG   SER   2           HG       SER   2   0.736   3.174   4.623
   13    H    CYS   3           HN       CYS   3  -3.932   2.283   5.031
   14    HA   CYS   3           HA       CYS   3  -5.510   3.623   3.063
   15   1HB   CYS   3          HB2       CYS   3  -7.603   2.210   3.438
   16   2HB   CYS   3          HB3       CYS   3  -6.286   1.377   2.583
   17    H    ARG   4           HN       ARG   4  -7.295   4.802   4.132
   18    HA   ARG   4           HA       ARG   4  -6.907   5.158   7.063
   19   1HB   ARG   4          HB2       ARG   4  -8.264   7.217   5.150
   20   2HB   ARG   4          HB3       ARG   4  -7.821   7.388   6.867
   21   1HG   ARG   4          HG3       ARG   4  -5.999   7.255   4.393
   22   2HG   ARG   4          HG2       ARG   4  -6.356   8.629   5.491
   23   1HD   ARG   4          HD2       ARG   4  -5.168   7.248   7.383
   24   2HD   ARG   4          HD3       ARG   4  -4.640   6.128   6.084
   25    HE   ARG   4           HE       ARG   4  -3.443   7.935   4.971
   26   1HH1  ARG   4          HH2       ARG   4  -5.095   9.080   7.771
   27   2HH1  ARG   4          HH2       ARG   4  -4.301  10.620   7.759
   28   1HH2  ARG   4          HH1       ARG   4  -2.282   9.885   5.068
   29   2HH2  ARG   4          HH1       ARG   4  -2.636  11.014   6.317
   30    H    THR   5           HN       THR   5  -9.361   5.335   4.427
   31    HA   THR   5           HA       THR   5 -11.317   3.935   6.092
   32    HB   THR   5           HB       THR   5 -13.070   5.004   4.691
   33    HG1  THR   5           HG1      THR   5 -12.190   7.036   3.687
   34   1HG2  THR   5          HG2       THR   5 -12.403   6.020   6.904
   35   2HG2  THR   5          HG2       THR   5 -11.146   7.020   6.096
   36   3HG2  THR   5          HG2       THR   5 -12.886   7.288   5.734
   37    HA   PRO   6           HA       PRO   6 -10.644   0.726   3.101
   38   1HB   PRO   6          HB2       PRO   6 -13.672   0.302   2.922
   39   2HB   PRO   6          HB3       PRO   6 -12.365  -0.858   3.251
   40   1HG   PRO   6          HG2       PRO   6 -13.940   0.154   5.275
   41   2HG   PRO   6          HG3       PRO   6 -12.140   0.101   5.517
   42   1HD   PRO   6          HD3       PRO   6 -13.732   2.534   4.645
   43   2HD   PRO   6          HD2       PRO   6 -12.492   2.266   5.984
   44    H    LYS   7           HN       LYS   7 -12.637   3.363   1.888
   45    HA   LYS   7           HA       LYS   7 -12.796   2.608  -0.847
   46   1HB   LYS   7          HB2       LYS   7 -12.921   5.383   0.481
   47   2HB   LYS   7          HB3       LYS   7 -13.471   5.004  -1.185
   48   1HG   LYS   7          HG2       LYS   7 -14.710   3.813   1.373
   49   2HG   LYS   7          HG3       LYS   7 -15.300   5.256   0.485
   50   1HD   LYS   7          HD2       LYS   7 -15.712   3.927  -1.541
   51   2HD   LYS   7          HD3       LYS   7 -15.104   2.433  -0.744
   52   1HE   LYS   7          HE3       LYS   7 -16.943   2.508   0.922
   53   2HE   LYS   7          HE2       LYS   7 -17.528   4.078   0.233
   54   1HZ   LYS   7          HZ1       LYS   7 -18.777   2.218  -0.580
   55   2HZ   LYS   7          HZ2       LYS   7 -17.928   2.961  -1.849
   56   3HZ   LYS   7          HZ3       LYS   7 -17.380   1.485  -1.211
   57    H    ASP   8           HN       ASP   8 -10.058   3.756   1.061
   58    HA   ASP   8           HA       ASP   8  -8.655   4.957  -1.180
   59   1HB   ASP   8          HB2       ASP   8  -7.677   4.299   1.676
   60   2HB   ASP   8          HB3       ASP   8  -6.791   5.282   0.451
   61    H    CYS   9           HN       CYS   9  -9.182   1.685  -0.122
   62    HA   CYS   9           HA       CYS   9  -6.641   0.789  -1.313
   63   1HB   CYS   9          HB3       CYS   9  -7.500   0.195   1.093
   64   2HB   CYS   9          HB2       CYS   9  -8.494  -1.033   0.316
   65    H    ALA  10           HN       ALA  10  -9.738   1.478  -2.315
   66    HA   ALA  10           HA       ALA  10 -10.445  -0.600  -4.033
   67   1HB   ALA  10          HB1       ALA  10 -11.040   2.401  -4.272
   68   2HB   ALA  10          HB2       ALA  10 -11.957   1.057  -5.047
   69   3HB   ALA  10          HB3       ALA  10 -11.938   1.226  -3.262
   70    H    ASP  11           HN       ASP  11  -8.280   2.191  -4.509
   71    HA   ASP  11           HA       ASP  11  -7.704   1.776  -7.265
   72   1HB   ASP  11          HB2       ASP  11  -6.230   3.553  -5.223
   73   2HB   ASP  11          HB3       ASP  11  -6.140   3.669  -7.015
   74    HA   PRO  12           HA       PRO  12  -3.568  -0.350  -5.910
   75   1HB   PRO  12          HB2       PRO  12  -3.098  -1.154  -3.289
   76   2HB   PRO  12          HB3       PRO  12  -2.902   0.557  -3.823
   77   1HG   PRO  12          HG3       PRO  12  -5.338  -0.400  -2.511
   78   2HG   PRO  12          HG2       PRO  12  -4.247   0.959  -2.010
   79   1HD   PRO  12          HD2       PRO  12  -6.392   1.548  -3.572
   80   2HD   PRO  12          HD3       PRO  12  -4.778   2.242  -3.996
   81    H    CYS  13           HN       CYS  13  -6.657  -1.409  -4.298
   82    HA   CYS  13           HA       CYS  13  -6.115  -4.177  -4.723
   83   1HB   CYS  13          HB2       CYS  13  -7.554  -3.539  -2.879
   84   2HB   CYS  13          HB3       CYS  13  -8.793  -2.962  -4.018
   85    H    ARG  14           HN       ARG  14  -7.701  -1.690  -6.715
   86    HA   ARG  14           HA       ARG  14  -8.495  -3.401  -8.893
   87   1HB   ARG  14          HB3       ARG  14  -9.478  -1.179  -8.517
   88   2HB   ARG  14          HB2       ARG  14  -7.875  -0.366  -8.621
   89   1HG   ARG  14          HG3       ARG  14  -7.776  -0.939 -11.057
   90   2HG   ARG  14          HG2       ARG  14  -9.355  -1.795 -10.874
   91   1HD   ARG  14          HD3       ARG  14  -8.961   1.298 -10.812
   92   2HD   ARG  14          HD2       ARG  14  -9.896   0.262 -11.961
   93    HE   ARG  14           HE       ARG  14 -10.694   0.095  -9.086
   94   1HH1  ARG  14          HH2       ARG  14 -11.336   1.786 -12.079
   95   2HH1  ARG  14          HH2       ARG  14 -12.843   2.413 -11.498
   96   1HH2  ARG  14          HH1       ARG  14 -12.752   0.691  -8.513
   97   2HH2  ARG  14          HH1       ARG  14 -13.693   1.687  -9.573
   98    H    LYS  15           HN       LYS  15  -5.448  -2.499  -7.813
   99    HA   LYS  15           HA       LYS  15  -4.204  -2.916 -10.420
  100   1HB   LYS  15          HB3       LYS  15  -3.686  -0.898  -9.075
  101   2HB   LYS  15          HB2       LYS  15  -2.891  -1.894  -7.828
  102   1HG   LYS  15          HG3       LYS  15  -1.189  -2.606  -9.586
  103   2HG   LYS  15          HG2       LYS  15  -2.104  -1.656 -10.819
  104   1HD   LYS  15          HD3       LYS  15  -1.713   0.401  -9.362
  105   2HD   LYS  15          HD2       LYS  15  -0.683  -0.631  -8.304
  106   1HE   LYS  15          HE3       LYS  15  -0.158  -0.080 -11.314
  107   2HE   LYS  15          HE2       LYS  15   0.665   0.762  -9.937
  108   1HZ   LYS  15          HZ1       LYS  15   1.976  -1.031 -10.810
  109   2HZ   LYS  15          HZ2       LYS  15   1.516  -1.358  -9.209
  110   3HZ   LYS  15          HZ3       LYS  15   0.744  -2.156 -10.494
  111    H    GLU  16           HN       GLU  16  -4.053  -4.232  -7.008
  112    HA   GLU  16           HA       GLU  16  -2.107  -6.269  -7.694
  113   1HB   GLU  16          HB2       GLU  16  -2.140  -7.097  -5.337
  114   2HB   GLU  16          HB3       GLU  16  -1.871  -5.349  -5.391
  115   1HG   GLU  16          HG3       GLU  16  -4.410  -5.126  -5.052
  116   2HG   GLU  16          HG2       GLU  16  -4.519  -6.857  -4.597
  117    H    THR  17           HN       THR  17  -5.577  -6.444  -6.968
  118    HA   THR  17           HA       THR  17  -5.549  -9.259  -7.958
  119    HB   THR  17           HB       THR  17  -6.230  -9.464  -5.770
  120    HG1  THR  17           HG1      THR  17  -8.331 -10.260  -6.010
  121   1HG2  THR  17          HG2       THR  17  -6.970  -7.350  -4.999
  122   2HG2  THR  17          HG2       THR  17  -8.312  -7.225  -6.224
  123   3HG2  THR  17          HG2       THR  17  -8.377  -8.409  -4.882
  124    H    GLY  18           HN       GLY  18  -7.282  -6.112  -8.078
  125   1HA   GLY  18          HA1       GLY  18  -7.607  -5.193 -10.226
  126   2HA   GLY  18          HA2       GLY  18  -8.039  -6.755 -10.900
  127    H    CYS  19           HN       CYS  19  -9.481  -6.873  -8.007
  128    HA   CYS  19           HA       CYS  19 -11.947  -5.520  -9.035
  129   1HB   CYS  19          HB2       CYS  19 -11.670  -8.162  -7.597
  130   2HB   CYS  19          HB3       CYS  19 -13.206  -7.213  -7.585
  131    HA   PRO  20           HA       PRO  20 -10.970  -3.037  -5.340
  132   1HB   PRO  20          HB3       PRO  20 -12.834  -1.021  -5.668
  133   2HB   PRO  20          HB2       PRO  20 -11.569  -1.293  -6.918
  134   1HG   PRO  20          HG3       PRO  20 -14.292  -2.357  -6.977
  135   2HG   PRO  20          HG2       PRO  20 -13.558  -1.366  -8.278
  136   1HD   PRO  20          HD3       PRO  20 -13.501  -4.105  -8.454
  137   2HD   PRO  20          HD2       PRO  20 -11.980  -3.153  -8.831
  138    H    TYR  21           HN       TYR  21 -11.671  -5.047  -4.091
  139    HA   TYR  21           HA       TYR  21 -14.301  -4.714  -2.709
  140   1HB   TYR  21          HB3       TYR  21 -12.910  -7.191  -4.012
  141   2HB   TYR  21          HB2       TYR  21 -13.774  -7.485  -2.523
  142    HD1  TYR  21           HD1      TYR  21 -14.281  -6.044  -5.926
  143    HD2  TYR  21           HD2      TYR  21 -16.100  -7.481  -2.306
  144    HE1  TYR  21           HE1      TYR  21 -16.499  -5.999  -7.025
  145    HE2  TYR  21           HE2      TYR  21 -18.287  -7.497  -3.394
  146    HH   TYR  21           HH       TYR  21 -18.742  -6.226  -6.708
  147    H    GLY  22           HN       GLY  22 -12.633  -3.266  -1.319
  148   1HA   GLY  22          HA1       GLY  22 -11.393  -5.186   0.653
  149   2HA   GLY  22          HA2       GLY  22 -10.588  -3.665   0.158
  150    H    LYS  23           HN       LYS  23 -10.662  -4.516   2.718
  151    HA   LYS  23           HA       LYS  23 -12.461  -2.682   4.099
  152   1HB   LYS  23          HB3       LYS  23 -11.489  -5.518   4.878
  153   2HB   LYS  23          HB2       LYS  23 -12.176  -4.376   6.055
  154   1HG   LYS  23          HG3       LYS  23 -13.707  -5.447   3.664
  155   2HG   LYS  23          HG2       LYS  23 -13.871  -5.955   5.375
  156   1HD   LYS  23          HD3       LYS  23 -14.619  -3.186   4.168
  157   2HD   LYS  23          HD2       LYS  23 -15.695  -4.480   4.765
  158   1HE   LYS  23          HE3       LYS  23 -15.768  -2.851   6.471
  159   2HE   LYS  23          HE2       LYS  23 -14.657  -4.114   7.135
  160   1HZ   LYS  23          HZ1       LYS  23 -12.806  -2.707   6.439
  161   2HZ   LYS  23          HZ2       LYS  23 -13.883  -1.540   5.835
  162   3HZ   LYS  23          HZ3       LYS  23 -13.852  -1.889   7.497
  163    H    CYS  24           HN       CYS  24 -11.489  -1.516   5.691
  164    HA   CYS  24           HA       CYS  24  -8.515  -1.653   5.903
  165   1HB   CYS  24          HB3       CYS  24  -9.816   0.512   5.079
  166   2HB   CYS  24          HB2       CYS  24 -10.143   0.814   6.768
  167    H    MET  25           HN       MET  25  -7.517  -1.836   7.854
  168    HA   MET  25           HA       MET  25  -9.167  -1.794  10.312
  169   1HB   MET  25          HB2       MET  25  -7.216  -4.056   9.456
  170   2HB   MET  25          HB3       MET  25  -7.949  -3.941  11.092
  171   1HG   MET  25          HG2       MET  25  -9.509  -4.431   8.480
  172   2HG   MET  25          HG3       MET  25  -9.038  -5.636   9.695
  173   1HE   MET  25          HE1       MET  25 -13.023  -4.880   9.584
  174   2HE   MET  25          HE2       MET  25 -11.904  -4.264   8.317
  175   3HE   MET  25          HE3       MET  25 -11.701  -5.933   8.953
  176    H    ASN  26           HN       ASN  26  -7.700   0.139   9.342
  177    HA   ASN  26           HA       ASN  26  -6.474   1.860  10.047
  178   1HB   ASN  26          HB3       ASN  26  -7.218   1.329  12.349
  179   2HB   ASN  26          HB2       ASN  26  -5.749   0.330  12.581
  180   1HD2  ASN  26          HD2       ASN  26  -4.551   1.581  14.071
  181   2HD2  ASN  26          HD2       ASN  26  -4.210   3.275  13.837
  182    H    ARG  27           HN       ARG  27  -4.982   1.632   8.171
  183    HA   ARG  27           HA       ARG  27  -3.090   1.738   7.249
  184   1HB   ARG  27          HB3       ARG  27  -1.641   1.464   9.894
  185   2HB   ARG  27          HB2       ARG  27  -0.981   2.078   8.334
  186   1HG   ARG  27          HG2       ARG  27  -2.804   3.866   8.315
  187   2HG   ARG  27          HG3       ARG  27  -3.275   3.385   9.974
  188   1HD   ARG  27          HD3       ARG  27  -1.067   4.013  10.851
  189   2HD   ARG  27          HD2       ARG  27  -0.510   4.563   9.223
  190    HE   ARG  27           HE       ARG  27  -2.222   6.061  11.073
  191   1HH1  ARG  27          HH2       ARG  27  -1.734   5.667   7.543
  192   2HH1  ARG  27          HH2       ARG  27  -2.574   7.188   7.256
  193   1HH2  ARG  27          HH1       ARG  27  -3.125   8.002  10.449
  194   2HH2  ARG  27          HH1       ARG  27  -3.108   8.485   8.776
  195    H    LYS  28           HN       LYS  28  -4.396  -0.901   7.562
  196    HA   LYS  28           HA       LYS  28  -2.444  -2.434   6.070
  197   1HB   LYS  28          HB3       LYS  28  -2.169  -3.191   8.483
  198   2HB   LYS  28          HB2       LYS  28  -3.928  -3.457   8.589
  199   1HG   LYS  28          HG3       LYS  28  -2.889  -5.528   8.432
  200   2HG   LYS  28          HG2       LYS  28  -3.709  -5.368   6.860
  201   1HD   LYS  28          HD3       LYS  28  -0.760  -4.518   7.030
  202   2HD   LYS  28          HD2       LYS  28  -1.147  -6.241   7.326
  203   1HE   LYS  28          HE2       LYS  28  -0.576  -6.163   5.036
  204   2HE   LYS  28          HE3       LYS  28  -2.377  -6.343   5.079
  205   1HZ   LYS  28          HZ1       LYS  28  -2.532  -3.962   4.709
  206   2HZ   LYS  28          HZ2       LYS  28  -0.840  -3.824   4.669
  207   3HZ   LYS  28          HZ3       LYS  28  -1.647  -4.727   3.478
  208    H    CYS  29           HN       CYS  29  -3.534  -3.292   4.304
  209    HA   CYS  29           HA       CYS  29  -6.500  -3.255   4.286
  210   1HB   CYS  29          HB2       CYS  29  -4.615  -3.735   1.882
  211   2HB   CYS  29          HB3       CYS  29  -6.406  -3.617   1.843
  212    H    LYS  30           HN       LYS  30  -7.716  -5.062   3.992
  213    HA   LYS  30           HA       LYS  30  -6.426  -7.616   3.231
  214   1HB   LYS  30          HB3       LYS  30  -7.298  -7.656   5.650
  215   2HB   LYS  30          HB2       LYS  30  -8.939  -7.318   5.028
  216   1HG   LYS  30          HG3       LYS  30  -8.700  -9.541   3.627
  217   2HG   LYS  30          HG2       LYS  30  -7.075  -9.699   4.366
  218   1HD   LYS  30          HD2       LYS  30  -8.434 -11.139   5.650
  219   2HD   LYS  30          HD3       LYS  30  -8.214  -9.681   6.670
  220   1HE   LYS  30          HE2       LYS  30 -10.552 -10.404   6.832
  221   2HE   LYS  30          HE3       LYS  30 -10.551  -8.887   5.845
  222   1HZ   LYS  30          HZ1       LYS  30 -10.626 -11.683   4.817
  223   2HZ   LYS  30          HZ2       LYS  30 -11.931 -10.599   4.905
  224   3HZ   LYS  30          HZ3       LYS  30 -10.624 -10.273   3.870
  225    H    CYS  31           HN       CYS  31  -7.156  -7.986   1.061
  226    HA   CYS  31           HA       CYS  31  -9.637  -6.592   0.323
  227   1HB   CYS  31          HB2       CYS  31  -7.356  -6.022  -0.934
  228   2HB   CYS  31          HB3       CYS  31  -7.678  -7.478  -1.863
  229    H    ASN  32           HN       ASN  32 -11.047  -7.594  -1.193
  230    HA   ASN  32           HA       ASN  32 -11.174 -10.553  -0.965
  231   1HB   ASN  32          HB2       ASN  32 -12.739  -9.339   0.627
  232   2HB   ASN  32          HB3       ASN  32 -13.570  -8.534  -0.726
  233   1HD2  ASN  32          HD2       ASN  32 -14.130 -10.747   1.540
  234   2HD2  ASN  32          HD2       ASN  32 -15.053 -11.900   0.606
  235    H    ARG  33           HN       ARG  33 -13.429 -10.649  -2.975
  236    HA   ARG  33           HA       ARG  33 -12.129  -9.513  -5.379
  237   1HB   ARG  33          HB3       ARG  33 -11.940 -12.272  -4.479
  238   2HB   ARG  33          HB2       ARG  33 -13.016 -12.336  -5.874
  239   1HG   ARG  33          HG3       ARG  33 -11.218 -12.381  -7.169
  240   2HG   ARG  33          HG2       ARG  33 -10.874 -10.664  -6.795
  241   1HD   ARG  33          HD3       ARG  33  -9.825 -13.137  -5.200
  242   2HD   ARG  33          HD2       ARG  33  -8.916 -12.243  -6.479
  243    HE   ARG  33           HE       ARG  33  -9.966 -10.383  -4.395
  244   1HH1  ARG  33          HH1       ARG  33  -7.402 -12.899  -4.739
  245   2HH1  ARG  33          HH1       ARG  33  -6.640 -12.337  -3.290
  246   1HH2  ARG  33          HH2       ARG  33  -8.935  -9.809  -2.768
  247   2HH2  ARG  33          HH2       ARG  33  -7.650 -10.709  -2.038
  248    H    CYS  34           HN       CYS  34 -13.521  -9.948  -7.340
  249    HA   CYS  34           HA       CYS  34 -16.253  -9.142  -6.851
  250   1HB   CYS  34          HB3       CYS  34 -16.194  -9.243  -9.492
  251   2HB   CYS  34          HB2       CYS  34 -15.262  -8.011  -8.612
  252   1HN   NH2  35          HT1       CYS  34 -16.060 -11.723  -5.698
  253   2HN   NH2  35          HT2       CYS  34 -16.947 -12.853  -6.727
  Start of MODEL    7
    1   2H    ALA   1          HN2       ALA   1  -1.475  -4.477   0.787
    2    H    ALA   1           HN       ALA   1  -1.458  -4.142   2.458
    3   3H    ALA   1          HN3       ALA   1  -2.909  -4.047   1.629
    4    HA   ALA   1           HA       ALA   1  -0.509  -2.314   1.204
    5   1HB   ALA   1          HB1       ALA   1  -1.958  -1.012  -0.439
    6   2HB   ALA   1          HB2       ALA   1  -1.931  -2.727  -0.885
    7   3HB   ALA   1          HB3       ALA   1  -3.361  -2.055  -0.038
    8    H    SER   2           HN       SER   2  -1.395   0.237   1.694
    9    HA   SER   2           HA       SER   2  -2.571   0.124   4.385
   10   1HB   SER   2          HB3       SER   2  -0.637   2.212   3.210
   11   2HB   SER   2          HB2       SER   2  -1.323   2.193   4.887
   12    HG   SER   2           HG       SER   2   0.791   1.252   4.731
   13    H    CYS   3           HN       CYS   3  -4.195   1.611   4.942
   14    HA   CYS   3           HA       CYS   3  -5.253   3.448   2.878
   15   1HB   CYS   3          HB2       CYS   3  -7.658   2.446   3.265
   16   2HB   CYS   3          HB3       CYS   3  -6.482   1.472   2.382
   17    H    ARG   4           HN       ARG   4  -7.411   4.466   4.074
   18    HA   ARG   4           HA       ARG   4  -6.703   5.128   6.880
   19   1HB   ARG   4          HB2       ARG   4  -8.145   7.194   5.061
   20   2HB   ARG   4          HB3       ARG   4  -7.567   7.311   6.707
   21   1HG   ARG   4          HG3       ARG   4  -5.901   8.507   5.643
   22   2HG   ARG   4          HG2       ARG   4  -5.204   6.871   5.953
   23   1HD   ARG   4          HD2       ARG   4  -5.485   6.336   3.468
   24   2HD   ARG   4          HD3       ARG   4  -5.979   8.064   3.167
   25    HE   ARG   4           HE       ARG   4  -3.669   8.242   4.714
   26   1HH1  ARG   4          HH1       ARG   4  -4.372   6.733   1.604
   27   2HH1  ARG   4          HH1       ARG   4  -2.690   6.456   1.278
   28   1HH2  ARG   4          HH2       ARG   4  -1.567   8.267   3.946
   29   2HH2  ARG   4          HH2       ARG   4  -1.175   7.533   2.421
   30    H    THR   5           HN       THR   5  -9.279   5.271   4.373
   31    HA   THR   5           HA       THR   5 -11.138   3.779   6.058
   32    HB   THR   5           HB       THR   5 -12.970   4.984   4.835
   33    HG1  THR   5           HG1      THR   5 -12.300   6.976   3.843
   34   1HG2  THR   5          HG2       THR   5 -12.721   7.156   6.062
   35   2HG2  THR   5          HG2       THR   5 -12.151   5.802   7.098
   36   3HG2  THR   5          HG2       THR   5 -10.956   6.871   6.280
   37    HA   PRO   6           HA       PRO   6 -10.839   0.830   2.729
   38   1HB   PRO   6          HB3       PRO   6 -13.929   0.842   2.554
   39   2HB   PRO   6          HB2       PRO   6 -12.816  -0.572   2.626
   40   1HG   PRO   6          HG3       PRO   6 -14.094   0.254   4.897
   41   2HG   PRO   6          HG2       PRO   6 -12.289   0.029   4.993
   42   1HD   PRO   6          HD2       PRO   6 -13.768   2.670   4.496
   43   2HD   PRO   6          HD3       PRO   6 -12.545   2.219   5.786
   44    H    LYS   7           HN       LYS   7 -12.565   3.673   1.854
   45    HA   LYS   7           HA       LYS   7 -12.917   3.226  -0.953
   46   1HB   LYS   7          HB3       LYS   7 -14.289   4.734   0.553
   47   2HB   LYS   7          HB2       LYS   7 -12.986   5.964   0.473
   48   1HG   LYS   7          HG3       LYS   7 -14.324   4.757  -2.035
   49   2HG   LYS   7          HG2       LYS   7 -15.188   5.957  -1.027
   50   1HD   LYS   7          HD3       LYS   7 -13.426   7.644  -1.343
   51   2HD   LYS   7          HD2       LYS   7 -12.491   6.519  -2.383
   52   1HE   LYS   7          HE3       LYS   7 -15.320   7.602  -3.003
   53   2HE   LYS   7          HE2       LYS   7 -13.766   8.147  -3.763
   54   1HZ   LYS   7          HZ1       LYS   7 -13.455   5.918  -4.596
   55   2HZ   LYS   7          HZ2       LYS   7 -14.906   5.403  -3.880
   56   3HZ   LYS   7          HZ3       LYS   7 -14.936   6.564  -5.120
   57    H    ASP   8           HN       ASP   8 -10.055   4.040   0.947
   58    HA   ASP   8           HA       ASP   8  -8.658   5.325  -1.256
   59   1HB   ASP   8          HB3       ASP   8  -7.600   4.401   1.503
   60   2HB   ASP   8          HB2       ASP   8  -6.768   5.493   0.329
   61    H    CYS   9           HN       CYS   9  -9.381   2.018  -0.601
   62    HA   CYS   9           HA       CYS   9  -6.729   1.142  -1.555
   63   1HB   CYS   9          HB3       CYS   9  -7.780   0.500   0.740
   64   2HB   CYS   9          HB2       CYS   9  -8.716  -0.708  -0.164
   65    H    ALA  10           HN       ALA  10  -9.640   1.864  -2.883
   66    HA   ALA  10           HA       ALA  10 -10.328  -0.259  -4.455
   67   1HB   ALA  10          HB1       ALA  10 -11.739   1.725  -3.973
   68   2HB   ALA  10          HB2       ALA  10 -10.692   2.753  -5.009
   69   3HB   ALA  10          HB3       ALA  10 -11.683   1.423  -5.732
   70    H    ASP  11           HN       ASP  11  -7.850   2.117  -5.131
   71    HA   ASP  11           HA       ASP  11  -7.252   1.094  -7.788
   72   1HB   ASP  11          HB2       ASP  11  -5.832   3.300  -6.188
   73   2HB   ASP  11          HB3       ASP  11  -5.509   2.871  -7.911
   74    HA   PRO  12           HA       PRO  12  -3.319  -0.746  -5.692
   75   1HB   PRO  12          HB3       PRO  12  -3.266  -1.069  -2.868
   76   2HB   PRO  12          HB2       PRO  12  -2.537   0.306  -3.767
   77   1HG   PRO  12          HG3       PRO  12  -5.301   0.062  -2.577
   78   2HG   PRO  12          HG2       PRO  12  -4.151   1.405  -2.242
   79   1HD   PRO  12          HD2       PRO  12  -6.101   1.791  -4.039
   80   2HD   PRO  12          HD3       PRO  12  -4.411   2.242  -4.544
   81    H    CYS  13           HN       CYS  13  -6.595  -1.441  -4.282
   82    HA   CYS  13           HA       CYS  13  -6.093  -4.322  -4.294
   83   1HB   CYS  13          HB2       CYS  13  -7.479  -3.326  -2.559
   84   2HB   CYS  13          HB3       CYS  13  -8.685  -2.825  -3.768
   85    H    ARG  14           HN       ARG  14  -7.628  -2.015  -6.629
   86    HA   ARG  14           HA       ARG  14  -8.395  -4.055  -8.558
   87   1HB   ARG  14          HB3       ARG  14  -9.605  -2.056  -8.456
   88   2HB   ARG  14          HB2       ARG  14  -8.151  -1.033  -8.753
   89   1HG   ARG  14          HG3       ARG  14  -7.988  -1.788 -11.055
   90   2HG   ARG  14          HG2       ARG  14  -9.176  -3.092 -10.754
   91   1HD   ARG  14          HD3       ARG  14  -9.907  -0.861 -12.140
   92   2HD   ARG  14          HD2       ARG  14 -11.074  -1.796 -11.147
   93    HE   ARG  14           HE       ARG  14  -9.534   0.157  -9.603
   94   1HH1  ARG  14          HH1       ARG  14 -12.456   0.326 -11.455
   95   2HH1  ARG  14          HH1       ARG  14 -13.382   0.854 -10.105
   96   1HH2  ARG  14          HH2       ARG  14 -10.726   0.531  -7.884
   97   2HH2  ARG  14          HH2       ARG  14 -12.377   1.031  -8.071
   98    H    LYS  15           HN       LYS  15  -5.504  -1.949  -8.081
   99    HA   LYS  15           HA       LYS  15  -4.235  -2.656 -10.496
  100   1HB   LYS  15          HB3       LYS  15  -3.905  -0.566  -9.112
  101   2HB   LYS  15          HB2       LYS  15  -2.971  -1.508  -7.916
  102   1HG   LYS  15          HG2       LYS  15  -1.266  -1.995  -9.738
  103   2HG   LYS  15          HG3       LYS  15  -2.278  -1.041 -10.891
  104   1HD   LYS  15          HD3       LYS  15  -2.074   0.962  -9.545
  105   2HD   LYS  15          HD2       LYS  15  -1.089   0.090  -8.308
  106   1HE   LYS  15          HE3       LYS  15   0.718  -0.303 -10.019
  107   2HE   LYS  15          HE2       LYS  15  -0.260   0.594 -11.252
  108   1HZ   LYS  15          HZ1       LYS  15  -0.169   2.530  -9.829
  109   2HZ   LYS  15          HZ2       LYS  15   0.748   1.687  -8.675
  110   3HZ   LYS  15          HZ3       LYS  15   1.390   1.981 -10.218
  111    H    GLU  16           HN       GLU  16  -4.172  -4.075  -7.254
  112    HA   GLU  16           HA       GLU  16  -2.101  -6.036  -8.026
  113   1HB   GLU  16          HB3       GLU  16  -1.742  -6.759  -5.783
  114   2HB   GLU  16          HB2       GLU  16  -1.783  -4.989  -5.718
  115   1HG   GLU  16          HG3       GLU  16  -4.387  -5.473  -5.119
  116   2HG   GLU  16          HG2       GLU  16  -3.750  -7.109  -4.714
  117    H    THR  17           HN       THR  17  -5.665  -6.164  -7.108
  118    HA   THR  17           HA       THR  17  -5.631  -8.926  -8.147
  119    HB   THR  17           HB       THR  17  -7.707  -9.376  -7.120
  120    HG1  THR  17           HG1      THR  17  -7.655  -6.670  -6.127
  121   1HG2  THR  17          HG2       THR  17  -5.869  -7.963  -5.072
  122   2HG2  THR  17          HG2       THR  17  -7.018  -9.281  -4.771
  123   3HG2  THR  17          HG2       THR  17  -5.562  -9.592  -5.785
  124    H    GLY  18           HN       GLY  18  -8.327  -6.814  -8.104
  125   1HA   GLY  18          HA1       GLY  18  -8.318  -5.587 -10.576
  126   2HA   GLY  18          HA2       GLY  18  -9.094  -7.178 -10.832
  127    H    CYS  19           HN       CYS  19 -10.047  -6.989  -7.852
  128    HA   CYS  19           HA       CYS  19 -12.347  -5.216  -8.520
  129   1HB   CYS  19          HB2       CYS  19 -12.216  -7.901  -7.181
  130   2HB   CYS  19          HB3       CYS  19 -13.587  -6.785  -6.844
  131    HA   PRO  20           HA       PRO  20 -10.909  -2.795  -4.991
  132   1HB   PRO  20          HB3       PRO  20 -13.054  -0.939  -4.859
  133   2HB   PRO  20          HB2       PRO  20 -11.908  -0.998  -6.244
  134   1HG   PRO  20          HG3       PRO  20 -14.546  -2.207  -6.054
  135   2HG   PRO  20          HG2       PRO  20 -13.914  -1.167  -7.393
  136   1HD   PRO  20          HD3       PRO  20 -13.893  -3.917  -7.626
  137   2HD   PRO  20          HD2       PRO  20 -12.478  -2.898  -8.200
  138    H    TYR  21           HN       TYR  21 -11.445  -5.047  -3.917
  139    HA   TYR  21           HA       TYR  21 -13.481  -4.769  -1.759
  140   1HB   TYR  21          HB3       TYR  21 -12.503  -7.218  -3.437
  141   2HB   TYR  21          HB2       TYR  21 -12.928  -7.511  -1.763
  142    HD1  TYR  21           HD1      TYR  21 -14.289  -6.085  -4.904
  143    HD2  TYR  21           HD2      TYR  21 -15.095  -7.264  -0.855
  144    HE1  TYR  21           HE1      TYR  21 -16.717  -5.832  -5.324
  145    HE2  TYR  21           HE2      TYR  21 -17.522  -7.009  -1.253
  146    HH   TYR  21           HH       TYR  21 -18.744  -5.815  -4.400
  147    H    GLY  22           HN       GLY  22 -11.517  -3.255  -1.107
  148   1HA   GLY  22          HA1       GLY  22  -9.693  -4.907   0.657
  149   2HA   GLY  22          HA2       GLY  22  -9.236  -3.378  -0.053
  150    H    LYS  23           HN       LYS  23 -10.660  -4.953   2.696
  151    HA   LYS  23           HA       LYS  23 -12.000  -2.622   3.733
  152   1HB   LYS  23          HB2       LYS  23 -13.076  -4.871   4.012
  153   2HB   LYS  23          HB3       LYS  23 -11.671  -5.413   4.994
  154   1HG   LYS  23          HG2       LYS  23 -13.591  -4.868   6.392
  155   2HG   LYS  23          HG3       LYS  23 -12.320  -3.660   6.743
  156   1HD   LYS  23          HD2       LYS  23 -13.513  -2.036   5.185
  157   2HD   LYS  23          HD3       LYS  23 -14.808  -3.253   4.957
  158   1HE   LYS  23          HE2       LYS  23 -15.398  -3.096   7.387
  159   2HE   LYS  23          HE3       LYS  23 -14.036  -1.934   7.653
  160   1HZ   LYS  23          HZ1       LYS  23 -16.361  -1.511   5.843
  161   2HZ   LYS  23          HZ2       LYS  23 -16.123  -0.808   7.371
  162   3HZ   LYS  23          HZ3       LYS  23 -15.074  -0.430   6.090
  163    H    CYS  24           HN       CYS  24 -11.357  -1.520   5.497
  164    HA   CYS  24           HA       CYS  24  -8.479  -1.543   6.073
  165   1HB   CYS  24          HB3       CYS  24  -9.955   0.412   4.947
  166   2HB   CYS  24          HB2       CYS  24 -10.327   0.866   6.603
  167    H    MET  25           HN       MET  25  -7.906  -2.401   7.969
  168    HA   MET  25           HA       MET  25  -9.396  -1.621  10.416
  169   1HB   MET  25          HB3       MET  25  -8.384  -4.472   9.769
  170   2HB   MET  25          HB2       MET  25  -8.943  -3.943  11.383
  171   1HG   MET  25          HG2       MET  25 -10.683  -4.098   8.860
  172   2HG   MET  25          HG3       MET  25 -10.610  -5.286  10.194
  173   1HE   MET  25          HE1       MET  25 -13.112  -5.337  10.504
  174   2HE   MET  25          HE2       MET  25 -14.182  -3.909  10.696
  175   3HE   MET  25          HE3       MET  25 -13.312  -4.178   9.145
  176    H    ASN  26           HN       ASN  26  -7.956  -0.534  11.678
  177    HA   ASN  26           HA       ASN  26  -6.139   0.421  12.370
  178   1HB   ASN  26          HB2       ASN  26  -5.843  -2.186  12.973
  179   2HB   ASN  26          HB3       ASN  26  -4.341  -2.054  12.019
  180   1HD2  ASN  26          HD2       ASN  26  -3.546   0.664  12.933
  181   2HD2  ASN  26          HD2       ASN  26  -3.334   0.524  14.681
  182    H    ARG  27           HN       ARG  27  -6.574   0.717   9.529
  183    HA   ARG  27           HA       ARG  27  -5.839   1.836   7.847
  184   1HB   ARG  27          HB2       ARG  27  -3.359   2.314   9.374
  185   2HB   ARG  27          HB3       ARG  27  -3.716   3.112   7.820
  186   1HG   ARG  27          HG3       ARG  27  -5.823   4.069   8.686
  187   2HG   ARG  27          HG2       ARG  27  -5.573   3.294  10.278
  188   1HD   ARG  27          HD2       ARG  27  -4.308   5.005  11.057
  189   2HD   ARG  27          HD3       ARG  27  -3.176   4.829   9.674
  190    HE   ARG  27           HE       ARG  27  -4.194   6.625   8.608
  191   1HH1  ARG  27          HH1       ARG  27  -6.483   5.538  10.976
  192   2HH1  ARG  27          HH1       ARG  27  -7.371   7.035  10.980
  193   1HH2  ARG  27          HH2       ARG  27  -5.315   8.501   8.590
  194   2HH2  ARG  27          HH2       ARG  27  -6.642   8.740   9.684
  195    H    LYS  28           HN       LYS  28  -5.321  -1.189   8.073
  196    HA   LYS  28           HA       LYS  28  -3.475  -1.436   5.763
  197   1HB   LYS  28          HB2       LYS  28  -4.014  -3.447   8.053
  198   2HB   LYS  28          HB3       LYS  28  -3.012  -3.776   6.598
  199   1HG   LYS  28          HG2       LYS  28  -1.496  -1.878   7.223
  200   2HG   LYS  28          HG3       LYS  28  -2.402  -1.682   8.759
  201   1HD   LYS  28          HD2       LYS  28  -1.930  -4.046   9.379
  202   2HD   LYS  28          HD3       LYS  28  -0.946  -4.255   7.888
  203   1HE   LYS  28          HE2       LYS  28  -0.350  -2.235  10.160
  204   2HE   LYS  28          HE3       LYS  28   0.504  -3.808   9.876
  205   1HZ   LYS  28          HZ1       LYS  28   0.384  -1.519   7.985
  206   2HZ   LYS  28          HZ2       LYS  28   1.700  -1.954   8.968
  207   3HZ   LYS  28          HZ3       LYS  28   1.186  -2.994   7.727
  208    H    CYS  29           HN       CYS  29  -4.155  -2.553   3.971
  209    HA   CYS  29           HA       CYS  29  -7.020  -3.157   3.803
  210   1HB   CYS  29          HB2       CYS  29  -4.970  -3.370   1.499
  211   2HB   CYS  29          HB3       CYS  29  -6.758  -3.340   1.398
  212    H    LYS  30           HN       LYS  30  -7.867  -5.130   3.852
  213    HA   LYS  30           HA       LYS  30  -6.229  -7.507   3.160
  214   1HB   LYS  30          HB2       LYS  30  -8.921  -7.422   4.673
  215   2HB   LYS  30          HB3       LYS  30  -7.889  -8.849   4.312
  216   1HG   LYS  30          HG2       LYS  30  -7.153  -8.504   6.453
  217   2HG   LYS  30          HG3       LYS  30  -6.025  -7.399   5.611
  218   1HD   LYS  30          HD2       LYS  30  -6.784  -6.163   7.470
  219   2HD   LYS  30          HD3       LYS  30  -7.783  -5.513   6.136
  220   1HE   LYS  30          HE3       LYS  30  -9.209  -5.826   8.073
  221   2HE   LYS  30          HE2       LYS  30  -9.664  -7.134   6.913
  222   1HZ   LYS  30          HZ1       LYS  30  -9.440  -7.941   9.151
  223   2HZ   LYS  30          HZ2       LYS  30  -8.244  -8.632   8.162
  224   3HZ   LYS  30          HZ3       LYS  30  -7.835  -7.394   9.249
  225    H    CYS  31           HN       CYS  31  -6.315  -7.551   0.953
  226    HA   CYS  31           HA       CYS  31  -8.619  -6.651  -0.527
  227   1HB   CYS  31          HB2       CYS  31  -6.386  -6.096  -1.210
  228   2HB   CYS  31          HB3       CYS  31  -6.005  -7.796  -1.593
  229    H    ASN  32           HN       ASN  32 -10.258  -7.753  -0.916
