*HEADER    MEMBRANE PROTEIN                        08-AUG-07   2JTW              
*TITLE     SOLUTION STRUCTURE OF TM7 BOUND TO DPC MICELLES                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRANSMEMBRANE HELIX 7 OF YEAST VATPASE;                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    PEPTIDE, MICELLE-BOUND, TRANSMEMBRANE, MEMBRANE PROTEIN               
*EXPDTA    NMR, 16 STRUCTURES                                                    
*AUTHOR    K.ZANGGER, M.RESPONDEK, T.MADL                                        
*REVDAT   1   26-AUG-08 2JTW    0                                                


# NOE

assign (resid 1 and name HA) (resid 1 and name HB#) 2.946 1.146 0.0 !   tocsy3.308
assign (resid 1 and name HA) (resid 1 and name HG#) 3.159 1.359 0.0 !   tocsy3.309
assign (resid 1 and name HA) (resid 1 and name HG#) 2.842 1.042 0.0 !   tocsy3.310
assign (resid 1 and name HB#) (resid 1 and name HG#) 2.426 0.626 0.0 !   tocsy3.311
assign (resid 1 and name HB#) (resid 1 and name HG#) 2.603 0.803 0.0 !   tocsy3.312
assign (resid 2 and name HA) (resid 2 and name HB#) 3.195 1.395 0.0 !   tocsy3.225
assign (resid 2 and name HA) (resid 2 and name HB#) 2.507 0.707 0.0 !   tocsy3.226
assign (resid 2 and name HE#) (resid 2 and name HB#) 3.823 2.023 0.0 !   tocsy3.238
assign (resid 2 and name HE#) (resid 2 and name HB#) 3.353 1.553 0.0 !   tocsy3.240
assign (resid 2 and name HA) (resid 2 and name HG#) 2.736 0.936 0.0 !   tocsy3.224
assign (resid 2 and name HG#) (resid 2 and name HB#) 3.345 1.545 0.0 !   tocsy3.233
assign (resid 2 and name HG#) (resid 2 and name HB#) 2.769 0.969 0.0 !   tocsy3.234
assign (resid 2 and name HE#) (resid 2 and name HG#) 2.791 0.991 0.0 !   tocsy3.236
assign (resid 2 and name HA) (resid 2 and name HN) 3.267 1.467 0.0 !   tocsy3.9
assign (resid 2 and name HB#) (resid 2 and name HN) 3.346 1.546 0.0 !   tocsy3.7
assign (resid 2 and name HB#) (resid 2 and name HN) 3.424 1.624 0.0 !   tocsy3.8
assign (resid 2 and name HG#) (resid 2 and name HN) 3.353 1.553 0.0 !   tocsy3.6
assign (resid 3 and name HB#) (resid 3 and name HA) 2.612 0.812 0.0 !   tocsy3.209
assign (resid 3 and name HB#) (resid 3 and name HA) 2.888 1.088 0.0 !   tocsy3.210
assign (resid 3 and name HA) (resid 3 and name HN) 4.241 2.441 0.0 !   tocsy3.4
assign (resid 3 and name HB#) (resid 3 and name HN) 4.127 2.327 0.0 !   tocsy3.5
assign (resid 3 and name HB#) (resid 3 and name HN) 3.846 2.046 0.0 !   tocsy3.32
assign (resid 2 and name HA) (resid 4 and name HD2) 4.898 3.098 0.0 !   tocsy3.280
assign (resid 2 and name HA) (resid 4 and name HE1) 5.005 3.205 0.0 !   tocsy3.279
assign (resid 4 and name HB#) (resid 4 and name HD2) 3.936 2.136 0.0 !   tocsy3.55
assign (resid 4 and name HB#) (resid 4 and name HD2) 3.996 2.196 0.0 !   tocsy3.56
assign (resid 4 and name HD2) (resid 4 and name HE1) 5.913 4.113 0.0 !   tocsy3.43