  230    HA   ASN  32           HA       ASN  32 -10.314 -10.722  -1.120
  231   1HB   ASN  32          HB3       ASN  32 -12.394  -8.622  -0.147
  232   2HB   ASN  32          HB2       ASN  32 -12.816 -10.363  -0.367
  233   1HD2  ASN  32          HD2       ASN  32 -10.519  -8.382   1.701
  234   2HD2  ASN  32          HD2       ASN  32 -10.677  -9.647   2.902
  235    H    ARG  33           HN       ARG  33 -13.083 -10.517  -2.616
  236    HA   ARG  33           HA       ARG  33 -12.238  -9.361  -5.125
  237   1HB   ARG  33          HB3       ARG  33 -11.731 -12.060  -4.548
  238   2HB   ARG  33          HB2       ARG  33 -13.325 -12.245  -5.264
  239   1HG   ARG  33          HG2       ARG  33 -11.543 -12.604  -6.852
  240   2HG   ARG  33          HG3       ARG  33 -12.460 -11.167  -7.402
  241   1HD   ARG  33          HD2       ARG  33  -9.834 -11.042  -7.618
  242   2HD   ARG  33          HD3       ARG  33 -10.627  -9.680  -6.755
  243    HE   ARG  33           HE       ARG  33  -9.795 -10.365  -4.689
  244   1HH1  ARG  33          HH1       ARG  33  -9.248 -13.044  -6.908
  245   2HH1  ARG  33          HH1       ARG  33  -8.147 -13.905  -5.846
  246   1HH2  ARG  33          HH2       ARG  33  -8.169 -11.275  -3.576
  247   2HH2  ARG  33          HH2       ARG  33  -7.476 -12.834  -3.966
  248    H    CYS  34           HN       CYS  34 -14.022  -9.625  -6.749
  249    HA   CYS  34           HA       CYS  34 -16.598  -8.873  -5.681
  250   1HB   CYS  34          HB2       CYS  34 -17.013  -8.723  -8.283
  251   2HB   CYS  34          HB3       CYS  34 -15.910  -7.553  -7.507
  252   1HN   NH2  35          HT1       CYS  34 -16.605 -11.246  -4.663
  253   2HN   NH2  35          HT2       CYS  34 -17.460 -12.418  -5.659
  Start of MODEL    8
    1   2H    ALA   1          HN2       ALA   1  -0.325  -2.250   2.886
    2    H    ALA   1           HN       ALA   1   0.476  -0.881   3.483
    3   3H    ALA   1          HN3       ALA   1  -1.189  -1.026   3.717
    4    HA   ALA   1           HA       ALA   1   0.233  -0.400   1.199
    5   1HB   ALA   1          HB1       ALA   1  -1.570  -2.196   0.836
    6   2HB   ALA   1          HB2       ALA   1  -2.801  -1.076   1.510
    7   3HB   ALA   1          HB3       ALA   1  -1.943  -0.729  -0.045
    8    H    SER   2           HN       SER   2  -2.155   1.549   0.778
    9    HA   SER   2           HA       SER   2  -1.958   3.227   3.165
   10   1HB   SER   2          HB3       SER   2  -1.327   4.164   0.310
   11   2HB   SER   2          HB2       SER   2  -1.727   5.278   1.681
   12    HG   SER   2           HG       SER   2   0.534   4.858   1.356
   13    H    CYS   3           HN       CYS   3  -4.067   3.211   3.814
   14    HA   CYS   3           HA       CYS   3  -6.138   4.236   2.198
   15   1HB   CYS   3          HB2       CYS   3  -7.773   2.351   2.635
   16   2HB   CYS   3          HB3       CYS   3  -6.453   1.890   1.536
   17    H    ARG   4           HN       ARG   4  -8.006   4.582   3.890
   18    HA   ARG   4           HA       ARG   4  -6.916   4.847   6.654
   19   1HB   ARG   4          HB2       ARG   4  -8.410   6.948   4.984
   20   2HB   ARG   4          HB3       ARG   4  -8.354   7.002   6.778
   21   1HG   ARG   4          HG3       ARG   4  -5.982   7.106   6.894
   22   2HG   ARG   4          HG2       ARG   4  -5.782   7.012   5.115
   23   1HD   ARG   4          HD3       ARG   4  -5.439   9.309   6.149
   24   2HD   ARG   4          HD2       ARG   4  -6.695   9.348   4.854
   25    HE   ARG   4           HE       ARG   4  -7.766   8.801   7.574
   26   1HH1  ARG   4          HH2       ARG   4  -6.579  11.465   5.650
   27   2HH1  ARG   4          HH2       ARG   4  -7.596  12.615   6.465
   28   1HH2  ARG   4          HH1       ARG   4  -9.246  10.198   8.298
   29   2HH2  ARG   4          HH1       ARG   4  -9.057  11.901   8.017
   30    H    THR   5           HN       THR   5  -9.935   5.200   4.678
   31    HA   THR   5           HA       THR   5 -11.344   3.424   6.531
   32    HB   THR   5           HB       THR   5 -13.430   4.379   5.566
   33    HG1  THR   5           HG1      THR   5 -12.850   6.581   4.621
   34   1HG2  THR   5          HG2       THR   5 -12.415   5.302   7.711
   35   2HG2  THR   5          HG2       THR   5 -11.515   6.533   6.764
   36   3HG2  THR   5          HG2       THR   5 -13.307   6.546   6.777
   37    HA   PRO   6           HA       PRO   6 -11.264   0.304   3.387
   38   1HB   PRO   6          HB3       PRO   6 -14.334   0.196   3.716
   39   2HB   PRO   6          HB2       PRO   6 -13.180  -1.175   3.557
   40   1HG   PRO   6          HG2       PRO   6 -13.930  -0.460   6.073
   41   2HG   PRO   6          HG3       PRO   6 -12.128  -0.455   5.754
   42   1HD   PRO   6          HD3       PRO   6 -13.975   1.985   5.551
   43   2HD   PRO   6          HD2       PRO   6 -12.485   1.713   6.583
   44    H    LYS   7           HN       LYS   7 -13.466   2.927   2.545
   45    HA   LYS   7           HA       LYS   7 -13.898   2.121  -0.195
   46   1HB   LYS   7          HB3       LYS   7 -14.477   4.788   1.193
   47   2HB   LYS   7          HB2       LYS   7 -15.085   4.244  -0.415
   48   1HG   LYS   7          HG3       LYS   7 -16.263   2.330   0.670
   49   2HG   LYS   7          HG2       LYS   7 -15.662   2.862   2.274
   50   1HD   LYS   7          HD3       LYS   7 -16.833   5.084   1.943
   51   2HD   LYS   7          HD2       LYS   7 -17.531   4.432   0.419
   52   1HE   LYS   7          HE3       LYS   7 -19.188   4.208   2.255
   53   2HE   LYS   7          HE2       LYS   7 -18.608   2.556   1.785
   54   1HZ   LYS   7          HZ1       LYS   7 -18.686   2.854   4.156
   55   2HZ   LYS   7          HZ2       LYS   7 -17.081   2.635   3.645
   56   3HZ   LYS   7          HZ3       LYS   7 -17.631   4.181   4.079
   57    H    ASP   8           HN       ASP   8 -10.968   3.221   1.215
   58    HA   ASP   8           HA       ASP   8 -10.190   4.834  -1.107
   59   1HB   ASP   8          HB3       ASP   8  -8.780   4.377   1.597
   60   2HB   ASP   8          HB2       ASP   8  -8.215   5.461   0.260
   61    H    CYS   9           HN       CYS   9 -10.100   1.431  -0.169
   62    HA   CYS   9           HA       CYS   9  -7.459   1.082  -1.329
   63   1HB   CYS   9          HB3       CYS   9  -8.248  -0.189   0.823
   64   2HB   CYS   9          HB2       CYS   9  -9.054  -1.290  -0.287
   65    H    ALA  10           HN       ALA  10  -9.111   2.115  -3.092
   66    HA   ALA  10           HA       ALA  10 -10.038   0.113  -5.011
   67   1HB   ALA  10          HB1       ALA  10 -10.744   2.032  -6.418
   68   2HB   ALA  10          HB2       ALA  10 -11.331   2.185  -4.735
   69   3HB   ALA  10          HB3       ALA  10  -9.936   3.182  -5.279
   70    H    ASP  11           HN       ASP  11  -7.484   2.766  -5.156
   71    HA   ASP  11           HA       ASP  11  -6.257   1.547  -7.402
   72   1HB   ASP  11          HB3       ASP  11  -6.488   4.045  -6.851
   73   2HB   ASP  11          HB2       ASP  11  -5.124   3.851  -5.698
   74    HA   PRO  12           HA       PRO  12  -2.839   0.011  -4.426
   75   1HB   PRO  12          HB3       PRO  12  -4.033  -0.238  -1.649
   76   2HB   PRO  12          HB2       PRO  12  -2.471   0.489  -2.168
   77   1HG   PRO  12          HG2       PRO  12  -4.709   1.896  -1.287
   78   2HG   PRO  12          HG3       PRO  12  -3.478   2.600  -2.428
   79   1HD   PRO  12          HD3       PRO  12  -6.199   1.376  -3.065
   80   2HD   PRO  12          HD2       PRO  12  -5.420   2.868  -3.758
   81    H    CYS  13           HN       CYS  13  -6.278  -1.040  -3.877
   82    HA   CYS  13           HA       CYS  13  -5.418  -3.811  -3.642
   83   1HB   CYS  13          HB2       CYS  13  -7.418  -3.136  -2.343
   84   2HB   CYS  13          HB3       CYS  13  -8.271  -2.811  -3.881
   85    H    ARG  14           HN       ARG  14  -6.362  -1.641  -6.325
   86    HA   ARG  14           HA       ARG  14  -7.080  -3.480  -8.250
   87   1HB   ARG  14          HB3       ARG  14  -7.487  -1.184  -8.487
   88   2HB   ARG  14          HB2       ARG  14  -5.738  -0.750  -8.521
   89   1HG   ARG  14          HG3       ARG  14  -5.505  -1.907 -10.702
   90   2HG   ARG  14          HG2       ARG  14  -7.156  -2.596 -10.533
   91   1HD   ARG  14          HD2       ARG  14  -6.518   0.382 -11.199
   92   2HD   ARG  14          HD3       ARG  14  -7.248  -0.905 -12.247
   93    HE   ARG  14           HE       ARG  14  -8.761  -0.495  -9.738
   94   1HH1  ARG  14          HH1       ARG  14  -8.420   0.717 -13.022
   95   2HH1  ARG  14          HH1       ARG  14  -9.881   1.625 -12.897
   96   1HH2  ARG  14          HH2       ARG  14 -10.747   0.529  -9.788
   97   2HH2  ARG  14          HH2       ARG  14 -11.120   1.584 -11.106
   98    H    LYS  15           HN       LYS  15  -3.913  -2.991  -6.943
   99    HA   LYS  15           HA       LYS  15  -2.528  -4.216  -9.172
  100   1HB   LYS  15          HB2       LYS  15  -1.511  -2.343  -7.961
  101   2HB   LYS  15          HB3       LYS  15  -1.575  -3.228  -6.407
  102   1HG   LYS  15          HG3       LYS  15   0.103  -4.830  -7.158
  103   2HG   LYS  15          HG2       LYS  15   0.045  -4.227  -8.846
  104   1HD   LYS  15          HD3       LYS  15   0.948  -2.510  -6.441
  105   2HD   LYS  15          HD2       LYS  15   2.054  -3.555  -7.398
  106   1HE   LYS  15          HE3       LYS  15   1.476  -2.281  -9.496
  107   2HE   LYS  15          HE2       LYS  15   0.474  -1.142  -8.507
  108   1HZ   LYS  15          HZ1       LYS  15   3.379  -1.693  -8.156
  109   2HZ   LYS  15          HZ2       LYS  15   2.689  -0.319  -8.877
  110   3HZ   LYS  15          HZ3       LYS  15   2.446  -0.623  -7.224
  111    H    GLU  16           HN       GLU  16  -4.046  -5.282  -6.130
  112    HA   GLU  16           HA       GLU  16  -2.808  -7.946  -6.376
  113   1HB   GLU  16          HB2       GLU  16  -3.192  -8.415  -3.989
  114   2HB   GLU  16          HB3       GLU  16  -2.174  -6.970  -4.261
  115   1HG   GLU  16          HG2       GLU  16  -4.365  -5.604  -3.990
  116   2HG   GLU  16          HG3       GLU  16  -5.113  -7.115  -3.367
  117    H    THR  17           HN       THR  17  -6.231  -6.738  -5.543
  118    HA   THR  17           HA       THR  17  -6.996  -9.416  -6.594
  119    HB   THR  17           HB       THR  17  -9.098  -9.446  -5.695
  120    HG1  THR  17           HG1      THR  17  -9.959  -7.894  -4.449
  121   1HG2  THR  17          HG2       THR  17  -8.543  -9.565  -3.319
  122   2HG2  THR  17          HG2       THR  17  -7.142 -10.150  -4.276
  123   3HG2  THR  17          HG2       THR  17  -7.102  -8.503  -3.543
  124    H    GLY  18           HN       GLY  18  -7.007  -6.102  -7.383
  125   1HA   GLY  18          HA1       GLY  18  -7.391  -5.195  -9.447
  126   2HA   GLY  18          HA2       GLY  18  -8.445  -6.553  -9.903
  127    H    CYS  19           HN       CYS  19  -9.649  -6.048  -7.136
  128    HA   CYS  19           HA       CYS  19 -11.817  -4.274  -8.109
  129   1HB   CYS  19          HB2       CYS  19 -11.683  -6.837  -6.419
  130   2HB   CYS  19          HB3       CYS  19 -13.171  -5.867  -6.413
  131    HA   PRO  20           HA       PRO  20 -11.406  -2.077  -4.101
  132   1HB   PRO  20          HB3       PRO  20 -13.501  -0.310  -4.322
  133   2HB   PRO  20          HB2       PRO  20 -12.186  -0.276  -5.531
  134   1HG   PRO  20          HG3       PRO  20 -14.839  -1.383  -5.920
  135   2HG   PRO  20          HG2       PRO  20 -13.791  -0.484  -7.097
  136   1HD   PRO  20          HD2       PRO  20 -14.039  -3.384  -6.866
  137   2HD   PRO  20          HD3       PRO  20 -12.787  -2.439  -7.819
  138    H    TYR  21           HN       TYR  21 -12.168  -4.645  -3.627
  139    HA   TYR  21           HA       TYR  21 -14.672  -4.547  -1.989
  140   1HB   TYR  21          HB2       TYR  21 -13.910  -6.437  -4.251
  141   2HB   TYR  21          HB3       TYR  21 -14.390  -7.348  -2.826
  142    HD1  TYR  21           HD1      TYR  21 -15.871  -4.048  -4.245
  143    HD2  TYR  21           HD2      TYR  21 -16.386  -8.206  -3.237
  144    HE1  TYR  21           HE1      TYR  21 -18.237  -3.908  -4.846
  145    HE2  TYR  21           HE2      TYR  21 -18.734  -8.072  -3.869
  146    HH   TYR  21           HH       TYR  21 -20.387  -6.761  -4.756
  147    H    GLY  22           HN       GLY  22 -12.764  -3.655  -0.568
  148   1HA   GLY  22          HA1       GLY  22 -11.838  -5.992   1.017
  149   2HA   GLY  22          HA2       GLY  22 -10.611  -4.740   0.412
  150    H    LYS  23           HN       LYS  23 -10.868  -5.556   3.109
  151    HA   LYS  23           HA       LYS  23 -12.125  -3.229   4.404
  152   1HB   LYS  23          HB2       LYS  23 -12.812  -5.471   5.182
  153   2HB   LYS  23          HB3       LYS  23 -11.124  -5.901   5.584
  154   1HG   LYS  23          HG2       LYS  23 -11.141  -4.182   7.425
  155   2HG   LYS  23          HG3       LYS  23 -12.801  -3.688   6.941
  156   1HD   LYS  23          HD3       LYS  23 -13.616  -6.011   7.323
  157   2HD   LYS  23          HD2       LYS  23 -11.975  -6.496   7.880
  158   1HE   LYS  23          HE2       LYS  23 -12.167  -4.923   9.824
  159   2HE   LYS  23          HE3       LYS  23 -13.780  -4.357   9.221
  160   1HZ   LYS  23          HZ1       LYS  23 -13.979  -6.017  10.925
  161   2HZ   LYS  23          HZ2       LYS  23 -14.589  -6.606   9.453
  162   3HZ   LYS  23          HZ3       LYS  23 -13.076  -7.136  10.018
  163    H    CYS  24           HN       CYS  24 -10.837  -2.008   5.904
  164    HA   CYS  24           HA       CYS  24  -7.929  -2.053   5.416
  165   1HB   CYS  24          HB2       CYS  24  -9.026  -0.379   3.965
  166   2HB   CYS  24          HB3       CYS  24  -9.862   0.298   5.389
  167    H    MET  25           HN       MET  25  -7.132  -2.672   7.304
  168    HA   MET  25           HA       MET  25  -8.071  -1.399   9.822
  169   1HB   MET  25          HB3       MET  25  -7.031  -4.286   9.456
  170   2HB   MET  25          HB2       MET  25  -7.277  -3.469  11.032
  171   1HG   MET  25          HG3       MET  25  -9.455  -4.229   9.005
  172   2HG   MET  25          HG2       MET  25  -9.089  -5.022  10.552
  173   1HE   MET  25          HE1       MET  25  -9.916  -4.426  12.782
  174   2HE   MET  25          HE2       MET  25  -8.719  -3.085  12.778
  175   3HE   MET  25          HE3       MET  25 -10.402  -2.784  13.314
  176    H    ASN  26           HN       ASN  26  -6.630   0.167  10.065
  177    HA   ASN  26           HA       ASN  26  -4.842   1.386  10.152
  178   1HB   ASN  26          HB2       ASN  26  -4.541  -0.404  12.015
  179   2HB   ASN  26          HB3       ASN  26  -3.159  -1.027  11.068
  180   1HD2  ASN  26          HD2       ASN  26  -1.263   0.586  10.929
  181   2HD2  ASN  26          HD2       ASN  26  -1.160   1.775  12.220
  182    H    ARG  27           HN       ARG  27  -5.225   0.755   7.534
  183    HA   ARG  27           HA       ARG  27  -4.342   1.235   5.596
  184   1HB   ARG  27          HB3       ARG  27  -1.536   1.188   6.758
  185   2HB   ARG  27          HB2       ARG  27  -1.961   1.767   5.119
  186   1HG   ARG  27          HG2       ARG  27  -2.819   3.781   5.862
  187   2HG   ARG  27          HG3       ARG  27  -3.321   3.138   7.456
  188   1HD   ARG  27          HD3       ARG  27  -1.341   4.709   7.622
  189   2HD   ARG  27          HD2       ARG  27  -1.027   3.025   8.267
  190    HE   ARG  27           HE       ARG  27  -0.379   3.108   5.452
  191   1HH1  ARG  27          HH1       ARG  27   0.960   4.251   8.501
  192   2HH1  ARG  27          HH1       ARG  27   2.589   4.088   7.941
  193   1HH2  ARG  27          HH2       ARG  27   1.579   2.985   4.773
  194   2HH2  ARG  27          HH2       ARG  27   2.952   3.363   5.791
  195    H    LYS  28           HN       LYS  28  -4.463  -1.691   6.781
  196    HA   LYS  28           HA       LYS  28  -2.927  -2.992   4.581
  197   1HB   LYS  28          HB2       LYS  28  -3.917  -4.259   7.218
  198   2HB   LYS  28          HB3       LYS  28  -3.010  -5.098   5.926
  199   1HG   LYS  28          HG3       LYS  28  -1.973  -2.944   7.863
  200   2HG   LYS  28          HG2       LYS  28  -1.522  -4.666   7.738
  201   1HD   LYS  28          HD2       LYS  28  -0.912  -2.424   5.730
  202   2HD   LYS  28          HD3       LYS  28   0.245  -3.156   6.865
  203   1HE   LYS  28          HE2       LYS  28   0.242  -5.303   5.651
  204   2HE   LYS  28          HE3       LYS  28  -1.074  -4.731   4.548
  205   1HZ   LYS  28          HZ1       LYS  28   1.070  -4.520   3.533
  206   2HZ   LYS  28          HZ2       LYS  28   0.373  -2.989   3.767
  207   3HZ   LYS  28          HZ3       LYS  28   1.626  -3.514   4.783
  208    H    CYS  29           HN       CYS  29  -4.102  -4.047   2.931
  209    HA   CYS  29           HA       CYS  29  -6.996  -3.781   3.118
  210   1HB   CYS  29          HB2       CYS  29  -5.268  -4.168   0.641
  211   2HB   CYS  29          HB3       CYS  29  -7.045  -3.930   0.679
  212    H    LYS  30           HN       LYS  30  -8.011  -5.442   3.814
  213    HA   LYS  30           HA       LYS  30  -7.238  -8.249   3.353
  214   1HB   LYS  30          HB2       LYS  30  -9.459  -6.906   5.024
  215   2HB   LYS  30          HB3       LYS  30  -9.155  -8.677   4.991
  216   1HG   LYS  30          HG2       LYS  30  -7.011  -8.343   6.162
  217   2HG   LYS  30          HG3       LYS  30  -7.077  -6.574   5.888
  218   1HD   LYS  30          HD2       LYS  30  -7.632  -6.938   8.169
  219   2HD   LYS  30          HD3       LYS  30  -9.086  -6.341   7.309
  220   1HE   LYS  30          HE3       LYS  30 -10.019  -8.707   7.287
  221   2HE   LYS  30          HE2       LYS  30  -8.538  -9.275   8.162
  222   1HZ   LYS  30          HZ1       LYS  30 -10.479  -7.233   9.126
  223   2HZ   LYS  30          HZ2       LYS  30 -10.365  -8.847   9.646
  224   3HZ   LYS  30          HZ3       LYS  30  -9.093  -7.762   9.953
  225    H    CYS  31           HN       CYS  31  -7.525  -8.030   1.079
  226    HA   CYS  31           HA       CYS  31 -10.070  -7.023   0.102
  227   1HB   CYS  31          HB3       CYS  31  -7.695  -6.080  -0.334
  228   2HB   CYS  31          HB2       CYS  31  -7.597  -7.333  -1.579
  229    H    ASN  32           HN       ASN  32 -11.510  -7.932  -1.139
  230    HA   ASN  32           HA       ASN  32 -11.311 -10.822  -1.641
  231   1HB   ASN  32          HB3       ASN  32 -13.881  -9.034  -1.562
  232   2HB   ASN  32          HB2       ASN  32 -13.750 -10.821  -1.308
  233   1HD2  ASN  32          HD2       ASN  32 -13.439  -7.714   0.192
  234   2HD2  ASN  32          HD2       ASN  32 -13.345  -8.383   1.830
  235    H    ARG  33           HN       ARG  33 -13.169 -11.285  -3.626
  236    HA   ARG  33           HA       ARG  33 -12.161  -9.880  -5.960
  237   1HB   ARG  33          HB2       ARG  33 -13.006 -11.872  -7.161
  238   2HB   ARG  33          HB3       ARG  33 -12.059 -12.316  -5.762
  239   1HG   ARG  33          HG2       ARG  33 -13.701 -13.891  -5.785
  240   2HG   ARG  33          HG3       ARG  33 -13.990 -12.912  -4.329
  241   1HD   ARG  33          HD3       ARG  33 -15.846 -12.751  -6.877
  242   2HD   ARG  33          HD2       ARG  33 -15.933 -13.963  -5.551
  243    HE   ARG  33           HE       ARG  33 -15.926 -11.055  -4.718
  244   1HH1  ARG  33          HH1       ARG  33 -18.035 -13.708  -5.718
  245   2HH1  ARG  33          HH1       ARG  33 -19.375 -13.091  -4.789
  246   1HH2  ARG  33          HH2       ARG  33 -17.592 -10.481  -3.479
  247   2HH2  ARG  33          HH2       ARG  33 -19.153 -11.247  -3.602
  248    H    CYS  34           HN       CYS  34 -13.631  -9.220  -7.655
  249    HA   CYS  34           HA       CYS  34 -16.439  -9.019  -7.074
  250   1HB   CYS  34          HB2       CYS  34 -16.735  -6.778  -7.701
  251   2HB   CYS  34          HB3       CYS  34 -15.418  -6.727  -6.509
  252   1HN   NH2  35          HT1       CYS  34 -17.566  -9.382  -9.194
  253   2HN   NH2  35          HT2       CYS  34 -16.619  -9.896 -10.563
  Start of MODEL    9
    1   2H    ALA   1          HN2       ALA   1  -1.811  -4.135   1.605
    2    H    ALA   1           HN       ALA   1  -3.269  -3.922   0.811
    3   3H    ALA   1          HN3       ALA   1  -1.874  -4.370  -0.095
    4    HA   ALA   1           HA       ALA   1  -0.833  -2.254   0.441
    5   1HB   ALA   1          HB1       ALA   1  -3.709  -1.963  -0.741
    6   2HB   ALA   1          HB2       ALA   1  -2.395  -0.760  -0.973
    7   3HB   ALA   1          HB3       ALA   1  -2.223  -2.394  -1.646
    8    H    SER   2           HN       SER   2  -1.496   0.236   1.189
    9    HA   SER   2           HA       SER   2  -2.634  -0.003   3.873
   10   1HB   SER   2          HB3       SER   2  -0.787   2.167   2.703
   11   2HB   SER   2          HB2       SER   2  -1.330   2.003   4.425
   12    HG   SER   2           HG       SER   2   0.789   1.114   3.954
   13    H    CYS   3           HN       CYS   3  -4.079   1.753   4.657
   14    HA   CYS   3           HA       CYS   3  -5.425   3.361   2.551
   15   1HB   CYS   3          HB2       CYS   3  -7.710   2.531   3.585
   16   2HB   CYS   3          HB3       CYS   3  -6.770   1.420   2.586
   17    H    ARG   4           HN       ARG   4  -7.236   4.706   3.779
   18    HA   ARG   4           HA       ARG   4  -6.227   5.653   6.418
   19   1HB   ARG   4          HB2       ARG   4  -7.639   7.467   4.354
   20   2HB   ARG   4          HB3       ARG   4  -7.196   7.855   6.055
   21   1HG   ARG   4          HG3       ARG   4  -4.802   7.170   5.384
   22   2HG   ARG   4          HG2       ARG   4  -5.325   7.605   3.721
   23   1HD   ARG   4          HD3       ARG   4  -4.199   9.543   4.756
   24   2HD   ARG   4          HD2       ARG   4  -5.954   9.982   4.727
   25    HE   ARG   4           HE       ARG   4  -4.992   8.557   7.189
   26   1HH1  ARG   4          HH1       ARG   4  -5.300  11.739   5.785
   27   2HH1  ARG   4          HH1       ARG   4  -5.448  12.506   7.337
   28   1HH2  ARG   4          HH2       ARG   4  -5.328   9.529   9.095
   29   2HH2  ARG   4          HH2       ARG   4  -5.408  11.259   9.205
   30    H    THR   5           HN       THR   5  -9.099   5.603   4.232
   31    HA   THR   5           HA       THR   5 -10.683   4.225   6.261
   32    HB   THR   5           HB       THR   5 -12.695   5.370   5.248
   33    HG1  THR   5           HG1      THR   5 -12.178   7.322   4.110
   34   1HG2  THR   5          HG2       THR   5 -10.537   7.282   6.404
   35   2HG2  THR   5          HG2       THR   5 -12.313   7.539   6.453
   36   3HG2  THR   5          HG2       THR   5 -11.576   6.196   7.398
   37    HA   PRO   6           HA       PRO   6 -10.610   1.189   3.098
   38   1HB   PRO   6          HB2       PRO   6 -13.605   0.655   3.152
   39   2HB   PRO   6          HB3       PRO   6 -12.236  -0.442   3.493
   40   1HG   PRO   6          HG2       PRO   6 -13.819   0.643   5.493
   41   2HG   PRO   6          HG3       PRO   6 -12.034   0.511   5.736
   42   1HD   PRO   6          HD2       PRO   6 -13.592   2.982   4.818
   43   2HD   PRO   6          HD3       PRO   6 -12.334   2.791   6.135
   44    H    LYS   7           HN       LYS   7 -12.582   3.867   2.108
   45    HA   LYS   7           HA       LYS   7 -12.936   3.023  -0.653
   46   1HB   LYS   7          HB3       LYS   7 -14.625   4.414   0.436
   47   2HB   LYS   7          HB2       LYS   7 -13.451   5.754   0.624
   48   1HG   LYS   7          HG3       LYS   7 -15.035   6.157  -1.187
   49   2HG   LYS   7          HG2       LYS   7 -13.368   6.069  -1.835
   50   1HD   LYS   7          HD3       LYS   7 -13.795   3.793  -2.739
   51   2HD   LYS   7          HD2       LYS   7 -15.422   3.768  -1.973
   52   1HE   LYS   7          HE3       LYS   7 -16.098   5.765  -3.399
   53   2HE   LYS   7          HE2       LYS   7 -14.489   5.697  -4.222
   54   1HZ   LYS   7          HZ1       LYS   7 -15.033   3.468  -4.954
   55   2HZ   LYS   7          HZ2       LYS   7 -16.541   3.541  -4.179
   56   3HZ   LYS   7          HZ3       LYS   7 -16.198   4.591  -5.469
   57    H    ASP   8           HN       ASP   8 -10.171   4.253   1.098
   58    HA   ASP   8           HA       ASP   8  -8.914   5.491  -1.219
   59   1HB   ASP   8          HB3       ASP   8  -7.904   4.731   1.607
   60   2HB   ASP   8          HB2       ASP   8  -6.905   5.603   0.383
   61    H    CYS   9           HN       CYS   9  -9.572   2.226  -0.425
   62    HA   CYS   9           HA       CYS   9  -6.910   1.319  -1.301
   63   1HB   CYS   9          HB2       CYS   9  -8.194   0.290   0.926
   64   2HB   CYS   9          HB3       CYS   9  -8.917  -0.694  -0.294
   65    H    ALA  10           HN       ALA  10 -10.085   1.681  -2.632
   66    HA   ALA  10           HA       ALA  10 -10.622  -0.505  -4.079
   67   1HB   ALA  10          HB1       ALA  10 -11.100   2.399  -4.978
   68   2HB   ALA  10          HB2       ALA  10 -12.078   0.962  -5.462
   69   3HB   ALA  10          HB3       ALA  10 -12.064   1.507  -3.758
   70    H    ASP  11           HN       ASP  11  -8.462   2.006  -5.200
   71    HA   ASP  11           HA       ASP  11  -7.803   0.792  -7.739
   72   1HB   ASP  11          HB2       ASP  11  -6.547   3.287  -6.458
   73   2HB   ASP  11          HB3       ASP  11  -6.321   2.725  -8.153
   74    HA   PRO  12           HA       PRO  12  -3.569  -0.315  -5.711
   75   1HB   PRO  12          HB3       PRO  12  -3.263  -0.263  -2.925
   76   2HB   PRO  12          HB2       PRO  12  -2.783   1.022  -4.077
   77   1HG   PRO  12          HG2       PRO  12  -5.337   0.701  -2.536
   78   2HG   PRO  12          HG3       PRO  12  -4.299   2.192  -2.596
   79   1HD   PRO  12          HD2       PRO  12  -6.551   2.010  -4.145
   80   2HD   PRO  12          HD3       PRO  12  -5.011   2.638  -4.884
   81    H    CYS  13           HN       CYS  13  -6.709  -1.326  -4.288
   82    HA   CYS  13           HA       CYS  13  -5.983  -4.086  -3.763
   83   1HB   CYS  13          HB3       CYS  13  -8.065  -2.533  -2.941
   84   2HB   CYS  13          HB2       CYS  13  -8.828  -3.106  -4.357
   85    H    ARG  14           HN       ARG  14  -7.694  -2.282  -6.422
   86    HA   ARG  14           HA       ARG  14  -8.081  -4.374  -8.276
   87   1HB   ARG  14          HB3       ARG  14  -9.392  -2.359  -8.208
   88   2HB   ARG  14          HB2       ARG  14  -7.966  -1.330  -8.574
   89   1HG   ARG  14          HG3       ARG  14  -7.869  -2.527 -10.897
   90   2HG   ARG  14          HG2       ARG  14  -9.309  -3.448 -10.348
   91   1HD   ARG  14          HD2       ARG  14  -9.225  -0.440 -11.091
   92   2HD   ARG  14          HD3       ARG  14 -10.028  -1.844 -11.896
   93    HE   ARG  14           HE       ARG  14 -10.740  -1.300  -9.019
   94   1HH1  ARG  14          HH1       ARG  14 -11.692  -1.104 -12.379
   95   2HH1  ARG  14          HH1       ARG  14 -13.260  -0.483 -11.992
   96   1HH2  ARG  14          HH2       ARG  14 -12.829  -0.388  -8.632
   97   2HH2  ARG  14          HH2       ARG  14 -13.951  -0.299  -9.940
   98    H    LYS  15           HN       LYS  15  -5.532  -1.928  -7.967
   99    HA   LYS  15           HA       LYS  15  -4.141  -2.543 -10.360
  100   1HB   LYS  15          HB3       LYS  15  -4.240  -0.352  -9.109
  101   2HB   LYS  15          HB2       LYS  15  -3.137  -1.023  -7.870
  102   1HG   LYS  15          HG3       LYS  15  -1.363  -1.280  -9.645
  103   2HG   LYS  15          HG2       LYS  15  -2.516  -0.655 -10.885
  104   1HD   LYS  15          HD3       LYS  15  -2.682   1.484  -9.505
  105   2HD   LYS  15          HD2       LYS  15  -1.424   0.787  -8.416
  106   1HE   LYS  15          HE3       LYS  15   0.213   0.720 -10.327
  107   2HE   LYS  15          HE2       LYS  15  -1.047   1.419 -11.425
  108   1HZ   LYS  15          HZ1       LYS  15   0.051   2.697  -8.972
  109   2HZ   LYS  15          HZ2       LYS  15   0.446   3.082 -10.579
  110   3HZ   LYS  15          HZ3       LYS  15  -1.129   3.354 -10.002
  111    H    GLU  16           HN       GLU  16  -3.957  -3.778  -7.119
  112    HA   GLU  16           HA       GLU  16  -1.553  -5.408  -7.695
  113   1HB   GLU  16          HB2       GLU  16  -1.277  -6.047  -5.405
  114   2HB   GLU  16          HB3       GLU  16  -1.577  -4.296  -5.378
  115   1HG   GLU  16          HG3       GLU  16  -4.101  -5.057  -4.927
  116   2HG   GLU  16          HG2       GLU  16  -3.409  -6.665  -4.571
  117    H    THR  17           HN       THR  17  -5.088  -6.047  -6.788
  118    HA   THR  17           HA       THR  17  -4.769  -8.524  -8.305
  119    HB   THR  17           HB       THR  17  -4.042  -9.003  -6.025
  120    HG1  THR  17           HG1      THR  17  -6.407 -10.241  -6.905
  121   1HG2  THR  17          HG2       THR  17  -5.602  -9.139  -4.171
  122   2HG2  THR  17          HG2       THR  17  -5.651  -7.453  -4.795
  123   3HG2  THR  17          HG2       THR  17  -6.987  -8.588  -5.169
  124    H    GLY  18           HN       GLY  18  -6.218  -6.348  -9.330
  125   1HA   GLY  18          HA1       GLY  18  -7.927  -6.163 -10.602
  126   2HA   GLY  18          HA2       GLY  18  -8.399  -7.808 -10.155
  127    H    CYS  19           HN       CYS  19  -9.194  -7.113  -7.432
  128    HA   CYS  19           HA       CYS  19 -11.880  -6.157  -8.217
  129   1HB   CYS  19          HB2       CYS  19 -10.866  -7.787  -5.846
  130   2HB   CYS  19          HB3       CYS  19 -12.575  -7.291  -6.013
  131    HA   PRO  20           HA       PRO  20 -11.628  -2.568  -5.376
  132   1HB   PRO  20          HB3       PRO  20 -14.114  -1.483  -5.783
  133   2HB   PRO  20          HB2       PRO  20 -13.035  -1.707  -7.195
  134   1HG   PRO  20          HG3       PRO  20 -15.149  -3.544  -6.379
  135   2HG   PRO  20          HG2       PRO  20 -14.953  -2.811  -8.011
  136   1HD   PRO  20          HD2       PRO  20 -13.910  -5.341  -7.414
  137   2HD   PRO  20          HD3       PRO  20 -13.030  -4.169  -8.503
  138    H    TYR  21           HN       TYR  21 -11.710  -4.911  -3.790
  139    HA   TYR  21           HA       TYR  21 -13.766  -4.167  -1.761
  140   1HB   TYR  21          HB3       TYR  21 -13.230  -7.094  -2.720
  141   2HB   TYR  21          HB2       TYR  21 -13.951  -6.665  -1.146
  142    HD1  TYR  21           HD1      TYR  21 -16.222  -6.440  -0.928
  143    HD2  TYR  21           HD2      TYR  21 -14.471  -6.229  -4.845
  144    HE1  TYR  21           HE1      TYR  21 -18.441  -6.742  -1.916
  145    HE2  TYR  21           HE2      TYR  21 -16.730  -6.456  -5.854
  146    HH   TYR  21           HH       TYR  21 -19.605  -7.060  -3.841
  147    H    GLY  22           HN       GLY  22 -12.065  -3.003  -0.607
  148   1HA   GLY  22          HA1       GLY  22 -10.239  -4.944   0.786
  149   2HA   GLY  22          HA2       GLY  22  -9.625  -3.374   0.222
  150    H    LYS  23           HN       LYS  23 -10.306  -4.678   3.051
  151    HA   LYS  23           HA       LYS  23 -11.971  -2.452   4.055
  152   1HB   LYS  23          HB3       LYS  23 -12.868  -4.816   4.389
  153   2HB   LYS  23          HB2       LYS  23 -11.491  -5.166   5.465
  154   1HG   LYS  23          HG3       LYS  23 -12.224  -3.438   7.062
  155   2HG   LYS  23          HG2       LYS  23 -13.583  -2.955   5.976
  156   1HD   LYS  23          HD3       LYS  23 -14.560  -5.201   6.109
  157   2HD   LYS  23          HD2       LYS  23 -13.239  -5.753   7.187
  158   1HE   LYS  23          HE2       LYS  23 -15.215  -3.472   7.882
  159   2HE   LYS  23          HE3       LYS  23 -15.378  -5.194   8.422
  160   1HZ   LYS  23          HZ1       LYS  23 -14.339  -3.832  10.077
  161   2HZ   LYS  23          HZ2       LYS  23 -13.255  -5.011   9.512
  162   3HZ   LYS  23          HZ3       LYS  23 -13.090  -3.396   9.012
  163    H    CYS  24           HN       CYS  24 -11.132  -1.145   5.587
  164    HA   CYS  24           HA       CYS  24  -8.243  -1.259   6.046
  165   1HB   CYS  24          HB3       CYS  24  -9.793   0.868   5.406
  166   2HB   CYS  24          HB2       CYS  24 -10.004   1.004   7.155
  167    H    MET  25           HN       MET  25  -7.747  -2.741   7.488
  168    HA   MET  25           HA       MET  25  -9.402  -3.068   9.965
  169   1HB   MET  25          HB3       MET  25  -7.536  -5.013   8.462
  170   2HB   MET  25          HB2       MET  25  -8.276  -5.383  10.051
  171   1HG   MET  25          HG2       MET  25 -10.558  -5.392   9.078
  172   2HG   MET  25          HG3       MET  25  -9.949  -5.032   7.444
  173   1HE   MET  25          HE1       MET  25 -11.038  -7.031   6.353
  174   2HE   MET  25          HE2       MET  25 -11.009  -8.694   7.021
  175   3HE   MET  25          HE3       MET  25 -11.804  -7.377   7.949
  176    H    ASN  26           HN       ASN  26  -8.101  -1.022   9.988
  177    HA   ASN  26           HA       ASN  26  -6.964   0.331  11.248
  178   1HB   ASN  26          HB3       ASN  26  -6.832  -1.290  13.117
  179   2HB   ASN  26          HB2       ASN  26  -5.220  -1.810  12.535
  180   1HD2  ASN  26          HD2       ASN  26  -3.484  -0.278  12.844
  181   2HD2  ASN  26          HD2       ASN  26  -3.659   1.071  13.945
  182    H    ARG  27           HN       ARG  27  -6.314   1.144   9.126
  183    HA   ARG  27           HA       ARG  27  -5.145   1.834   7.543
  184   1HB   ARG  27          HB3       ARG  27  -2.538   1.637   8.996
  185   2HB   ARG  27          HB2       ARG  27  -3.161   2.879   7.861
  186   1HG   ARG  27          HG2       ARG  27  -3.751   2.426  10.826
  187   2HG   ARG  27          HG3       ARG  27  -3.073   3.856  10.004
  188   1HD   ARG  27          HD3       ARG  27  -5.057   4.885  10.192
  189   2HD   ARG  27          HD2       ARG  27  -5.717   3.773   8.925
  190    HE   ARG  27           HE       ARG  27  -5.637   2.780  11.790
  191   1HH1  ARG  27          HH1       ARG  27  -7.895   4.182   9.323
  192   2HH1  ARG  27          HH1       ARG  27  -9.223   3.659  10.300
  193   1HH2  ARG  27          HH2       ARG  27  -7.302   2.138  12.758
  194   2HH2  ARG  27          HH2       ARG  27  -8.899   2.567  12.246
  195    H    LYS  28           HN       LYS  28  -4.625  -1.390   7.994
  196    HA   LYS  28           HA       LYS  28  -3.100  -1.765   5.492
  197   1HB   LYS  28          HB3       LYS  28  -2.306  -2.908   7.694
  198   2HB   LYS  28          HB2       LYS  28  -3.817  -3.862   7.651
  199   1HG   LYS  28          HG3       LYS  28  -2.128  -5.258   6.746
  200   2HG   LYS  28          HG2       LYS  28  -3.033  -4.721   5.302
  201   1HD   LYS  28          HD3       LYS  28  -1.150  -2.874   5.061
  202   2HD   LYS  28          HD2       LYS  28  -0.309  -3.758   6.380
  203   1HE   LYS  28          HE2       LYS  28   0.623  -4.489   4.232
  204   2HE   LYS  28          HE3       LYS  28  -0.358  -5.864   4.892
  205   1HZ   LYS  28          HZ1       LYS  28  -1.252  -3.864   2.869
  206   2HZ   LYS  28          HZ2       LYS  28  -0.782  -5.467   2.565
  207   3HZ   LYS  28          HZ3       LYS  28  -2.177  -5.150   3.479
  208    H    CYS  29           HN       CYS  29  -4.119  -2.737   3.728
  209    HA   CYS  29           HA       CYS  29  -7.011  -3.292   3.986
  210   1HB   CYS  29          HB2       CYS  29  -5.396  -3.289   1.350
  211   2HB   CYS  29          HB3       CYS  29  -7.179  -3.204   1.591
  212    H    LYS  30           HN       LYS  30  -7.682  -5.378   4.216
  213    HA   LYS  30           HA       LYS  30  -6.147  -7.579   2.938
  214   1HB   LYS  30          HB3       LYS  30  -8.543  -7.598   4.873
  215   2HB   LYS  30          HB2       LYS  30  -8.069  -9.029   3.905
  216   1HG   LYS  30          HG3       LYS  30  -7.235  -9.272   6.107
  217   2HG   LYS  30          HG2       LYS  30  -5.897  -9.207   4.915
  218   1HD   LYS  30          HD2       LYS  30  -5.401  -6.853   5.611
  219   2HD   LYS  30          HD3       LYS  30  -6.786  -6.879   6.753
  220   1HE   LYS  30          HE3       LYS  30  -4.260  -8.670   6.886
  221   2HE   LYS  30          HE2       LYS  30  -4.576  -7.201   7.901
  222   1HZ   LYS  30          HZ1       LYS  30  -5.090  -9.225   9.054
  223   2HZ   LYS  30          HZ2       LYS  30  -6.502  -8.312   8.807
  224   3HZ   LYS  30          HZ3       LYS  30  -6.205  -9.689   7.858
  225    H    CYS  31           HN       CYS  31  -6.583  -7.801   0.796
  226    HA   CYS  31           HA       CYS  31  -8.888  -6.580  -0.434
  227   1HB   CYS  31          HB3       CYS  31  -6.425  -6.485  -1.309
  228   2HB   CYS  31          HB2       CYS  31  -6.669  -8.156  -1.875
  229    H    ASN  32           HN       ASN  32 -10.630  -7.623  -1.330
  230    HA   ASN  32           HA       ASN  32 -10.968 -10.536  -0.964
  231   1HB   ASN  32          HB3       ASN  32 -13.260  -8.481  -0.553
  232   2HB   ASN  32          HB2       ASN  32 -13.135 -10.178   0.010
  233   1HD2  ASN  32          HD2       ASN  32 -11.743  -6.904   0.604
  234   2HD2  ASN  32          HD2       ASN  32 -11.218  -7.318   2.197
  235    H    ARG  33           HN       ARG  33 -13.211 -11.196  -2.266
  236    HA   ARG  33           HA       ARG  33 -12.493 -10.807  -5.011
  237   1HB   ARG  33          HB2       ARG  33 -13.649 -12.824  -5.414
  238   2HB   ARG  33          HB3       ARG  33 -12.792 -13.009  -3.866
  239   1HG   ARG  33          HG3       ARG  33 -15.857 -12.628  -4.229
  240   2HG   ARG  33          HG2       ARG  33 -14.955 -14.110  -3.847
  241   1HD   ARG  33          HD2       ARG  33 -16.033 -13.437  -1.823
  242   2HD   ARG  33          HD3       ARG  33 -14.273 -13.057  -1.587
  243    HE   ARG  33           HE       ARG  33 -15.560 -10.722  -2.748
  244   1HH1  ARG  33          HH1       ARG  33 -15.615 -12.489   0.291
  245   2HH1  ARG  33          HH1       ARG  33 -15.887 -11.041   1.224
  246   1HH2  ARG  33          HH2       ARG  33 -16.132  -9.038  -1.596
  247   2HH2  ARG  33          HH2       ARG  33 -16.291  -9.092   0.128
  248    H    CYS  34           HN       CYS  34 -13.771 -10.289  -6.786
  249    HA   CYS  34           HA       CYS  34 -16.334  -8.904  -6.311
  250   1HB   CYS  34          HB3       CYS  34 -15.764  -7.520  -8.270
  251   2HB   CYS  34          HB2       CYS  34 -14.637  -7.335  -6.901
  252   1HN   NH2  35          HT1       CYS  34 -16.376 -11.772  -6.756
  253   2HN   NH2  35          HT2       CYS  34 -17.030 -12.007  -8.362
  Start of MODEL   10
    1   2H    ALA   1          HN2       ALA   1  -0.542  -2.820   1.689
    2    H    ALA   1           HN       ALA   1   1.108  -2.522   1.428
    3   3H    ALA   1          HN3       ALA   1   0.437  -2.456   3.013
    4    HA   ALA   1           HA       ALA   1   0.849  -0.227   1.871
    5   1HB   ALA   1          HB1       ALA   1  -0.900   0.401   0.094
    6   2HB   ALA   1          HB2       ALA   1   0.024  -1.036  -0.403
    7   3HB   ALA   1          HB3       ALA   1  -1.631  -1.228   0.258
    8    H    SER   2           HN       SER   2  -0.849   1.683   2.308
    9    HA   SER   2           HA       SER   2  -2.275   1.051   4.778
   10   1HB   SER   2          HB3       SER   2  -1.231   3.722   3.659
   11   2HB   SER   2          HB2       SER   2  -2.038   3.501   5.256
   12    HG   SER   2           HG       SER   2  -0.332   2.453   5.991
   13    H    CYS   3           HN       CYS   3  -4.201   2.469   5.260
   14    HA   CYS   3           HA       CYS   3  -5.870   3.308   3.034
   15   1HB   CYS   3          HB2       CYS   3  -7.869   1.838   3.637
   16   2HB   CYS   3          HB3       CYS   3  -6.452   0.990   3.035
   17    H    ARG   4           HN       ARG   4  -8.180   3.898   4.236
   18    HA   ARG   4           HA       ARG   4  -7.753   5.375   6.737
   19   1HB   ARG   4          HB2       ARG   4  -8.471   6.631   4.025
   20   2HB   ARG   4          HB3       ARG   4  -9.028   7.368   5.570
   21   1HG   ARG   4          HG3       ARG   4  -6.867   7.664   6.450
   22   2HG   ARG   4          HG2       ARG   4  -6.066   6.833   5.082
   23   1HD   ARG   4          HD3       ARG   4  -5.892   9.399   5.206
   24   2HD   ARG   4          HD2       ARG   4  -6.393   8.736   3.597
   25    HE   ARG   4           HE       ARG   4  -8.698   9.278   5.343
   26   1HH1  ARG   4          HH1       ARG   4  -6.377  10.946   3.403
   27   2HH1  ARG   4          HH1       ARG   4  -7.528  12.076   2.751
   28   1HH2  ARG   4          HH2       ARG   4 -10.152  10.782   4.602
   29   2HH2  ARG   4          HH2       ARG   4  -9.627  12.072   3.556
   30    H    THR   5           HN       THR   5 -10.019   4.848   3.947
   31    HA   THR   5           HA       THR   5 -11.947   3.637   5.807
   32    HB   THR   5           HB       THR   5 -13.771   4.124   4.400
   33    HG1  THR   5           HG1      THR   5 -13.022   5.817   2.658
   34   1HG2  THR   5          HG2       THR   5 -12.116   6.767   4.628
   35   2HG2  THR   5          HG2       THR   5 -13.891   6.590   4.514
   36   3HG2  THR   5          HG2       THR   5 -13.028   5.980   5.959
   37    HA   PRO   6           HA       PRO   6 -10.813  -0.048   3.541
   38   1HB   PRO   6          HB2       PRO   6 -13.727  -0.919   3.302
   39   2HB   PRO   6          HB3       PRO   6 -12.348  -1.707   4.054
   40   1HG   PRO   6          HG3       PRO   6 -14.271  -0.491   5.586
   41   2HG   PRO   6          HG2       PRO   6 -12.516  -0.382   6.022
   42   1HD   PRO   6          HD2       PRO   6 -14.147   1.719   4.510
   43   2HD   PRO   6          HD3       PRO   6 -13.037   1.857   5.969
   44    H    LYS   7           HN       LYS   7 -12.907   2.159   1.727
   45    HA   LYS   7           HA       LYS   7 -12.702   0.634  -0.768
   46   1HB   LYS   7          HB3       LYS   7 -13.816   3.415  -0.268
   47   2HB   LYS   7          HB2       LYS   7 -13.978   2.446  -1.770
   48   1HG   LYS   7          HG3       LYS   7 -15.215   1.734   0.982
   49   2HG   LYS   7          HG2       LYS   7 -16.002   2.472  -0.439
   50   1HD   LYS   7          HD3       LYS   7 -16.695   0.321  -0.691
   51   2HD   LYS   7          HD2       LYS   7 -15.256   0.325  -1.765
   52   1HE   LYS   7          HE3       LYS   7 -13.960  -0.854   0.139
   53   2HE   LYS   7          HE2       LYS   7 -15.474  -0.818   1.125
   54   1HZ   LYS   7          HZ1       LYS   7 -15.089  -2.133  -1.509
   55   2HZ   LYS   7          HZ2       LYS   7 -15.124  -2.889   0.010
   56   3HZ   LYS   7          HZ3       LYS   7 -16.518  -2.129  -0.592
   57    H    ASP   8           HN       ASP   8 -10.458   2.562   0.991
   58    HA   ASP   8           HA       ASP   8  -9.146   3.710  -1.308
   59   1HB   ASP   8          HB3       ASP   8  -8.324   3.543   1.650
   60   2HB   ASP   8          HB2       ASP   8  -7.423   4.432   0.369
   61    H    CYS   9           HN       CYS   9  -9.133   0.419   0.074
   62    HA   CYS   9           HA       CYS   9  -6.456  -0.005  -1.074
   63   1HB   CYS   9          HB2       CYS   9  -7.235  -1.254   1.267
   64   2HB   CYS   9          HB3       CYS   9  -7.817  -2.431   0.112
   65    H    ALA  10           HN       ALA  10  -9.448   0.289  -2.215
   66    HA   ALA  10           HA       ALA  10  -9.918  -1.784  -3.934
   67   1HB   ALA  10          HB1       ALA  10 -11.608  -0.152  -3.245
   68   2HB   ALA  10          HB2       ALA  10 -10.738   1.175  -4.085
   69   3HB   ALA  10          HB3       ALA  10 -11.509  -0.121  -5.031
   70    H    ASP  11           HN       ASP  11  -8.228   1.300  -4.443
   71    HA   ASP  11           HA       ASP  11  -7.607   0.907  -7.229
   72   1HB   ASP  11          HB2       ASP  11  -6.631   3.202  -5.446
   73   2HB   ASP  11          HB3       ASP  11  -6.665   3.126  -7.243
   74    HA   PRO  12           HA       PRO  12  -3.142  -0.176  -5.628
   75   1HB   PRO  12          HB3       PRO  12  -3.862  -1.039  -2.747
   76   2HB   PRO  12          HB2       PRO  12  -2.319  -0.340  -3.372
   77   1HG   PRO  12          HG2       PRO  12  -4.200   1.092  -1.941
   78   2HG   PRO  12          HG3       PRO  12  -3.331   1.877  -3.342
   79   1HD   PRO  12          HD3       PRO  12  -6.122   0.641  -3.257
   80   2HD   PRO  12          HD2       PRO  12  -5.561   2.206  -3.993
   81    H    CYS  13           HN       CYS  13  -6.054  -1.902  -4.314
   82    HA   CYS  13           HA       CYS  13  -5.076  -4.520  -4.826
   83   1HB   CYS  13          HB2       CYS  13  -6.935  -4.249  -3.235
   84   2HB   CYS  13          HB3       CYS  13  -8.017  -3.795  -4.551
   85    H    ARG  14           HN       ARG  14  -7.129  -2.324  -6.855
   86    HA   ARG  14           HA       ARG  14  -7.726  -3.932  -8.966
   87   1HB   ARG  14          HB3       ARG  14  -8.555  -1.688  -8.591
   88   2HB   ARG  14          HB2       ARG  14  -6.928  -0.966  -8.866
   89   1HG   ARG  14          HG3       ARG  14  -7.103  -1.709 -11.288
   90   2HG   ARG  14          HG2       ARG  14  -8.660  -2.518 -10.878
   91   1HD   ARG  14          HD2       ARG  14  -8.196   0.545 -11.074
   92   2HD   ARG  14          HD3       ARG  14  -9.169  -0.546 -12.122
   93    HE   ARG  14           HE       ARG  14  -9.862  -0.353  -9.163
   94   1HH1  ARG  14          HH1       ARG  14 -11.034  -0.144 -12.348
   95   2HH1  ARG  14          HH1       ARG  14 -12.356   0.910 -11.964
   96   1HH2  ARG  14          HH2       ARG  14 -11.427   1.307  -8.676
   97   2HH2  ARG  14          HH2       ARG  14 -12.539   1.737  -9.940
   98    H    LYS  15           HN       LYS  15  -4.516  -2.636  -8.367
   99    HA   LYS  15           HA       LYS  15  -3.482  -3.245 -10.958
  100   1HB   LYS  15          HB2       LYS  15  -2.844  -1.319  -9.468
  101   2HB   LYS  15          HB3       LYS  15  -2.086  -2.447  -8.313
  102   1HG   LYS  15          HG3       LYS  15  -0.409  -3.079 -10.098
  103   2HG   LYS  15          HG2       LYS  15  -1.249  -1.991 -11.270
  104   1HD   LYS  15          HD3       LYS  15  -0.788  -0.068  -9.671
  105   2HD   LYS  15          HD2       LYS  15   0.091  -1.240  -8.619
  106   1HE   LYS  15          HE3       LYS  15   1.777  -1.632 -10.436
  107   2HE   LYS  15          HE2       LYS  15   0.872  -0.504 -11.529
  108   1HZ   LYS  15          HZ1       LYS  15   2.723   0.561 -10.461
  109   2HZ   LYS  15          HZ2       LYS  15   1.264   1.257  -9.944
  110   3HZ   LYS  15          HZ3       LYS  15   2.111   0.202  -8.919
  111    H    GLU  16           HN       GLU  16  -3.716  -4.891  -7.825
  112    HA   GLU  16           HA       GLU  16  -1.901  -7.074  -8.653
  113   1HB   GLU  16          HB2       GLU  16  -2.002  -8.015  -6.346
  114   2HB   GLU  16          HB3       GLU  16  -1.384  -6.347  -6.356
  115   1HG   GLU  16          HG3       GLU  16  -3.546  -5.493  -5.650
  116   2HG   GLU  16          HG2       GLU  16  -4.321  -7.108  -5.606
  117    H    THR  17           HN       THR  17  -5.395  -6.769  -7.532
  118    HA   THR  17           HA       THR  17  -5.890  -9.125  -9.150
  119    HB   THR  17           HB       THR  17  -5.152 -10.110  -7.116
  120    HG1  THR  17           HG1      THR  17  -7.564 -11.019  -6.863
  121   1HG2  THR  17          HG2       THR  17  -7.627  -8.832  -5.783
  122   2HG2  THR  17          HG2       THR  17  -6.662 -10.181  -5.108
  123   3HG2  THR  17          HG2       THR  17  -5.915  -8.588  -5.347
  124    H    GLY  18           HN       GLY  18  -6.413  -6.705  -9.873
  125   1HA   GLY  18          HA1       GLY  18  -7.857  -5.470 -10.910
  126   2HA   GLY  18          HA2       GLY  18  -8.711  -6.996 -11.096
  127    H    CYS  19           HN       CYS  19  -9.812  -7.016  -8.444
  128    HA   CYS  19           HA       CYS  19 -12.096  -5.300  -9.106
  129   1HB   CYS  19          HB2       CYS  19 -11.922  -7.650  -7.234
  130   2HB   CYS  19          HB3       CYS  19 -13.309  -6.546  -7.163
  131    HA   PRO  20           HA       PRO  20 -11.168  -2.245  -6.065
  132   1HB   PRO  20          HB3       PRO  20 -13.246  -0.478  -6.531
  133   2HB   PRO  20          HB2       PRO  20 -12.156  -0.988  -7.870
  134   1HG   PRO  20          HG2       PRO  20 -14.832  -2.258  -7.144
  135   2HG   PRO  20          HG3       PRO  20 -14.395  -1.552  -8.740
  136   1HD   PRO  20          HD2       PRO  20 -14.058  -4.256  -8.185
  137   2HD   PRO  20          HD3       PRO  20 -12.842  -3.315  -9.186
  138    H    TYR  21           HN       TYR  21 -11.670  -4.181  -4.324
  139    HA   TYR  21           HA       TYR  21 -13.839  -3.233  -2.533
  140   1HB   TYR  21          HB2       TYR  21 -13.620  -5.846  -4.111
  141   2HB   TYR  21          HB3       TYR  21 -14.016  -6.093  -2.401
  142    HD1  TYR  21           HD1      TYR  21 -15.122  -4.576  -5.578
  143    HD2  TYR  21           HD2      TYR  21 -16.083  -5.178  -1.441
  144    HE1  TYR  21           HE1      TYR  21 -17.376  -3.689  -6.000
  145    HE2  TYR  21           HE2      TYR  21 -18.355  -4.335  -1.836
  146    HH   TYR  21           HH       TYR  21 -19.233  -2.847  -4.954
  147    H    GLY  22           HN       GLY  22 -13.235  -3.219  -0.375
  148   1HA   GLY  22          HA1       GLY  22 -10.918  -4.883   0.369
  149   2HA   GLY  22          HA2       GLY  22 -10.631  -3.102   0.343
  150    H    LYS  23           HN       LYS  23 -10.128  -4.417   2.556
  151    HA   LYS  23           HA       LYS  23 -12.192  -3.646   4.491
  152   1HB   LYS  23          HB2       LYS  23 -12.252  -6.044   4.414
  153   2HB   LYS  23          HB3       LYS  23 -10.454  -6.201   4.412
  154   1HG   LYS  23          HG2       LYS  23 -10.359  -5.509   6.770
  155   2HG   LYS  23          HG3       LYS  23 -12.117  -5.121   6.774
  156   1HD   LYS  23          HD3       LYS  23 -12.681  -7.478   6.305
  157   2HD   LYS  23          HD2       LYS  23 -10.948  -7.929   6.228
  158   1HE   LYS  23          HE2       LYS  23 -12.422  -6.855   8.745
  159   2HE   LYS  23          HE3       LYS  23 -12.029  -8.587   8.399
  160   1HZ   LYS  23          HZ1       LYS  23 -10.427  -7.574   9.842
  161   2HZ   LYS  23          HZ2       LYS  23  -9.706  -8.013   8.369
  162   3HZ   LYS  23          HZ3       LYS  23 -10.061  -6.383   8.688
  163    H    CYS  24           HN       CYS  24 -11.306  -2.364   6.083
  164    HA   CYS  24           HA       CYS  24  -8.391  -1.744   5.766
  165   1HB   CYS  24          HB3       CYS  24 -10.274   0.049   5.636
  166   2HB   CYS  24          HB2       CYS  24 -10.359  -0.038   7.389
  167    H    MET  25           HN       MET  25  -6.903  -2.498   7.226
  168    HA   MET  25           HA       MET  25  -7.952  -3.590   9.815
  169   1HB   MET  25          HB2       MET  25  -5.407  -4.437   8.255
  170   2HB   MET  25          HB3       MET  25  -5.850  -4.989   9.892
  171   1HG   MET  25          HG3       MET  25  -7.754  -6.227   9.159
  172   2HG   MET  25          HG2       MET  25  -7.654  -5.653   7.474
  173   1HE   MET  25          HE1       MET  25  -7.800  -8.518   8.881
  174   2HE   MET  25          HE2       MET  25  -7.968  -8.288   7.113
  175   3HE   MET  25          HE3       MET  25  -6.824  -9.521   7.762
  176    H    ASN  26           HN       ASN  26  -8.067  -1.396  10.434
  177    HA   ASN  26           HA       ASN  26  -7.492   0.383  11.595
  178   1HB   ASN  26          HB2       ASN  26  -6.604  -1.619  13.023
  179   2HB   ASN  26          HB3       ASN  26  -4.955  -1.048  12.639
  180   1HD2  ASN  26          HD2       ASN  26  -4.989   1.584  13.015
  181   2HD2  ASN  26          HD2       ASN  26  -5.696   2.094  14.543
  182    H    ARG  27           HN       ARG  27  -6.830   0.696   8.962
  183    HA   ARG  27           HA       ARG  27  -5.949   2.123   7.626
  184   1HB   ARG  27          HB2       ARG  27  -4.167   3.199   9.712
  185   2HB   ARG  27          HB3       ARG  27  -4.254   3.807   8.033
  186   1HG   ARG  27          HG3       ARG  27  -6.790   4.121   8.328
  187   2HG   ARG  27          HG2       ARG  27  -6.560   3.743  10.068
  188   1HD   ARG  27          HD3       ARG  27  -6.644   6.192   9.748
  189   2HD   ARG  27          HD2       ARG  27  -4.977   5.662  10.274
  190    HE   ARG  27           HE       ARG  27  -5.280   5.655   7.322
  191   1HH1  ARG  27          HH1       ARG  27  -4.917   8.013   9.898
  192   2HH1  ARG  27          HH1       ARG  27  -3.952   9.077   8.908
  193   1HH2  ARG  27          HH2       ARG  27  -3.709   6.760   6.363
  194   2HH2  ARG  27          HH2       ARG  27  -3.057   8.247   7.015
  195    H    LYS  28           HN       LYS  28  -4.622  -0.664   8.444
  196    HA   LYS  28           HA       LYS  28  -2.500  -0.597   6.385
  197   1HB   LYS  28          HB3       LYS  28  -2.364  -1.592   8.938
  198   2HB   LYS  28          HB2       LYS  28  -2.974  -3.054   8.138
  199   1HG   LYS  28          HG3       LYS  28  -0.429  -1.350   7.567
  200   2HG   LYS  28          HG2       LYS  28  -0.488  -2.910   8.461
  201   1HD   LYS  28          HD2       LYS  28  -1.112  -4.105   6.321
  202   2HD   LYS  28          HD3       LYS  28  -1.081  -2.522   5.482
  203   1HE   LYS  28          HE2       LYS  28   1.404  -2.291   6.204
  204   2HE   LYS  28          HE3       LYS  28   1.327  -4.035   6.669
  205   1HZ   LYS  28          HZ1       LYS  28   0.723  -2.879   3.980
  206   2HZ   LYS  28          HZ2       LYS  28   2.141  -3.701   4.429
  207   3HZ   LYS  28          HZ3       LYS  28   0.656  -4.526   4.389
  208    H    CYS  29           HN       CYS  29  -2.856  -1.880   4.455
  209    HA   CYS  29           HA       CYS  29  -5.543  -2.368   3.756
  210   1HB   CYS  29          HB2       CYS  29  -2.830  -2.825   2.460
  211   2HB   CYS  29          HB3       CYS  29  -4.217  -3.560   1.651
  212    H    LYS  30           HN       LYS  30  -6.632  -4.025   2.872
  213    HA   LYS  30           HA       LYS  30  -5.745  -6.683   2.674
  214   1HB   LYS  30          HB3       LYS  30  -6.596  -6.722   5.012
  215   2HB   LYS  30          HB2       LYS  30  -8.091  -5.891   4.517
  216   1HG   LYS  30          HG2       LYS  30  -8.489  -8.270   4.981
  217   2HG   LYS  30          HG3       LYS  30  -8.876  -7.893   3.280
  218   1HD   LYS  30          HD3       LYS  30  -7.783 -10.052   3.411
  219   2HD   LYS  30          HD2       LYS  30  -6.703  -8.926   2.542
  220   1HE   LYS  30          HE3       LYS  30  -5.295  -8.684   4.650
  221   2HE   LYS  30          HE2       LYS  30  -6.403  -9.850   5.481
  222   1HZ   LYS  30          HZ1       LYS  30  -4.819 -10.382   3.025
  223   2HZ   LYS  30          HZ2       LYS  30  -4.460 -10.912   4.598
  224   3HZ   LYS  30          HZ3       LYS  30  -5.852 -11.477   3.809
  225    H    CYS  31           HN       CYS  31  -6.928  -7.570   0.798
  226    HA   CYS  31           HA       CYS  31  -8.802  -5.703  -0.520
  227   1HB   CYS  31          HB3       CYS  31  -6.780  -6.628  -1.903
  228   2HB   CYS  31          HB2       CYS  31  -7.549  -8.223  -1.772
  229    H    ASN  32           HN       ASN  32 -10.784  -6.667  -1.527
  230    HA   ASN  32           HA       ASN  32 -11.913  -9.022  -0.187
  231   1HB   ASN  32          HB2       ASN  32 -12.467  -6.833   1.120
  232   2HB   ASN  32          HB3       ASN  32 -13.492  -6.344  -0.287
  233   1HD2  ASN  32          HD2       ASN  32 -14.589  -6.467   2.125
  234   2HD2  ASN  32          HD2       ASN  32 -15.629  -7.878   2.236
  235    H    ARG  33           HN       ARG  33 -14.285  -9.264  -1.456
  236    HA   ARG  33           HA       ARG  33 -13.484  -9.201  -4.314
  237   1HB   ARG  33          HB3       ARG  33 -14.026 -11.410  -2.537
  238   2HB   ARG  33          HB2       ARG  33 -15.140 -11.523  -3.915
  239   1HG   ARG  33          HG2       ARG  33 -13.173 -12.783  -4.391
  240   2HG   ARG  33          HG3       ARG  33 -13.179 -11.393  -5.520
  241   1HD   ARG  33          HD3       ARG  33 -11.494 -11.370  -2.922
  242   2HD   ARG  33          HD2       ARG  33 -10.904 -12.179  -4.405
  243    HE   ARG  33           HE       ARG  33 -11.439  -9.210  -3.999
  244   1HH1  ARG  33          HH1       ARG  33 -10.305 -11.716  -6.237
  245   2HH1  ARG  33          HH1       ARG  33  -9.600 -10.532  -7.314
  246   1HH2  ARG  33          HH2       ARG  33 -10.258  -7.815  -5.397
  247   2HH2  ARG  33          HH2       ARG  33  -9.462  -8.502  -6.823
  248    H    CYS  34           HN       CYS  34 -14.716  -9.233  -6.022
  249    HA   CYS  34           HA       CYS  34 -17.128  -7.679  -5.958
  250   1HB   CYS  34          HB2       CYS  34 -16.671  -7.854  -8.527
  251   2HB   CYS  34          HB3       CYS  34 -15.502  -6.980  -7.519
  252   1HN   NH2  35          HT1       CYS  34 -17.964 -10.016  -4.793
  253   2HN   NH2  35          HT2       CYS  34 -18.854 -10.987  -5.958
  Start of MODEL   11
    1   2H    ALA   1          HN2       ALA   1  -1.484  -1.973   2.801
    2    H    ALA   1           HN       ALA   1  -1.776  -0.657   3.856
    3   3H    ALA   1          HN3       ALA   1  -2.960  -1.148   2.770
    4    HA   ALA   1           HA       ALA   1  -0.404  -0.232   1.670
    5   1HB   ALA   1          HB1       ALA   1  -1.904   0.114  -0.324
    6   2HB   ALA   1          HB2       ALA   1  -2.394  -1.437   0.377
    7   3HB   ALA   1          HB3       ALA   1  -3.376   0.014   0.718
    8    H    SER   2           HN       SER   2  -1.570   2.419   0.672
    9    HA   SER   2           HA       SER   2  -1.470   3.899   3.141
   10   1HB   SER   2          HB2       SER   2  -1.581   5.884   1.571
   11   2HB   SER   2          HB3       SER   2  -0.278   4.724   1.162
   12    HG   SER   2           HG       SER   2  -2.852   4.809  -0.015
   13    H    CYS   3           HN       CYS   3  -3.438   2.971   4.194
   14    HA   CYS   3           HA       CYS   3  -5.854   4.323   3.185
   15   1HB   CYS   3          HB2       CYS   3  -7.349   2.468   3.525
   16   2HB   CYS   3          HB3       CYS   3  -6.059   2.073   2.381
   17    H    ARG   4           HN       ARG   4  -6.941   5.541   4.482
   18    HA   ARG   4           HA       ARG   4  -6.495   5.394   7.365
   19   1HB   ARG   4          HB3       ARG   4  -8.103   7.565   5.877
   20   2HB   ARG   4          HB2       ARG   4  -7.268   7.577   7.474
   21   1HG   ARG   4          HG3       ARG   4  -5.064   7.371   6.011
   22   2HG   ARG   4          HG2       ARG   4  -6.120   7.590   4.572
   23   1HD   ARG   4          HD3       ARG   4  -5.054   9.738   5.123
   24   2HD   ARG   4          HD2       ARG   4  -6.832   9.876   5.436
   25    HE   ARG   4           HE       ARG   4  -5.120   8.913   7.713
   26   1HH1  ARG   4          HH1       ARG   4  -6.469  11.828   6.302
   27   2HH1  ARG   4          HH1       ARG   4  -6.531  12.631   7.838
   28   1HH2  ARG   4          HH2       ARG   4  -5.192   9.957   9.580
   29   2HH2  ARG   4          HH2       ARG   4  -5.777  11.598   9.658
   30    H    THR   5           HN       THR   5  -8.970   5.128   4.790
   31    HA   THR   5           HA       THR   5 -10.784   3.680   6.535
   32    HB   THR   5           HB       THR   5 -12.746   4.661   5.325
   33    HG1  THR   5           HG1      THR   5 -12.374   6.699   4.305
   34   1HG2  THR   5          HG2       THR   5 -11.015   6.810   6.724
   35   2HG2  THR   5          HG2       THR   5 -12.805   6.822   6.561
   36   3HG2  THR   5          HG2       THR   5 -12.003   5.575   7.580
   37    HA   PRO   6           HA       PRO   6 -10.187   0.784   3.225
   38   1HB   PRO   6          HB2       PRO   6 -13.199   0.240   3.004
   39   2HB   PRO   6          HB3       PRO   6 -11.856  -0.914   3.309
   40   1HG   PRO   6          HG2       PRO   6 -13.566  -0.033   5.314
   41   2HG   PRO   6          HG3       PRO   6 -11.802  -0.220   5.655
   42   1HD   PRO   6          HD3       PRO   6 -13.289   2.362   4.988
   43   2HD   PRO   6          HD2       PRO   6 -12.049   1.987   6.285
   44    H    LYS   7           HN       LYS   7 -12.298   3.327   2.411
   45    HA   LYS   7           HA       LYS   7 -12.686   3.091  -0.370
   46   1HB   LYS   7          HB3       LYS   7 -13.977   4.609   1.154
   47   2HB   LYS   7          HB2       LYS   7 -12.530   5.665   1.330
   48   1HG   LYS   7          HG3       LYS   7 -12.691   6.199  -1.124
   49   2HG   LYS   7          HG2       LYS   7 -14.068   5.054  -1.269
   50   1HD   LYS   7          HD3       LYS   7 -15.385   6.430   0.351
   51   2HD   LYS   7          HD2       LYS   7 -13.989   7.547   0.547
   52   1HE   LYS   7          HE3       LYS   7 -14.157   8.230  -1.857
   53   2HE   LYS   7          HE2       LYS   7 -15.533   7.075  -2.094
   54   1HZ   LYS   7          HZ1       LYS   7 -16.282   9.307  -1.704
   55   2HZ   LYS   7          HZ2       LYS   7 -16.768   8.292  -0.433
   56   3HZ   LYS   7          HZ3       LYS   7 -15.479   9.374  -0.208
   57    H    ASP   8           HN       ASP   8  -9.737   3.853   1.375
   58    HA   ASP   8           HA       ASP   8  -8.437   5.120  -0.925
   59   1HB   ASP   8          HB3       ASP   8  -7.337   4.376   1.838
   60   2HB   ASP   8          HB2       ASP   8  -6.516   5.433   0.622
   61    H    CYS   9           HN       CYS   9  -9.066   1.794  -0.062
   62    HA   CYS   9           HA       CYS   9  -6.434   1.003  -1.193
   63   1HB   CYS   9          HB3       CYS   9  -7.205   0.385   1.203
   64   2HB   CYS   9          HB2       CYS   9  -8.129  -0.930   0.448
   65    H    ALA  10           HN       ALA  10  -9.285   1.720  -2.356
   66    HA   ALA  10           HA       ALA  10 -10.277  -0.334  -3.826
   67   1HB   ALA  10          HB1       ALA  10 -10.322   2.684  -4.459
   68   2HB   ALA  10          HB2       ALA  10 -11.498   1.463  -5.081
   69   3HB   ALA  10          HB3       ALA  10 -11.408   1.816  -3.327
   70    H    ASP  11           HN       ASP  11  -7.792   1.997  -4.852
   71    HA   ASP  11           HA       ASP  11  -7.358   0.832  -7.452
   72   1HB   ASP  11          HB2       ASP  11  -5.708   2.998  -6.020
   73   2HB   ASP  11          HB3       ASP  11  -5.602   2.550  -7.764
   74    HA   PRO  12           HA       PRO  12  -3.317  -1.033  -5.528
   75   1HB   PRO  12          HB3       PRO  12  -3.122  -1.308  -2.725
   76   2HB   PRO  12          HB2       PRO  12  -2.456   0.047  -3.716
   77   1HG   PRO  12          HG3       PRO  12  -5.140  -0.159  -2.357
   78   2HG   PRO  12          HG2       PRO  12  -3.961   1.180  -2.111
   79   1HD   PRO  12          HD2       PRO  12  -6.003   1.545  -3.802
   80   2HD   PRO  12          HD3       PRO  12  -4.340   1.965  -4.414
   81    H    CYS  13           HN       CYS  13  -6.505  -1.729  -3.887
   82    HA   CYS  13           HA       CYS  13  -6.069  -4.601  -3.911
   83   1HB   CYS  13          HB2       CYS  13  -7.455  -3.649  -2.208
   84   2HB   CYS  13          HB3       CYS  13  -8.592  -2.995  -3.411
   85    H    ARG  14           HN       ARG  14  -7.582  -2.325  -6.242
   86    HA   ARG  14           HA       ARG  14  -8.482  -4.250  -8.219
   87   1HB   ARG  14          HB3       ARG  14  -9.418  -2.039  -8.026
   88   2HB   ARG  14          HB2       ARG  14  -7.830  -1.258  -8.325
   89   1HG   ARG  14          HG3       ARG  14  -7.914  -2.349 -10.701
   90   2HG   ARG  14          HG2       ARG  14  -9.503  -3.021 -10.211
   91   1HD   ARG  14          HD3       ARG  14  -8.868  -0.039 -10.787
   92   2HD   ARG  14          HD2       ARG  14  -9.867  -1.242 -11.688
   93    HE   ARG  14           HE       ARG  14 -10.585  -0.697  -8.804
   94   1HH1  ARG  14          HH2       ARG  14 -11.341  -0.254 -12.156
   95   2HH1  ARG  14          HH2       ARG  14 -12.733   0.723 -11.835
   96   1HH2  ARG  14          HH1       ARG  14 -12.535   0.565  -8.464
   97   2HH2  ARG  14          HH1       ARG  14 -13.430   1.091  -9.862
   98    H    LYS  15           HN       LYS  15  -5.497  -2.267  -7.804
   99    HA   LYS  15           HA       LYS  15  -4.230  -3.049 -10.181
  100   1HB   LYS  15          HB3       LYS  15  -3.839  -0.973  -8.796
  101   2HB   LYS  15          HB2       LYS  15  -2.928  -1.953  -7.607
  102   1HG   LYS  15          HG2       LYS  15  -1.259  -2.515  -9.446
  103   2HG   LYS  15          HG3       LYS  15  -2.227  -1.500 -10.583
  104   1HD   LYS  15          HD2       LYS  15  -1.892   0.477  -9.236
  105   2HD   LYS  15          HD3       LYS  15  -0.961  -0.453  -8.002
  106   1HE   LYS  15          HE3       LYS  15   0.822  -0.952  -9.698
  107   2HE   LYS  15          HE2       LYS  15  -0.104  -0.021 -10.949
  108   1HZ   LYS  15          HZ1       LYS  15   0.090   1.929  -9.557
  109   2HZ   LYS  15          HZ2       LYS  15   0.958   1.058  -8.387
  110   3HZ   LYS  15          HZ3       LYS  15   1.618   1.291  -9.934
  111    H    GLU  16           HN       GLU  16  -4.207  -4.502  -6.962
  112    HA   GLU  16           HA       GLU  16  -2.272  -6.569  -7.773
  113   1HB   GLU  16          HB2       GLU  16  -2.083  -7.419  -5.510
  114   2HB   GLU  16          HB3       GLU  16  -1.852  -5.659  -5.481
  115   1HG   GLU  16          HG2       GLU  16  -4.479  -5.683  -4.936
  116   2HG   GLU  16          HG3       GLU  16  -4.193  -7.389  -4.482
  117    H    THR  17           HN       THR  17  -5.861  -6.541  -6.839
  118    HA   THR  17           HA       THR  17  -5.958  -9.244  -7.991
  119    HB   THR  17           HB       THR  17  -8.148  -9.520  -7.102
  120    HG1  THR  17           HG1      THR  17  -7.845  -6.925  -5.911
  121   1HG2  THR  17          HG2       THR  17  -6.147 -10.071  -5.712
  122   2HG2  THR  17          HG2       THR  17  -6.174  -8.422  -4.981
  123   3HG2  THR  17          HG2       THR  17  -7.533  -9.540  -4.706
  124    H    GLY  18           HN       GLY  18  -8.534  -7.017  -8.021
  125   1HA   GLY  18          HA1       GLY  18  -8.369  -5.800 -10.549
  126   2HA   GLY  18          HA2       GLY  18  -9.299  -7.317 -10.728
  127    H    CYS  19           HN       CYS  19 -10.169  -6.810  -7.783
  128    HA   CYS  19           HA       CYS  19 -12.468  -5.098  -8.516
  129   1HB   CYS  19          HB2       CYS  19 -12.150  -7.464  -6.612
  130   2HB   CYS  19          HB3       CYS  19 -13.596  -6.395  -6.583
  131    HA   PRO  20           HA       PRO  20 -10.807  -2.512  -5.102
  132   1HB   PRO  20          HB3       PRO  20 -12.890  -0.587  -5.002
  133   2HB   PRO  20          HB2       PRO  20 -11.886  -0.777  -6.488
  134   1HG   PRO  20          HG3       PRO  20 -14.489  -2.029  -5.939
  135   2HG   PRO  20          HG2       PRO  20 -14.068  -1.004  -7.373
  136   1HD   PRO  20          HD2       PRO  20 -13.955  -3.769  -7.467
  137   2HD   PRO  20          HD3       PRO  20 -12.667  -2.749  -8.290
  138    H    TYR  21           HN       TYR  21 -11.472  -4.781  -4.117
  139    HA   TYR  21           HA       TYR  21 -13.757  -4.629  -2.223
  140   1HB   TYR  21          HB2       TYR  21 -12.988  -6.575  -4.327
  141   2HB   TYR  21          HB3       TYR  21 -12.797  -7.441  -2.841
  142    HD1  TYR  21           HD1      TYR  21 -14.998  -5.242  -4.890
  143    HD2  TYR  21           HD2      TYR  21 -14.873  -8.076  -1.672
  144    HE1  TYR  21           HE1      TYR  21 -17.448  -5.425  -4.981
  145    HE2  TYR  21           HE2      TYR  21 -17.316  -8.291  -1.746
  146    HH   TYR  21           HH       TYR  21 -19.237  -7.542  -2.668
  147    H    GLY  22           HN       GLY  22 -11.853  -3.274  -1.091
  148   1HA   GLY  22          HA1       GLY  22 -10.255  -5.247   0.529
  149   2HA   GLY  22          HA2       GLY  22  -9.692  -3.631   0.143
  150    H    LYS  23           HN       LYS  23 -10.358  -5.277   2.732
  151    HA   LYS  23           HA       LYS  23 -12.064  -3.261   4.065
  152   1HB   LYS  23          HB2       LYS  23 -11.577  -6.173   4.899
  153   2HB   LYS  23          HB3       LYS  23 -12.543  -5.033   5.790
  154   1HG   LYS  23          HG3       LYS  23 -14.305  -4.906   4.123
  155   2HG   LYS  23          HG2       LYS  23 -13.418  -5.903   2.942
  156   1HD   LYS  23          HD3       LYS  23 -15.056  -7.274   3.922
  157   2HD   LYS  23          HD2       LYS  23 -13.456  -7.846   4.497
  158   1HE   LYS  23          HE3       LYS  23 -13.882  -6.749   6.734
  159   2HE   LYS  23          HE2       LYS  23 -15.453  -6.099   6.109
  160   1HZ   LYS  23          HZ1       LYS  23 -16.186  -8.358   5.764