assign (resid 4 and name HA) (resid 4 and name HN) 4.003 2.203 0.0 !   tocsy3.49
assign (resid 4 and name HB#) (resid 4 and name HN) 5.655 3.855 0.0 !   tocsy3.50
assign (resid 4 and name HB#) (resid 4 and name HN) 5.321 3.521 0.0 !   tocsy3.51
assign (resid 4 and name HB#) (resid 5 and name HN) 4.258 2.458 0.0 !   tocsy3.123
assign (resid 4 and name HB#) (resid 5 and name HN) 4.157 2.357 0.0 !   tocsy3.124
assign (resid 5 and name HB) (resid 5 and name HA) 3.271 1.471 0.0 !   tocsy3.63
assign (resid 5 and name HA) (resid 5 and name HG2#) 2.546 0.746 0.0 !   tocsy3.250
assign (resid 5 and name HB) (resid 5 and name HG2#) 2.484 0.684 0.0 !   tocsy3.249
assign (resid 5 and name HA) (resid 5 and name HN) 3.435 1.635 0.0 !   tocsy3.31
assign (resid 5 and name HB) (resid 5 and name HN) 3.421 1.621 0.0 !   tocsy3.30
assign (resid 5 and name HG2#) (resid 5 and name HN) 3.467 1.667 0.0 !   tocsy3.248
assign (resid 3 and name HA) (resid 6 and name HN) 4.421 2.621 0.0 !   tocsy3.122
assign (resid 3 and name HB#) (resid 6 and name HN) 5.008 3.208 0.0 !   tocsy3.127
assign (resid 5 and name HB) (resid 6 and name HN) 3.539 1.739 0.0 !   tocsy3.89
assign (resid 5 and name HG2#) (resid 6 and name HN) 3.906 2.106 0.0 !   tocsy3.251
assign (resid 5 and name HN) (resid 6 and name HN) 4.394 2.594 0.0 !   tocsy3.85
assign (resid 6 and name HA) (resid 6 and name HB#) 2.820 1.02 0.0 !   tocsy3.117
assign (resid 6 and name HA) (resid 6 and name HN) 3.040 1.24 0.0 !   tocsy3.2
assign (resid 6 and name HB#) (resid 6 and name HN) 3.354 1.554 0.0 !   tocsy3.3
assign (resid 7 and name HA) (resid 4 and name HD2) 4.717 2.917 0.0 !   tocsy3.281
assign (resid 4 and name HA) (resid 7 and name HN) 4.032 2.232 0.0 !   tocsy3.393
assign (resid 5 and name HG2#) (resid 7 and name HN) 4.497 2.697 0.0 !   tocsy3.384
assign (resid 6 and name HA) (resid 7 and name HN) 3.224 1.424 0.0 !   tocsy3.114
assign (resid 7 and name HN) (resid 6 and name HN) 3.810 2.01 0.0 !   tocsy3.86
assign (resid 7 and name HA) (resid 7 and name HB#) 2.993 1.193 0.0 !   tocsy3.47
assign (resid 7 and name HA) (resid 7 and name HB#) 2.661 0.861 0.0 !   tocsy3.62
assign (resid 7 and name HB#) (resid 7 and name HN) 2.720 0.92 0.0 !   tocsy3.48
assign (resid 4 and name HB#) (resid 8 and name HD#) 4.111 2.311 0.0 !   tocsy3.287
assign (resid 4 and name HB#) (resid 8 and name HD#) 3.669 1.869 0.0 !   tocsy3.288
assign (resid 4 and name HB#) (resid 8 and name HE#) 4.740 2.94 0.0 !   tocsy3.285
assign (resid 4 and name HB#) (resid 8 and name HE#) 4.274 2.474 0.0 !   tocsy3.286
assign (resid 8 and name HB#) (resid 5 and name HA) 4.285 2.485 0.0 !   tocsy3.214
assign (resid 8 and name HB#) (resid 5 and name HA) 5.157 3.357 0.0 !   tocsy3.215
assign (resid 5 and name HA) (resid 8 and name HD#) 3.636 1.836 0.0 !   tocsy3.147
assign (resid 5 and name HG2#) (resid 8 and name HD#) 3.826 2.026 0.0 !   tocsy3.298