  161   2HZ   LYS  23          HZ2       LYS  23 -14.711  -8.969   6.345
  162   3HZ   LYS  23          HZ3       LYS  23 -15.737  -8.098   7.381
  163    H    CYS  24           HN       CYS  24 -10.864  -1.938   5.085
  164    HA   CYS  24           HA       CYS  24  -8.070  -2.492   5.831
  165   1HB   CYS  24          HB2       CYS  24  -8.442  -0.712   4.122
  166   2HB   CYS  24          HB3       CYS  24  -9.593   0.088   5.231
  167    H    MET  25           HN       MET  25  -7.944  -3.077   8.017
  168    HA   MET  25           HA       MET  25  -9.754  -1.709   9.937
  169   1HB   MET  25          HB2       MET  25  -7.947  -4.144  10.531
  170   2HB   MET  25          HB3       MET  25  -9.257  -3.459  11.528
  171   1HG   MET  25          HG3       MET  25 -10.225  -5.361  10.643
  172   2HG   MET  25          HG2       MET  25 -10.889  -4.120   9.553
  173   1HE   MET  25          HE1       MET  25 -11.179  -7.119   8.760
  174   2HE   MET  25          HE2       MET  25 -11.698  -5.637   7.891
  175   3HE   MET  25          HE3       MET  25 -10.785  -6.922   7.016
  176    H    ASN  26           HN       ASN  26  -8.178  -0.091   8.923
  177    HA   ASN  26           HA       ASN  26  -7.031   1.737   9.291
  178   1HB   ASN  26          HB2       ASN  26  -7.424   1.391  11.850
  179   2HB   ASN  26          HB3       ASN  26  -5.728   0.829  11.924
  180   1HD2  ASN  26          HD2       ASN  26  -7.787   3.635  11.924
  181   2HD2  ASN  26          HD2       ASN  26  -6.501   4.807  11.697
  182    H    ARG  27           HN       ARG  27  -5.426   1.689   7.497
  183    HA   ARG  27           HA       ARG  27  -3.622   1.386   6.447
  184   1HB   ARG  27          HB3       ARG  27  -2.299   0.441   9.033
  185   2HB   ARG  27          HB2       ARG  27  -1.432   0.974   7.561
  186   1HG   ARG  27          HG3       ARG  27  -2.059   3.274   7.894
  187   2HG   ARG  27          HG2       ARG  27  -3.399   2.871   9.021
  188   1HD   ARG  27          HD2       ARG  27  -1.933   2.244  10.833
  189   2HD   ARG  27          HD3       ARG  27  -0.482   2.347   9.742
  190    HE   ARG  27           HE       ARG  27  -1.958   4.869   9.743
  191   1HH1  ARG  27          HH1       ARG  27   0.157   3.100  11.898
  192   2HH1  ARG  27          HH1       ARG  27   1.170   4.479  12.219
  193   1HH2  ARG  27          HH2       ARG  27  -0.721   6.589  10.270
  194   2HH2  ARG  27          HH2       ARG  27   0.684   6.422  11.299
  195    H    LYS  28           HN       LYS  28  -4.692  -1.426   8.065
  196    HA   LYS  28           HA       LYS  28  -3.269  -3.379   6.376
  197   1HB   LYS  28          HB3       LYS  28  -4.975  -3.664   8.929
  198   2HB   LYS  28          HB2       LYS  28  -4.380  -5.059   8.034
  199   1HG   LYS  28          HG3       LYS  28  -2.180  -4.742   8.564
  200   2HG   LYS  28          HG2       LYS  28  -2.262  -2.972   8.758
  201   1HD   LYS  28          HD2       LYS  28  -3.489  -4.957  10.773
  202   2HD   LYS  28          HD3       LYS  28  -1.851  -4.229  10.864
  203   1HE   LYS  28          HE3       LYS  28  -2.876  -1.916  10.912
  204   2HE   LYS  28          HE2       LYS  28  -4.515  -2.674  11.030
  205   1HZ   LYS  28          HZ1       LYS  28  -3.773  -3.780  13.037
  206   2HZ   LYS  28          HZ2       LYS  28  -2.241  -3.060  12.910
  207   3HZ   LYS  28          HZ3       LYS  28  -3.615  -2.094  13.160
  208    H    CYS  29           HN       CYS  29  -4.312  -3.170   4.256
  209    HA   CYS  29           HA       CYS  29  -7.157  -3.576   4.090
  210   1HB   CYS  29          HB3       CYS  29  -5.722  -3.756   1.412
  211   2HB   CYS  29          HB2       CYS  29  -7.123  -2.904   2.015
  212    H    LYS  30           HN       LYS  30  -7.954  -5.554   4.305
  213    HA   LYS  30           HA       LYS  30  -6.618  -7.963   3.215
  214   1HB   LYS  30          HB2       LYS  30  -7.614  -8.278   5.399
  215   2HB   LYS  30          HB3       LYS  30  -9.163  -7.518   4.939
  216   1HG   LYS  30          HG3       LYS  30  -8.268 -10.186   3.677
  217   2HG   LYS  30          HG2       LYS  30  -9.080 -10.017   5.267
  218   1HD   LYS  30          HD3       LYS  30 -10.890  -8.601   4.093
  219   2HD   LYS  30          HD2       LYS  30 -10.303  -9.307   2.555
  220   1HE   LYS  30          HE2       LYS  30 -10.859 -11.602   3.406
  221   2HE   LYS  30          HE3       LYS  30 -11.392 -10.884   4.986
  222   1HZ   LYS  30          HZ1       LYS  30 -12.523 -10.242   2.307
  223   2HZ   LYS  30          HZ2       LYS  30 -13.234 -11.223   3.497
  224   3HZ   LYS  30          HZ3       LYS  30 -13.006  -9.565   3.788
  225    H    CYS  31           HN       CYS  31  -6.821  -8.168   1.034
  226    HA   CYS  31           HA       CYS  31  -8.932  -6.840  -0.454
  227   1HB   CYS  31          HB3       CYS  31  -6.498  -6.790  -1.076
  228   2HB   CYS  31          HB2       CYS  31  -6.615  -8.497  -1.545
  229    H    ASN  32           HN       ASN  32 -10.228  -8.004  -2.156
  230    HA   ASN  32           HA       ASN  32 -10.873 -10.823  -1.667
  231   1HB   ASN  32          HB2       ASN  32 -11.881  -9.470   0.258
  232   2HB   ASN  32          HB3       ASN  32 -12.868  -8.545  -0.868
  233   1HD2  ASN  32          HD2       ASN  32 -13.611 -10.390   1.480
  234   2HD2  ASN  32          HD2       ASN  32 -14.617 -11.602   0.761
  235    H    ARG  33           HN       ARG  33 -13.455 -10.667  -3.073
  236    HA   ARG  33           HA       ARG  33 -12.597  -9.596  -5.691
  237   1HB   ARG  33          HB2       ARG  33 -11.990 -12.158  -4.939
  238   2HB   ARG  33          HB3       ARG  33 -13.568 -12.504  -5.537
  239   1HG   ARG  33          HG3       ARG  33 -11.730 -12.859  -7.187
  240   2HG   ARG  33          HG2       ARG  33 -12.777 -11.566  -7.848
  241   1HD   ARG  33          HD3       ARG  33 -10.177 -11.213  -8.092
  242   2HD   ARG  33          HD2       ARG  33 -11.064  -9.855  -7.336
  243    HE   ARG  33           HE       ARG  33 -10.282 -10.416  -5.150
  244   1HH1  ARG  33          HH1       ARG  33  -8.892 -12.667  -7.550
  245   2HH1  ARG  33          HH1       ARG  33  -7.835 -13.427  -6.397
  246   1HH2  ARG  33          HH2       ARG  33  -8.997 -11.573  -3.765
  247   2HH2  ARG  33          HH2       ARG  33  -7.982 -12.920  -4.257
  248    H    CYS  34           HN       CYS  34 -14.223  -9.984  -7.498
  249    HA   CYS  34           HA       CYS  34 -16.981 -10.046  -6.799
  250   1HB   CYS  34          HB3       CYS  34 -17.508  -7.856  -7.680
  251   2HB   CYS  34          HB2       CYS  34 -16.262  -7.607  -6.433
  252   1HN   NH2  35          HT1       CYS  34 -18.105 -10.051  -9.247
  253   2HN   NH2  35          HT2       CYS  34 -17.078 -10.770 -10.455
  Start of MODEL   12
    1   2H    ALA   1          HN2       ALA   1   1.100  -0.208  -1.127
    2    H    ALA   1           HN       ALA   1   1.651   0.798   0.139
    3   3H    ALA   1          HN3       ALA   1   0.833  -0.629   0.520
    4    HA   ALA   1           HA       ALA   1  -0.338   1.844  -0.460
    5   1HB   ALA   1          HB1       ALA   1  -1.153   0.021  -2.014
    6   2HB   ALA   1          HB2       ALA   1  -1.573  -1.020  -0.612
    7   3HB   ALA   1          HB3       ALA   1  -2.473   0.511  -0.906
    8    H    SER   2           HN       SER   2  -2.307   2.349   1.126
    9    HA   SER   2           HA       SER   2  -2.385   0.873   3.577
   10   1HB   SER   2          HB3       SER   2  -0.385   2.526   3.844
   11   2HB   SER   2          HB2       SER   2  -1.568   3.860   3.706
   12    HG   SER   2           HG       SER   2  -1.355   1.786   5.675
   13    H    CYS   3           HN       CYS   3  -4.151   2.254   4.974
   14    HA   CYS   3           HA       CYS   3  -6.086   3.582   3.251
   15   1HB   CYS   3          HB2       CYS   3  -7.928   1.878   3.710
   16   2HB   CYS   3          HB3       CYS   3  -6.578   1.245   2.746
   17    H    ARG   4           HN       ARG   4  -7.917   4.494   4.323
   18    HA   ARG   4           HA       ARG   4  -7.622   4.790   7.277
   19   1HB   ARG   4          HB2       ARG   4  -9.038   6.797   5.371
   20   2HB   ARG   4          HB3       ARG   4  -8.912   6.879   7.157
   21   1HG   ARG   4          HG3       ARG   4  -6.687   7.234   5.096
   22   2HG   ARG   4          HG2       ARG   4  -7.478   8.444   6.150
   23   1HD   ARG   4          HD3       ARG   4  -5.503   8.206   7.373
   24   2HD   ARG   4          HD2       ARG   4  -6.457   6.918   8.167
   25    HE   ARG   4           HE       ARG   4  -5.064   5.298   7.131
   26   1HH1  ARG   4          HH1       ARG   4  -4.725   8.239   5.250
   27   2HH1  ARG   4          HH1       ARG   4  -3.199   7.736   4.568
   28   1HH2  ARG   4          HH2       ARG   4  -3.269   4.634   6.007
   29   2HH2  ARG   4          HH2       ARG   4  -2.477   5.679   4.878
   30    H    THR   5           HN       THR   5 -10.033   4.839   4.598
   31    HA   THR   5           HA       THR   5 -11.920   3.262   6.187
   32    HB   THR   5           HB       THR   5 -13.679   4.079   4.613
   33    HG1  THR   5           HG1      THR   5 -13.116   6.003   3.466
   34   1HG2  THR   5          HG2       THR   5 -13.285   5.196   6.845
   35   2HG2  THR   5          HG2       THR   5 -12.092   6.313   6.098
   36   3HG2  THR   5          HG2       THR   5 -13.813   6.377   5.600
   37    HA   PRO   6           HA       PRO   6 -10.855  -0.027   3.493
   38   1HB   PRO   6          HB2       PRO   6 -13.759  -0.892   3.219
   39   2HB   PRO   6          HB3       PRO   6 -12.347  -1.750   3.869
   40   1HG   PRO   6          HG2       PRO   6 -14.272  -0.712   5.521
   41   2HG   PRO   6          HG3       PRO   6 -12.526  -0.609   5.987
   42   1HD   PRO   6          HD2       PRO   6 -14.209   1.554   4.619
   43   2HD   PRO   6          HD3       PRO   6 -13.138   1.648   6.099
   44    H    LYS   7           HN       LYS   7 -12.993   2.195   1.952
   45    HA   LYS   7           HA       LYS   7 -12.797   1.172  -0.744
   46   1HB   LYS   7          HB3       LYS   7 -13.843   3.800   0.436
   47   2HB   LYS   7          HB2       LYS   7 -13.566   3.655  -1.320
   48   1HG   LYS   7          HG3       LYS   7 -15.849   3.281  -0.872
   49   2HG   LYS   7          HG2       LYS   7 -15.074   1.867  -1.646
   50   1HD   LYS   7          HD3       LYS   7 -15.073   0.627   0.503
   51   2HD   LYS   7          HD2       LYS   7 -15.773   2.055   1.353
   52   1HE   LYS   7          HE3       LYS   7 -17.147   0.522  -0.966
   53   2HE   LYS   7          HE2       LYS   7 -17.506   0.285   0.793
   54   1HZ   LYS   7          HZ1       LYS   7 -18.127   2.593   0.931
   55   2HZ   LYS   7          HZ2       LYS   7 -17.795   2.823  -0.718
   56   3HZ   LYS   7          HZ3       LYS   7 -19.045   1.777  -0.243
   57    H    ASP   8           HN       ASP   8 -10.531   2.918   1.323
   58    HA   ASP   8           HA       ASP   8  -9.044   4.133  -0.811
   59   1HB   ASP   8          HB3       ASP   8  -8.269   3.570   2.113
   60   2HB   ASP   8          HB2       ASP   8  -7.314   4.582   0.965
   61    H    CYS   9           HN       CYS   9  -9.363   0.813  -0.053
   62    HA   CYS   9           HA       CYS   9  -6.666   0.307  -1.201
   63   1HB   CYS   9          HB2       CYS   9  -7.574  -0.926   1.177
   64   2HB   CYS   9          HB3       CYS   9  -8.050  -2.093  -0.020
   65    H    ALA  10           HN       ALA  10  -9.678   0.860  -2.330
   66    HA   ALA  10           HA       ALA  10 -10.289  -1.377  -3.884
   67   1HB   ALA  10          HB1       ALA  10 -12.052   0.082  -4.858
   68   2HB   ALA  10          HB2       ALA  10 -11.978   0.247  -3.068
   69   3HB   ALA  10          HB3       ALA  10 -11.286   1.530  -4.107
   70    H    ASP  11           HN       ASP  11  -8.954   1.855  -4.826
   71    HA   ASP  11           HA       ASP  11  -8.305   1.010  -7.501
   72   1HB   ASP  11          HB2       ASP  11  -7.631   3.556  -5.943
   73   2HB   ASP  11          HB3       ASP  11  -6.996   3.255  -7.604
   74    HA   PRO  12           HA       PRO  12  -3.765   0.285  -6.231
   75   1HB   PRO  12          HB3       PRO  12  -3.058  -0.123  -3.565
   76   2HB   PRO  12          HB2       PRO  12  -3.060   1.482  -4.396
   77   1HG   PRO  12          HG2       PRO  12  -5.196   0.201  -2.706
   78   2HG   PRO  12          HG3       PRO  12  -4.494   1.867  -2.514
   79   1HD   PRO  12          HD3       PRO  12  -6.883   1.474  -3.821
   80   2HD   PRO  12          HD2       PRO  12  -5.680   2.688  -4.456
   81    H    CYS  13           HN       CYS  13  -6.635  -1.455  -5.034
   82    HA   CYS  13           HA       CYS  13  -5.337  -4.002  -4.821
   83   1HB   CYS  13          HB2       CYS  13  -7.172  -3.731  -3.396
   84   2HB   CYS  13          HB3       CYS  13  -8.262  -3.240  -4.715
   85    H    ARG  14           HN       ARG  14  -6.600  -2.069  -7.501
   86    HA   ARG  14           HA       ARG  14  -6.998  -4.155  -9.360
   87   1HB   ARG  14          HB3       ARG  14  -7.966  -2.013  -9.668
   88   2HB   ARG  14          HB2       ARG  14  -6.374  -1.188  -9.716
   89   1HG   ARG  14          HG3       ARG  14  -5.863  -2.350 -11.856
   90   2HG   ARG  14          HG2       ARG  14  -7.317  -3.382 -11.653
   91   1HD   ARG  14          HD2       ARG  14  -7.342  -0.339 -12.414
   92   2HD   ARG  14          HD3       ARG  14  -7.755  -1.731 -13.452
   93    HE   ARG  14           HE       ARG  14  -9.765  -2.193 -12.062
   94   1HH1  ARG  14          HH1       ARG  14  -8.417   1.013 -11.539
   95   2HH1  ARG  14          HH1       ARG  14  -9.759   1.518 -10.566
   96   1HH2  ARG  14          HH2       ARG  14 -11.490  -1.392 -10.867
   97   2HH2  ARG  14          HH2       ARG  14 -11.374   0.153 -10.134
   98    H    LYS  15           HN       LYS  15  -4.104  -2.667  -8.134
   99    HA   LYS  15           HA       LYS  15  -2.385  -3.625 -10.228
  100   1HB   LYS  15          HB2       LYS  15  -1.986  -1.497  -8.942
  101   2HB   LYS  15          HB3       LYS  15  -1.721  -2.438  -7.448
  102   1HG   LYS  15          HG3       LYS  15   0.345  -3.458  -8.535
  103   2HG   LYS  15          HG2       LYS  15   0.025  -2.464 -10.008
  104   1HD   LYS  15          HD3       LYS  15   0.238  -0.401  -8.549
  105   2HD   LYS  15          HD2       LYS  15   0.492  -1.484  -7.133
  106   1HE   LYS  15          HE3       LYS  15   2.633  -2.331  -8.151
  107   2HE   LYS  15          HE2       LYS  15   2.394  -1.220  -9.563
  108   1HZ   LYS  15          HZ1       LYS  15   2.649  -0.414  -6.707
  109   2HZ   LYS  15          HZ2       LYS  15   3.849  -0.289  -7.903
  110   3HZ   LYS  15          HZ3       LYS  15   2.427   0.633  -8.026
  111    H    GLU  16           HN       GLU  16  -3.559  -4.900  -7.089
  112    HA   GLU  16           HA       GLU  16  -1.533  -7.069  -7.160
  113   1HB   GLU  16          HB2       GLU  16  -1.972  -7.589  -4.784
  114   2HB   GLU  16          HB3       GLU  16  -1.420  -5.906  -5.018
  115   1HG   GLU  16          HG3       GLU  16  -3.718  -5.101  -4.820
  116   2HG   GLU  16          HG2       GLU  16  -4.371  -6.754  -4.475
  117    H    THR  17           HN       THR  17  -5.126  -6.936  -6.483
  118    HA   THR  17           HA       THR  17  -5.176  -9.726  -7.439
  119    HB   THR  17           HB       THR  17  -6.923 -10.355  -5.953
  120    HG1  THR  17           HG1      THR  17  -8.030  -8.703  -5.198
  121   1HG2  THR  17          HG2       THR  17  -4.474 -10.558  -5.203
  122   2HG2  THR  17          HG2       THR  17  -4.691  -8.961  -4.352
  123   3HG2  THR  17          HG2       THR  17  -5.685 -10.355  -3.866
  124    H    GLY  18           HN       GLY  18  -6.609  -6.518  -7.873
  125   1HA   GLY  18          HA1       GLY  18  -7.418  -6.012  -9.912
  126   2HA   GLY  18          HA2       GLY  18  -7.862  -7.668 -10.269
  127    H    CYS  19           HN       CYS  19  -9.296  -5.993  -7.355
  128    HA   CYS  19           HA       CYS  19 -11.492  -5.088  -8.997
  129   1HB   CYS  19          HB3       CYS  19 -11.796  -7.730  -7.698
  130   2HB   CYS  19          HB2       CYS  19 -13.042  -6.646  -7.131
  131    HA   PRO  20           HA       PRO  20 -11.659  -2.162  -5.979
  132   1HB   PRO  20          HB2       PRO  20 -13.879  -0.825  -6.752
  133   2HB   PRO  20          HB3       PRO  20 -12.619  -1.235  -7.948
  134   1HG   PRO  20          HG3       PRO  20 -15.235  -2.766  -7.436
  135   2HG   PRO  20          HG2       PRO  20 -14.568  -2.172  -9.024
  136   1HD   PRO  20          HD2       PRO  20 -14.089  -4.782  -7.937
  137   2HD   PRO  20          HD3       PRO  20 -13.045  -3.913  -9.130
  138    H    TYR  21           HN       TYR  21 -11.920  -4.105  -4.141
  139    HA   TYR  21           HA       TYR  21 -14.080  -3.138  -2.402
  140   1HB   TYR  21          HB3       TYR  21 -13.984  -5.935  -3.643
  141   2HB   TYR  21          HB2       TYR  21 -14.397  -5.878  -1.919
  142    HD1  TYR  21           HD1      TYR  21 -15.744  -5.036  -5.252
  143    HD2  TYR  21           HD2      TYR  21 -16.322  -4.779  -0.997
  144    HE1  TYR  21           HE1      TYR  21 -18.139  -4.419  -5.593
  145    HE2  TYR  21           HE2      TYR  21 -18.647  -4.186  -1.322
  146    HH   TYR  21           HH       TYR  21 -20.287  -3.607  -2.816
  147    H    GLY  22           HN       GLY  22 -13.434  -3.307  -0.156
  148   1HA   GLY  22          HA1       GLY  22 -11.128  -4.981   0.454
  149   2HA   GLY  22          HA2       GLY  22 -10.802  -3.185   0.462
  150    H    LYS  23           HN       LYS  23 -10.360  -4.663   2.675
  151    HA   LYS  23           HA       LYS  23 -12.310  -3.616   4.601
  152   1HB   LYS  23          HB3       LYS  23 -10.801  -6.325   4.835
  153   2HB   LYS  23          HB2       LYS  23 -11.817  -5.571   6.094
  154   1HG   LYS  23          HG2       LYS  23 -12.918  -6.612   3.420
  155   2HG   LYS  23          HG3       LYS  23 -13.006  -7.401   5.035
  156   1HD   LYS  23          HD3       LYS  23 -14.184  -5.326   5.919
  157   2HD   LYS  23          HD2       LYS  23 -14.294  -4.696   4.236
  158   1HE   LYS  23          HE2       LYS  23 -15.517  -7.374   5.180
  159   2HE   LYS  23          HE3       LYS  23 -16.404  -5.801   5.046
  160   1HZ   LYS  23          HZ1       LYS  23 -16.719  -7.157   3.118
  161   2HZ   LYS  23          HZ2       LYS  23 -15.879  -5.737   2.714
  162   3HZ   LYS  23          HZ3       LYS  23 -15.048  -7.216   2.817
  163    H    CYS  24           HN       CYS  24 -11.388  -2.296   5.976
  164    HA   CYS  24           HA       CYS  24  -8.390  -2.265   6.036
  165   1HB   CYS  24          HB2       CYS  24  -9.416  -0.381   4.833
  166   2HB   CYS  24          HB3       CYS  24 -10.361   0.033   6.270
  167    H    MET  25           HN       MET  25  -7.375  -2.143   7.922
  168    HA   MET  25           HA       MET  25  -8.960  -2.260  10.413
  169   1HB   MET  25          HB3       MET  25  -6.810  -4.331   9.526
  170   2HB   MET  25          HB2       MET  25  -7.598  -4.310  11.137
  171   1HG   MET  25          HG3       MET  25  -9.797  -4.904  10.074
  172   2HG   MET  25          HG2       MET  25  -9.049  -4.923   8.460
  173   1HE   MET  25          HE1       MET  25  -8.423  -8.003  11.866
  174   2HE   MET  25          HE2       MET  25  -7.666  -6.384  12.016
  175   3HE   MET  25          HE3       MET  25  -9.456  -6.534  11.898
  176    H    ASN  26           HN       ASN  26  -7.678  -0.218   9.408
  177    HA   ASN  26           HA       ASN  26  -6.628   1.592  10.184
  178   1HB   ASN  26          HB3       ASN  26  -7.184   0.716  12.503
  179   2HB   ASN  26          HB2       ASN  26  -5.524   0.049  12.605
  180   1HD2  ASN  26          HD2       ASN  26  -4.649   1.577  14.201
  181   2HD2  ASN  26          HD2       ASN  26  -4.732   3.297  13.974
  182    H    ARG  27           HN       ARG  27  -5.213   1.710   8.264
  183    HA   ARG  27           HA       ARG  27  -3.416   2.117   7.270
  184   1HB   ARG  27          HB3       ARG  27  -1.836   1.744   9.843
  185   2HB   ARG  27          HB2       ARG  27  -1.178   2.334   8.286
  186   1HG   ARG  27          HG3       ARG  27  -1.634   4.398   8.921
  187   2HG   ARG  27          HG2       ARG  27  -3.337   4.043   8.491
  188   1HD   ARG  27          HD2       ARG  27  -3.820   3.486  10.871
  189   2HD   ARG  27          HD3       ARG  27  -2.104   3.811  11.319
  190    HE   ARG  27           HE       ARG  27  -2.411   6.193  10.832
  191   1HH1  ARG  27          HH1       ARG  27  -5.501   4.446  10.901
  192   2HH1  ARG  27          HH1       ARG  27  -6.373   5.907  10.848
  193   1HH2  ARG  27          HH2       ARG  27  -3.657   7.979  10.668
  194   2HH2  ARG  27          HH2       ARG  27  -5.378   7.862  10.793
  195    H    LYS  28           HN       LYS  28  -4.296  -0.770   7.753
  196    HA   LYS  28           HA       LYS  28  -2.213  -2.123   6.133
  197   1HB   LYS  28          HB3       LYS  28  -2.008  -2.649   8.604
  198   2HB   LYS  28          HB2       LYS  28  -3.649  -3.352   8.580
  199   1HG   LYS  28          HG3       LYS  28  -2.804  -5.127   6.974
  200   2HG   LYS  28          HG2       LYS  28  -1.206  -4.286   6.916
  201   1HD   LYS  28          HD2       LYS  28  -0.919  -4.640   9.376
  202   2HD   LYS  28          HD3       LYS  28  -2.512  -5.475   9.440
  203   1HE   LYS  28          HE2       LYS  28  -1.614  -7.292   7.942
  204   2HE   LYS  28          HE3       LYS  28  -0.013  -6.442   7.875
  205   1HZ   LYS  28          HZ1       LYS  28  -1.357  -7.459  10.326
  206   2HZ   LYS  28          HZ2       LYS  28  -0.046  -8.176   9.517
  207   3HZ   LYS  28          HZ3       LYS  28   0.140  -6.660  10.263
  208    H    CYS  29           HN       CYS  29  -3.047  -3.077   4.323
  209    HA   CYS  29           HA       CYS  29  -5.925  -3.163   3.929
  210   1HB   CYS  29          HB2       CYS  29  -3.557  -3.599   1.993
  211   2HB   CYS  29          HB3       CYS  29  -5.265  -3.790   1.505
  212    H    LYS  30           HN       LYS  30  -7.136  -4.727   3.305
  213    HA   LYS  30           HA       LYS  30  -6.223  -7.371   2.542
  214   1HB   LYS  30          HB2       LYS  30  -6.988  -7.673   4.906
  215   2HB   LYS  30          HB3       LYS  30  -8.480  -6.751   4.567
  216   1HG   LYS  30          HG3       LYS  30  -9.182  -8.631   2.932
  217   2HG   LYS  30          HG2       LYS  30  -7.699  -9.532   3.438
  218   1HD   LYS  30          HD2       LYS  30  -8.574  -9.536   5.790
  219   2HD   LYS  30          HD3       LYS  30 -10.010  -8.602   5.256
  220   1HE   LYS  30          HE3       LYS  30 -10.690 -10.511   3.739
  221   2HE   LYS  30          HE2       LYS  30  -9.254 -11.455   4.306
  222   1HZ   LYS  30          HZ1       LYS  30 -11.467 -10.425   6.005
  223   2HZ   LYS  30          HZ2       LYS  30 -11.248 -12.028   5.488
  224   3HZ   LYS  30          HZ3       LYS  30 -10.125 -11.315   6.542
  225    H    CYS  31           HN       CYS  31  -7.124  -7.647   0.463
  226    HA   CYS  31           HA       CYS  31  -9.164  -5.819  -0.473
  227   1HB   CYS  31          HB2       CYS  31  -7.111  -6.298  -1.869
  228   2HB   CYS  31          HB3       CYS  31  -7.695  -7.900  -2.219
  229    H    ASN  32           HN       ASN  32 -11.196  -6.610  -1.535
  230    HA   ASN  32           HA       ASN  32 -12.019  -9.355  -0.818
  231   1HB   ASN  32          HB2       ASN  32 -12.888  -7.661   0.949
  232   2HB   ASN  32          HB3       ASN  32 -13.999  -7.017  -0.310
  233   1HD2  ASN  32          HD2       ASN  32 -15.192  -8.121   1.975
  234   2HD2  ASN  32          HD2       ASN  32 -15.791  -9.712   1.602
  235    H    ARG  33           HN       ARG  33 -14.363  -9.641  -2.134
  236    HA   ARG  33           HA       ARG  33 -13.529  -9.006  -4.918
  237   1HB   ARG  33          HB3       ARG  33 -14.829 -11.442  -3.692
  238   2HB   ARG  33          HB2       ARG  33 -14.683 -11.269  -5.450
  239   1HG   ARG  33          HG3       ARG  33 -12.391 -11.371  -3.318
  240   2HG   ARG  33          HG2       ARG  33 -12.899 -12.690  -4.400
  241   1HD   ARG  33          HD3       ARG  33 -10.773 -11.861  -5.090
  242   2HD   ARG  33          HD2       ARG  33 -11.918 -11.449  -6.411
  243    HE   ARG  33           HE       ARG  33 -11.580  -9.187  -4.487
  244   1HH1  ARG  33          HH1       ARG  33 -10.010 -10.869  -7.197
  245   2HH1  ARG  33          HH1       ARG  33  -8.990  -9.552  -7.596
  246   1HH2  ARG  33          HH2       ARG  33 -10.274  -7.486  -5.137
  247   2HH2  ARG  33          HH2       ARG  33  -9.159  -7.674  -6.467
  248    H    CYS  34           HN       CYS  34 -14.737  -8.663  -6.621
  249    HA   CYS  34           HA       CYS  34 -17.166  -7.210  -6.300
  250   1HB   CYS  34          HB3       CYS  34 -16.656  -6.805  -8.780
  251   2HB   CYS  34          HB2       CYS  34 -15.370  -6.374  -7.629
  252   1HN   NH2  35          HT1       CYS  34 -17.865  -9.989  -5.735
  253   2HN   NH2  35          HT2       CYS  34 -18.805 -10.567  -7.103
  Start of MODEL   13
    1   2H    ALA   1          HN2       ALA   1  -1.277  -3.775  -0.265
    2    H    ALA   1           HN       ALA   1   0.059  -2.996   0.483
    3   3H    ALA   1          HN3       ALA   1  -1.371  -3.220   1.352
    4    HA   ALA   1           HA       ALA   1  -0.766  -1.147  -0.556
    5   1HB   ALA   1          HB1       ALA   1  -2.567  -2.358  -1.814
    6   2HB   ALA   1          HB2       ALA   1  -3.572  -2.504  -0.321
    7   3HB   ALA   1          HB3       ALA   1  -3.291  -0.902  -1.080
    8    H    SER   2           HN       SER   2  -1.847   0.940   0.370
    9    HA   SER   2           HA       SER   2  -2.260   0.721   3.280
   10   1HB   SER   2          HB3       SER   2  -0.940   2.950   1.630
   11   2HB   SER   2          HB2       SER   2  -1.325   3.097   3.391
   12    HG   SER   2           HG       SER   2   0.249   1.761   3.845
   13    H    CYS   3           HN       CYS   3  -3.708   2.465   4.206
   14    HA   CYS   3           HA       CYS   3  -5.485   3.886   2.440
   15   1HB   CYS   3          HB2       CYS   3  -7.609   2.653   3.430
   16   2HB   CYS   3          HB3       CYS   3  -6.635   1.801   2.224
   17    H    ARG   4           HN       ARG   4  -6.905   5.371   3.725
   18    HA   ARG   4           HA       ARG   4  -5.964   5.783   6.497
   19   1HB   ARG   4          HB2       ARG   4  -7.571   7.646   4.654
   20   2HB   ARG   4          HB3       ARG   4  -7.077   7.999   6.335
   21   1HG   ARG   4          HG3       ARG   4  -4.762   7.997   5.872
   22   2HG   ARG   4          HG2       ARG   4  -4.969   7.439   4.182
   23   1HD   ARG   4          HD3       ARG   4  -4.374   9.909   4.479
   24   2HD   ARG   4          HD2       ARG   4  -5.829   9.639   3.455
   25    HE   ARG   4           HE       ARG   4  -6.308  10.015   6.392
   26   1HH1  ARG   4          HH2       ARG   4  -6.017  11.734   3.336
   27   2HH1  ARG   4          HH2       ARG   4  -6.919  13.084   3.932
   28   1HH2  ARG   4          HH1       ARG   4  -7.635  11.613   6.962
   29   2HH2  ARG   4          HH1       ARG   4  -7.782  13.057   6.003
   30    H    THR   5           HN       THR   5  -8.971   5.787   4.469
   31    HA   THR   5           HA       THR   5 -10.483   4.420   6.570
   32    HB   THR   5           HB       THR   5 -12.538   5.479   5.666
   33    HG1  THR   5           HG1      THR   5 -11.802   7.540   4.448
   34   1HG2  THR   5          HG2       THR   5 -12.175   7.767   6.571
   35   2HG2  THR   5          HG2       THR   5 -11.279   6.590   7.584
   36   3HG2  THR   5          HG2       THR   5 -10.396   7.606   6.403
   37    HA   PRO   6           HA       PRO   6 -10.616   1.277   3.432
   38   1HB   PRO   6          HB2       PRO   6 -13.627   0.820   3.725
   39   2HB   PRO   6          HB3       PRO   6 -12.260  -0.299   3.987
   40   1HG   PRO   6          HG2       PRO   6 -13.688   0.845   6.083
   41   2HG   PRO   6          HG3       PRO   6 -11.910   0.588   6.205
   42   1HD   PRO   6          HD2       PRO   6 -13.378   3.162   5.420
   43   2HD   PRO   6          HD3       PRO   6 -12.033   2.911   6.635
   44    H    LYS   7           HN       LYS   7 -12.844   3.857   2.826
   45    HA   LYS   7           HA       LYS   7 -13.636   3.417   0.169
   46   1HB   LYS   7          HB3       LYS   7 -13.324   6.025   1.772
   47   2HB   LYS   7          HB2       LYS   7 -14.208   5.878   0.222
   48   1HG   LYS   7          HG3       LYS   7 -14.942   4.440   2.856
   49   2HG   LYS   7          HG2       LYS   7 -15.693   5.939   2.226
   50   1HD   LYS   7          HD3       LYS   7 -15.814   3.180   0.836
   51   2HD   LYS   7          HD2       LYS   7 -17.093   3.929   1.847
   52   1HE   LYS   7          HE3       LYS   7 -17.306   5.827   0.217
   53   2HE   LYS   7          HE2       LYS   7 -16.076   5.037  -0.851
   54   1HZ   LYS   7          HZ1       LYS   7 -17.505   3.112  -0.977
   55   2HZ   LYS   7          HZ2       LYS   7 -18.660   3.856   0.022
   56   3HZ   LYS   7          HZ3       LYS   7 -18.308   4.513  -1.505
   57    H    ASP   8           HN       ASP   8 -10.444   4.290   1.358
   58    HA   ASP   8           HA       ASP   8  -9.578   5.408  -1.201
   59   1HB   ASP   8          HB3       ASP   8  -7.953   4.747   1.350
   60   2HB   ASP   8          HB2       ASP   8  -7.389   5.702  -0.077
   61    H    CYS   9           HN       CYS   9 -10.139   2.162  -0.020
   62    HA   CYS   9           HA       CYS   9  -7.832   1.139  -1.517
   63   1HB   CYS   9          HB3       CYS   9  -8.109   0.730   1.003
   64   2HB   CYS   9          HB2       CYS   9  -9.277  -0.538   0.552
   65    H    ALA  10           HN       ALA  10  -9.826   2.107  -2.881
   66    HA   ALA  10           HA       ALA  10 -11.200  -0.156  -4.183
   67   1HB   ALA  10          HB1       ALA  10 -11.248   2.850  -4.903
   68   2HB   ALA  10          HB2       ALA  10 -12.264   1.539  -5.619
   69   3HB   ALA  10          HB3       ALA  10 -12.455   1.985  -3.892
   70    H    ASP  11           HN       ASP  11  -9.014   2.565  -5.397
   71    HA   ASP  11           HA       ASP  11  -8.069   1.100  -7.572
   72   1HB   ASP  11          HB3       ASP  11  -8.309   3.563  -7.444
   73   2HB   ASP  11          HB2       ASP  11  -6.898   3.647  -6.348
   74    HA   PRO  12           HA       PRO  12  -3.923   0.083  -5.179
   75   1HB   PRO  12          HB3       PRO  12  -4.984  -0.078  -2.282
   76   2HB   PRO  12          HB2       PRO  12  -3.370   0.479  -2.881
   77   1HG   PRO  12          HG2       PRO  12  -5.369   2.134  -2.005
   78   2HG   PRO  12          HG3       PRO  12  -4.308   2.625  -3.408
   79   1HD   PRO  12          HD3       PRO  12  -7.096   1.413  -3.422
   80   2HD   PRO  12          HD2       PRO  12  -6.459   2.813  -4.409
   81    H    CYS  13           HN       CYS  13  -7.084  -1.224  -3.957
   82    HA   CYS  13           HA       CYS  13  -6.177  -3.939  -3.570
   83   1HB   CYS  13          HB3       CYS  13  -8.250  -2.379  -2.661
   84   2HB   CYS  13          HB2       CYS  13  -9.131  -3.301  -3.828
   85    H    ARG  14           HN       ARG  14  -7.613  -2.029  -6.193
   86    HA   ARG  14           HA       ARG  14  -8.014  -4.042  -8.163
   87   1HB   ARG  14          HB3       ARG  14  -9.226  -1.928  -8.193
   88   2HB   ARG  14          HB2       ARG  14  -7.688  -1.012  -8.310
   89   1HG   ARG  14          HG3       ARG  14  -7.294  -2.025 -10.577
   90   2HG   ARG  14          HG2       ARG  14  -8.784  -3.011 -10.369
   91   1HD   ARG  14          HD2       ARG  14  -8.560   0.068 -10.872
   92   2HD   ARG  14          HD3       ARG  14  -9.264  -1.207 -11.931
   93    HE   ARG  14           HE       ARG  14 -10.644  -1.164  -9.354
   94   1HH1  ARG  14          HH2       ARG  14 -10.259   0.819 -12.208
   95   2HH1  ARG  14          HH2       ARG  14 -11.698   1.736 -11.890
   96   1HH2  ARG  14          HH1       ARG  14 -12.704  -0.182  -9.244
   97   2HH2  ARG  14          HH1       ARG  14 -13.069   1.148 -10.292
   98    H    LYS  15           HN       LYS  15  -5.173  -2.559  -6.897
   99    HA   LYS  15           HA       LYS  15  -3.622  -3.165  -9.308
  100   1HB   LYS  15          HB2       LYS  15  -3.003  -1.543  -6.776
  101   2HB   LYS  15          HB3       LYS  15  -1.691  -2.007  -7.886
  102   1HG   LYS  15          HG3       LYS  15  -4.084  -0.274  -8.673
  103   2HG   LYS  15          HG2       LYS  15  -2.417   0.263  -8.273
  104   1HD   LYS  15          HD3       LYS  15  -1.669  -1.323 -10.228
  105   2HD   LYS  15          HD2       LYS  15  -3.416  -1.339 -10.680
  106   1HE   LYS  15          HE3       LYS  15  -1.614   1.173 -10.418
  107   2HE   LYS  15          HE2       LYS  15  -2.100   0.381 -11.973
  108   1HZ   LYS  15          HZ1       LYS  15  -3.458   2.275 -11.456
  109   2HZ   LYS  15          HZ2       LYS  15  -4.390   0.855 -11.432
  110   3HZ   LYS  15          HZ3       LYS  15  -3.936   1.596  -9.973
  111    H    GLU  16           HN       GLU  16  -3.631  -3.932  -5.742
  112    HA   GLU  16           HA       GLU  16  -1.551  -5.949  -6.074
  113   1HB   GLU  16          HB2       GLU  16  -1.717  -6.487  -3.655
  114   2HB   GLU  16          HB3       GLU  16  -1.585  -4.732  -3.840
  115   1HG   GLU  16          HG2       GLU  16  -4.196  -4.700  -3.704
  116   2HG   GLU  16          HG3       GLU  16  -4.148  -6.445  -3.308
  117    H    THR  17           HN       THR  17  -5.101  -6.120  -5.894
  118    HA   THR  17           HA       THR  17  -4.964  -9.075  -6.042
  119    HB   THR  17           HB       THR  17  -7.373  -7.447  -5.079
  120    HG1  THR  17           HG1      THR  17  -5.263  -8.653  -3.650
  121    H    GLY  18           HN       GLY  18  -6.788  -6.208  -7.117
  122   1HA   GLY  18          HA1       GLY  18  -6.818  -5.857  -9.554
  123   2HA   GLY  18          HA2       GLY  18  -7.255  -7.550  -9.764
  124    H    CYS  19           HN       CYS  19  -8.837  -6.553  -7.103
  125    HA   CYS  19           HA       CYS  19 -11.324  -5.873  -8.573
  126   1HB   CYS  19          HB2       CYS  19 -10.785  -7.825  -6.212
  127   2HB   CYS  19          HB3       CYS  19 -12.437  -7.322  -6.672
  128    HA   PRO  20           HA       PRO  20 -11.148  -2.482  -5.824
  129   1HB   PRO  20          HB2       PRO  20 -13.325  -1.163  -6.672
  130   2HB   PRO  20          HB3       PRO  20 -12.030  -1.639  -7.812
  131   1HG   PRO  20          HG3       PRO  20 -14.686  -3.071  -7.219
  132   2HG   PRO  20          HG2       PRO  20 -14.082  -2.548  -8.847
  133   1HD   PRO  20          HD2       PRO  20 -13.678  -5.113  -7.747
  134   2HD   PRO  20          HD3       PRO  20 -12.522  -4.296  -8.907
  135    H    TYR  21           HN       TYR  21 -11.988  -4.835  -4.123
  136    HA   TYR  21           HA       TYR  21 -13.964  -3.435  -2.382
  137   1HB   TYR  21          HB3       TYR  21 -13.961  -6.493  -3.012
  138   2HB   TYR  21          HB2       TYR  21 -15.126  -5.671  -1.944
  139    HD1  TYR  21           HD1      TYR  21 -16.215  -3.364  -3.534
  140    HD2  TYR  21           HD2      TYR  21 -14.907  -7.285  -4.776
  141    HE1  TYR  21           HE1      TYR  21 -17.607  -3.198  -5.534
  142    HE2  TYR  21           HE2      TYR  21 -16.329  -7.119  -6.761
  143    HH   TYR  21           HH       TYR  21 -18.366  -4.276  -7.429
  144    H    GLY  22           HN       GLY  22 -12.459  -2.751  -0.732
  145   1HA   GLY  22          HA1       GLY  22 -11.286  -5.068   0.746
  146   2HA   GLY  22          HA2       GLY  22 -10.223  -3.728   0.218
  147    H    LYS  23           HN       LYS  23 -10.946  -4.763   3.012
  148    HA   LYS  23           HA       LYS  23 -12.032  -2.282   4.145
  149   1HB   LYS  23          HB2       LYS  23 -13.403  -4.330   4.478
  150   2HB   LYS  23          HB3       LYS  23 -12.051  -5.126   5.341
  151   1HG   LYS  23          HG2       LYS  23 -12.220  -3.293   7.121
  152   2HG   LYS  23          HG3       LYS  23 -13.574  -2.548   6.204
  153   1HD   LYS  23          HD3       LYS  23 -13.579  -5.411   7.318
  154   2HD   LYS  23          HD2       LYS  23 -14.236  -3.986   8.195
  155   1HE   LYS  23          HE2       LYS  23 -15.304  -4.996   5.462
  156   2HE   LYS  23          HE3       LYS  23 -16.009  -5.376   7.079
  157   1HZ   LYS  23          HZ1       LYS  23 -16.354  -3.034   7.440
  158   2HZ   LYS  23          HZ2       LYS  23 -15.684  -2.658   5.925
  159   3HZ   LYS  23          HZ3       LYS  23 -17.123  -3.556   6.018
  160    H    CYS  24           HN       CYS  24 -10.975  -1.257   5.646
  161    HA   CYS  24           HA       CYS  24  -8.083  -1.668   5.698
  162   1HB   CYS  24          HB2       CYS  24  -9.220   0.355   4.820
  163   2HB   CYS  24          HB3       CYS  24  -9.796   0.745   6.440
  164    H    MET  25           HN       MET  25  -7.169  -2.690   7.289
  165    HA   MET  25           HA       MET  25  -8.081  -2.345  10.110
  166   1HB   MET  25          HB3       MET  25  -7.055  -4.872   8.650
  167   2HB   MET  25          HB2       MET  25  -7.206  -4.751  10.440
  168   1HG   MET  25          HG3       MET  25  -9.490  -4.739   8.396
  169   2HG   MET  25          HG2       MET  25  -9.040  -6.011   9.562
  170   1HE   MET  25          HE1       MET  25 -11.805  -5.042   9.012
  171   2HE   MET  25          HE2       MET  25 -11.552  -6.207  10.358
  172   3HE   MET  25          HE3       MET  25 -12.589  -4.765  10.609
  173    H    ASN  26           HN       ASN  26  -6.559  -1.048  11.031
  174    HA   ASN  26           HA       ASN  26  -4.706   0.015  11.511
  175   1HB   ASN  26          HB2       ASN  26  -4.446  -2.442  12.396
  176   2HB   ASN  26          HB3       ASN  26  -3.115  -2.624  11.219
  177   1HD2  ASN  26          HD2       ASN  26  -1.498  -0.580  11.480
  178   2HD2  ASN  26          HD2       ASN  26  -1.152  -0.108  13.133
  179    H    ARG  27           HN       ARG  27  -5.291   0.324   8.810
  180    HA   ARG  27           HA       ARG  27  -4.619   1.355   7.025
  181   1HB   ARG  27          HB3       ARG  27  -1.746   1.245   7.997
  182   2HB   ARG  27          HB2       ARG  27  -2.289   2.072   6.494
  183   1HG   ARG  27          HG3       ARG  27  -3.788   3.502   7.665
  184   2HG   ARG  27          HG2       ARG  27  -3.408   2.788   9.272
  185   1HD   ARG  27          HD2       ARG  27  -1.193   3.681   9.319
  186   2HD   ARG  27          HD3       ARG  27  -1.231   4.053   7.520
  187    HE   ARG  27           HE       ARG  27  -3.453   5.321   8.944
  188   1HH1  ARG  27          HH1       ARG  27  -0.093   5.816   8.156
  189   2HH1  ARG  27          HH1       ARG  27  -0.245   7.562   8.191
  190   1HH2  ARG  27          HH2       ARG  27  -3.649   7.457   8.856
  191   2HH2  ARG  27          HH2       ARG  27  -2.305   8.470   8.479
  192    H    LYS  28           HN       LYS  28  -4.431  -1.868   7.475
  193    HA   LYS  28           HA       LYS  28  -3.245  -2.402   4.802
  194   1HB   LYS  28          HB2       LYS  28  -3.624  -4.343   7.178
  195   2HB   LYS  28          HB3       LYS  28  -2.985  -4.785   5.570
  196   1HG   LYS  28          HG2       LYS  28  -1.634  -2.905   7.605
  197   2HG   LYS  28          HG3       LYS  28  -1.186  -4.586   7.196
  198   1HD   LYS  28          HD2       LYS  28  -1.105  -2.172   5.263
  199   2HD   LYS  28          HD3       LYS  28   0.296  -2.839   6.163
  200   1HE   LYS  28          HE3       LYS  28   0.245  -4.940   4.919
  201   2HE   LYS  28          HE2       LYS  28  -1.311  -4.501   4.112
  202   1HZ   LYS  28          HZ1       LYS  28  -0.218  -2.655   3.056
  203   2HZ   LYS  28          HZ2       LYS  28   1.258  -3.048   3.796
  204   3HZ   LYS  28          HZ3       LYS  28   0.553  -4.121   2.685
  205    H    CYS  29           HN       CYS  29  -4.372  -3.501   3.231
  206    HA   CYS  29           HA       CYS  29  -7.274  -3.596   3.573
  207   1HB   CYS  29          HB2       CYS  29  -5.656  -3.738   0.976
  208   2HB   CYS  29          HB3       CYS  29  -7.431  -3.570   1.136
  209    H    LYS  30           HN       LYS  30  -8.246  -5.501   3.973
  210    HA   LYS  30           HA       LYS  30  -7.160  -8.025   2.902
  211   1HB   LYS  30          HB3       LYS  30  -8.637  -9.200   4.429
  212   2HB   LYS  30          HB2       LYS  30  -7.613  -8.031   5.307
  213   1HG   LYS  30          HG3       LYS  30  -9.626  -6.411   5.341
  214   2HG   LYS  30          HG2       LYS  30 -10.595  -7.768   4.679
  215   1HD   LYS  30          HD2       LYS  30  -9.738  -9.186   6.647
  216   2HD   LYS  30          HD3       LYS  30  -9.094  -7.671   7.366
  217   1HE   LYS  30          HE3       LYS  30 -11.480  -6.735   7.347
  218   2HE   LYS  30          HE2       LYS  30 -12.062  -8.316   6.683
  219   1HZ   LYS  30          HZ1       LYS  30 -10.641  -7.920   9.263
  220   2HZ   LYS  30          HZ2       LYS  30 -12.303  -8.197   9.051
  221   3HZ   LYS  30          HZ3       LYS  30 -11.181  -9.402   8.633
  222    H    CYS  31           HN       CYS  31  -7.757  -8.352   0.879
  223    HA   CYS  31           HA       CYS  31  -9.923  -6.816  -0.239
  224   1HB   CYS  31          HB3       CYS  31  -7.424  -7.075  -1.061
  225   2HB   CYS  31          HB2       CYS  31  -7.989  -8.516  -1.911
  226    H    ASN  32           HN       ASN  32 -11.619  -7.460  -1.371
  227    HA   ASN  32           HA       ASN  32 -12.446 -10.314  -1.319
  228   1HB   ASN  32          HB3       ASN  32 -14.378  -7.928  -1.570
  229   2HB   ASN  32          HB2       ASN  32 -14.711  -9.588  -0.996
  230   1HD2  ASN  32          HD2       ASN  32 -13.337  -6.457  -0.001
  231   2HD2  ASN  32          HD2       ASN  32 -13.574  -6.809   1.706
  232    H    ARG  33           HN       ARG  33 -13.901 -10.836  -2.975
  233    HA   ARG  33           HA       ARG  33 -12.371 -10.950  -5.337
  234   1HB   ARG  33          HB3       ARG  33 -14.311 -12.934  -5.415
  235   2HB   ARG  33          HB2       ARG  33 -12.847 -12.972  -4.432
  236   1HG   ARG  33          HG2       ARG  33 -14.656 -13.796  -3.220
  237   2HG   ARG  33          HG3       ARG  33 -14.289 -12.285  -2.393
  238   1HD   ARG  33          HD3       ARG  33 -16.667 -12.945  -4.284
  239   2HD   ARG  33          HD2       ARG  33 -16.688 -12.775  -2.474
  240    HE   ARG  33           HE       ARG  33 -15.829 -10.319  -3.975
  241   1HH1  ARG  33          HH1       ARG  33 -18.749 -12.016  -2.890
  242   2HH1  ARG  33          HH1       ARG  33 -19.723 -10.775  -3.616
  243   1HH2  ARG  33          HH2       ARG  33 -17.100  -8.973  -4.809
  244   2HH2  ARG  33          HH2       ARG  33 -18.834  -8.984  -4.508
  245    H    CYS  34           HN       CYS  34 -13.117 -10.997  -7.574
  246    HA   CYS  34           HA       CYS  34 -15.722 -10.210  -8.286
  247   1HB   CYS  34          HB2       CYS  34 -15.299  -8.177  -9.446
  248   2HB   CYS  34          HB3       CYS  34 -14.593  -7.918  -7.831
  249   1HN   CYS  35          HT1       CYS  34 -15.851 -10.670 -10.773
  250   2HN   CYS  35          HT2       CYS  34 -14.562 -11.640 -11.450
  Start of MODEL   14
    1   2H    ALA   1          HN2       ALA   1  -0.904  -1.414   2.027
    2    H    ALA   1           HN       ALA   1  -0.162  -0.024   2.676
    3   3H    ALA   1          HN3       ALA   1  -1.692  -0.494   3.213
    4    HA   ALA   1           HA       ALA   1  -1.017   0.472   0.462
    5   1HB   ALA   1          HB1       ALA   1  -3.769  -0.251   1.748
    6   2HB   ALA   1          HB2       ALA   1  -3.544   0.276   0.047
    7   3HB   ALA   1          HB3       ALA   1  -2.898  -1.291   0.578
    8    H    SER   2           HN       SER   2  -2.507   2.590   0.025
    9    HA   SER   2           HA       SER   2  -2.027   4.580   2.026
   10   1HB   SER   2          HB3       SER   2  -3.034   5.986   0.048
   11   2HB   SER   2          HB2       SER   2  -1.599   5.003  -0.384
   12    HG   SER   2           HG       SER   2  -4.330   4.418  -0.869
   13    H    CYS   3           HN       CYS   3  -3.678   3.348   3.677
   14    HA   CYS   3           HA       CYS   3  -6.334   4.488   3.098
   15   1HB   CYS   3          HB2       CYS   3  -7.642   2.476   3.333
   16   2HB   CYS   3          HB3       CYS   3  -6.520   2.400   1.975
   17    H    ARG   4           HN       ARG   4  -7.089   5.574   4.703
   18    HA   ARG   4           HA       ARG   4  -6.674   4.772   7.472
   19   1HB   ARG   4          HB2       ARG   4  -7.890   7.275   6.114
   20   2HB   ARG   4          HB3       ARG   4  -7.961   6.991   7.886
   21   1HG   ARG   4          HG3       ARG   4  -5.391   7.383   6.274
   22   2HG   ARG   4          HG2       ARG   4  -6.219   8.534   7.385
   23   1HD   ARG   4          HD2       ARG   4  -5.823   6.826   9.297
   24   2HD   ARG   4          HD3       ARG   4  -4.827   5.885   8.096
   25    HE   ARG   4           HE       ARG   4  -4.201   8.805   8.491
   26   1HH1  ARG   4          HH1       ARG   4  -3.527   5.561   9.624
   27   2HH1  ARG   4          HH1       ARG   4  -2.071   6.046  10.417
   28   1HH2  ARG   4          HH2       ARG   4  -2.269   9.344   9.451
   29   2HH2  ARG   4          HH2       ARG   4  -1.383   8.160  10.340
   30    H    THR   5           HN       THR   5  -9.226   5.162   4.897
   31    HA   THR   5           HA       THR   5 -10.956   3.425   6.525
   32    HB   THR   5           HB       THR   5 -12.966   4.372   5.559
   33    HG1  THR   5           HG1      THR   5 -12.515   6.601   4.654
   34   1HG2  THR   5          HG2       THR   5 -12.947   6.553   6.779
   35   2HG2  THR   5          HG2       THR   5 -12.039   5.317   7.714
   36   3HG2  THR   5          HG2       THR   5 -11.149   6.570   6.782
   37    HA   PRO   6           HA       PRO   6 -10.430   0.627   3.099
   38   1HB   PRO   6          HB2       PRO   6 -13.378  -0.160   3.285
   39   2HB   PRO   6          HB3       PRO   6 -11.901  -1.176   3.401
   40   1HG   PRO   6          HG3       PRO   6 -13.362  -0.494   5.636
   41   2HG   PRO   6          HG2       PRO   6 -11.547  -0.465   5.683
   42   1HD   PRO   6          HD3       PRO   6 -13.379   1.939   5.299
   43   2HD   PRO   6          HD2       PRO   6 -11.945   1.639   6.411
   44    H    LYS   7           HN       LYS   7 -12.830   3.090   2.641
   45    HA   LYS   7           HA       LYS   7 -13.470   2.794  -0.103
   46   1HB   LYS   7          HB3       LYS   7 -13.544   5.268   1.723
   47   2HB   LYS   7          HB2       LYS   7 -14.323   5.143   0.106
   48   1HG   LYS   7          HG3       LYS   7 -15.037   3.367   2.524
   49   2HG   LYS   7          HG2       LYS   7 -15.895   4.865   2.023
   50   1HD   LYS   7          HD3       LYS   7 -16.498   3.876  -0.150
   51   2HD   LYS   7          HD2       LYS   7 -15.623   2.353   0.244
   52   1HE   LYS   7          HE3       LYS   7 -17.171   1.902   2.136
   53   2HE   LYS   7          HE2       LYS   7 -18.024   3.472   1.833
   54   1HZ   LYS   7          HZ1       LYS   7 -17.810   1.200  -0.071
   55   2HZ   LYS   7          HZ2       LYS   7 -19.169   1.619   0.858
   56   3HZ   LYS   7          HZ3       LYS   7 -18.608   2.671  -0.352
   57    H    ASP   8           HN       ASP   8 -10.496   3.778   1.413
   58    HA   ASP   8           HA       ASP   8  -9.481   5.141  -0.962
   59   1HB   ASP   8          HB3       ASP   8  -7.979   4.486   1.644
   60   2HB   ASP   8          HB2       ASP   8  -7.511   5.665   0.365
   61    H    CYS   9           HN       CYS   9  -9.820   1.767  -0.033
   62    HA   CYS   9           HA       CYS   9  -7.172   1.071  -1.007
   63   1HB   CYS   9          HB2       CYS   9  -8.392  -0.372   0.998
   64   2HB   CYS   9          HB3       CYS   9  -9.061  -1.195  -0.372
   65    H    ALA  10           HN       ALA  10  -9.970   1.773  -2.582
   66    HA   ALA  10           HA       ALA  10 -10.726  -0.021  -4.381
   67   1HB   ALA  10          HB1       ALA  10 -11.673   2.222  -4.156
   68   2HB   ALA  10          HB2       ALA  10 -10.271   2.942  -5.011
   69   3HB   ALA  10          HB3       ALA  10 -11.399   1.830  -5.884
   70    H    ASP  11           HN       ASP  11  -8.057   2.177  -5.284
   71    HA   ASP  11           HA       ASP  11  -7.167   0.632  -7.551
   72   1HB   ASP  11          HB2       ASP  11  -5.890   3.143  -6.313
   73   2HB   ASP  11          HB3       ASP  11  -5.441   2.405  -7.893
   74    HA   PRO  12           HA       PRO  12  -3.287  -0.422  -4.912
   75   1HB   PRO  12          HB3       PRO  12  -3.302  -0.290  -2.134
   76   2HB   PRO  12          HB2       PRO  12  -2.846   1.079  -3.210
   77   1HG   PRO  12          HG3       PRO  12  -5.593   0.467  -2.126
   78   2HG   PRO  12          HG2       PRO  12  -4.713   2.011  -1.856
   79   1HD   PRO  12          HD2       PRO  12  -6.507   1.897  -3.843
   80   2HD   PRO  12          HD3       PRO  12  -4.857   2.535  -4.282
   81    H    CYS  13           HN       CYS  13  -6.601  -1.351  -3.739
   82    HA   CYS  13           HA       CYS  13  -5.769  -4.077  -3.126
   83   1HB   CYS  13          HB3       CYS  13  -8.029  -2.688  -2.370
   84   2HB   CYS  13          HB2       CYS  13  -8.717  -3.578  -3.697
   85    H    ARG  14           HN       ARG  14  -7.054  -2.341  -5.990
   86    HA   ARG  14           HA       ARG  14  -7.534  -4.587  -7.730
   87   1HB   ARG  14          HB3       ARG  14  -8.708  -2.441  -7.966
   88   2HB   ARG  14          HB2       ARG  14  -7.175  -1.567  -8.271
   89   1HG   ARG  14          HG3       ARG  14  -6.946  -3.047 -10.428
   90   2HG   ARG  14          HG2       ARG  14  -8.522  -3.769  -9.943
   91   1HD   ARG  14          HD3       ARG  14  -8.091  -0.934 -11.034
   92   2HD   ARG  14          HD2       ARG  14  -8.980  -2.304 -11.760
   93    HE   ARG  14           HE       ARG  14  -9.771  -0.830  -9.208
   94    HH1  ARG  14           HH1      ARG  14 -13.054  -0.956 -10.139
   95    HH1  ARG  14           HH1      ARG  14 -11.839  -0.065  -9.293
   96    HH2  ARG  14           HH2      ARG  14 -12.475  -2.648 -11.488
   97    HH2  ARG  14           HH2      ARG  14 -10.825  -3.196 -11.513
   98    H    LYS  15           HN       LYS  15  -4.922  -2.123  -7.411
   99    HA   LYS  15           HA       LYS  15  -3.263  -3.018  -9.451
  100   1HB   LYS  15          HB2       LYS  15  -3.361  -0.776  -8.294
  101   2HB   LYS  15          HB3       LYS  15  -2.503  -1.474  -6.889
  102   1HG   LYS  15          HG3       LYS  15  -0.477  -1.861  -8.340
  103   2HG   LYS  15          HG2       LYS  15  -1.427  -1.353  -9.775
  104   1HD   LYS  15          HD3       LYS  15   0.041   0.369  -9.151
  105   2HD   LYS  15          HD2       LYS  15  -1.628   0.963  -8.827
  106   1HE   LYS  15          HE3       LYS  15   0.256  -0.159  -6.614
  107   2HE   LYS  15          HE2       LYS  15   0.271   1.574  -7.137
  108   1HZ   LYS  15          HZ1       LYS  15  -2.083   0.131  -6.061
  109   2HZ   LYS  15          HZ2       LYS  15  -1.103   1.245  -5.233
  110   3HZ   LYS  15          HZ3       LYS  15  -2.030   1.754  -6.562
  111    H    GLU  16           HN       GLU  16  -3.591  -4.152  -6.215
  112    HA   GLU  16           HA       GLU  16  -1.348  -6.072  -6.456
  113   1HB   GLU  16          HB2       GLU  16  -1.428  -6.616  -4.073
  114   2HB   GLU  16          HB3       GLU  16  -1.366  -4.840  -4.237
  115   1HG   GLU  16          HG3       GLU  16  -3.958  -4.974  -4.031
  116   2HG   GLU  16          HG2       GLU  16  -3.762  -6.648  -3.440
  117    H    THR  17           HN       THR  17  -4.930  -6.272  -5.660
  118    HA   THR  17           HA       THR  17  -4.831  -9.065  -6.659
  119    HB   THR  17           HB       THR  17  -6.623  -9.471  -4.783
  120    HG1  THR  17           HG1      THR  17  -6.344  -6.914  -4.452
  121    H    GLY  18           HN       GLY  18  -5.830  -6.670  -8.319
  122   1HA   GLY  18          HA1       GLY  18  -7.126  -6.977 -10.084
  123   2HA   GLY  18          HA2       GLY  18  -8.013  -8.271  -9.280
  124    H    CYS  19           HN       CYS  19  -9.237  -6.616  -7.152
  125    HA   CYS  19           HA       CYS  19 -11.046  -4.870  -8.766
  126   1HB   CYS  19          HB2       CYS  19 -11.588  -7.633  -7.814
  127   2HB   CYS  19          HB3       CYS  19 -12.713  -6.521  -7.006
  128    HA   PRO  20           HA       PRO  20 -10.888  -2.327  -5.399
  129   1HB   PRO  20          HB2       PRO  20 -13.012  -0.722  -5.784
  130   2HB   PRO  20          HB3       PRO  20 -11.902  -1.071  -7.133
  131   1HG   PRO  20          HG3       PRO  20 -14.577  -2.461  -6.494
  132   2HG   PRO  20          HG2       PRO  20 -14.102  -1.674  -8.057
  133   1HD   PRO  20          HD3       PRO  20 -13.746  -4.408  -7.462
  134   2HD   PRO  20          HD2       PRO  20 -12.667  -3.476  -8.612
  135    H    TYR  21           HN       TYR  21 -11.794  -4.856  -4.427
  136    HA   TYR  21           HA       TYR  21 -13.881  -4.284  -2.381
  137   1HB   TYR  21          HB3       TYR  21 -13.399  -6.744  -4.225
  138   2HB   TYR  21          HB2       TYR  21 -13.628  -7.114  -2.536
  139    HD1  TYR  21           HD1      TYR  21 -15.645  -6.849  -1.368
  140    HD2  TYR  21           HD2      TYR  21 -15.246  -5.417  -5.399
  141    HE1  TYR  21           HE1      TYR  21 -18.058  -6.829  -1.561
  142    HE2  TYR  21           HE2      TYR  21 -17.747  -5.345  -5.603
  143    HH   TYR  21           HH       TYR  21 -19.858  -6.568  -3.025
  144    H    GLY  22           HN       GLY  22 -12.331  -3.296  -0.838
  145   1HA   GLY  22          HA1       GLY  22 -10.792  -5.459   0.535
  146   2HA   GLY  22          HA2       GLY  22  -9.994  -3.900   0.155
  147    H    LYS  23           HN       LYS  23 -10.421  -5.337   2.720
  148    HA   LYS  23           HA       LYS  23 -11.920  -3.282   4.196
  149   1HB   LYS  23          HB2       LYS  23 -11.522  -6.218   4.951
  150   2HB   LYS  23          HB3       LYS  23 -12.327  -5.058   5.961
  151   1HG   LYS  23          HG3       LYS  23 -14.189  -4.673   4.515
  152   2HG   LYS  23          HG2       LYS  23 -13.549  -5.701   3.202
  153   1HD   LYS  23          HD3       LYS  23 -14.349  -6.703   5.995
  154   2HD   LYS  23          HD2       LYS  23 -15.288  -6.828   4.468
  155   1HE   LYS  23          HE2       LYS  23 -13.420  -8.195   3.435
  156   2HE   LYS  23          HE3       LYS  23 -12.569  -8.200   5.033
  157   1HZ   LYS  23          HZ1       LYS  23 -14.506  -9.229   5.994
  158   2HZ   LYS  23          HZ2       LYS  23 -15.299  -9.226   4.491
  159   3HZ   LYS  23          HZ3       LYS  23 -13.886 -10.147   4.705
  160    H    CYS  24           HN       CYS  24 -10.615  -2.034   5.184
  161    HA   CYS  24           HA       CYS  24  -7.772  -2.586   5.586
  162   1HB   CYS  24          HB2       CYS  24  -8.428  -0.853   3.899
  163   2HB   CYS  24          HB3       CYS  24  -9.350   0.019   5.167
  164    H    MET  25           HN       MET  25  -7.203  -2.927   7.645
  165    HA   MET  25           HA       MET  25  -8.699  -1.636   9.891
  166   1HB   MET  25          HB3       MET  25  -7.328  -4.397   9.765
  167   2HB   MET  25          HB2       MET  25  -7.973  -3.685  11.274
  168   1HG   MET  25          HG2       MET  25 -10.257  -3.838  10.552
  169   2HG   MET  25          HG3       MET  25  -9.831  -4.339   8.900
  170   1HE   MET  25          HE1       MET  25  -8.509  -7.940   9.189
  171   2HE   MET  25          HE2       MET  25  -8.806  -6.501   8.153
  172   3HE   MET  25          HE3       MET  25  -7.419  -6.521   9.302
  173    H    ASN  26           HN       ASN  26  -7.099  -0.126   8.872
  174    HA   ASN  26           HA       ASN  26  -5.629   1.446   9.406
  175   1HB   ASN  26          HB3       ASN  26  -5.506   0.761  11.804
  176   2HB   ASN  26          HB2       ASN  26  -4.130  -0.308  11.391
  177   1HD2  ASN  26          HD2       ASN  26  -2.858   1.055  12.932
  178   2HD2  ASN  26          HD2       ASN  26  -2.224   2.572  12.307
  179    H    ARG  27           HN       ARG  27  -4.925   1.371   7.162
  180    HA   ARG  27           HA       ARG  27  -3.787   1.116   5.460
  181   1HB   ARG  27          HB3       ARG  27  -1.330   0.599   7.160
  182   2HB   ARG  27          HB2       ARG  27  -1.428   1.347   5.520
  183   1HG   ARG  27          HG3       ARG  27  -2.997   3.146   6.666
  184   2HG   ARG  27          HG2       ARG  27  -2.403   2.449   8.207
  185   1HD   ARG  27          HD3       ARG  27  -1.006   4.332   7.899
  186   2HD   ARG  27          HD2       ARG  27   0.006   2.959   7.328
  187    HE   ARG  27           HE       ARG  27  -0.216   3.745   5.072
  188   1HH1  ARG  27          HH1       ARG  27  -2.546   5.444   7.003
  189   2HH1  ARG  27          HH1       ARG  27  -2.644   6.798   5.954
  190   1HH2  ARG  27          HH2       ARG  27  -0.225   5.591   3.777
  191   2HH2  ARG  27          HH2       ARG  27  -1.306   6.896   4.151
  192    H    LYS  28           HN       LYS  28  -4.240  -1.870   6.950
  193    HA   LYS  28           HA       LYS  28  -2.875  -3.341   4.747
  194   1HB   LYS  28          HB2       LYS  28  -3.753  -4.395   7.514
  195   2HB   LYS  28          HB3       LYS  28  -3.071  -5.389   6.192
  196   1HG   LYS  28          HG3       LYS  28  -0.951  -4.048   6.251
  197   2HG   LYS  28          HG2       LYS  28  -1.593  -3.100   7.632
  198   1HD   LYS  28          HD3       LYS  28  -0.166  -4.781   8.542
  199   2HD   LYS  28          HD2       LYS  28  -1.857  -5.216   8.959
  200   1HE   LYS  28          HE2       LYS  28  -1.837  -6.980   7.141
  201   2HE   LYS  28          HE3       LYS  28  -0.149  -6.492   6.699
  202   1HZ   LYS  28          HZ1       LYS  28   0.541  -7.095   8.918
  203   2HZ   LYS  28          HZ2       LYS  28  -1.044  -7.547   9.331
  204   3HZ   LYS  28          HZ3       LYS  28  -0.204  -8.402   8.128
  205    H    CYS  29           HN       CYS  29  -4.192  -3.873   3.043
  206    HA   CYS  29           HA       CYS  29  -7.067  -4.097   3.519
  207   1HB   CYS  29          HB2       CYS  29  -5.597  -4.146   0.823
  208   2HB   CYS  29          HB3       CYS  29  -7.364  -3.947   1.117
  209    H    LYS  30           HN       LYS  30  -7.928  -5.988   3.906
  210    HA   LYS  30           HA       LYS  30  -6.841  -8.506   2.807
  211   1HB   LYS  30          HB2       LYS  30  -9.251  -8.023   4.690
  212   2HB   LYS  30          HB3       LYS  30  -8.508  -9.607   4.288
  213   1HG   LYS  30          HG2       LYS  30  -7.274  -7.298   5.921
  214   2HG   LYS  30          HG3       LYS  30  -7.925  -8.844   6.552
  215   1HD   LYS  30          HD3       LYS  30  -5.467  -8.577   4.704
  216   2HD   LYS  30          HD2       LYS  30  -5.397  -8.706   6.486
  217   1HE   LYS  30          HE2       LYS  30  -6.587 -10.924   4.678
  218   2HE   LYS  30          HE3       LYS  30  -4.887 -10.866   5.286
  219   1HZ   LYS  30          HZ1       LYS  30  -6.280 -12.224   6.664
  220   2HZ   LYS  30          HZ2       LYS  30  -5.718 -10.874   7.530
  221   3HZ   LYS  30          HZ3       LYS  30  -7.324 -10.923   6.983
  222    H    CYS  31           HN       CYS  31  -7.456  -8.765   0.658
  223    HA   CYS  31           HA       CYS  31  -9.641  -7.170  -0.345
  224   1HB   CYS  31          HB3       CYS  31  -7.192  -7.593  -1.315
  225   2HB   CYS  31          HB2       CYS  31  -7.987  -8.896  -2.206
  226    H    ASN  32           HN       ASN  32 -11.223  -8.030  -1.991
  227    HA   ASN  32           HA       ASN  32 -12.091 -10.813  -1.602
  228   1HB   ASN  32          HB3       ASN  32 -13.182  -8.786  -0.013
  229   2HB   ASN  32          HB2       ASN  32 -14.289  -8.619  -1.359
  230   1HD2  ASN  32          HD2       ASN  32 -13.113 -10.742   1.202
  231   2HD2  ASN  32          HD2       ASN  32 -14.363 -11.936   1.000
  232    H    ARG  33           HN       ARG  33 -14.672 -10.504  -2.897
  233    HA   ARG  33           HA       ARG  33 -13.744  -9.936  -5.613
  234   1HB   ARG  33          HB2       ARG  33 -13.687 -12.401  -4.721
  235   2HB   ARG  33          HB3       ARG  33 -15.428 -12.368  -4.951
  236   1HG   ARG  33          HG3       ARG  33 -14.611 -13.281  -7.027
  237   2HG   ARG  33          HG2       ARG  33 -14.867 -11.570  -7.459
  238   1HD   ARG  33          HD2       ARG  33 -12.236 -13.150  -7.239
  239   2HD   ARG  33          HD3       ARG  33 -12.863 -12.028  -8.504
  240    HE   ARG  33           HE       ARG  33 -12.344 -10.602  -5.939
  241   1HH1  ARG  33          HH1       ARG  33 -10.776 -11.631  -8.904
  242   2HH1  ARG  33          HH1       ARG  33  -9.412 -10.583  -8.553
  243   1HH2  ARG  33          HH2       ARG  33 -10.638  -9.655  -5.438
  244   2HH2  ARG  33          HH2       ARG  33  -9.274  -9.522  -6.540
  245    H    CYS  34           HN       CYS  34 -14.798  -9.072  -7.143
  246    HA   CYS  34           HA       CYS  34 -17.239  -7.693  -6.596
  247   1HB   CYS  34          HB3       CYS  34 -16.490  -6.643  -8.861
  248   2HB   CYS  34          HB2       CYS  34 -15.368  -6.462  -7.490
  249   1HN   NH2  35          HT1       CYS  34 -16.962 -10.832  -7.556
  250   2HN   NH2  35          HT2       CYS  34 -18.253 -10.853  -8.752
  Start of MODEL   15
    1   2H    ALA   1          HN2       ALA   1   0.561  -1.105   0.290
    2    H    ALA   1           HN       ALA   1   0.912  -0.367  -1.211
    3   3H    ALA   1          HN3       ALA   1   1.711   0.127   0.206
    4    HA   ALA   1           HA       ALA   1   0.012   1.746  -0.114
    5   1HB   ALA   1          HB1       ALA   1  -1.836  -0.708  -0.721
    6   2HB   ALA   1          HB2       ALA   1  -2.391   1.002  -0.729
    7   3HB   ALA   1          HB3       ALA   1  -1.188   0.456  -1.926
    8    H    SER   2           HN       SER   2  -1.966   2.261   1.467
    9    HA   SER   2           HA       SER   2  -2.203   0.532   3.777
   10   1HB   SER   2          HB3       SER   2  -1.781   2.543   5.335
   11   2HB   SER   2          HB2       SER   2  -0.317   1.925   4.501
   12    HG   SER   2           HG       SER   2  -0.445   4.200   4.409
   13    H    CYS   3           HN       CYS   3  -4.156   1.442   5.120
   14    HA   CYS   3           HA       CYS   3  -5.976   2.908   3.254
   15   1HB   CYS   3          HB2       CYS   3  -7.904   1.676   4.059
   16   2HB   CYS   3          HB3       CYS   3  -6.660   0.638   3.355
   17    H    ARG   4           HN       ARG   4  -7.832   3.846   4.415
   18    HA   ARG   4           HA       ARG   4  -7.191   5.283   6.909
   19   1HB   ARG   4          HB2       ARG   4  -8.480   6.723   4.474
   20   2HB   ARG   4          HB3       ARG   4  -7.984   7.454   5.988
   21   1HG   ARG   4          HG3       ARG   4  -6.167   6.289   3.754
   22   2HG   ARG   4          HG2       ARG   4  -6.649   8.005   3.978
   23   1HD   ARG   4          HD3       ARG   4  -5.263   8.269   5.947
   24   2HD   ARG   4          HD2       ARG   4  -4.862   6.514   6.000
   25    HE   ARG   4           HE       ARG   4  -3.876   8.541   3.926
   26   1HH1  ARG   4          HH1       ARG   4  -3.851   5.100   4.950
   27   2HH1  ARG   4          HH1       ARG   4  -2.435   4.784   3.981
   28   1HH2  ARG   4          HH2       ARG   4  -2.085   7.841   2.645
   29   2HH2  ARG   4          HH2       ARG   4  -1.680   6.144   2.668
   30    H    THR   5           HN       THR   5  -9.670   4.729   4.301
   31    HA   THR   5           HA       THR   5 -11.577   3.640   6.177
   32    HB   THR   5           HB       THR   5 -13.374   4.504   4.699
   33    HG1  THR   5           HG1      THR   5 -12.632   6.274   3.283
   34   1HG2  THR   5          HG2       THR   5 -12.590   5.910   6.666
   35   2HG2  THR   5          HG2       THR   5 -11.407   6.761   5.614
   36   3HG2  THR   5          HG2       THR   5 -13.170   6.934   5.312
   37    HA   PRO   6           HA       PRO   6 -10.765   0.120   3.592
   38   1HB   PRO   6          HB2       PRO   6 -13.771  -0.446   3.286
   39   2HB   PRO   6          HB3       PRO   6 -12.470  -1.480   3.898
   40   1HG   PRO   6          HG2       PRO   6 -14.223  -0.256   5.616
   41   2HG   PRO   6          HG3       PRO   6 -12.455  -0.272   6.006
   42   1HD   PRO   6          HD2       PRO   6 -13.997   2.004   4.668
   43   2HD   PRO   6          HD3       PRO   6 -12.882   1.993   6.126
   44    H    LYS   7           HN       LYS   7 -12.604   2.507   1.917
   45    HA   LYS   7           HA       LYS   7 -12.509   1.199  -0.686
   46   1HB   LYS   7          HB3       LYS   7 -14.386   2.697   0.099
   47   2HB   LYS   7          HB2       LYS   7 -13.305   4.106  -0.128
   48   1HG   LYS   7          HG3       LYS   7 -13.117   3.500  -2.568
   49   2HG   LYS   7          HG2       LYS   7 -14.069   2.000  -2.265
   50   1HD   LYS   7          HD3       LYS   7 -16.024   3.374  -1.532
   51   2HD   LYS   7          HD2       LYS   7 -15.092   4.881  -1.842
   52   1HE   LYS   7          HE3       LYS   7 -14.959   4.299  -4.287
   53   2HE   LYS   7          HE2       LYS   7 -15.898   2.781  -3.971
   54   1HZ   LYS   7          HZ1       LYS   7 -17.288   4.561  -4.741
   55   2HZ   LYS   7          HZ2       LYS   7 -17.702   4.134  -3.151
   56   3HZ   LYS   7          HZ3       LYS   7 -16.824   5.558  -3.447
   57    H    ASP   8           HN       ASP   8 -10.189   2.955   1.244
   58    HA   ASP   8           HA       ASP   8  -8.731   4.074  -0.992
   59   1HB   ASP   8          HB3       ASP   8  -7.904   3.772   1.953
   60   2HB   ASP   8          HB2       ASP   8  -6.995   4.693   0.702
   61    H    CYS   9           HN       CYS   9  -9.004   0.798   0.047
   62    HA   CYS   9           HA       CYS   9  -6.307   0.226  -1.116
   63   1HB   CYS   9          HB2       CYS   9  -7.248  -0.911   1.336
   64   2HB   CYS   9          HB3       CYS   9  -7.709  -2.114   0.168
   65    H    ALA  10           HN       ALA  10  -9.327   0.719  -2.184
   66    HA   ALA  10           HA       ALA  10  -9.934  -1.544  -3.715
   67   1HB   ALA  10          HB1       ALA  10 -11.639  -0.025  -2.707
   68   2HB   ALA  10          HB2       ALA  10 -11.083   1.319  -3.754
   69   3HB   ALA  10          HB3       ALA  10 -11.858  -0.101  -4.489
   70    H    ASP  11           HN       ASP  11  -8.937   1.837  -4.783
   71    HA   ASP  11           HA       ASP  11  -8.462   1.069  -7.470
   72   1HB   ASP  11          HB2       ASP  11  -7.784   3.525  -5.808
   73   2HB   ASP  11          HB3       ASP  11  -6.932   3.336  -7.374
   74    HA   PRO  12           HA       PRO  12  -3.865   0.111  -6.566
   75   1HB   PRO  12          HB3       PRO  12  -3.070  -0.517  -3.932
   76   2HB   PRO  12          HB2       PRO  12  -3.080   1.175  -4.578
   77   1HG   PRO  12          HG3       PRO  12  -5.271  -0.307  -3.086
   78   2HG   PRO  12          HG2       PRO  12  -4.514   1.232  -2.561
   79   1HD   PRO  12          HD3       PRO  12  -6.813   1.338  -3.924
   80   2HD   PRO  12          HD2       PRO  12  -5.477   2.445  -4.468
   81    H    CYS  13           HN       CYS  13  -6.684  -1.584  -4.991
   82    HA   CYS  13           HA       CYS  13  -5.407  -4.139  -5.294
   83   1HB   CYS  13          HB3       CYS  13  -7.443  -3.599  -3.649
   84   2HB   CYS  13          HB2       CYS  13  -8.412  -4.103  -5.005
   85    H    ARG  14           HN       ARG  14  -7.176  -2.092  -7.425
   86    HA   ARG  14           HA       ARG  14  -8.044  -4.004  -9.357
   87   1HB   ARG  14          HB3       ARG  14  -8.970  -2.321 -10.500
   88   2HB   ARG  14          HB2       ARG  14  -8.679  -1.447  -8.980
   89   1HG   ARG  14          HG3       ARG  14  -6.350  -0.716 -10.394
   90   2HG   ARG  14          HG2       ARG  14  -7.355  -1.268 -11.736
   91   1HD   ARG  14          HD2       ARG  14  -7.701   1.212  -9.958
   92   2HD   ARG  14          HD3       ARG  14  -7.816   1.041 -11.763
   93    HE   ARG  14           HE       ARG  14  -9.932  -0.501 -10.486
   94   1HH1  ARG  14          HH2       ARG  14  -9.140   2.824 -11.129
   95   2HH1  ARG  14          HH2       ARG  14 -10.809   3.301 -11.247
   96   1HH2  ARG  14          HH1       ARG  14 -12.015   0.138 -10.511