assign (resid 5 and name HA) (resid 8 and name HE#) 4.499 2.699 0.0 !   tocsy3.152
assign (resid 5 and name HG2#) (resid 8 and name HE#) 4.202 2.402 0.0 !   tocsy3.332
assign (resid 6 and name HB#) (resid 8 and name HD#) 6.000 4.2 0.0 !   tocsy3.104
assign (resid 6 and name HB#) (resid 8 and name HE#) 6.000 4.2 0.0 !   tocsy3.105
assign (resid 8 and name HA) (resid 8 and name HB#) 3.258 1.458 0.0 !   tocsy3.138
assign (resid 8 and name HA) (resid 8 and name HB#) 2.891 1.091 0.0 !   tocsy3.207
assign (resid 8 and name HA) (resid 8 and name HD#) 3.532 1.732 0.0 !   tocsy3.83
assign (resid 8 and name HD#) (resid 8 and name HA) 3.756 1.956 0.0 !   tocsy3.259
assign (resid 8 and name HB#) (resid 8 and name HD#) 2.876 1.076 0.0 !   tocsy3.149
assign (resid 8 and name HB#) (resid 8 and name HD#) 2.825 1.025 0.0 !   tocsy3.150
!assign (resid 8 and name HA) (resid 8 and name HE#) 4.596 2.796 0.0 !   tocsy3.103
assign (resid 8 and name HB#) (resid 8 and name HE#) 4.271 2.471 0.0 !   tocsy3.153
assign (resid 8 and name HB#) (resid 8 and name HE#) 3.976 2.176 0.0 !   tocsy3.154
assign (resid 8 and name HE#) (resid 8 and name HD#) 2.331 0.531 0.0 !   tocsy3.84
assign (resid 8 and name HA) (resid 8 and name HN) 3.091 1.291 0.0 !   tocsy3.107
assign (resid 8 and name HB#) (resid 8 and name HN) 3.454 1.654 0.0 !   tocsy3.113
assign (resid 8 and name HB#) (resid 8 and name HN) 3.291 1.491 0.0 !   tocsy3.148
assign (resid 6 and name HA) (resid 9 and name HB#) 4.149 2.349 0.0 !   tocsy3.387
assign (resid 6 and name HA) (resid 9 and name HN) 3.574 1.774 0.0 !   tocsy3.392
assign (resid 9 and name HA) (resid 8 and name HD#) 3.590 1.79 0.0 !   tocsy3.143
assign (resid 9 and name HA) (resid 8 and name HE#) 6.000 4.2 0.0 !   tocsy3.151
assign (resid 9 and name HB#) (resid 8 and name HD#) 4.201 2.401 0.0 !   tocsy3.367
assign (resid 9 and name HB#) (resid 8 and name HE#) 4.955 3.155 0.0 !   tocsy3.369
assign (resid 9 and name HD##) (resid 8 and name HD#) 4.487 2.687 0.0 !   tocsy3.352
assign (resid 9 and name HD##) (resid 8 and name HE#) 5.106 3.306 0.0 !   tocsy3.354
assign (resid 8 and name HB#) (resid 9 and name HN) 3.575 1.775 0.0 !   tocsy3.196
assign (resid 8 and name HB#) (resid 9 and name HN) 3.509 1.709 0.0 !   tocsy3.197
assign (resid 8 and name HD#) (resid 9 and name HN) 4.103 2.303 0.0 !   tocsy3.260
assign (resid 9 and name HA) (resid 9 and name HB#) 3.378 1.578 0.0 !   tocsy3.313
assign (resid 9 and name HA) (resid 9 and name HD##) 2.733 0.933 0.0 !   tocsy3.315
assign (resid 9 and name HA) (resid 9 and name HG) 3.663 1.863 0.0 !   tocsy3.314
assign (resid 9 and name HA) (resid 9 and name HN) 3.260 1.46 0.0 !   tocsy3.140
assign (resid 9 and name HB#) (resid 9 and name HN) 2.813 1.013 0.0 !   tocsy3.357
assign (resid 9 and name HD##) (resid 9 and name HN) 3.936 2.136 0.0 !   tocsy3.350
assign (resid 9 and name HG) (resid 9 and name HN) 3.564 1.764 0.0 !   tocsy3.362
assign (resid 7 and name HA) (resid 10 and name HB#) 3.756 1.956 0.0 !   tocsy3.380
assign (resid 7 and name HA) (resid 10 and name HD#) 3.114 1.314 0.0 !   tocsy3.381
assign (resid 7 and name HB#) (resid 10 and name HD#) 3.943 2.143 0.0 !   tocsy3.399
assign (resid 7 and name HA) (resid 10 and name HE) 5.137 3.337 0.0 !   tocsy3.398
assign (resid 10 and name HA) (resid 8 and name HD#) 5.886 4.086 0.0 !   tocsy3.270
assign (resid 9 and name HG) (resid 10 and name HB#) 3.134 1.334 0.0 !   tocsy3.370
assign (resid 10 and name HA) (resid 10 and name HB#) 3.474 1.674 0.0 !   tocsy3.374
assign (resid 10 and name HA) (resid 10 and name HB#) 3.306 1.506 0.0 !   tocsy3.375
assign (resid 10 and name HA) (resid 10 and name HD#) 3.288 1.488 0.0 !   tocsy3.212
assign (resid 10 and name HD#) (resid 10 and name HB#) 3.288 1.488 0.0 !   tocsy3.372
assign (resid 10 and name HD#) (resid 10 and name HB#) 2.994 1.194 0.0 !   tocsy3.373
assign (resid 10 and name HA) (resid 10 and name HE) 5.518 3.718 0.0 !   tocsy3.382
assign (resid 10 and name HB#) (resid 10 and name HE) 4.342 2.542 0.0 !   tocsy3.360
assign (resid 10 and name HB#) (resid 10 and name HE) 4.695 2.895 0.0 !   tocsy3.361
assign (resid 10 and name HD#) (resid 10 and name HE) 2.883 1.083 0.0 !   tocsy3.135
assign (resid 10 and name HH##) (resid 10 and name HE) 3.188 1.388 0.0 !   tocsy3.241
assign (resid 10 and name HA) (resid 10 and name HN) 2.990 1.19 0.0 !   tocsy3.189
assign (resid 10 and name HB#) (resid 10 and name HN) 2.816 1.016 0.0 !   tocsy3.356
assign (resid 8 and name HA) (resid 11 and name HB#) 3.361 1.561 0.0 !   tocsy3.388
assign (resid 8 and name HA) (resid 11 and name HB#) 3.379 1.579 0.0 !   tocsy3.389
assign (resid 11 and name HB#) (resid 8 and name HD#) 3.471 1.671 0.0 !   tocsy3.295
assign (resid 11 and name HB#) (resid 8 and name HD#) 3.949 2.149 0.0 !   tocsy3.335
assign (resid 11 and name HB#) (resid 8 and name HE#) 5.086 3.286 0.0 !   tocsy3.365
assign (resid 11 and name HB#) (resid 8 and name HE#) 4.628 2.828 0.0 !   tocsy3.366
assign (resid 11 and name HD##) (resid 8 and name HD#) 3.529 1.729 0.0 !   tocsy3.346
assign (resid 11 and name HD##) (resid 8 and name HE#) 4.532 2.732 0.0 !   tocsy3.345
assign (resid 11 and name HG) (resid 8 and name HD#) 4.598 2.798 0.0 !   tocsy3.333
assign (resid 8 and name HA) (resid 11 and name HN) 3.762 1.962 0.0 !   tocsy3.95
assign (resid 9 and name HA) (resid 11 and name HN) 5.270 3.47 0.0 !   tocsy3.383
assign (resid 10 and name HA) (resid 11 and name HB#) 4.906 3.106 0.0 !   tocsy3.378
assign (resid 11 and name HB#) (resid 10 and name HB#) 4.336 2.536 0.0 !   tocsy3.386
assign (resid 10 and name HD#) (resid 11 and name HB#) 3.514 1.714 0.0 !   tocsy3.379
assign (resid 11 and name HB#) (resid 10 and name HE) 3.620 1.82 0.0 !   tocsy3.307
assign (resid 11 and name HD##) (resid 10 and name HE) 4.553 2.753 0.0 !   tocsy3.342