   97   2HH2  ARG  14          HH1       ARG  14 -12.413   1.782 -10.879
   98    H    LYS  15           HN       LYS  15  -5.127  -3.222  -8.541
   99    HA   LYS  15           HA       LYS  15  -3.730  -3.853 -11.010
  100   1HB   LYS  15          HB2       LYS  15  -3.316  -1.865  -9.239
  101   2HB   LYS  15          HB3       LYS  15  -2.284  -3.053  -8.417
  102   1HG   LYS  15          HG3       LYS  15  -0.942  -1.727  -9.868
  103   2HG   LYS  15          HG2       LYS  15  -1.076  -3.302 -10.739
  104   1HD   LYS  15          HD3       LYS  15  -2.853  -2.225 -12.212
  105   2HD   LYS  15          HD2       LYS  15  -2.799  -0.777 -11.137
  106   1HE   LYS  15          HE3       LYS  15  -0.460  -0.300 -11.839
  107   2HE   LYS  15          HE2       LYS  15  -0.488  -1.743 -12.940
  108   1HZ   LYS  15          HZ1       LYS  15  -0.988   0.294 -14.094
  109   2HZ   LYS  15          HZ2       LYS  15  -2.339  -0.738 -14.103
  110   3HZ   LYS  15          HZ3       LYS  15  -2.307   0.611 -13.071
  111    H    GLU  16           HN       GLU  16  -3.933  -5.027  -7.543
  112    HA   GLU  16           HA       GLU  16  -2.191  -7.298  -8.157
  113   1HB   GLU  16          HB2       GLU  16  -2.081  -7.831  -5.717
  114   2HB   GLU  16          HB3       GLU  16  -1.554  -6.175  -6.066
  115   1HG   GLU  16          HG3       GLU  16  -3.907  -5.414  -5.458
  116   2HG   GLU  16          HG2       GLU  16  -4.285  -7.064  -4.847
  117    H    THR  17           HN       THR  17  -5.616  -7.026  -6.882
  118    HA   THR  17           HA       THR  17  -5.871  -9.875  -7.654
  119    HB   THR  17           HB       THR  17  -7.704 -10.295  -6.448
  120    HG1  THR  17           HG1      THR  17  -8.809  -8.889  -5.241
  121   1HG2  THR  17          HG2       THR  17  -5.457 -10.144  -5.239
  122   2HG2  THR  17          HG2       THR  17  -5.953  -8.521  -4.621
  123   3HG2  THR  17          HG2       THR  17  -6.880  -9.962  -4.160
  124    H    GLY  18           HN       GLY  18  -7.008  -6.604  -8.316
  125   1HA   GLY  18          HA1       GLY  18  -7.464  -5.952 -10.481
  126   2HA   GLY  18          HA2       GLY  18  -8.100  -7.542 -10.912
  127    H    CYS  19           HN       CYS  19  -9.361  -6.779  -7.893
  128    HA   CYS  19           HA       CYS  19 -11.683  -5.389  -9.162
  129   1HB   CYS  19          HB2       CYS  19 -11.776  -7.742  -7.276
  130   2HB   CYS  19          HB3       CYS  19 -13.171  -6.637  -7.517
  131    HA   PRO  20           HA       PRO  20 -10.704  -2.399  -6.109
  132   1HB   PRO  20          HB2       PRO  20 -12.532  -0.488  -6.855
  133   2HB   PRO  20          HB3       PRO  20 -11.139  -0.942  -7.893
  134   1HG   PRO  20          HG3       PRO  20 -14.049  -1.886  -7.983
  135   2HG   PRO  20          HG2       PRO  20 -13.072  -1.259  -9.367
  136   1HD   PRO  20          HD2       PRO  20 -13.385  -3.966  -8.784
  137   2HD   PRO  20          HD3       PRO  20 -11.835  -3.289  -9.488
  138    H    TYR  21           HN       TYR  21 -11.198  -3.717  -4.204
  139    HA   TYR  21           HA       TYR  21 -13.591  -2.940  -2.728
  140   1HB   TYR  21          HB3       TYR  21 -12.824  -5.772  -3.762
  141   2HB   TYR  21          HB2       TYR  21 -13.575  -5.679  -2.176
  142    HD1  TYR  21           HD1      TYR  21 -14.234  -5.273  -5.769
  143    HD2  TYR  21           HD2      TYR  21 -15.890  -4.937  -1.816
  144    HE1  TYR  21           HE1      TYR  21 -16.537  -5.319  -6.715
  145    HE2  TYR  21           HE2      TYR  21 -18.155  -4.977  -2.738
  146    HH   TYR  21           HH       TYR  21 -19.450  -5.204  -4.641
  147    H    GLY  22           HN       GLY  22 -13.212  -3.601  -0.293
  148   1HA   GLY  22          HA1       GLY  22 -10.822  -4.838   0.538
  149   2HA   GLY  22          HA2       GLY  22 -10.521  -3.056   0.505
  150    H    LYS  23           HN       LYS  23 -10.247  -4.440   2.826
  151    HA   LYS  23           HA       LYS  23 -12.372  -3.351   4.546
  152   1HB   LYS  23          HB2       LYS  23 -12.662  -5.772   4.566
  153   2HB   LYS  23          HB3       LYS  23 -10.921  -6.023   4.939
  154   1HG   LYS  23          HG2       LYS  23 -12.187  -6.432   6.895
  155   2HG   LYS  23          HG3       LYS  23 -11.332  -4.901   7.234
  156   1HD   LYS  23          HD3       LYS  23 -13.464  -3.630   6.841
  157   2HD   LYS  23          HD2       LYS  23 -14.275  -5.159   6.351
  158   1HE   LYS  23          HE2       LYS  23 -13.906  -6.088   8.678
  159   2HE   LYS  23          HE3       LYS  23 -13.190  -4.501   9.173
  160   1HZ   LYS  23          HZ1       LYS  23 -15.500  -4.681   9.762
  161   2HZ   LYS  23          HZ2       LYS  23 -15.285  -3.453   8.609
  162   3HZ   LYS  23          HZ3       LYS  23 -15.951  -4.946   8.145
  163    H    CYS  24           HN       CYS  24 -11.595  -2.079   6.126
  164    HA   CYS  24           HA       CYS  24  -8.634  -1.805   6.367
  165   1HB   CYS  24          HB3       CYS  24 -10.177   0.171   5.674
  166   2HB   CYS  24          HB2       CYS  24 -10.614   0.321   7.372
  167    H    MET  25           HN       MET  25  -7.590  -2.193   8.186
  168    HA   MET  25           HA       MET  25  -9.070  -2.536  10.742
  169   1HB   MET  25          HB3       MET  25  -7.038  -4.520   9.482
  170   2HB   MET  25          HB2       MET  25  -7.643  -4.640  11.171
  171   1HG   MET  25          HG3       MET  25  -9.942  -5.120  10.351
  172   2HG   MET  25          HG2       MET  25  -9.396  -4.964   8.657
  173   1HE   MET  25          HE1       MET  25  -6.452  -6.529   8.649
  174   2HE   MET  25          HE2       MET  25  -7.221  -7.961   7.893
  175   3HE   MET  25          HE3       MET  25  -7.789  -6.313   7.464
  176    H    ASN  26           HN       ASN  26  -8.230  -0.685  11.639
  177    HA   ASN  26           HA       ASN  26  -6.841   0.776  12.478
  178   1HB   ASN  26          HB2       ASN  26  -6.321  -1.576  13.589
  179   2HB   ASN  26          HB3       ASN  26  -4.700  -1.422  12.861
  180   1HD2  ASN  26          HD2       ASN  26  -3.904   1.108  13.414
  181   2HD2  ASN  26          HD2       ASN  26  -4.004   1.396  15.158
  182    H    ARG  27           HN       ARG  27  -6.584   0.725   9.610
  183    HA   ARG  27           HA       ARG  27  -5.580   1.966   8.060
  184   1HB   ARG  27          HB3       ARG  27  -3.072   2.207   9.777
  185   2HB   ARG  27          HB2       ARG  27  -3.284   2.986   8.173
  186   1HG   ARG  27          HG2       ARG  27  -4.938   4.516   8.958
  187   2HG   ARG  27          HG3       ARG  27  -5.266   3.545  10.430
  188   1HD   ARG  27          HD3       ARG  27  -2.833   4.054  11.209
  189   2HD   ARG  27          HD2       ARG  27  -2.776   5.252   9.863
  190    HE   ARG  27           HE       ARG  27  -4.374   6.614  10.998
  191   1HH1  ARG  27          HH1       ARG  27  -4.164   3.562  12.699
  192   2HH1  ARG  27          HH1       ARG  27  -4.971   4.179  14.126
  193   1HH2  ARG  27          HH2       ARG  27  -5.514   7.291  12.782
  194   2HH2  ARG  27          HH2       ARG  27  -5.790   6.207  14.109
  195    H    LYS  28           HN       LYS  28  -4.693  -1.139   9.069
  196    HA   LYS  28           HA       LYS  28  -2.736  -1.621   6.923
  197   1HB   LYS  28          HB3       LYS  28  -2.529  -2.605   9.239
  198   2HB   LYS  28          HB2       LYS  28  -3.944  -3.646   8.906
  199   1HG   LYS  28          HG3       LYS  28  -2.721  -4.689   6.973
  200   2HG   LYS  28          HG2       LYS  28  -1.295  -3.644   7.296
  201   1HD   LYS  28          HD3       LYS  28  -2.523  -5.634   9.304
  202   2HD   LYS  28          HD2       LYS  28  -1.187  -6.030   8.161
  203   1HE   LYS  28          HE2       LYS  28   0.243  -4.226   9.218
  204   2HE   LYS  28          HE3       LYS  28  -1.059  -3.942  10.444
  205   1HZ   LYS  28          HZ1       LYS  28   0.359  -6.510   9.948
  206   2HZ   LYS  28          HZ2       LYS  28   0.623  -5.439  11.240
  207   3HZ   LYS  28          HZ3       LYS  28  -0.864  -6.248  11.098
  208    H    CYS  29           HN       CYS  29  -3.131  -2.631   4.910
  209    HA   CYS  29           HA       CYS  29  -5.862  -2.928   4.103
  210   1HB   CYS  29          HB2       CYS  29  -3.191  -3.340   2.621
  211   2HB   CYS  29          HB3       CYS  29  -4.768  -3.693   1.848
  212    H    LYS  30           HN       LYS  30  -7.041  -4.529   3.538
  213    HA   LYS  30           HA       LYS  30  -6.024  -7.168   2.951
  214   1HB   LYS  30          HB3       LYS  30  -6.734  -7.201   5.348
  215   2HB   LYS  30          HB2       LYS  30  -8.378  -6.661   4.916
  216   1HG   LYS  30          HG3       LYS  30  -7.078  -9.218   3.738
  217   2HG   LYS  30          HG2       LYS  30  -7.783  -9.200   5.387
  218   1HD   LYS  30          HD2       LYS  30  -9.998  -8.584   4.567
  219   2HD   LYS  30          HD3       LYS  30  -9.416  -8.536   2.871
  220   1HE   LYS  30          HE3       LYS  30  -9.434 -11.056   4.655
  221   2HE   LYS  30          HE2       LYS  30 -10.621 -10.654   3.345
  222   1HZ   LYS  30          HZ1       LYS  30  -8.908 -12.129   2.588
  223   2HZ   LYS  30          HZ2       LYS  30  -8.814 -10.641   1.775
  224   3HZ   LYS  30          HZ3       LYS  30  -7.694 -11.014   2.997
  225    H    CYS  31           HN       CYS  31  -6.818  -7.532   0.829
  226    HA   CYS  31           HA       CYS  31  -8.856  -5.785  -0.227
  227   1HB   CYS  31          HB2       CYS  31  -6.791  -6.015  -1.432
  228   2HB   CYS  31          HB3       CYS  31  -6.985  -7.752  -1.682
  229    H    ASN  32           HN       ASN  32 -10.791  -6.422  -1.119
  230    HA   ASN  32           HA       ASN  32 -11.759  -9.191  -0.591
  231   1HB   ASN  32          HB2       ASN  32 -12.813  -7.523   0.970
  232   2HB   ASN  32          HB3       ASN  32 -13.489  -6.617  -0.418
  233   1HD2  ASN  32          HD2       ASN  32 -15.170  -7.467   1.570
  234   2HD2  ASN  32          HD2       ASN  32 -16.115  -8.818   0.985
  235    H    ARG  33           HN       ARG  33 -13.986  -9.182  -2.314
  236    HA   ARG  33           HA       ARG  33 -12.652  -8.630  -4.941
  237   1HB   ARG  33          HB2       ARG  33 -12.432 -11.056  -3.634
  238   2HB   ARG  33          HB3       ARG  33 -13.943 -11.373  -4.448
  239   1HG   ARG  33          HG3       ARG  33 -11.891 -12.198  -5.576
  240   2HG   ARG  33          HG2       ARG  33 -12.681 -11.014  -6.669
  241   1HD   ARG  33          HD2       ARG  33 -10.071 -10.904  -6.513
  242   2HD   ARG  33          HD3       ARG  33 -10.957  -9.374  -6.255
  243    HE   ARG  33           HE       ARG  33 -10.560  -9.426  -3.882
  244   1HH1  ARG  33          HH1       ARG  33  -9.124 -12.286  -5.387
  245   2HH1  ARG  33          HH1       ARG  33  -8.311 -12.786  -3.929
  246   1HH2  ARG  33          HH2       ARG  33  -9.519 -10.244  -1.998
  247   2HH2  ARG  33          HH2       ARG  33  -8.514 -11.654  -2.115
  248    H    CYS  34           HN       CYS  34 -13.977  -9.093  -6.810
  249    HA   CYS  34           HA       CYS  34 -16.527  -7.814  -6.691
  250   1HB   CYS  34          HB2       CYS  34 -16.386  -8.590  -9.242
  251   2HB   CYS  34          HB3       CYS  34 -15.328  -7.307  -8.612
  252   1HN   NH2  35          HT1       CYS  34 -17.151  -9.758  -4.986
  253   2HN   NH2  35          HT2       CYS  34 -18.139 -10.986  -5.790
  Start of MODEL   16
    1   2H    ALA   1          HN2       ALA   1   0.637  -2.389   1.848
    2    H    ALA   1           HN       ALA   1  -0.892  -3.072   1.578
    3   3H    ALA   1          HN3       ALA   1   0.206  -2.909   0.277
    4    HA   ALA   1           HA       ALA   1   0.069  -0.464   0.599
    5   1HB   ALA   1          HB1       ALA   1  -1.279  -1.681  -1.205
    6   2HB   ALA   1          HB2       ALA   1  -2.628  -1.926  -0.040
    7   3HB   ALA   1          HB3       ALA   1  -2.181  -0.273  -0.574
    8    H    SER   2           HN       SER   2  -0.907   1.371   1.720
    9    HA   SER   2           HA       SER   2  -2.301   0.710   4.194
   10   1HB   SER   2          HB3       SER   2  -1.405   3.110   4.821
   11   2HB   SER   2          HB2       SER   2  -0.290   1.718   4.786
   12    HG   SER   2           HG       SER   2   0.173   3.841   3.561
   13    H    CYS   3           HN       CYS   3  -3.907   2.179   4.921
   14    HA   CYS   3           HA       CYS   3  -5.313   3.894   3.012
   15   1HB   CYS   3          HB2       CYS   3  -7.536   2.507   3.369
   16   2HB   CYS   3          HB3       CYS   3  -6.261   1.806   2.375
   17    H    ARG   4           HN       ARG   4  -7.606   4.424   4.363
   18    HA   ARG   4           HA       ARG   4  -6.875   5.160   7.137
   19   1HB   ARG   4          HB2       ARG   4  -8.547   7.018   5.261
   20   2HB   ARG   4          HB3       ARG   4  -8.058   7.315   6.948
   21   1HG   ARG   4          HG3       ARG   4  -6.292   7.232   4.445
   22   2HG   ARG   4          HG2       ARG   4  -6.870   8.657   5.386
   23   1HD   ARG   4          HD3       ARG   4  -5.490   7.826   7.385
   24   2HD   ARG   4          HD2       ARG   4  -4.865   6.500   6.306
   25    HE   ARG   4           HE       ARG   4  -4.675   9.206   5.125
   26   1HH1  ARG   4          HH2       ARG   4  -3.055   6.769   6.977
   27   2HH1  ARG   4          HH2       ARG   4  -1.544   7.631   7.036
   28   1HH2  ARG   4          HH1       ARG   4  -2.659  10.308   5.187
   29   2HH2  ARG   4          HH1       ARG   4  -1.308   9.513   5.955
   30    H    THR   5           HN       THR   5  -9.567   5.026   4.707
   31    HA   THR   5           HA       THR   5 -11.207   3.425   6.493
   32    HB   THR   5           HB       THR   5 -13.153   4.445   5.232
   33    HG1  THR   5           HG1      THR   5 -12.552   6.548   4.291
   34   1HG2  THR   5          HG2       THR   5 -13.097   6.639   6.455
   35   2HG2  THR   5          HG2       THR   5 -12.434   5.336   7.499
   36   3HG2  THR   5          HG2       THR   5 -11.323   6.496   6.689
   37    HA   PRO   6           HA       PRO   6 -10.618   0.510   3.142
   38   1HB   PRO   6          HB2       PRO   6 -13.513  -0.287   3.007
   39   2HB   PRO   6          HB3       PRO   6 -12.065  -1.197   3.466
   40   1HG   PRO   6          HG3       PRO   6 -13.960  -0.307   5.309
   41   2HG   PRO   6          HG2       PRO   6 -12.206  -0.350   5.732
   42   1HD   PRO   6          HD3       PRO   6 -13.787   2.054   4.739
   43   2HD   PRO   6          HD2       PRO   6 -12.675   1.890   6.179
   44    H    LYS   7           HN       LYS   7 -12.629   3.188   2.411
   45    HA   LYS   7           HA       LYS   7 -13.196   2.817  -0.358
   46   1HB   LYS   7          HB3       LYS   7 -14.515   4.300   1.258
   47   2HB   LYS   7          HB2       LYS   7 -13.126   5.438   1.284
   48   1HG   LYS   7          HG3       LYS   7 -14.814   6.304  -0.133
   49   2HG   LYS   7          HG2       LYS   7 -13.511   5.771  -1.240
   50   1HD   LYS   7          HD3       LYS   7 -14.837   3.666  -1.722
   51   2HD   LYS   7          HD2       LYS   7 -16.112   4.231  -0.586
   52   1HE   LYS   7          HE3       LYS   7 -16.513   6.248  -2.053
   53   2HE   LYS   7          HE2       LYS   7 -15.268   5.634  -3.218
   54   1HZ   LYS   7          HZ1       LYS   7 -17.756   4.225  -2.394
   55   2HZ   LYS   7          HZ2       LYS   7 -17.489   5.038  -3.862
   56   3HZ   LYS   7          HZ3       LYS   7 -16.593   3.645  -3.487
   57    H    ASP   8           HN       ASP   8 -10.201   3.560   1.296
   58    HA   ASP   8           HA       ASP   8  -9.049   5.009  -0.975
   59   1HB   ASP   8          HB3       ASP   8  -7.879   4.375   1.807
   60   2HB   ASP   8          HB2       ASP   8  -7.158   5.466   0.563
   61    H    CYS   9           HN       CYS   9  -9.421   1.669  -0.237
   62    HA   CYS   9           HA       CYS   9  -6.729   1.075  -1.361
   63   1HB   CYS   9          HB3       CYS   9  -7.497   0.253   1.026
   64   2HB   CYS   9          HB2       CYS   9  -8.326  -1.026   0.163
   65    H    ALA  10           HN       ALA  10  -9.579   1.542  -2.564
   66    HA   ALA  10           HA       ALA  10 -10.274  -0.704  -4.044
   67   1HB   ALA  10          HB1       ALA  10 -11.007   2.258  -4.422
   68   2HB   ALA  10          HB2       ALA  10 -11.890   0.866  -5.153
   69   3HB   ALA  10          HB3       ALA  10 -11.836   1.058  -3.373
   70    H    ASP  11           HN       ASP  11  -8.498   2.249  -5.067
   71    HA   ASP  11           HA       ASP  11  -7.857   1.228  -7.692
   72   1HB   ASP  11          HB2       ASP  11  -6.853   3.793  -6.330
   73   2HB   ASP  11          HB3       ASP  11  -6.668   3.346  -8.072
   74    HA   PRO  12           HA       PRO  12  -3.540   0.268  -5.708
   75   1HB   PRO  12          HB3       PRO  12  -4.368  -0.087  -2.767
   76   2HB   PRO  12          HB2       PRO  12  -2.802   0.494  -3.458
   77   1HG   PRO  12          HG2       PRO  12  -4.752   2.051  -2.303
   78   2HG   PRO  12          HG3       PRO  12  -3.739   2.708  -3.677
   79   1HD   PRO  12          HD2       PRO  12  -6.599   1.680  -3.716
   80   2HD   PRO  12          HD3       PRO  12  -5.823   3.016  -4.669
   81    H    CYS  13           HN       CYS  13  -6.631  -1.231  -4.340
   82    HA   CYS  13           HA       CYS  13  -5.426  -3.820  -4.481
   83   1HB   CYS  13          HB3       CYS  13  -7.678  -3.186  -3.059
   84   2HB   CYS  13          HB2       CYS  13  -8.439  -3.831  -4.491
   85    H    ARG  14           HN       ARG  14  -7.344  -1.932  -6.870
   86    HA   ARG  14           HA       ARG  14  -7.964  -3.858  -8.789
   87   1HB   ARG  14          HB3       ARG  14  -8.774  -1.422  -8.676
   88   2HB   ARG  14          HB2       ARG  14  -7.112  -0.908  -9.013
   89   1HG   ARG  14          HG3       ARG  14  -8.338  -0.553 -10.931
   90   2HG   ARG  14          HG2       ARG  14  -7.191  -1.896 -11.280
   91   1HD   ARG  14          HD2       ARG  14  -9.314  -2.391 -12.407
   92   2HD   ARG  14          HD3       ARG  14  -9.264  -3.510 -11.033
   93    HE   ARG  14           HE       ARG  14 -11.134  -2.326 -10.061
   94   1HH1  ARG  14          HH2       ARG  14  -9.896  -0.544 -12.716
   95   2HH1  ARG  14          HH2       ARG  14 -11.375   0.334 -13.003
   96   1HH2  ARG  14          HH1       ARG  14 -13.005  -1.046 -10.320
   97   2HH2  ARG  14          HH1       ARG  14 -13.083   0.061 -11.656
   98    H    LYS  15           HN       LYS  15  -4.768  -2.663  -8.034
   99    HA   LYS  15           HA       LYS  15  -3.626  -3.499 -10.536
  100   1HB   LYS  15          HB2       LYS  15  -3.037  -1.396  -9.282
  101   2HB   LYS  15          HB3       LYS  15  -2.339  -2.368  -7.960
  102   1HG   LYS  15          HG3       LYS  15  -0.595  -3.239  -9.575
  103   2HG   LYS  15          HG2       LYS  15  -1.369  -2.300 -10.910
  104   1HD   LYS  15          HD3       LYS  15  -0.944  -0.193  -9.546
  105   2HD   LYS  15          HD2       LYS  15  -0.140  -1.233  -8.312
  106   1HE   LYS  15          HE3       LYS  15   1.622  -1.878  -9.972
  107   2HE   LYS  15          HE2       LYS  15   0.801  -0.883 -11.244
  108   1HZ   LYS  15          HZ1       LYS  15   1.917   0.125  -8.677
  109   2HZ   LYS  15          HZ2       LYS  15   2.616   0.280 -10.218
  110   3HZ   LYS  15          HZ3       LYS  15   1.146   1.056  -9.870
  111    H    GLU  16           HN       GLU  16  -4.105  -4.833  -7.288
  112    HA   GLU  16           HA       GLU  16  -2.248  -7.075  -7.757
  113   1HB   GLU  16          HB3       GLU  16  -2.217  -7.635  -5.364
  114   2HB   GLU  16          HB2       GLU  16  -1.722  -5.940  -5.632
  115   1HG   GLU  16          HG2       GLU  16  -4.092  -5.268  -5.046
  116   2HG   GLU  16          HG3       GLU  16  -4.445  -6.956  -4.539
  117    H    THR  17           HN       THR  17  -5.810  -6.675  -6.820
  118    HA   THR  17           HA       THR  17  -6.104  -9.559  -7.408
  119    HB   THR  17           HB       THR  17  -8.391  -9.361  -6.562
  120    HG1  THR  17           HG1      THR  17  -8.468  -7.146  -5.290
  121   1HG2  THR  17          HG2       THR  17  -6.570  -9.909  -5.007
  122   2HG2  THR  17          HG2       THR  17  -6.223  -8.171  -4.728
  123   3HG2  THR  17          HG2       THR  17  -7.781  -8.870  -4.200
  124    H    GLY  18           HN       GLY  18  -7.338  -6.478  -8.241
  125   1HA   GLY  18          HA1       GLY  18  -7.856  -5.584 -10.348
  126   2HA   GLY  18          HA2       GLY  18  -8.358  -7.178 -10.928
  127    H    CYS  19           HN       CYS  19  -9.430  -6.817  -7.732
  128    HA   CYS  19           HA       CYS  19 -12.067  -5.723  -8.635
  129   1HB   CYS  19          HB2       CYS  19 -11.380  -7.795  -6.511
  130   2HB   CYS  19          HB3       CYS  19 -13.001  -7.059  -6.683
  131    HA   PRO  20           HA       PRO  20 -10.893  -2.506  -5.745
  132   1HB   PRO  20          HB2       PRO  20 -13.104  -0.868  -6.201
  133   2HB   PRO  20          HB3       PRO  20 -11.790  -1.082  -7.409
  134   1HG   PRO  20          HG2       PRO  20 -14.508  -2.511  -7.083
  135   2HG   PRO  20          HG3       PRO  20 -13.904  -1.669  -8.569
  136   1HD   PRO  20          HD3       PRO  20 -13.641  -4.387  -8.223
  137   2HD   PRO  20          HD2       PRO  20 -12.299  -3.435  -8.974
  138    H    TYR  21           HN       TYR  21 -11.829  -4.820  -4.524
  139    HA   TYR  21           HA       TYR  21 -13.959  -4.103  -2.557
  140   1HB   TYR  21          HB3       TYR  21 -13.181  -6.807  -3.914
  141   2HB   TYR  21          HB2       TYR  21 -14.102  -6.766  -2.425
  142    HD1  TYR  21           HD1      TYR  21 -16.411  -6.560  -2.414
  143    HD2  TYR  21           HD2      TYR  21 -14.190  -5.281  -5.845
  144    HE1  TYR  21           HE1      TYR  21 -18.482  -6.155  -3.553
  145    HE2  TYR  21           HE2      TYR  21 -16.316  -4.820  -7.057
  146    HH   TYR  21           HH       TYR  21 -19.455  -5.144  -5.420
  147    H    GLY  22           HN       GLY  22 -12.932  -3.465  -0.643
  148   1HA   GLY  22          HA1       GLY  22 -11.205  -5.470   0.590
  149   2HA   GLY  22          HA2       GLY  22 -10.399  -3.874   0.165
  150    H    LYS  23           HN       LYS  23 -10.299  -4.826   2.678
  151    HA   LYS  23           HA       LYS  23 -12.088  -3.087   4.249
  152   1HB   LYS  23          HB2       LYS  23 -12.565  -5.539   4.378
  153   2HB   LYS  23          HB3       LYS  23 -10.907  -5.851   5.002
  154   1HG   LYS  23          HG2       LYS  23 -11.495  -4.646   7.096
  155   2HG   LYS  23          HG3       LYS  23 -13.084  -4.161   6.404
  156   1HD   LYS  23          HD2       LYS  23 -13.794  -6.509   6.184
  157   2HD   LYS  23          HD3       LYS  23 -12.168  -7.089   6.666
  158   1HE   LYS  23          HE3       LYS  23 -13.717  -7.409   8.513
  159   2HE   LYS  23          HE2       LYS  23 -12.536  -6.122   8.981
  160   1HZ   LYS  23          HZ1       LYS  23 -14.195  -4.481   8.389
  161   2HZ   LYS  23          HZ2       LYS  23 -15.297  -5.699   7.958
  162   3HZ   LYS  23          HZ3       LYS  23 -14.779  -5.555   9.568
  163    H    CYS  24           HN       CYS  24 -11.153  -1.927   5.743
  164    HA   CYS  24           HA       CYS  24  -8.170  -1.908   5.939
  165   1HB   CYS  24          HB2       CYS  24  -9.165  -0.107   4.542
  166   2HB   CYS  24          HB3       CYS  24 -10.087   0.463   5.939
  167    H    MET  25           HN       MET  25  -7.465  -2.374   7.897
  168    HA   MET  25           HA       MET  25  -8.917  -1.454  10.294
  169   1HB   MET  25          HB2       MET  25  -7.824  -4.347  10.009
  170   2HB   MET  25          HB3       MET  25  -8.548  -3.601  11.467
  171   1HG   MET  25          HG2       MET  25 -10.760  -3.415  10.037
  172   2HG   MET  25          HG3       MET  25  -9.933  -4.465   8.858
  173   1HE   MET  25          HE1       MET  25 -10.223  -4.180  12.858
  174   2HE   MET  25          HE2       MET  25 -11.834  -3.993  12.082
  175   3HE   MET  25          HE3       MET  25 -11.490  -5.420  13.115
  176    H    ASN  26           HN       ASN  26  -7.553  -0.411  11.562
  177    HA   ASN  26           HA       ASN  26  -5.755   0.631  12.264
  178   1HB   ASN  26          HB3       ASN  26  -5.252  -1.984  13.005
  179   2HB   ASN  26          HB2       ASN  26  -3.810  -1.736  12.000
  180   1HD2  ASN  26          HD2       ASN  26  -2.871   0.732  12.627
  181   2HD2  ASN  26          HD2       ASN  26  -2.784   1.016  14.355
  182    H    ARG  27           HN       ARG  27  -6.114   0.925   9.412
  183    HA   ARG  27           HA       ARG  27  -5.215   2.188   7.797
  184   1HB   ARG  27          HB2       ARG  27  -2.455   1.979   8.888
  185   2HB   ARG  27          HB3       ARG  27  -3.006   3.105   7.609
  186   1HG   ARG  27          HG2       ARG  27  -4.429   4.331   9.232
  187   2HG   ARG  27          HG3       ARG  27  -3.928   3.219  10.540
  188   1HD   ARG  27          HD3       ARG  27  -2.111   5.262   9.136
  189   2HD   ARG  27          HD2       ARG  27  -2.736   5.194  10.856
  190    HE   ARG  27           HE       ARG  27  -1.274   2.760  10.234
  191   1HH1  ARG  27          HH1       ARG  27  -0.741   6.094  10.955
  192   2HH1  ARG  27          HH1       ARG  27   0.653   5.769  11.961
  193   1HH2  ARG  27          HH2       ARG  27   0.626   2.382  11.426
  194   2HH2  ARG  27          HH2       ARG  27   1.539   3.739  12.004
  195    H    LYS  28           HN       LYS  28  -4.770  -1.059   8.240
  196    HA   LYS  28           HA       LYS  28  -3.072  -1.462   5.844
  197   1HB   LYS  28          HB2       LYS  28  -3.709  -3.372   8.211
  198   2HB   LYS  28          HB3       LYS  28  -2.837  -3.870   6.754
  199   1HG   LYS  28          HG3       LYS  28  -1.867  -1.759   8.746
  200   2HG   LYS  28          HG2       LYS  28  -1.318  -3.453   8.578
  201   1HD   LYS  28          HD3       LYS  28  -0.925  -1.136   6.567
  202   2HD   LYS  28          HD2       LYS  28   0.310  -1.988   7.546
  203   1HE   LYS  28          HE2       LYS  28  -0.099  -4.100   6.204
  204   2HE   LYS  28          HE3       LYS  28  -1.316  -3.211   5.197
  205   1HZ   LYS  28          HZ1       LYS  28   0.809  -3.292   4.145
  206   2HZ   LYS  28          HZ2       LYS  28   0.397  -1.690   4.524
  207   3HZ   LYS  28          HZ3       LYS  28   1.554  -2.511   5.456
  208    H    CYS  29           HN       CYS  29  -3.678  -2.626   4.056
  209    HA   CYS  29           HA       CYS  29  -6.513  -3.135   3.760
  210   1HB   CYS  29          HB2       CYS  29  -4.341  -3.509   1.633
  211   2HB   CYS  29          HB3       CYS  29  -6.121  -3.466   1.407
  212    H    LYS  30           HN       LYS  30  -7.532  -4.922   3.798
  213    HA   LYS  30           HA       LYS  30  -6.312  -7.552   3.241
  214   1HB   LYS  30          HB2       LYS  30  -8.853  -6.872   4.899
  215   2HB   LYS  30          HB3       LYS  30  -8.174  -8.519   4.593
  216   1HG   LYS  30          HG2       LYS  30  -6.113  -7.788   5.893
  217   2HG   LYS  30          HG3       LYS  30  -6.966  -6.279   6.345
  218   1HD   LYS  30          HD2       LYS  30  -7.908  -9.172   6.909
  219   2HD   LYS  30          HD3       LYS  30  -7.111  -8.091   8.101
  220   1HE   LYS  30          HE2       LYS  30  -9.072  -6.519   7.994
  221   2HE   LYS  30          HE3       LYS  30  -9.879  -7.591   6.779
  222   1HZ   LYS  30          HZ1       LYS  30  -9.116  -8.364   9.540
  223   2HZ   LYS  30          HZ2       LYS  30 -10.676  -7.989   8.980
  224   3HZ   LYS  30          HZ3       LYS  30  -9.866  -9.362   8.387
  225    H    CYS  31           HN       CYS  31  -7.075  -8.156   1.058
  226    HA   CYS  31           HA       CYS  31  -9.258  -6.546  -0.008
  227   1HB   CYS  31          HB2       CYS  31  -7.061  -6.532  -0.965
  228   2HB   CYS  31          HB3       CYS  31  -7.222  -8.163  -1.622
  229    H    ASN  32           HN       ASN  32 -11.042  -7.326  -1.214
  230    HA   ASN  32           HA       ASN  32 -11.874 -10.133  -0.724
  231   1HB   ASN  32          HB3       ASN  32 -13.870  -7.715  -0.773
  232   2HB   ASN  32          HB2       ASN  32 -14.180  -9.414  -0.275
  233   1HD2  ASN  32          HD2       ASN  32 -12.447 -10.031   1.687
  234   2HD2  ASN  32          HD2       ASN  32 -12.477  -8.773   2.903
  235    H    ARG  33           HN       ARG  33 -14.109 -10.232  -2.634
  236    HA   ARG  33           HA       ARG  33 -12.690  -9.436  -5.084
  237   1HB   ARG  33          HB2       ARG  33 -12.205 -11.856  -3.891
  238   2HB   ARG  33          HB3       ARG  33 -13.637 -12.348  -4.760
  239   1HG   ARG  33          HG2       ARG  33 -11.503 -12.861  -5.871
  240   2HG   ARG  33          HG3       ARG  33 -12.407 -11.738  -6.939
  241   1HD   ARG  33          HD3       ARG  33  -9.826 -11.350  -6.703
  242   2HD   ARG  33          HD2       ARG  33 -10.873  -9.925  -6.454
  243    HE   ARG  33           HE       ARG  33 -10.468  -9.908  -4.100
  244   1HH1  ARG  33          HH1       ARG  33  -8.913 -12.719  -5.488
  245   2HH1  ARG  33          HH1       ARG  33  -7.892 -13.010  -4.108
  246   1HH2  ARG  33          HH2       ARG  33  -9.353 -10.341  -2.349
  247   2HH2  ARG  33          HH2       ARG  33  -8.145 -11.595  -2.286
  248    H    CYS  34           HN       CYS  34 -13.720  -9.505  -6.996
  249    HA   CYS  34           HA       CYS  34 -16.652  -9.618  -7.039
  250   1HB   CYS  34          HB2       CYS  34 -16.578  -8.095  -8.909
  251   2HB   CYS  34          HB3       CYS  34 -15.771  -7.384  -7.502
  252   1HN   NH2  35          HT1       CYS  34 -14.744 -11.987  -7.261
  253   2HN   NH2  35          HT2       CYS  34 -15.063 -12.603  -8.872
  Start of MODEL   17
    1   2H    ALA   1          HN2       ALA   1  -0.836  -4.515   1.276
    2    H    ALA   1           HN       ALA   1  -0.933  -3.985   2.906
    3   3H    ALA   1          HN3       ALA   1  -2.339  -4.121   1.999
    4    HA   ALA   1           HA       ALA   1  -0.120  -2.205   1.484
    5   1HB   ALA   1          HB1       ALA   1  -2.921  -2.418   0.115
    6   2HB   ALA   1          HB2       ALA   1  -1.665  -1.195  -0.274
    7   3HB   ALA   1          HB3       ALA   1  -1.366  -2.912  -0.633
    8    H    SER   2           HN       SER   2  -0.975   0.213   1.833
    9    HA   SER   2           HA       SER   2  -2.413   0.221   4.391
   10   1HB   SER   2          HB2       SER   2  -0.494   2.317   3.230
   11   2HB   SER   2          HB3       SER   2  -1.271   2.343   4.867
   12    HG   SER   2           HG       SER   2   0.669   1.477   5.165
   13    H    CYS   3           HN       CYS   3  -4.041   1.704   4.847
   14    HA   CYS   3           HA       CYS   3  -5.177   3.443   2.762
   15   1HB   CYS   3          HB2       CYS   3  -7.539   2.385   3.178
   16   2HB   CYS   3          HB3       CYS   3  -6.327   1.404   2.358
   17    H    ARG   4           HN       ARG   4  -7.456   4.353   4.084
   18    HA   ARG   4           HA       ARG   4  -6.730   5.195   6.774
   19   1HB   ARG   4          HB3       ARG   4  -7.930   7.082   4.581
   20   2HB   ARG   4          HB2       ARG   4  -7.615   7.398   6.300
   21   1HG   ARG   4          HG3       ARG   4  -5.907   8.467   5.233
   22   2HG   ARG   4          HG2       ARG   4  -5.144   6.915   5.749
   23   1HD   ARG   4          HD3       ARG   4  -5.326   6.155   3.241
   24   2HD   ARG   4          HD2       ARG   4  -6.008   7.776   2.899
   25    HE   ARG   4           HE       ARG   4  -3.846   8.683   3.049
   26   1HH1  ARG   4          HH2       ARG   4  -3.612   5.511   4.662
   27   2HH1  ARG   4          HH2       ARG   4  -1.880   5.622   4.717
   28   1HH2  ARG   4          HH1       ARG   4  -1.668   8.598   3.030
   29   2HH2  ARG   4          HH1       ARG   4  -0.853   7.310   3.863
   30    H    THR   5           HN       THR   5  -9.291   5.446   4.231
   31    HA   THR   5           HA       THR   5 -11.231   4.065   5.948
   32    HB   THR   5           HB       THR   5 -12.979   5.131   4.522
   33    HG1  THR   5           HG1      THR   5 -12.380   6.894   3.303
   34   1HG2  THR   5          HG2       THR   5 -12.793   7.390   5.590
   35   2HG2  THR   5          HG2       THR   5 -12.301   6.120   6.765
   36   3HG2  THR   5          HG2       THR   5 -11.054   7.123   5.934
   37    HA   PRO   6           HA       PRO   6 -10.598   0.812   3.038
   38   1HB   PRO   6          HB2       PRO   6 -13.575   0.176   2.908
   39   2HB   PRO   6          HB3       PRO   6 -12.199  -0.844   3.395
   40   1HG   PRO   6          HG2       PRO   6 -13.937   0.288   5.236
   41   2HG   PRO   6          HG3       PRO   6 -12.155   0.247   5.567
   42   1HD   PRO   6          HD3       PRO   6 -13.728   2.620   4.474
   43   2HD   PRO   6          HD2       PRO   6 -12.528   2.471   5.855
   44    H    LYS   7           HN       LYS   7 -12.459   3.421   1.683
   45    HA   LYS   7           HA       LYS   7 -12.693   2.406  -0.992
   46   1HB   LYS   7          HB3       LYS   7 -12.801   5.371  -0.195
   47   2HB   LYS   7          HB2       LYS   7 -13.487   4.550  -1.628
   48   1HG   LYS   7          HG3       LYS   7 -15.412   4.769  -0.442
   49   2HG   LYS   7          HG2       LYS   7 -14.893   3.171   0.179
   50   1HD   LYS   7          HD3       LYS   7 -15.672   4.541   2.043
   51   2HD   LYS   7          HD2       LYS   7 -13.896   4.447   2.223
   52   1HE   LYS   7          HE3       LYS   7 -13.747   6.781   1.120
   53   2HE   LYS   7          HE2       LYS   7 -15.555   6.821   1.120
   54   1HZ   LYS   7          HZ1       LYS   7 -13.785   6.518   3.498
   55   2HZ   LYS   7          HZ2       LYS   7 -14.605   7.926   3.016
   56   3HZ   LYS   7          HZ3       LYS   7 -15.484   6.562   3.518
   57    H    ASP   8           HN       ASP   8 -10.040   3.779   0.880
   58    HA   ASP   8           HA       ASP   8  -8.483   4.727  -1.344
   59   1HB   ASP   8          HB3       ASP   8  -7.770   4.203   1.614
   60   2HB   ASP   8          HB2       ASP   8  -6.670   4.977   0.414
   61    H    CYS   9           HN       CYS   9  -9.281   1.517  -0.347