assign (resid 10 and name HA) (resid 11 and name HN) 4.009 2.209 0.0 !   tocsy3.192
assign (resid 10 and name HB#) (resid 11 and name HN) 4.117 2.317 0.0 !   tocsy3.358
assign (resid 10 and name HB#) (resid 11 and name HN) 3.736 1.936 0.0 !   tocsy3.359
assign (resid 11 and name HN) (resid 10 and name HN) 3.039 1.239 0.0 !   tocsy3.97
assign (resid 11 and name HA) (resid 11 and name HB#) 2.866 1.066 0.0 !   tocsy3.302
assign (resid 11 and name HA) (resid 11 and name HB#) 2.723 0.923 0.0 !   tocsy3.304
assign (resid 11 and name HA) (resid 11 and name HD##) 3.677 1.877 0.0 !   tocsy3.316
assign (resid 11 and name HD##) (resid 11 and name HB#) 2.655 0.855 0.0 !   tocsy3.400
assign (resid 11 and name HD##) (resid 11 and name HB#) 2.792 0.992 0.0 !   tocsy3.401
assign (resid 11 and name HA) (resid 11 and name HG) 3.288 1.488 0.0 !   tocsy3.303
assign (resid 11 and name HG) (resid 11 and name HB#) 2.475 0.675 0.0 !   tocsy3.229
assign (resid 11 and name HA) (resid 11 and name HN) 3.435 1.635 0.0 !   tocsy3.94
assign (resid 11 and name HB#) (resid 11 and name HN) 3.069 1.269 0.0 !   tocsy3.184
assign (resid 11 and name HB#) (resid 11 and name HN) 3.232 1.432 0.0 !   tocsy3.306
assign (resid 11 and name HD##) (resid 11 and name HN) 3.611 1.811 0.0 !   tocsy3.134
assign (resid 11 and name HG) (resid 11 and name HN) 4.451 2.651 0.0 !   tocsy3.305
assign (resid 12 and name HD1) (resid 8 and name HE#) 4.573 2.773 0.0 !   tocsy3.269
!assign (resid 8 and name HB#) (resid 12 and name HZ3) 6.000 4.2 0.0 !   tocsy3.289
assign (resid 9 and name HA) (resid 12 and name HB#) 3.809 2.009 0.0 !   tocsy3.203
assign (resid 9 and name HA) (resid 12 and name HB#) 4.039 2.239 0.0 !   tocsy3.204
assign (resid 9 and name HA) (resid 12 and name HD1) 6.000 4.2 0.0 !   tocsy3.142
!assign (resid 9 and name HB#) (resid 12 and name HD1) 4.370 2.57 0.0 !   tocsy3.364
assign (resid 9 and name HA) (resid 12 and name HE3) 3.907 2.107 0.0 !   tocsy3.141
assign (resid 9 and name HD##) (resid 12 and name HE3) 4.596 2.796 0.0 !   tocsy3.351
assign (resid 9 and name HA) (resid 12 and name HN) 3.831 2.031 0.0 !   tocsy3.144
assign (resid 9 and name HA) (resid 12 and name HZ3) 5.345 3.545 0.0 !   tocsy3.275
assign (resid 9 and name HD##) (resid 12 and name HZ3) 6.000 4.2 0.0 !   tocsy3.353
assign (resid 10 and name HN) (resid 12 and name HN) 4.734 2.934 0.0 !   tocsy3.263
assign (resid 10 and name HD#) (resid 12 and name HZ3) 6.000 4.2 0.0 !   tocsy3.290
!assign (resid 11 and name HB#) (resid 12 and name HD1) 5.082 3.282 0.0 !   tocsy3.403
assign (resid 11 and name HG) (resid 12 and name HD1) 6.000 4.2 0.0 !   tocsy3.402
assign (resid 11 and name HB#) (resid 12 and name HE3) 4.597 2.797 0.0 !   tocsy3.363
assign (resid 11 and name HB#) (resid 12 and name HE3) 4.715 2.915 0.0 !   tocsy3.368
assign (resid 11 and name HD##) (resid 12 and name HE3) 4.587 2.787 0.0 !   tocsy3.347
assign (resid 11 and name HA) (resid 12 and name HN) 3.897 2.097 0.0 !   tocsy3.120
assign (resid 11 and name HB#) (resid 12 and name HN) 3.231 1.431 0.0 !   tocsy3.185
assign (resid 11 and name HB#) (resid 12 and name HN) 3.486 1.686 0.0 !   tocsy3.334
assign (resid 11 and name HD##) (resid 12 and name HN) 4.133 2.333 0.0 !   tocsy3.296
assign (resid 11 and name HG) (resid 12 and name HN) 4.447 2.647 0.0 !   tocsy3.336
assign (resid 11 and name HN) (resid 12 and name HN) 3.597 1.797 0.0 !   tocsy3.98
assign (resid 11 and name HD##) (resid 12 and name HZ3) 6.000 4.2 0.0 !   tocsy3.349
assign (resid 12 and name HA) (resid 12 and name HB#) 3.422 1.622 0.0 !   tocsy3.136
assign (resid 12 and name HA) (resid 12 and name HB#) 3.459 1.659 0.0 !   tocsy3.137
assign (resid 12 and name HA) (resid 12 and name HD1) 4.012 2.212 0.0 !   tocsy3.119
assign (resid 12 and name HB#) (resid 12 and name HD1) 3.645 1.845 0.0 !   tocsy3.108
assign (resid 12 and name HB#) (resid 12 and name HD1) 3.529 1.729 0.0 !   tocsy3.109
assign (resid 12 and name HD1) (resid 12 and name HE1) 2.952 1.152 0.0 !   tocsy3.0
assign (resid 12 and name HA) (resid 12 and name HE3) 3.949 2.149 0.0 !   tocsy3.93
assign (resid 12 and name HB#) (resid 12 and name HE3) 3.340 1.54 0.0 !   tocsy3.111
assign (resid 12 and name HB#) (resid 12 and name HE3) 3.661 1.861 0.0 !   tocsy3.112
assign (resid 12 and name HE3) (resid 12 and name HD1) 5.433 3.633 0.0 !   tocsy3.267
assign (resid 12 and name HH2) (resid 12 and name HE3) 4.433 2.633 0.0 !   tocsy3.38
assign (resid 12 and name HA) (resid 12 and name HN) 3.236 1.436 0.0 !   tocsy3.96
assign (resid 12 and name HB#) (resid 12 and name HN) 3.244 1.444 0.0 !   tocsy3.82
assign (resid 12 and name HB#) (resid 12 and name HN) 3.275 1.475 0.0 !   tocsy3.110
assign (resid 12 and name HD1) (resid 12 and name HN) 5.528 3.728 0.0 !   tocsy3.258
assign (resid 12 and name HE3) (resid 12 and name HN) 4.484 2.684 0.0 !   tocsy3.188
assign (resid 12 and name HZ2) (resid 12 and name HD1) 5.710 3.91 0.0 !   tocsy3.268
assign (resid 12 and name HZ2) (resid 12 and name HE1) 3.651 1.851 0.0 !   tocsy3.88
assign (resid 12 and name HE3) (resid 12 and name HZ2) 6.000 4.2 0.0 !   tocsy3.40
assign (resid 12 and name HH2) (resid 12 and name HZ2) 2.721 0.921 0.0 !   tocsy3.41
!assign (resid 12 and name HA) (resid 12 and name HZ3) 6.000 4.2 0.0 !   tocsy3.257
assign (resid 12 and name HB#) (resid 12 and name HZ3) 5.898 4.098 0.0 !   tocsy3.256
assign (resid 12 and name HZ3) (resid 12 and name HE3) 2.783 0.983 0.0 !   tocsy3.39
assign (resid 12 and name HH2) (resid 12 and name HZ3) 2.574 0.774 0.0 !   tocsy3.255
assign (resid 12 and name HZ2) (resid 12 and name HZ3) 4.412 2.612 0.0 !   tocsy3.42
assign (resid 9 and name HA) (resid 13 and name HN) 4.324 2.524 0.0 !   tocsy3.145
assign (resid 9 and name HG) (resid 13 and name HN) 4.998 3.198 0.0 !   tocsy3.385