   62    HA   CYS   9           HA       CYS   9  -6.656   0.483  -1.229
   63   1HB   CYS   9          HB2       CYS   9  -8.166  -0.647   0.887
   64   2HB   CYS   9          HB3       CYS   9  -8.789  -1.533  -0.481
   65    H    ALA  10           HN       ALA  10  -9.640   1.468  -2.617
   66    HA   ALA  10           HA       ALA  10 -10.072  -0.455  -4.546
   67   1HB   ALA  10          HB1       ALA  10 -11.739   1.241  -3.845
   68   2HB   ALA  10          HB2       ALA  10 -10.755   2.546  -4.579
   69   3HB   ALA  10          HB3       ALA  10 -11.504   1.278  -5.630
   70    H    ASP  11           HN       ASP  11  -7.789   2.238  -4.551
   71    HA   ASP  11           HA       ASP  11  -7.059   1.998  -7.325
   72   1HB   ASP  11          HB2       ASP  11  -5.675   3.605  -5.101
   73   2HB   ASP  11          HB3       ASP  11  -5.433   3.781  -6.879
   74    HA   PRO  12           HA       PRO  12  -3.242  -0.558  -5.850
   75   1HB   PRO  12          HB3       PRO  12  -3.316  -1.596  -3.145
   76   2HB   PRO  12          HB2       PRO  12  -2.423  -0.126  -3.675
   77   1HG   PRO  12          HG3       PRO  12  -5.184  -0.435  -2.482
   78   2HG   PRO  12          HG2       PRO  12  -3.924   0.756  -1.981
   79   1HD   PRO  12          HD3       PRO  12  -6.009   1.486  -3.579
   80   2HD   PRO  12          HD2       PRO  12  -4.342   2.116  -3.919
   81    H    CYS  13           HN       CYS  13  -6.491  -1.434  -4.435
   82    HA   CYS  13           HA       CYS  13  -6.129  -4.213  -5.080
   83   1HB   CYS  13          HB2       CYS  13  -7.354  -3.502  -3.043
   84   2HB   CYS  13          HB3       CYS  13  -8.717  -3.028  -4.086
   85    H    ARG  14           HN       ARG  14  -7.334  -1.481  -6.973
   86    HA   ARG  14           HA       ARG  14  -8.488  -3.090  -9.095
   87   1HB   ARG  14          HB3       ARG  14  -9.155  -0.684  -8.991
   88   2HB   ARG  14          HB2       ARG  14  -7.449  -0.194  -8.906
   89   1HG   ARG  14          HG2       ARG  14  -8.328   0.475 -10.987
   90   2HG   ARG  14          HG3       ARG  14  -7.036  -0.743 -11.219
   91   1HD   ARG  14          HD3       ARG  14  -8.531  -1.254 -12.865
   92   2HD   ARG  14          HD2       ARG  14  -8.975  -2.514 -11.651
   93    HE   ARG  14           HE       ARG  14 -10.819  -0.762 -10.917
   94   1HH1  ARG  14          HH1       ARG  14  -9.843  -1.427 -14.166
   95   2HH1  ARG  14          HH1       ARG  14 -11.296  -0.792 -14.901
   96   1HH2  ARG  14          HH2       ARG  14 -12.722  -0.029 -11.848
   97   2HH2  ARG  14          HH2       ARG  14 -12.927  -0.030 -13.577
   98    H    LYS  15           HN       LYS  15  -5.266  -2.565  -8.080
   99    HA   LYS  15           HA       LYS  15  -4.184  -3.340 -10.670
  100   1HB   LYS  15          HB2       LYS  15  -3.408  -1.324  -9.277
  101   2HB   LYS  15          HB3       LYS  15  -2.611  -2.468  -8.174
  102   1HG   LYS  15          HG3       LYS  15  -1.009  -1.599  -9.752
  103   2HG   LYS  15          HG2       LYS  15  -1.291  -3.300 -10.288
  104   1HD   LYS  15          HD3       LYS  15  -2.846  -2.364 -12.084
  105   2HD   LYS  15          HD2       LYS  15  -2.608  -0.726 -11.359
  106   1HE   LYS  15          HE3       LYS  15  -0.207  -0.766 -12.006
  107   2HE   LYS  15          HE2       LYS  15  -0.413  -2.420 -12.719
  108   1HZ   LYS  15          HZ1       LYS  15  -1.869   0.042 -13.537
  109   2HZ   LYS  15          HZ2       LYS  15  -0.581  -0.697 -14.363
  110   3HZ   LYS  15          HZ3       LYS  15  -2.065  -1.508 -14.205
  111    H    GLU  16           HN       GLU  16  -4.146  -4.463  -7.197
  112    HA   GLU  16           HA       GLU  16  -2.614  -6.849  -7.913
  113   1HB   GLU  16          HB2       GLU  16  -2.401  -7.427  -5.513
  114   2HB   GLU  16          HB3       GLU  16  -1.893  -5.748  -5.796
  115   1HG   GLU  16          HG2       GLU  16  -4.351  -5.135  -5.176
  116   2HG   GLU  16          HG3       GLU  16  -4.521  -6.800  -4.546
  117    H    THR  17           HN       THR  17  -6.058  -6.326  -6.902
  118    HA   THR  17           HA       THR  17  -6.430  -9.196  -7.591
  119    HB   THR  17           HB       THR  17  -8.249  -9.603  -6.397
  120    HG1  THR  17           HG1      THR  17  -9.435  -8.068  -5.201
  121   1HG2  THR  17          HG2       THR  17  -6.679  -7.662  -4.567
  122   2HG2  THR  17          HG2       THR  17  -7.593  -9.118  -4.070
  123   3HG2  THR  17          HG2       THR  17  -6.085  -9.298  -5.038
  124    H    GLY  18           HN       GLY  18  -7.663  -5.889  -8.102
  125   1HA   GLY  18          HA1       GLY  18  -7.972  -5.180 -10.325
  126   2HA   GLY  18          HA2       GLY  18  -8.863  -6.664 -10.694
  127    H    CYS  19           HN       CYS  19  -9.890  -6.147  -7.655
  128    HA   CYS  19           HA       CYS  19 -11.978  -4.195  -8.461
  129   1HB   CYS  19          HB3       CYS  19 -13.374  -6.387  -7.083
  130   2HB   CYS  19          HB2       CYS  19 -13.624  -5.670  -8.696
  131    HA   PRO  20           HA       PRO  20 -11.583  -2.688  -4.484
  132   1HB   PRO  20          HB2       PRO  20 -13.708  -0.994  -4.402
  133   2HB   PRO  20          HB3       PRO  20 -12.592  -0.892  -5.784
  134   1HG   PRO  20          HG3       PRO  20 -15.238  -2.435  -5.669
  135   2HG   PRO  20          HG2       PRO  20 -14.737  -1.166  -6.873
  136   1HD   PRO  20          HD2       PRO  20 -14.358  -3.893  -7.283
  137   2HD   PRO  20          HD3       PRO  20 -13.202  -2.642  -7.926
  138    H    TYR  21           HN       TYR  21 -12.250  -5.350  -3.871
  139    HA   TYR  21           HA       TYR  21 -14.449  -5.094  -1.851
  140   1HB   TYR  21          HB3       TYR  21 -13.245  -7.656  -3.211
  141   2HB   TYR  21          HB2       TYR  21 -14.032  -7.670  -1.618
  142    HD1  TYR  21           HD1      TYR  21 -14.829  -6.180  -5.025
  143    HD2  TYR  21           HD2      TYR  21 -16.154  -8.435  -1.589
  144    HE1  TYR  21           HE1      TYR  21 -17.025  -6.587  -6.099
  145    HE2  TYR  21           HE2      TYR  21 -18.239  -8.893  -2.667
  146    HH   TYR  21           HH       TYR  21 -19.483  -8.692  -4.580
  147    H    GLY  22           HN       GLY  22 -12.875  -3.606  -0.580
  148   1HA   GLY  22          HA1       GLY  22 -11.058  -5.381   1.020
  149   2HA   GLY  22          HA2       GLY  22 -10.473  -3.792   0.402
  150    H    LYS  23           HN       LYS  23 -10.564  -4.784   3.175
  151    HA   LYS  23           HA       LYS  23 -12.347  -2.788   4.399
  152   1HB   LYS  23          HB2       LYS  23 -12.844  -5.195   4.935
  153   2HB   LYS  23          HB3       LYS  23 -11.203  -5.402   5.600
  154   1HG   LYS  23          HG2       LYS  23 -12.707  -5.175   7.416
  155   2HG   LYS  23          HG3       LYS  23 -11.880  -3.590   7.385
  156   1HD   LYS  23          HD3       LYS  23 -13.870  -2.586   6.244
  157   2HD   LYS  23          HD2       LYS  23 -14.634  -4.201   6.111
  158   1HE   LYS  23          HE2       LYS  23 -14.010  -2.819   8.816
  159   2HE   LYS  23          HE3       LYS  23 -15.602  -2.751   7.959
  160   1HZ   LYS  23          HZ1       LYS  23 -15.559  -4.453   9.626
  161   2HZ   LYS  23          HZ2       LYS  23 -15.732  -5.138   8.081
  162   3HZ   LYS  23          HZ3       LYS  23 -14.238  -5.223   8.884
  163    H    CYS  24           HN       CYS  24 -11.408  -1.438   5.813
  164    HA   CYS  24           HA       CYS  24  -8.440  -1.429   6.072
  165   1HB   CYS  24          HB3       CYS  24  -9.885   0.617   5.106
  166   2HB   CYS  24          HB2       CYS  24 -10.101   1.046   6.794
  167    H    MET  25           HN       MET  25  -7.579  -1.985   7.968
  168    HA   MET  25           HA       MET  25  -9.083  -1.423  10.486
  169   1HB   MET  25          HB3       MET  25  -7.639  -4.068   9.792
  170   2HB   MET  25          HB2       MET  25  -8.299  -3.664  11.418
  171   1HG   MET  25          HG2       MET  25 -10.640  -3.656  10.414
  172   2HG   MET  25          HG3       MET  25  -9.924  -4.210   8.876
  173   1HE   MET  25          HE1       MET  25  -8.318  -7.685   9.909
  174   2HE   MET  25          HE2       MET  25  -8.243  -6.270   8.796
  175   3HE   MET  25          HE3       MET  25  -7.468  -6.192  10.417
  176    H    ASN  26           HN       ASN  26  -7.820  -0.066  11.578
  177    HA   ASN  26           HA       ASN  26  -6.070   1.073  12.314
  178   1HB   ASN  26          HB3       ASN  26  -5.590  -1.475  13.248
  179   2HB   ASN  26          HB2       ASN  26  -4.144  -1.341  12.231
  180   1HD2  ASN  26          HD2       ASN  26  -2.891   0.889  12.766
  181   2HD2  ASN  26          HD2       ASN  26  -2.806   1.216  14.495
  182    H    ARG  27           HN       ARG  27  -6.332   1.301   9.505
  183    HA   ARG  27           HA       ARG  27  -5.479   2.323   7.769
  184   1HB   ARG  27          HB3       ARG  27  -2.799   2.480   9.212
  185   2HB   ARG  27          HB2       ARG  27  -3.125   3.189   7.604
  186   1HG   ARG  27          HG2       ARG  27  -3.966   5.037   8.435
  187   2HG   ARG  27          HG3       ARG  27  -5.240   4.137   9.311
  188   1HD   ARG  27          HD2       ARG  27  -3.974   5.567  10.888
  189   2HD   ARG  27          HD3       ARG  27  -3.755   3.795  11.243
  190    HE   ARG  27           HE       ARG  27  -1.706   4.945   9.412
  191   1HH1  ARG  27          HH1       ARG  27  -2.501   4.725  12.825
  192   2HH1  ARG  27          HH1       ARG  27  -0.876   4.341  13.289
  193   1HH2  ARG  27          HH2       ARG  27   0.367   4.381  10.106
  194   2HH2  ARG  27          HH2       ARG  27   0.734   4.309  11.800
  195    H    LYS  28           HN       LYS  28  -4.984  -0.809   8.458
  196    HA   LYS  28           HA       LYS  28  -3.208  -1.447   6.201
  197   1HB   LYS  28          HB3       LYS  28  -2.876  -2.207   8.680
  198   2HB   LYS  28          HB2       LYS  28  -4.252  -3.304   8.435
  199   1HG   LYS  28          HG3       LYS  28  -2.482  -4.640   8.195
  200   2HG   LYS  28          HG2       LYS  28  -2.826  -4.363   6.469
  201   1HD   LYS  28          HD2       LYS  28  -0.760  -2.700   8.112
  202   2HD   LYS  28          HD3       LYS  28  -0.358  -4.329   7.507
  203   1HE   LYS  28          HE3       LYS  28  -1.194  -2.040   5.621
  204   2HE   LYS  28          HE2       LYS  28   0.502  -2.514   6.010
  205   1HZ   LYS  28          HZ1       LYS  28  -0.279  -3.558   3.995
  206   2HZ   LYS  28          HZ2       LYS  28   0.055  -4.724   5.184
  207   3HZ   LYS  28          HZ3       LYS  28  -1.553  -4.314   4.823
  208    H    CYS  29           HN       CYS  29  -3.867  -2.524   4.351
  209    HA   CYS  29           HA       CYS  29  -6.713  -3.219   4.083
  210   1HB   CYS  29          HB2       CYS  29  -4.486  -3.456   1.922
  211   2HB   CYS  29          HB3       CYS  29  -6.256  -3.696   1.709
  212    H    LYS  30           HN       LYS  30  -7.496  -5.187   4.039
  213    HA   LYS  30           HA       LYS  30  -5.884  -7.425   3.021
  214   1HB   LYS  30          HB3       LYS  30  -7.302  -8.997   4.293
  215   2HB   LYS  30          HB2       LYS  30  -6.334  -7.923   5.353
  216   1HG   LYS  30          HG3       LYS  30  -8.361  -6.450   5.716
  217   2HG   LYS  30          HG2       LYS  30  -9.355  -7.677   4.860
  218   1HD   LYS  30          HD2       LYS  30  -7.625  -8.135   7.374
  219   2HD   LYS  30          HD3       LYS  30  -9.405  -7.899   7.372
  220   1HE   LYS  30          HE3       LYS  30  -9.717 -10.032   6.097
  221   2HE   LYS  30          HE2       LYS  30  -7.925 -10.302   6.101
  222   1HZ   LYS  30          HZ1       LYS  30  -9.658 -10.055   8.498
  223   2HZ   LYS  30          HZ2       LYS  30  -9.010 -11.486   7.852
  224   3HZ   LYS  30          HZ3       LYS  30  -7.977 -10.301   8.494
  225    H    CYS  31           HN       CYS  31  -6.773  -8.045   0.990
  226    HA   CYS  31           HA       CYS  31  -9.378  -6.848   0.272
  227   1HB   CYS  31          HB2       CYS  31  -7.142  -5.823  -0.785
  228   2HB   CYS  31          HB3       CYS  31  -7.230  -7.224  -1.867
  229    H    ASN  32           HN       ASN  32 -10.398  -7.812  -1.653
  230    HA   ASN  32           HA       ASN  32 -10.121 -10.742  -1.816
  231   1HB   ASN  32          HB2       ASN  32 -11.850 -10.106  -0.063
  232   2HB   ASN  32          HB3       ASN  32 -12.746  -9.137  -1.284
  233   1HD2  ASN  32          HD2       ASN  32 -14.633 -10.646  -0.711
  234   2HD2  ASN  32          HD2       ASN  32 -14.657 -12.091  -1.706
  235    H    ARG  33           HN       ARG  33 -12.008 -11.265  -3.595
  236    HA   ARG  33           HA       ARG  33 -11.332  -9.809  -6.089
  237   1HB   ARG  33          HB2       ARG  33 -11.889 -12.105  -7.155
  238   2HB   ARG  33          HB3       ARG  33 -10.514 -12.005  -6.077
  239   1HG   ARG  33          HG2       ARG  33 -11.451 -14.051  -5.643
  240   2HG   ARG  33          HG3       ARG  33 -11.592 -13.079  -4.172
  241   1HD   ARG  33          HD2       ARG  33 -13.947 -14.029  -5.995
  242   2HD   ARG  33          HD3       ARG  33 -13.388 -14.655  -4.399
  243    HE   ARG  33           HE       ARG  33 -14.128 -11.749  -4.359
  244   1HH1  ARG  33          HH1       ARG  33 -15.435 -15.043  -3.927
  245   2HH1  ARG  33          HH1       ARG  33 -16.940 -14.389  -3.369
  246   1HH2  ARG  33          HH2       ARG  33 -16.030 -11.108  -3.669
  247   2HH2  ARG  33          HH2       ARG  33 -17.293 -12.239  -3.226
  248    H    CYS  34           HN       CYS  34 -13.249  -9.828  -7.760
  249    HA   CYS  34           HA       CYS  34 -15.796  -9.338  -6.383
  250   1HB   CYS  34          HB3       CYS  34 -16.418  -8.424  -8.685
  251   2HB   CYS  34          HB2       CYS  34 -15.302  -7.494  -7.671
  252   1HN   NH2  35          HT1       CYS  34 -15.750 -11.967  -6.051
  253   2HN   NH2  35          HT2       CYS  34 -16.529 -12.775  -7.377
  Start of MODEL   18
    1   2H    ALA   1          HN2       ALA   1  -0.788  -3.379   2.394
    2    H    ALA   1           HN       ALA   1  -2.145  -3.521   1.411
    3   3H    ALA   1          HN3       ALA   1  -0.590  -3.615   0.710
    4    HA   ALA   1           HA       ALA   1  -0.181  -1.309   1.217
    5   1HB   ALA   1          HB1       ALA   1  -1.989  -0.254  -0.259
    6   2HB   ALA   1          HB2       ALA   1  -1.484  -1.836  -0.904
    7   3HB   ALA   1          HB3       ALA   1  -3.033  -1.694  -0.001
    8    H    SER   2           HN       SER   2  -1.298   0.904   1.952
    9    HA   SER   2           HA       SER   2  -2.842   0.412   4.398
   10   1HB   SER   2          HB3       SER   2  -0.452   2.209   3.884
   11   2HB   SER   2          HB2       SER   2  -1.687   2.824   5.026
   12    HG   SER   2           HG       SER   2  -1.442   1.134   6.316
   13    H    CYS   3           HN       CYS   3  -4.198   2.081   5.162
   14    HA   CYS   3           HA       CYS   3  -5.346   3.951   3.210
   15   1HB   CYS   3          HB3       CYS   3  -7.761   2.937   3.847
   16   2HB   CYS   3          HB2       CYS   3  -6.789   2.210   2.602
   17    H    ARG   4           HN       ARG   4  -7.307   5.011   4.239
   18    HA   ARG   4           HA       ARG   4  -6.891   5.651   7.116
   19   1HB   ARG   4          HB2       ARG   4  -8.359   7.389   5.004
   20   2HB   ARG   4          HB3       ARG   4  -8.112   7.791   6.728
   21   1HG   ARG   4          HG3       ARG   4  -5.937   7.585   4.580
   22   2HG   ARG   4          HG2       ARG   4  -6.756   9.045   5.225
   23   1HD   ARG   4          HD2       ARG   4  -4.884   9.217   6.560
   24   2HD   ARG   4          HD3       ARG   4  -5.866   8.150   7.619
   25    HE   ARG   4           HE       ARG   4  -4.311   6.393   7.189
   26   1HH1  ARG   4          HH1       ARG   4  -3.942   8.719   4.578
   27   2HH1  ARG   4          HH1       ARG   4  -2.383   8.092   4.123
   28   1HH2  ARG   4          HH2       ARG   4  -2.459   5.575   6.507
   29   2HH2  ARG   4          HH2       ARG   4  -1.536   6.337   5.235
   30    H    THR   5           HN       THR   5  -9.309   5.266   4.481
   31    HA   THR   5           HA       THR   5 -11.188   3.883   6.240
   32    HB   THR   5           HB       THR   5 -13.070   4.905   4.915
   33    HG1  THR   5           HG1      THR   5 -12.429   6.962   3.917
   34   1HG2  THR   5          HG2       THR   5 -13.015   7.146   6.037
   35   2HG2  THR   5          HG2       THR   5 -12.391   5.881   7.150
   36   3HG2  THR   5          HG2       THR   5 -11.246   6.984   6.308
   37    HA   PRO   6           HA       PRO   6 -10.528   0.860   3.050
   38   1HB   PRO   6          HB2       PRO   6 -13.468   0.142   2.808
   39   2HB   PRO   6          HB3       PRO   6 -12.060  -0.843   3.295
   40   1HG   PRO   6          HG2       PRO   6 -13.935   0.094   5.114
   41   2HG   PRO   6          HG3       PRO   6 -12.185   0.013   5.540
   42   1HD   PRO   6          HD3       PRO   6 -13.719   2.478   4.624
   43   2HD   PRO   6          HD2       PRO   6 -12.548   2.231   6.011
   44    H    LYS   7           HN       LYS   7 -12.617   3.445   2.144
   45    HA   LYS   7           HA       LYS   7 -13.044   3.018  -0.611
   46   1HB   LYS   7          HB3       LYS   7 -13.086   5.623   1.056
   47   2HB   LYS   7          HB2       LYS   7 -13.678   5.439  -0.628
   48   1HG   LYS   7          HG2       LYS   7 -15.554   5.480   0.672
   49   2HG   LYS   7          HG3       LYS   7 -15.400   3.771   0.156
   50   1HD   LYS   7          HD2       LYS   7 -14.737   3.089   2.395
   51   2HD   LYS   7          HD3       LYS   7 -14.397   4.788   2.900
   52   1HE   LYS   7          HE3       LYS   7 -17.215   3.734   2.212
   53   2HE   LYS   7          HE2       LYS   7 -16.519   3.826   3.885
   54   1HZ   LYS   7          HZ1       LYS   7 -16.863   6.111   2.021
   55   2HZ   LYS   7          HZ2       LYS   7 -17.838   5.739   3.359
   56   3HZ   LYS   7          HZ3       LYS   7 -16.214   6.179   3.589
   57    H    ASP   8           HN       ASP   8 -10.129   3.958   1.123
   58    HA   ASP   8           HA       ASP   8  -8.970   5.378  -1.160
   59   1HB   ASP   8          HB2       ASP   8  -7.727   4.614   1.564
   60   2HB   ASP   8          HB3       ASP   8  -7.036   5.762   0.357
   61    H    CYS   9           HN       CYS   9  -9.390   2.026  -0.530
   62    HA   CYS   9           HA       CYS   9  -6.679   1.443  -1.619
   63   1HB   CYS   9          HB3       CYS   9  -7.451   0.894   0.841
   64   2HB   CYS   9          HB2       CYS   9  -8.147  -0.582   0.127
   65    H    ALA  10           HN       ALA  10  -9.515   1.804  -2.857
   66    HA   ALA  10           HA       ALA  10 -10.136  -0.476  -4.303
   67   1HB   ALA  10          HB1       ALA  10 -11.528   1.177  -5.681
   68   2HB   ALA  10          HB2       ALA  10 -11.680   1.441  -3.918
   69   3HB   ALA  10          HB3       ALA  10 -10.643   2.526  -4.891
   70    H    ASP  11           HN       ASP  11  -8.282   2.423  -5.263
   71    HA   ASP  11           HA       ASP  11  -7.384   1.536  -7.788
   72   1HB   ASP  11          HB2       ASP  11  -6.361   3.825  -5.981
   73   2HB   ASP  11          HB3       ASP  11  -5.950   3.604  -7.730
   74    HA   PRO  12           HA       PRO  12  -3.191   0.199  -5.870
   75   1HB   PRO  12          HB2       PRO  12  -2.792  -0.130  -3.166
   76   2HB   PRO  12          HB3       PRO  12  -2.844   1.509  -3.928
   77   1HG   PRO  12          HG3       PRO  12  -5.213   0.315  -2.656
   78   2HG   PRO  12          HG2       PRO  12  -4.382   1.859  -2.220
   79   1HD   PRO  12          HD3       PRO  12  -6.442   1.939  -3.986
   80   2HD   PRO  12          HD2       PRO  12  -4.924   2.852  -4.374
   81    H    CYS  13           HN       CYS  13  -6.290  -1.070  -4.530
   82    HA   CYS  13           HA       CYS  13  -5.270  -3.810  -4.517
   83   1HB   CYS  13          HB2       CYS  13  -6.955  -3.363  -2.873
   84   2HB   CYS  13          HB3       CYS  13  -8.144  -2.859  -4.091
   85    H    ARG  14           HN       ARG  14  -7.037  -1.737  -6.879
   86    HA   ARG  14           HA       ARG  14  -7.820  -3.577  -8.806
   87   1HB   ARG  14          HB3       ARG  14  -8.256  -0.979  -8.622
   88   2HB   ARG  14          HB2       ARG  14  -6.615  -0.748  -9.203
   89   1HG   ARG  14          HG2       ARG  14  -8.056  -0.360 -10.988
   90   2HG   ARG  14          HG3       ARG  14  -7.184  -1.892 -11.356
   91   1HD   ARG  14          HD3       ARG  14  -9.551  -2.141 -12.056
   92   2HD   ARG  14          HD2       ARG  14  -9.405  -3.135 -10.594
   93    HE   ARG  14           HE       ARG  14 -10.514  -1.353  -9.263
   94   1HH1  ARG  14          HH2       ARG  14 -10.099  -0.390 -12.504
   95   2HH1  ARG  14          HH2       ARG  14 -11.509   0.639 -12.587
   96   1HH2  ARG  14          HH1       ARG  14 -12.409  -0.058  -9.310
   97   2HH2  ARG  14          HH1       ARG  14 -12.849   0.755 -10.789
   98    H    LYS  15           HN       LYS  15  -4.469  -2.505  -8.250
   99    HA   LYS  15           HA       LYS  15  -3.640  -3.548 -10.829
  100   1HB   LYS  15          HB3       LYS  15  -1.939  -2.203  -8.660
  101   2HB   LYS  15          HB2       LYS  15  -1.436  -2.583 -10.346
  102   1HG   LYS  15          HG3       LYS  15  -3.607  -0.587  -9.453
  103   2HG   LYS  15          HG2       LYS  15  -1.979  -0.194 -10.098
  104   1HD   LYS  15          HD3       LYS  15  -2.690  -1.233 -12.304
  105   2HD   LYS  15          HD2       LYS  15  -4.316  -1.545 -11.578
  106   1HE   LYS  15          HE3       LYS  15  -3.127   1.262 -11.972
  107   2HE   LYS  15          HE2       LYS  15  -4.365   0.468 -13.028
  108   1HZ   LYS  15          HZ1       LYS  15  -4.679   1.079 -10.137
  109   2HZ   LYS  15          HZ2       LYS  15  -5.358   1.938 -11.437
  110   3HZ   LYS  15          HZ3       LYS  15  -5.832   0.335 -11.137
  111    H    GLU  16           HN       GLU  16  -3.907  -4.752  -7.594
  112    HA   GLU  16           HA       GLU  16  -2.129  -7.041  -8.187
  113   1HB   GLU  16          HB2       GLU  16  -2.098  -7.706  -5.830
  114   2HB   GLU  16          HB3       GLU  16  -1.485  -6.041  -6.043
  115   1HG   GLU  16          HG3       GLU  16  -3.619  -5.117  -5.227
  116   2HG   GLU  16          HG2       GLU  16  -4.323  -6.760  -5.062
  117    H    THR  17           HN       THR  17  -5.684  -6.471  -7.290
  118    HA   THR  17           HA       THR  17  -6.075  -9.323  -7.936
  119    HB   THR  17           HB       THR  17  -8.285  -9.111  -6.969
  120    HG1  THR  17           HG1      THR  17  -8.431  -7.064  -5.601
  121    H    GLY  18           HN       GLY  18  -7.608  -6.281  -8.393
  122   1HA   GLY  18          HA1       GLY  18  -8.200  -5.187 -10.390
  123   2HA   GLY  18          HA2       GLY  18  -8.575  -6.733 -11.148
  124    H    CYS  19           HN       CYS  19  -9.592  -6.691  -7.835
  125    HA   CYS  19           HA       CYS  19 -12.218  -5.519  -8.601
  126   1HB   CYS  19          HB3       CYS  19 -12.724  -7.637  -8.530
  127   2HB   CYS  19          HB2       CYS  19 -11.945  -8.018  -6.938
  128    HA   PRO  20           HA       PRO  20 -10.647  -2.792  -5.342
  129   1HB   PRO  20          HB3       PRO  20 -12.699  -0.816  -5.528
  130   2HB   PRO  20          HB2       PRO  20 -11.589  -1.154  -6.908
  131   1HG   PRO  20          HG3       PRO  20 -14.272  -2.223  -6.443
  132   2HG   PRO  20          HG2       PRO  20 -13.700  -1.409  -7.943
  133   1HD   PRO  20          HD3       PRO  20 -13.691  -4.224  -7.752
  134   2HD   PRO  20          HD2       PRO  20 -12.352  -3.303  -8.565
  135    H    TYR  21           HN       TYR  21 -11.525  -5.009  -4.138
  136    HA   TYR  21           HA       TYR  21 -13.731  -4.352  -2.230
  137   1HB   TYR  21          HB3       TYR  21 -13.079  -6.883  -3.910
  138   2HB   TYR  21          HB2       TYR  21 -13.448  -7.212  -2.262
  139    HD1  TYR  21           HD1      TYR  21 -14.982  -4.449  -4.477
  140    HD2  TYR  21           HD2      TYR  21 -15.581  -8.089  -2.225
  141    HE1  TYR  21           HE1      TYR  21 -17.360  -4.245  -4.809
  142    HE2  TYR  21           HE2      TYR  21 -17.996  -7.902  -2.615
  143    HH   TYR  21           HH       TYR  21 -19.437  -5.080  -4.250
  144    H    GLY  22           HN       GLY  22 -11.638  -3.170  -1.280
  145   1HA   GLY  22          HA1       GLY  22 -10.351  -5.092   0.634
  146   2HA   GLY  22          HA2       GLY  22  -9.628  -3.538   0.160
  147    H    LYS  23           HN       LYS  23 -10.270  -4.857   2.861
  148    HA   LYS  23           HA       LYS  23 -12.118  -2.834   3.961
  149   1HB   LYS  23          HB3       LYS  23 -11.514  -5.736   4.735
  150   2HB   LYS  23          HB2       LYS  23 -12.433  -4.617   5.802
  151   1HG   LYS  23          HG3       LYS  23 -14.334  -4.522   4.368
  152   2HG   LYS  23          HG2       LYS  23 -13.438  -5.100   2.933
  153   1HD   LYS  23          HD3       LYS  23 -14.800  -6.900   3.541
  154   2HD   LYS  23          HD2       LYS  23 -13.117  -7.337   3.980
  155   1HE   LYS  23          HE2       LYS  23 -14.632  -8.132   5.716
  156   2HE   LYS  23          HE3       LYS  23 -13.697  -6.755   6.425
  157   1HZ   LYS  23          HZ1       LYS  23 -16.030  -6.632   6.932
  158   2HZ   LYS  23          HZ2       LYS  23 -15.583  -5.327   5.941
  159   3HZ   LYS  23          HZ3       LYS  23 -16.448  -6.635   5.286
  160    H    CYS  24           HN       CYS  24 -11.276  -1.537   5.563
  161    HA   CYS  24           HA       CYS  24  -8.387  -1.594   5.936
  162   1HB   CYS  24          HB3       CYS  24  -9.923   0.442   5.246
  163   2HB   CYS  24          HB2       CYS  24 -10.189   0.652   6.978
  164    H    MET  25           HN       MET  25  -7.554  -2.663   7.568
  165    HA   MET  25           HA       MET  25  -8.883  -2.685  10.249
  166   1HB   MET  25          HB3       MET  25  -7.281  -4.829   8.695
  167   2HB   MET  25          HB2       MET  25  -7.531  -4.963  10.467
  168   1HG   MET  25          HG3       MET  25  -9.975  -5.172  10.187
  169   2HG   MET  25          HG2       MET  25  -9.835  -4.936   8.419
  170   1HE   MET  25          HE1       MET  25 -11.011  -8.599   9.148
  171   2HE   MET  25          HE2       MET  25 -11.280  -7.130  10.143
  172   3HE   MET  25          HE3       MET  25 -11.388  -7.029   8.350
  173    H    ASN  26           HN       ASN  26  -7.892  -1.135  11.324
  174    HA   ASN  26           HA       ASN  26  -6.380   0.161  12.245
  175   1HB   ASN  26          HB3       ASN  26  -5.550  -2.314  13.073
  176   2HB   ASN  26          HB2       ASN  26  -4.078  -1.890  12.182
  177   1HD2  ASN  26          HD2       ASN  26  -3.575   0.742  12.878
  178   2HD2  ASN  26          HD2       ASN  26  -3.635   0.984  14.616
  179    H    ARG  27           HN       ARG  27  -6.523   0.526   9.440
  180    HA   ARG  27           HA       ARG  27  -5.690   1.993   7.985
  181   1HB   ARG  27          HB3       ARG  27  -2.879   1.883   9.184
  182   2HB   ARG  27          HB2       ARG  27  -3.476   3.017   7.921
  183   1HG   ARG  27          HG3       ARG  27  -4.960   4.134   9.599
  184   2HG   ARG  27          HG2       ARG  27  -4.348   2.998  10.846
  185   1HD   ARG  27          HD2       ARG  27  -1.964   3.711  10.201
  186   2HD   ARG  27          HD3       ARG  27  -2.693   5.072   9.281
  187    HE   ARG  27           HE       ARG  27  -3.447   6.083  11.302
  188   1HH1  ARG  27          HH1       ARG  27  -1.897   3.076  11.933
  189   2HH1  ARG  27          HH1       ARG  27  -1.407   3.498  13.572
  190   1HH2  ARG  27          HH2       ARG  27  -2.982   6.602  13.375
  191   2HH2  ARG  27          HH2       ARG  27  -2.094   5.522  14.396
  192    H    LYS  28           HN       LYS  28  -5.186  -1.218   8.050
  193    HA   LYS  28           HA       LYS  28  -3.485  -1.287   5.630
  194   1HB   LYS  28          HB2       LYS  28  -3.731  -3.380   7.874
  195   2HB   LYS  28          HB3       LYS  28  -2.809  -3.604   6.351
  196   1HG   LYS  28          HG2       LYS  28  -1.347  -1.711   6.861
  197   2HG   LYS  28          HG3       LYS  28  -2.159  -1.424   8.440
  198   1HD   LYS  28          HD3       LYS  28  -0.772  -4.059   7.663
  199   2HD   LYS  28          HD2       LYS  28  -0.022  -2.733   8.607
  200   1HE   LYS  28          HE2       LYS  28  -1.772  -2.981  10.393
  201   2HE   LYS  28          HE3       LYS  28  -2.530  -4.343   9.477
  202   1HZ   LYS  28          HZ1       LYS  28  -0.451  -5.524   9.611
  203   2HZ   LYS  28          HZ2       LYS  28   0.261  -4.250  10.479
  204   3HZ   LYS  28          HZ3       LYS  28  -1.035  -5.117  11.152
  205    H    CYS  29           HN       CYS  29  -4.193  -2.352   3.836
  206    HA   CYS  29           HA       CYS  29  -7.026  -3.068   3.817
  207   1HB   CYS  29          HB3       CYS  29  -5.537  -3.076   1.143
  208   2HB   CYS  29          HB2       CYS  29  -7.113  -2.507   1.669
  209    H    LYS  30           HN       LYS  30  -7.602  -5.135   4.048
  210    HA   LYS  30           HA       LYS  30  -6.002  -7.378   2.995
  211   1HB   LYS  30          HB3       LYS  30  -8.595  -7.312   4.705
  212   2HB   LYS  30          HB2       LYS  30  -7.626  -8.774   4.324
  213   1HG   LYS  30          HG2       LYS  30  -6.697  -6.390   6.110
  214   2HG   LYS  30          HG3       LYS  30  -7.542  -7.876   6.629
  215   1HD   LYS  30          HD3       LYS  30  -5.394  -8.380   7.182
  216   2HD   LYS  30          HD2       LYS  30  -5.597  -9.262   5.637
  217   1HE   LYS  30          HE2       LYS  30  -4.244  -7.421   4.494
  218   2HE   LYS  30          HE3       LYS  30  -4.127  -6.559   6.082
  219   1HZ   LYS  30          HZ1       LYS  30  -2.184  -7.869   5.622
  220   2HZ   LYS  30          HZ2       LYS  30  -2.999  -8.474   6.984
  221   3HZ   LYS  30          HZ3       LYS  30  -3.106  -9.291   5.500
  222    H    CYS  31           HN       CYS  31  -6.638  -7.954   0.767
  223    HA   CYS  31           HA       CYS  31  -9.163  -6.749  -0.108
  224   1HB   CYS  31          HB2       CYS  31  -6.932  -6.239  -1.176
  225   2HB   CYS  31          HB3       CYS  31  -7.150  -7.709  -2.144
  226    H    ASN  32           HN       ASN  32 -10.400  -7.977  -2.024
  227    HA   ASN  32           HA       ASN  32 -10.860 -10.753  -1.253
  228   1HB   ASN  32          HB2       ASN  32 -11.995  -9.160   0.437
  229   2HB   ASN  32          HB3       ASN  32 -13.066  -8.539  -0.806
  230   1HD2  ASN  32          HD2       ASN  32 -14.884 -10.302  -1.418
  231   2HD2  ASN  32          HD2       ASN  32 -15.062 -11.583  -0.240
  232    H    ARG  33           HN       ARG  33 -13.410 -11.106  -2.509
  233    HA   ARG  33           HA       ARG  33 -13.088 -10.060  -5.212
  234   1HB   ARG  33          HB3       ARG  33 -12.214 -12.514  -4.653
  235   2HB   ARG  33          HB2       ARG  33 -13.920 -12.990  -4.739
  236   1HG   ARG  33          HG2       ARG  33 -12.519 -13.344  -6.793
  237   2HG   ARG  33          HG3       ARG  33 -13.935 -12.309  -7.162
  238   1HD   ARG  33          HD3       ARG  33 -11.633 -11.664  -8.255
  239   2HD   ARG  33          HD2       ARG  33 -12.558 -10.356  -7.440
  240    HE   ARG  33           HE       ARG  33 -11.080 -10.377  -5.528
  241   1HH1  ARG  33          HH1       ARG  33  -9.717 -12.175  -8.238
  242   2HH1  ARG  33          HH1       ARG  33  -8.217 -12.481  -7.405
  243   1HH2  ARG  33          HH2       ARG  33  -9.217 -10.686  -4.582
  244   2HH2  ARG  33          HH2       ARG  33  -7.888 -11.473  -5.381
  245    H    CYS  34           HN       CYS  34 -14.975 -10.284  -6.550
  246    HA   CYS  34           HA       CYS  34 -17.515  -9.876  -5.178
  247   1HB   CYS  34          HB2       CYS  34 -17.839  -8.115  -7.068
  248   2HB   CYS  34          HB3       CYS  34 -16.712  -7.665  -5.759
  249   1HN   NH2  35          HT1       CYS  34 -19.331 -10.409  -6.770
  250   2HN   NH2  35          HT2       CYS  34 -18.985 -11.576  -8.011
  Start of MODEL   19
    1   2H    ALA   1          HN2       ALA   1  -2.721  -3.690   0.878
    2    H    ALA   1           HN       ALA   1  -1.235  -4.007   0.109
    3   3H    ALA   1          HN3       ALA   1  -1.313  -3.805   1.801
    4    HA   ALA   1           HA       ALA   1  -0.431  -1.820   0.628
    5   1HB   ALA   1          HB1       ALA   1  -2.102  -0.488  -0.824
    6   2HB   ALA   1          HB2       ALA   1  -1.833  -2.124  -1.453
    7   3HB   ALA   1          HB3       ALA   1  -3.330  -1.761  -0.529
    8    H    SER   2           HN       SER   2  -1.310   0.593   1.351
    9    HA   SER   2           HA       SER   2  -2.425   0.317   4.036
   10   1HB   SER   2          HB3       SER   2  -0.761   2.549   2.713
   11   2HB   SER   2          HB2       SER   2  -1.438   2.659   4.384
   12    HG   SER   2           HG       SER   2  -0.095   1.140   5.051
   13    H    CYS   3           HN       CYS   3  -3.952   1.852   4.811
   14    HA   CYS   3           HA       CYS   3  -5.515   3.448   2.905
   15   1HB   CYS   3          HB2       CYS   3  -7.716   2.362   3.867
   16   2HB   CYS   3          HB3       CYS   3  -6.732   1.417   2.740
   17    H    ARG   4           HN       ARG   4  -7.306   4.578   4.152
   18    HA   ARG   4           HA       ARG   4  -6.482   5.478   6.861
   19   1HB   ARG   4          HB2       ARG   4  -7.662   7.160   4.574
   20   2HB   ARG   4          HB3       ARG   4  -7.568   7.716   6.289
   21   1HG   ARG   4          HG3       ARG   4  -5.197   7.385   6.383
   22   2HG   ARG   4          HG2       ARG   4  -5.088   6.986   4.634
   23   1HD   ARG   4          HD3       ARG   4  -5.644   9.367   4.025
   24   2HD   ARG   4          HD2       ARG   4  -5.994   9.735   5.782
   25    HE   ARG   4           HE       ARG   4  -3.424   8.581   5.736
   26   1HH1  ARG   4          HH1       ARG   4  -4.920  11.508   4.549
   27   2HH1  ARG   4          HH1       ARG   4  -3.512  12.472   4.887
   28   1HH2  ARG   4          HH2       ARG   4  -1.668   9.775   6.041
   29   2HH2  ARG   4          HH2       ARG   4  -1.676  11.482   5.704
   30    H    THR   5           HN       THR   5  -9.212   5.395   4.471
   31    HA   THR   5           HA       THR   5 -10.928   4.038   6.408
   32    HB   THR   5           HB       THR   5 -12.848   5.102   5.098
   33    HG1  THR   5           HG1      THR   5 -12.250   7.011   3.969
   34   1HG2  THR   5          HG2       THR   5 -10.861   7.064   6.461
   35   2HG2  THR   5          HG2       THR   5 -12.619   7.338   6.232
   36   3HG2  THR   5          HG2       THR   5 -12.055   6.035   7.334
   37    HA   PRO   6           HA       PRO   6 -10.601   0.838   3.273
   38   1HB   PRO   6          HB2       PRO   6 -13.615   0.385   3.302
   39   2HB   PRO   6          HB3       PRO   6 -12.267  -0.746   3.563
   40   1HG   PRO   6          HG3       PRO   6 -13.795   0.273   5.640
   41   2HG   PRO   6          HG2       PRO   6 -12.007   0.133   5.845
   42   1HD   PRO   6          HD3       PRO   6 -13.559   2.640   5.065
   43   2HD   PRO   6          HD2       PRO   6 -12.261   2.363   6.331
   44    H    LYS   7           HN       LYS   7 -12.646   3.552   2.339
   45    HA   LYS   7           HA       LYS   7 -13.038   2.793  -0.410
   46   1HB   LYS   7          HB3       LYS   7 -14.173   4.917  -0.677
   47   2HB   LYS   7          HB2       LYS   7 -14.712   3.987   0.747
   48   1HG   LYS   7          HG3       LYS   7 -14.710   6.041   1.688
   49   2HG   LYS   7          HG2       LYS   7 -13.055   5.581   2.130
   50   1HD   LYS   7          HD3       LYS   7 -12.527   6.846  -0.259
   51   2HD   LYS   7          HD2       LYS   7 -14.146   7.544   0.058
   52   1HE   LYS   7          HE3       LYS   7 -11.563   7.778   1.721
   53   2HE   LYS   7          HE2       LYS   7 -12.504   9.120   0.952
   54   1HZ   LYS   7          HZ1       LYS   7 -13.374   7.392   3.224
   55   2HZ   LYS   7          HZ2       LYS   7 -12.839   9.001   3.323
   56   3HZ   LYS   7          HZ3       LYS   7 -14.291   8.635   2.521
   57    H    ASP   8           HN       ASP   8 -10.114   3.739   1.141
   58    HA   ASP   8           HA       ASP   8  -9.091   5.206  -1.179
   59   1HB   ASP   8          HB3       ASP   8  -7.768   4.509   1.542
   60   2HB   ASP   8          HB2       ASP   8  -7.088   5.584   0.259
   61    H    CYS   9           HN       CYS   9  -9.567   1.918  -0.359
   62    HA   CYS   9           HA       CYS   9  -6.950   1.114  -1.437
   63   1HB   CYS   9          HB3       CYS   9  -7.834   0.483   0.935
   64   2HB   CYS   9          HB2       CYS   9  -8.748  -0.802   0.117
   65    H    ALA  10           HN       ALA  10  -9.927   1.739  -2.666
   66    HA   ALA  10           HA       ALA  10 -10.646  -0.461  -4.174
   67   1HB   ALA  10          HB1       ALA  10 -11.056   2.549  -4.674
   68   2HB   ALA  10          HB2       ALA  10 -11.989   1.238  -5.483
   69   3HB   ALA  10          HB3       ALA  10 -12.102   1.469  -3.706
   70    H    ASP  11           HN       ASP  11  -8.655   2.354  -5.145
   71    HA   ASP  11           HA       ASP  11  -7.959   1.435  -7.741
   72   1HB   ASP  11          HB2       ASP  11  -6.736   3.694  -6.043
   73   2HB   ASP  11          HB3       ASP  11  -6.440   3.443  -7.807
   74    HA   PRO  12           HA       PRO  12  -3.696  -0.063  -6.074
   75   1HB   PRO  12          HB3       PRO  12  -3.395  -0.561  -3.283
   76   2HB   PRO  12          HB2       PRO  12  -2.882   0.923  -4.143
   77   1HG   PRO  12          HG2       PRO  12  -5.407   0.306  -2.645
   78   2HG   PRO  12          HG3       PRO  12  -4.400   1.815  -2.518
   79   1HD   PRO  12          HD2       PRO  12  -6.734   1.741  -3.985
   80   2HD   PRO  12          HD3       PRO  12  -5.287   2.671  -4.567
   81    H    CYS  13           HN       CYS  13  -6.815  -1.228  -4.630
   82    HA   CYS  13           HA       CYS  13  -6.006  -3.967  -4.487
   83   1HB   CYS  13          HB2       CYS  13  -7.616  -3.125  -2.926
   84   2HB   CYS  13          HB3       CYS  13  -8.747  -2.687  -4.233
   85    H    ARG  14           HN       ARG  14  -7.578  -1.895  -6.963
   86    HA   ARG  14           HA       ARG  14  -8.155  -3.873  -8.908
   87   1HB   ARG  14          HB3       ARG  14  -9.019  -1.449  -8.892
   88   2HB   ARG  14          HB2       ARG  14  -7.359  -0.864  -9.099
   89   1HG   ARG  14          HG2       ARG  14  -8.593  -0.689 -11.179
   90   2HG   ARG  14          HG3       ARG  14  -7.182  -1.777 -11.342
   91   1HD   ARG  14          HD2       ARG  14  -9.261  -2.634 -12.529
   92   2HD   ARG  14          HD3       ARG  14  -8.617  -3.812 -11.319
   93    HE   ARG  14           HE       ARG  14 -10.471  -2.144  -9.916
   94    HH1  ARG  14           HH1      ARG  14 -13.316  -2.334 -11.609
   95    HH1  ARG  14           HH1      ARG  14 -12.281  -1.339 -10.649
   96    HH2  ARG  14           HH2      ARG  14 -12.495  -4.481 -12.315
   97    HH2  ARG  14           HH2      ARG  14 -10.873  -4.852 -11.791
   98    H    LYS  15           HN       LYS  15  -5.102  -2.669  -7.872
   99    HA   LYS  15           HA       LYS  15  -3.769  -3.476 -10.332
  100   1HB   LYS  15          HB2       LYS  15  -3.389  -1.263  -9.248
  101   2HB   LYS  15          HB3       LYS  15  -2.665  -2.057  -7.826
  102   1HG   LYS  15          HG3       LYS  15  -0.815  -2.937  -9.333
  103   2HG   LYS  15          HG2       LYS  15  -1.629  -2.173 -10.751
  104   1HD   LYS  15          HD3       LYS  15  -1.393   0.064  -9.557
  105   2HD   LYS  15          HD2       LYS  15  -0.510  -0.806  -8.248
  106   1HE   LYS  15          HE3       LYS  15   1.284  -1.464  -9.885
  107   2HE   LYS  15          HE2       LYS  15   0.403  -0.578 -11.198
  108   1HZ   LYS  15          HZ1       LYS  15   0.637   1.438  -9.912
  109   2HZ   LYS  15          HZ2       LYS  15   1.460   0.606  -8.682
  110   3HZ   LYS  15          HZ3       LYS  15   2.149   0.735 -10.230
  111    H    GLU  16           HN       GLU  16  -3.720  -4.227  -6.741
  112    HA   GLU  16           HA       GLU  16  -1.845  -6.428  -7.136
  113   1HB   GLU  16          HB3       GLU  16  -1.852  -6.838  -4.679
  114   2HB   GLU  16          HB2       GLU  16  -1.519  -5.130  -5.015
  115   1HG   GLU  16          HG3       GLU  16  -4.082  -4.782  -4.726
  116   2HG   GLU  16          HG2       GLU  16  -4.188  -6.435  -4.053
  117    H    THR  17           HN       THR  17  -5.419  -6.312  -6.541
  118    HA   THR  17           HA       THR  17  -5.331  -9.239  -7.044
  119    HB   THR  17           HB       THR  17  -5.875  -8.778  -4.698
  120    HG1  THR  17           HG1      THR  17  -6.656 -10.599  -6.257
  121    H    GLY  18           HN       GLY  18  -6.962  -6.172  -7.858
  122   1HA   GLY  18          HA1       GLY  18  -7.308  -5.860 -10.132
  123   2HA   GLY  18          HA2       GLY  18  -7.751  -7.528 -10.386
  124    H    CYS  19           HN       CYS  19  -9.305  -6.470  -7.647
  125    HA   CYS  19           HA       CYS  19 -11.585  -5.265  -9.094
  126   1HB   CYS  19          HB2       CYS  19 -11.606  -7.933  -7.638
  127   2HB   CYS  19          HB3       CYS  19 -13.010  -6.873  -7.365
  128    HA   PRO  20           HA       PRO  20 -10.927  -2.746  -5.535
  129   1HB   PRO  20          HB3       PRO  20 -12.848  -0.807  -5.981
  130   2HB   PRO  20          HB2       PRO  20 -11.764  -1.301  -7.323
  131   1HG   PRO  20          HG3       PRO  20 -14.488  -2.221  -6.814
  132   2HG   PRO  20          HG2       PRO  20 -13.840  -1.566  -8.368
  133   1HD   PRO  20          HD3       PRO  20 -13.969  -4.360  -7.768
  134   2HD   PRO  20          HD2       PRO  20 -12.733  -3.592  -8.857
  135    H    TYR  21           HN       TYR  21 -12.276  -5.135  -4.480
  136    HA   TYR  21           HA       TYR  21 -14.365  -4.032  -2.640
  137   1HB   TYR  21          HB3       TYR  21 -13.689  -7.055  -3.287
  138   2HB   TYR  21          HB2       TYR  21 -14.700  -6.467  -1.943
  139    HD1  TYR  21           HD1      TYR  21 -15.101  -4.844  -5.364
  140    HD2  TYR  21           HD2      TYR  21 -16.390  -7.867  -2.564
  141    HE1  TYR  21           HE1      TYR  21 -17.120  -5.245  -6.696
  142    HE2  TYR  21           HE2      TYR  21 -18.377  -8.265  -3.886
  143    HH   TYR  21           HH       TYR  21 -19.022  -6.486  -6.920
  144    H    GLY  22           HN       GLY  22 -13.274  -3.090  -0.765
  145   1HA   GLY  22          HA1       GLY  22 -11.505  -5.052   0.602
  146   2HA   GLY  22          HA2       GLY  22 -10.797  -3.471   0.102
  147    H    LYS  23           HN       LYS  23 -10.758  -4.501   2.710
  148    HA   LYS  23           HA       LYS  23 -12.462  -2.664   4.239
  149   1HB   LYS  23          HB3       LYS  23 -11.678  -5.610   4.669
  150   2HB   LYS  23          HB2       LYS  23 -12.331  -4.603   6.008
  151   1HG   LYS  23          HG3       LYS  23 -14.506  -4.467   5.081
  152   2HG   LYS  23          HG2       LYS  23 -13.945  -4.830   3.425
  153   1HD   LYS  23          HD3       LYS  23 -15.158  -6.706   4.176
  154   2HD   LYS  23          HD2       LYS  23 -13.431  -7.160   3.994
  155   1HE   LYS  23          HE3       LYS  23 -13.148  -7.102   6.496
  156   2HE   LYS  23          HE2       LYS  23 -14.863  -6.544   6.681
  157   1HZ   LYS  23          HZ1       LYS  23 -14.639  -8.902   6.990
  158   2HZ   LYS  23          HZ2       LYS  23 -15.579  -8.573   5.615
  159   3HZ   LYS  23          HZ3       LYS  23 -13.973  -9.097   5.439
  160    H    CYS  24           HN       CYS  24 -11.263  -1.538   5.813
  161    HA   CYS  24           HA       CYS  24  -8.322  -1.752   5.693
  162   1HB   CYS  24          HB3       CYS  24  -9.758   0.426   5.437
  163   2HB   CYS  24          HB2       CYS  24  -9.974   0.387   7.186
  164    H    MET  25           HN       MET  25  -7.110  -2.769   7.316
  165    HA   MET  25           HA       MET  25  -8.477  -3.351   9.920
  166   1HB   MET  25          HB2       MET  25  -6.366  -5.084   8.462
  167   2HB   MET  25          HB3       MET  25  -6.940  -5.346  10.127
  168   1HG   MET  25          HG2       MET  25  -9.237  -5.894   9.348
  169   2HG   MET  25          HG3       MET  25  -8.776  -5.557   7.663
  170   1HE   MET  25          HE1       MET  25  -7.468  -9.157  10.305
  171   2HE   MET  25          HE2       MET  25  -6.915  -7.498  10.695
  172   3HE   MET  25          HE3       MET  25  -8.669  -7.891  10.722
  173    H    ASN  26           HN       ASN  26  -7.809  -1.162  10.234
  174    HA   ASN  26           HA       ASN  26  -6.735   0.346  11.418
  175   1HB   ASN  26          HB2       ASN  26  -6.462  -1.615  13.012
  176   2HB   ASN  26          HB3       ASN  26  -4.775  -1.801  12.448
  177   1HD2  ASN  26          HD2       ASN  26  -3.466   0.342  12.719
  178   2HD2  ASN  26          HD2       ASN  26  -3.747   1.201  14.231
  179    H    ARG  27           HN       ARG  27  -6.185   0.849   8.953
  180    HA   ARG  27           HA       ARG  27  -4.964   2.160   7.742
  181   1HB   ARG  27          HB3       ARG  27  -2.550   1.843   9.553
  182   2HB   ARG  27          HB2       ARG  27  -2.658   2.969   8.165
  183   1HG   ARG  27          HG2       ARG  27  -4.218   4.404   9.284
  184   2HG   ARG  27          HG3       ARG  27  -4.749   3.118  10.401
  185   1HD   ARG  27          HD2       ARG  27  -3.421   4.743  11.659
  186   2HD   ARG  27          HD3       ARG  27  -2.603   3.119  11.603
  187    HE   ARG  27           HE       ARG  27  -1.803   4.939   9.401
  188   1HH1  ARG  27          HH1       ARG  27  -1.111   4.214  12.794
  189   2HH1  ARG  27          HH1       ARG  27   0.542   4.690  12.633
  190   1HH2  ARG  27          HH2       ARG  27   0.277   5.600   9.326
  191   2HH2  ARG  27          HH2       ARG  27   1.305   5.511  10.733
  192    H    LYS  28           HN       LYS  28  -4.217  -1.088   8.234
  193    HA   LYS  28           HA       LYS  28  -2.783  -1.324   5.642
  194   1HB   LYS  28          HB3       LYS  28  -1.973  -2.371   7.959
  195   2HB   LYS  28          HB2       LYS  28  -3.162  -3.648   7.623
  196   1HG   LYS  28          HG3       LYS  28  -0.719  -2.716   5.918
  197   2HG   LYS  28          HG2       LYS  28  -0.786  -4.163   6.985
  198   1HD   LYS  28          HD3       LYS  28  -2.485  -5.214   5.415
  199   2HD   LYS  28          HD2       LYS  28  -2.350  -3.763   4.383
  200   1HE   LYS  28          HE3       LYS  28   0.166  -4.239   4.129
  201   2HE   LYS  28          HE2       LYS  28  -0.143  -5.839   4.916
  202   1HZ   LYS  28          HZ1       LYS  28  -1.460  -4.783   2.454
  203   2HZ   LYS  28          HZ2       LYS  28  -0.227  -5.950   2.517
  204   3HZ   LYS  28          HZ3       LYS  28  -1.757  -6.293   3.170
  205    H    CYS  29           HN       CYS  29  -3.843  -2.389   3.941
  206    HA   CYS  29           HA       CYS  29  -6.699  -2.998   4.250
  207   1HB   CYS  29          HB2       CYS  29  -4.947  -3.323   1.714
  208   2HB   CYS  29          HB3       CYS  29  -6.738  -3.308   1.807
  209    H    LYS  30           HN       LYS  30  -7.659  -4.983   3.796
  210    HA   LYS  30           HA       LYS  30  -6.043  -7.305   3.054
  211   1HB   LYS  30          HB2       LYS  30  -6.806  -7.585   5.482
  212   2HB   LYS  30          HB3       LYS  30  -8.466  -7.177   4.988
  213   1HG   LYS  30          HG3       LYS  30  -8.449  -9.484   5.283
  214   2HG   LYS  30          HG2       LYS  30  -8.467  -9.328   3.511
  215   1HD   LYS  30          HD3       LYS  30  -6.000  -9.974   5.293
  216   2HD   LYS  30          HD2       LYS  30  -7.037 -11.167   4.444
  217   1HE   LYS  30          HE2       LYS  30  -5.124  -9.171   3.096
  218   2HE   LYS  30          HE3       LYS  30  -5.003 -10.967   3.171
  219   1HZ   LYS  30          HZ1       LYS  30  -7.149  -9.410   1.823
  220   2HZ   LYS  30          HZ2       LYS  30  -5.850 -10.205   1.074
  221   3HZ   LYS  30          HZ3       LYS  30  -7.038 -11.102   1.893
  222    H    CYS  31           HN       CYS  31  -7.072  -8.057   0.952
  223    HA   CYS  31           HA       CYS  31  -9.546  -6.478   0.353
  224   1HB   CYS  31          HB2       CYS  31  -7.138  -5.789  -0.660
  225   2HB   CYS  31          HB3       CYS  31  -7.553  -7.007  -1.880
  226    H    ASN  32           HN       ASN  32 -10.892  -7.252  -1.326
  227    HA   ASN  32           HA       ASN  32 -11.121 -10.223  -1.194
  228   1HB   ASN  32          HB3       ASN  32 -13.401  -8.117  -1.456
  229   2HB   ASN  32          HB2       ASN  32 -13.583  -9.827  -1.033
  230   1HD2  ASN  32          HD2       ASN  32 -12.203 -10.451   1.037
  231   2HD2  ASN  32          HD2       ASN  32 -12.474  -9.300   2.323
  232    H    ARG  33           HN       ARG  33 -12.737 -11.091  -2.909
  233    HA   ARG  33           HA       ARG  33 -11.993 -10.126  -5.559
  234   1HB   ARG  33          HB2       ARG  33 -12.656 -12.261  -6.381
  235   2HB   ARG  33          HB3       ARG  33 -11.669 -12.554  -4.929
  236   1HG   ARG  33          HG3       ARG  33 -14.773 -12.821  -5.097
  237   2HG   ARG  33          HG2       ARG  33 -13.541 -14.103  -5.157
  238   1HD   ARG  33          HD3       ARG  33 -14.404 -14.261  -2.989
  239   2HD   ARG  33          HD2       ARG  33 -12.796 -13.441  -2.766
  240    HE   ARG  33           HE       ARG  33 -14.800 -11.355  -3.108
  241   1HH1  ARG  33          HH1       ARG  33 -13.769 -13.729  -0.665
  242   2HH1  ARG  33          HH1       ARG  33 -14.656 -12.937   0.596
  243   1HH2  ARG  33          HH2       ARG  33 -16.226 -10.784  -1.600
  244   2HH2  ARG  33          HH2       ARG  33 -15.919 -11.117   0.080
  245    H    CYS  34           HN       CYS  34 -13.642  -9.719  -7.109
  246    HA   CYS  34           HA       CYS  34 -16.052  -8.479  -6.192
  247   1HB   CYS  34          HB2       CYS  34 -16.334  -8.231  -8.802
  248   2HB   CYS  34          HB3       CYS  34 -15.077  -7.322  -7.937
  249   1HN   NH2  35          HT1       CYS  34 -17.626 -10.034  -5.454
  250   2HN   NH2  35          HT2       CYS  34 -18.295 -11.212  -6.566
  Start of MODEL   20
    1   2H    ALA   1          HN2       ALA   1  -0.812  -3.489   1.649
    2    H    ALA   1           HN       ALA   1  -2.203  -3.695   0.726
    3   3H    ALA   1          HN3       ALA   1  -0.674  -3.723  -0.034
    4    HA   ALA   1           HA       ALA   1  -0.375  -1.399   0.418
    5   1HB   ALA   1          HB1       ALA   1  -2.329  -0.407  -0.913
    6   2HB   ALA   1          HB2       ALA   1  -1.790  -1.952  -1.613
    7   3HB   ALA   1          HB3       ALA   1  -3.286  -1.899  -0.598
    8    H    SER   2           HN       SER   2  -1.144   0.690   1.360
    9    HA   SER   2           HA       SER   2  -2.276   0.418   3.986
   10   1HB   SER   2          HB3       SER   2  -1.121   2.806   4.079
   11   2HB   SER   2          HB2       SER   2  -0.100   1.355   3.896
   12    HG   SER   2           HG       SER   2  -0.747   3.282   1.967
   13    H    CYS   3           HN       CYS   3  -4.097   1.593   4.737
   14    HA   CYS   3           HA       CYS   3  -5.515   3.324   2.765
   15   1HB   CYS   3          HB2       CYS   3  -7.753   2.297   3.575
   16   2HB   CYS   3          HB3       CYS   3  -6.662   1.278   2.653
   17    H    ARG   4           HN       ARG   4  -7.468   4.364   4.089
   18    HA   ARG   4           HA       ARG   4  -6.519   5.528   6.640
   19   1HB   ARG   4          HB2       ARG   4  -7.695   7.028   4.190
   20   2HB   ARG   4          HB3       ARG   4  -7.526   7.755   5.816
   21   1HG   ARG   4          HG3       ARG   4  -5.171   6.741   4.079
   22   2HG   ARG   4          HG2       ARG   4  -5.850   8.399   4.190
   23   1HD   ARG   4          HD3       ARG   4  -3.980   8.513   5.552
   24   2HD   ARG   4          HD2       ARG   4  -5.391   8.380   6.691
   25    HE   ARG   4           HE       ARG   4  -4.258   5.699   6.188
   26   1HH1  ARG   4          HH1       ARG   4  -3.587   8.716   7.841
   27   2HH1  ARG   4          HH1       ARG   4  -2.554   7.970   9.020
   28   1HH2  ARG   4          HH2       ARG   4  -2.891   4.807   7.766
   29   2HH2  ARG   4          HH2       ARG   4  -2.154   5.817   8.967
   30    H    THR   5           HN       THR   5  -9.264   5.303   4.303
   31    HA   THR   5           HA       THR   5 -10.962   4.032   6.258
   32    HB   THR   5           HB       THR   5 -12.908   5.182   5.118
   33    HG1  THR   5           HG1      THR   5 -12.233   7.193   4.048
   34   1HG2  THR   5          HG2       THR   5 -12.580   7.418   6.221
   35   2HG2  THR   5          HG2       THR   5 -11.957   6.108   7.282
   36   3HG2  THR   5          HG2       THR   5 -10.812   7.126   6.339
   37    HA   PRO   6           HA       PRO   6 -10.858   0.978   2.937
   38   1HB   PRO   6          HB3       PRO   6 -13.948   1.042   2.916
   39   2HB   PRO   6          HB2       PRO   6 -12.860  -0.392   2.977
   40   1HG   PRO   6          HG3       PRO   6 -13.995   0.441   5.279
   41   2HG   PRO   6          HG2       PRO   6 -12.190   0.208   5.270
   42   1HD   PRO   6          HD3       PRO   6 -13.667   2.868   4.832
   43   2HD   PRO   6          HD2       PRO   6 -12.390   2.421   6.069
   44    H    LYS   7           HN       LYS   7 -12.584   3.834   2.159
   45    HA   LYS   7           HA       LYS   7 -13.118   3.532  -0.625
   46   1HB   LYS   7          HB3       LYS   7 -14.365   5.068   0.927
   47   2HB   LYS   7          HB2       LYS   7 -12.896   6.097   1.099
   48   1HG   LYS   7          HG3       LYS   7 -13.057   6.666  -1.331
   49   2HG   LYS   7          HG2       LYS   7 -14.456   5.554  -1.499
   50   1HD   LYS   7          HD3       LYS   7 -15.760   6.923   0.122
   51   2HD   LYS   7          HD2       LYS   7 -14.324   7.966   0.418
   52   1HE   LYS   7          HE3       LYS   7 -14.387   8.778  -1.948
   53   2HE   LYS   7          HE2       LYS   7 -15.823   7.721  -2.276
   54   1HZ   LYS   7          HZ1       LYS   7 -17.017   8.913  -0.568
   55   2HZ   LYS   7          HZ2       LYS   7 -15.673   9.903  -0.260
   56   3HZ   LYS   7          HZ3       LYS   7 -16.448   9.969  -1.769
   57    H    ASP   8           HN       ASP   8 -10.110   4.124   1.093
   58    HA   ASP   8           HA       ASP   8  -8.845   5.550  -1.140
   59   1HB   ASP   8          HB3       ASP   8  -7.947   4.749   1.699
   60   2HB   ASP   8          HB2       ASP   8  -6.877   5.624   0.538
   61    H    CYS   9           HN       CYS   9  -9.481   2.240  -0.552
   62    HA   CYS   9           HA       CYS   9  -6.853   1.537  -1.732
   63   1HB   CYS   9          HB3       CYS   9  -7.544   0.840   0.683
   64   2HB   CYS   9          HB2       CYS   9  -8.380  -0.509  -0.091
   65    H    ALA  10           HN       ALA  10  -9.864   1.968  -2.834
   66    HA   ALA  10           HA       ALA  10 -10.563  -0.208  -4.321
   67   1HB   ALA  10          HB1       ALA  10 -10.980   2.786  -4.918
   68   2HB   ALA  10          HB2       ALA  10 -11.959   1.422  -5.576
   69   3HB   ALA  10          HB3       ALA  10 -11.968   1.773  -3.817
   70    H    ASP  11           HN       ASP  11  -8.480   2.534  -5.281
   71    HA   ASP  11           HA       ASP  11  -7.833   1.467  -7.873
   72   1HB   ASP  11          HB2       ASP  11  -6.841   3.975  -6.424
   73   2HB   ASP  11          HB3       ASP  11  -6.482   3.554  -8.147
   74    HA   PRO  12           HA       PRO  12  -3.617   0.028  -6.138
   75   1HB   PRO  12          HB3       PRO  12  -3.312  -0.291  -3.336
   76   2HB   PRO  12          HB2       PRO  12  -2.801   1.167  -4.226
   77   1HG   PRO  12          HG3       PRO  12  -5.415   0.597  -2.848
   78   2HG   PRO  12          HG2       PRO  12  -4.404   2.061  -2.567
   79   1HD   PRO  12          HD2       PRO  12  -6.586   2.159  -4.188
   80   2HD   PRO  12          HD3       PRO  12  -5.049   2.944  -4.753
   81    H    CYS  13           HN       CYS  13  -6.771  -0.962  -4.375
   82    HA   CYS  13           HA       CYS  13  -5.925  -3.692  -4.490
   83   1HB   CYS  13          HB2       CYS  13  -7.350  -2.993  -2.620
   84   2HB   CYS  13          HB3       CYS  13  -8.739  -2.907  -3.719
   85    H    ARG  14           HN       ARG  14  -7.564  -1.622  -6.802
   86    HA   ARG  14           HA       ARG  14  -8.290  -3.624  -8.692
   87   1HB   ARG  14          HB3       ARG  14  -9.102  -1.185  -8.712
   88   2HB   ARG  14          HB2       ARG  14  -7.427  -0.653  -8.964
   89   1HG   ARG  14          HG3       ARG  14  -8.574  -0.403 -10.959
   90   2HG   ARG  14          HG2       ARG  14  -7.327  -1.687 -11.192
   91   1HD   ARG  14          HD2       ARG  14  -9.460  -2.305 -12.371
   92   2HD   ARG  14          HD3       ARG  14  -9.224  -3.426 -11.005
   93    HE   ARG  14           HE       ARG  14 -11.168  -2.475  -9.932
   94    HH1  ARG  14           HH1      ARG  14 -13.407  -0.240 -11.362
   95    HH1  ARG  14           HH1      ARG  14 -13.143  -1.356 -10.055
   96    HH2  ARG  14           HH2      ARG  14 -11.825   0.224 -12.789
   97    HH2  ARG  14           HH2      ARG  14 -10.261  -0.523 -12.649
   98    H    LYS  15           HN       LYS  15  -5.233  -2.565  -7.645
   99    HA   LYS  15           HA       LYS  15  -3.875  -3.479 -10.050
  100   1HB   LYS  15          HB2       LYS  15  -2.854  -1.884  -7.618
  101   2HB   LYS  15          HB3       LYS  15  -1.806  -2.383  -8.967
  102   1HG   LYS  15          HG3       LYS  15  -4.216  -0.524  -9.121
  103   2HG   LYS  15          HG2       LYS  15  -2.485  -0.046  -9.174
  104   1HD   LYS  15          HD3       LYS  15  -2.347  -1.362 -11.393
  105   2HD   LYS  15          HD2       LYS  15  -4.126  -1.656 -11.220
  106   1HE   LYS  15          HE3       LYS  15  -4.556   0.803 -11.212
  107   2HE   LYS  15          HE2       LYS  15  -2.790   1.108 -11.507
  108   1HZ   LYS  15          HZ1       LYS  15  -4.073   1.120 -13.520
  109   2HZ   LYS  15          HZ2       LYS  15  -2.982  -0.182 -13.526
  110   3HZ   LYS  15          HZ3       LYS  15  -4.632  -0.459 -13.236
  111    H    GLU  16           HN       GLU  16  -3.837  -4.042  -6.432
  112    HA   GLU  16           HA       GLU  16  -1.996  -6.267  -6.656
  113   1HB   GLU  16          HB3       GLU  16  -2.092  -6.670  -4.216
  114   2HB   GLU  16          HB2       GLU  16  -1.761  -4.955  -4.532
  115   1HG   GLU  16          HG2       GLU  16  -4.245  -4.584  -4.259
  116   2HG   GLU  16          HG3       GLU  16  -4.474  -6.256  -3.646
  117    H    THR  17           HN       THR  17  -5.565  -6.111  -6.401
  118    HA   THR  17           HA       THR  17  -5.518  -9.069  -6.757
  119    HB   THR  17           HB       THR  17  -7.812  -9.322  -6.100
  120    HG1  THR  17           HG1      THR  17  -7.771  -6.717  -4.994
  121    H    GLY  18           HN       GLY  18  -7.236  -6.055  -7.637
  122   1HA   GLY  18          HA1       GLY  18  -7.601  -5.571 -10.014
  123   2HA   GLY  18          HA2       GLY  18  -8.138  -7.247 -10.207
  124    H    CYS  19           HN       CYS  19  -9.238  -6.911  -7.282
  125    HA   CYS  19           HA       CYS  19 -11.863  -5.796  -8.160
  126   1HB   CYS  19          HB2       CYS  19 -11.131  -7.834  -5.945
  127   2HB   CYS  19          HB3       CYS  19 -12.791  -7.257  -6.302
  128    HA   PRO  20           HA       PRO  20 -10.722  -2.650  -5.185
  129   1HB   PRO  20          HB2       PRO  20 -12.622  -0.796  -5.876
  130   2HB   PRO  20          HB3       PRO  20 -11.371  -1.286  -7.061
  131   1HG   PRO  20          HG2       PRO  20 -14.229  -2.335  -6.699
  132   2HG   PRO  20          HG3       PRO  20 -13.534  -1.640  -8.209
  133   1HD   PRO  20          HD2       PRO  20 -13.541  -4.388  -7.659
  134   2HD   PRO  20          HD3       PRO  20 -12.151  -3.620  -8.533
  135    H    TYR  21           HN       TYR  21 -11.884  -4.816  -4.088
  136    HA   TYR  21           HA       TYR  21 -14.193  -4.071  -2.336
  137   1HB   TYR  21          HB2       TYR  21 -13.112  -6.827  -3.354
  138   2HB   TYR  21          HB3       TYR  21 -14.307  -6.784  -2.081
  139    HD1  TYR  21           HD1      TYR  21 -15.826  -8.034  -3.013
  140    HD2  TYR  21           HD2      TYR  21 -14.593  -4.552  -5.225
  141    HE1  TYR  21           HE1      TYR  21 -17.598  -8.427  -4.642
  142    HE2  TYR  21           HE2      TYR  21 -16.328  -4.950  -6.860
  143    HH   TYR  21           HH       TYR  21 -18.460  -7.813  -6.646
  144    H    GLY  22           HN       GLY  22 -12.553  -2.849  -0.838
  145   1HA   GLY  22          HA1       GLY  22 -11.096  -4.893   0.815
  146   2HA   GLY  22          HA2       GLY  22 -10.285  -3.387   0.288
  147    H    LYS  23           HN       LYS  23 -10.590  -4.527   3.010
  148    HA   LYS  23           HA       LYS  23 -12.315  -2.510   4.288
  149   1HB   LYS  23          HB3       LYS  23 -11.593  -5.420   5.056
  150   2HB   LYS  23          HB2       LYS  23 -12.299  -4.242   6.218
  151   1HG   LYS  23          HG3       LYS  23 -14.347  -4.023   4.821
  152   2HG   LYS  23          HG2       LYS  23 -13.708  -5.252   3.677
  153   1HD   LYS  23          HD3       LYS  23 -15.254  -6.322   5.160
  154   2HD   LYS  23          HD2       LYS  23 -13.609  -6.933   5.537
  155   1HE   LYS  23          HE3       LYS  23 -13.551  -5.467   7.602
  156   2HE   LYS  23          HE2       LYS  23 -15.152  -4.763   7.142
  157   1HZ   LYS  23          HZ1       LYS  23 -14.606  -7.615   7.770
  158   2HZ   LYS  23          HZ2       LYS  23 -15.349  -6.475   8.786
  159   3HZ   LYS  23          HZ3       LYS  23 -16.111  -6.952   7.345
  160    H    CYS  24           HN       CYS  24 -11.331  -1.436   6.061
  161    HA   CYS  24           HA       CYS  24  -8.392  -1.507   6.078
  162   1HB   CYS  24          HB3       CYS  24  -9.867   0.553   5.364
  163   2HB   CYS  24          HB2       CYS  24 -10.148   0.816   7.088
  164    H    MET  25           HN       MET  25  -7.601  -2.738   7.667
  165    HA   MET  25           HA       MET  25  -8.514  -2.342  10.456
  166   1HB   MET  25          HB2       MET  25  -7.972  -5.062   9.055
  167   2HB   MET  25          HB3       MET  25  -8.033  -4.860  10.835
  168   1HG   MET  25          HG2       MET  25 -10.349  -4.225   8.944
  169   2HG   MET  25          HG3       MET  25 -10.121  -5.785   9.774
  170   1HE   MET  25          HE1       MET  25  -9.279  -5.427  12.645
  171   2HE   MET  25          HE2       MET  25 -10.879  -5.258  13.440
  172   3HE   MET  25          HE3       MET  25 -10.685  -6.372  12.048
  173    H    ASN  26           HN       ASN  26  -6.713  -1.725  11.634
  174    HA   ASN  26           HA       ASN  26  -4.678  -0.944  12.011
  175   1HB   ASN  26          HB2       ASN  26  -4.022  -3.822  11.150
  176   2HB   ASN  26          HB3       ASN  26  -2.723  -2.745  11.783
  177   1HD2  ASN  26          HD2       ASN  26  -2.913  -1.846  13.889
  178   2HD2  ASN  26          HD2       ASN  26  -4.070  -2.459  15.044
  179    H    ARG  27           HN       ARG  27  -5.587   0.069   9.743
  180    HA   ARG  27           HA       ARG  27  -5.335   1.156   7.918
  181   1HB   ARG  27          HB2       ARG  27  -3.378   2.635   7.573
  182   2HB   ARG  27          HB3       ARG  27  -4.321   2.826   9.059
  183   1HG   ARG  27          HG3       ARG  27  -1.881   1.053   9.142
  184   2HG   ARG  27          HG2       ARG  27  -1.659   2.833   9.025
  185   1HD   ARG  27          HD2       ARG  27  -2.933   3.205  11.145
  186   2HD   ARG  27          HD3       ARG  27  -3.278   1.433  11.286
  187    HE   ARG  27           HE       ARG  27  -0.445   2.424  10.991
  188   1HH1  ARG  27          HH1       ARG  27  -2.806   1.041  13.060
  189   2HH1  ARG  27          HH1       ARG  27  -1.641   0.492  14.244
  190   1HH2  ARG  27          HH2       ARG  27   1.034   1.605  12.362
  191   2HH2  ARG  27          HH2       ARG  27   0.554   0.586  13.687
  192    H    LYS  28           HN       LYS  28  -4.809  -1.658   7.667
  193    HA   LYS  28           HA       LYS  28  -3.399  -1.720   5.060
  194   1HB   LYS  28          HB2       LYS  28  -3.776  -3.934   7.206
  195   2HB   LYS  28          HB3       LYS  28  -3.204  -4.278   5.567
  196   1HG   LYS  28          HG3       LYS  28  -1.769  -2.432   7.549
  197   2HG   LYS  28          HG2       LYS  28  -1.396  -4.153   7.212
  198   1HD   LYS  28          HD3       LYS  28  -1.160  -1.862   5.143
  199   2HD   LYS  28          HD2       LYS  28   0.175  -2.691   6.008
  200   1HE   LYS  28          HE3       LYS  28  -0.446  -4.867   4.883
  201   2HE   LYS  28          HE2       LYS  28  -1.768  -4.015   3.988
  202   1HZ   LYS  28          HZ1       LYS  28  -0.136  -2.608   2.968
  203   2HZ   LYS  28          HZ2       LYS  28   1.124  -3.392   3.795
  204   3HZ   LYS  28          HZ3       LYS  28   0.186  -4.248   2.666
  205    H    CYS  29           HN       CYS  29  -4.372  -2.560   3.277
  206    HA   CYS  29           HA       CYS  29  -7.239  -2.921   3.390
  207   1HB   CYS  29          HB3       CYS  29  -5.871  -3.211   0.688
  208   2HB   CYS  29          HB2       CYS  29  -7.370  -2.476   1.242
  209    H    LYS  30           HN       LYS  30  -7.851  -4.778   4.124
  210    HA   LYS  30           HA       LYS  30  -6.750  -7.356   3.299
  211   1HB   LYS  30          HB3       LYS  30  -8.989  -6.629   5.305
  212   2HB   LYS  30          HB2       LYS  30  -8.231  -8.243   5.101
  213   1HG   LYS  30          HG2       LYS  30  -6.809  -5.678   6.095
  214   2HG   LYS  30          HG3       LYS  30  -7.440  -6.986   7.134
  215   1HD   LYS  30          HD3       LYS  30  -5.261  -7.429   4.988
  216   2HD   LYS  30          HD2       LYS  30  -4.903  -6.966   6.676
  217   1HE   LYS  30          HE2       LYS  30  -6.447  -9.542   5.960
  218   2HE   LYS  30          HE3       LYS  30  -4.666  -9.429   6.256
  219   1HZ   LYS  30          HZ1       LYS  30  -5.858 -10.078   8.216
  220   2HZ   LYS  30          HZ2       LYS  30  -5.114  -8.568   8.442
  221   3HZ   LYS  30          HZ3       LYS  30  -6.791  -8.660   8.184
  222    H    CYS  31           HN       CYS  31  -7.425  -7.851   1.243
  223    HA   CYS  31           HA       CYS  31  -9.897  -6.648   0.289
  224   1HB   CYS  31          HB3       CYS  31  -7.440  -6.316  -0.636
  225   2HB   CYS  31          HB2       CYS  31  -7.772  -7.807  -1.527
  226    H    ASN  32           HN       ASN  32 -11.454  -7.552  -0.987
  227    HA   ASN  32           HA       ASN  32 -11.797 -10.507  -0.931
  228   1HB   ASN  32          HB3       ASN  32 -13.698  -8.111  -0.712
  229   2HB   ASN  32          HB2       ASN  32 -14.359  -9.464  -1.634
  230   1HD2  ASN  32          HD2       ASN  32 -15.397 -11.133  -0.393
  231   2HD2  ASN  32          HD2       ASN  32 -15.173 -11.168   1.347
  232    H    ARG  33           HN       ARG  33 -13.044 -11.333  -2.542
  233    HA   ARG  33           HA       ARG  33 -11.867 -11.099  -5.102
  234   1HB   ARG  33          HB3       ARG  33 -13.421 -13.417  -4.928
  235   2HB   ARG  33          HB2       ARG  33 -11.811 -13.219  -4.225
  236   1HG   ARG  33          HG3       ARG  33 -13.175 -14.381  -2.757
  237   2HG   ARG  33          HG2       ARG  33 -12.911 -12.851  -1.924
  238   1HD   ARG  33          HD2       ARG  33 -15.468 -13.817  -3.411
  239   2HD   ARG  33          HD3       ARG  33 -15.164 -13.826  -1.619
  240    HE   ARG  33           HE       ARG  33 -15.092 -11.155  -3.055
  241   1HH1  ARG  33          HH1       ARG  33 -17.235 -13.353  -1.340
  242   2HH1  ARG  33          HH1       ARG  33 -18.575 -12.288  -1.587
  243   1HH2  ARG  33          HH2       ARG  33 -16.720 -10.065  -3.459
  244   2HH2  ARG  33          HH2       ARG  33 -18.229 -10.304  -2.590
  245    H    CYS  34           HN       CYS  34 -13.110 -11.179  -7.146
  246    HA   CYS  34           HA       CYS  34 -15.905 -10.772  -7.167
  247   1HB   CYS  34          HB3       CYS  34 -15.997  -8.642  -8.253
  248   2HB   CYS  34          HB2       CYS  34 -14.973  -8.379  -6.818
  249   1HN   NH2  35          HT1       CYS  34 -16.537 -10.959  -9.647
  250   2HN   NH2  35          HT2       CYS  34 -15.382 -11.799 -10.654