assign (resid 10 and name HA) (resid 13 and name HB#) 3.125 1.325 0.0 !   tocsy3.243
assign (resid 10 and name HA) (resid 13 and name HN) 3.761 1.961 0.0 !   tocsy3.118
assign (resid 11 and name HB#) (resid 13 and name HN) 4.117 2.317 0.0 !   tocsy3.297
assign (resid 13 and name HA) (resid 12 and name HD1) 5.659 3.859 0.0 !   tocsy3.183
assign (resid 13 and name HA) (resid 12 and name HE3) 4.867 3.067 0.0 !   tocsy3.91
assign (resid 13 and name HA) (resid 12 and name HN) 4.991 3.191 0.0 !   tocsy3.293
assign (resid 13 and name HA) (resid 12 and name HZ3) 4.912 3.112 0.0 !   tocsy3.276
assign (resid 13 and name HB#) (resid 12 and name HD1) 5.649 3.849 0.0 !   tocsy3.344
assign (resid 13 and name HB#) (resid 12 and name HE3) 3.815 2.015 0.0 !   tocsy3.218
assign (resid 13 and name HB#) (resid 12 and name HZ3) 4.721 2.921 0.0 !   tocsy3.343
assign (resid 12 and name HA) (resid 13 and name HN) 3.886 2.086 0.0 !   tocsy3.92
assign (resid 12 and name HB#) (resid 13 and name HN) 3.725 1.925 0.0 !   tocsy3.106
assign (resid 12 and name HB#) (resid 13 and name HN) 3.610 1.81 0.0 !   tocsy3.115
assign (resid 12 and name HD1) (resid 13 and name HN) 5.166 3.366 0.0 !   tocsy3.187
assign (resid 12 and name HE3) (resid 13 and name HN) 4.046 2.246 0.0 !   tocsy3.133
assign (resid 12 and name HN) (resid 13 and name HN) 3.429 1.629 0.0 !   tocsy3.87
assign (resid 13 and name HB#) (resid 13 and name HA) 2.853 1.053 0.0 !   tocsy3.79
assign (resid 13 and name HA) (resid 13 and name HB#) 2.760 0.96 0.0 !   tocsy3.116
assign (resid 13 and name HA) (resid 13 and name HN) 3.377 1.577 0.0 !   tocsy3.33
assign (resid 13 and name HB#) (resid 13 and name HN) 3.237 1.437 0.0 !   tocsy3.34
assign (resid 11 and name HA) (resid 14 and name HN) 4.287 2.487 0.0 !   tocsy3.282
assign (resid 14 and name HN) (resid 12 and name HN) 4.538 2.738 0.0 !   tocsy3.262
assign (resid 13 and name HA) (resid 14 and name HN) 4.039 2.239 0.0 !   tocsy3.90
assign (resid 13 and name HB#) (resid 14 and name HN) 3.014 1.214 0.0 !   tocsy3.299
assign (resid 13 and name HN) (resid 14 and name HN) 3.627 1.827 0.0 !   tocsy3.261
assign (resid 14 and name HD##) (resid 14 and name HN) 3.296 1.496 0.0 !   tocsy3.254
assign (resid 11 and name HA) (resid 15 and name HN) 4.311 2.511 0.0 !   tocsy3.166
assign (resid 12 and name HA) (resid 15 and name HB#) 3.822 2.022 0.0 !   tocsy3.390
assign (resid 12 and name HA) (resid 15 and name HB#) 3.322 1.522 0.0 !   tocsy3.391
assign (resid 15 and name HB#) (resid 12 and name HD1) 4.569 2.769 0.0 !   tocsy3.278
assign (resid 12 and name HA) (resid 15 and name HN) 3.351 1.551 0.0 !   tocsy3.283
assign (resid 15 and name HB#) (resid 13 and name HA) 4.325 2.525 0.0 !   tocsy3.213
assign (resid 13 and name HA) (resid 15 and name HN) 4.539 2.739 0.0 !   tocsy3.178
assign (resid 13 and name HN) (resid 15 and name HN) 4.669 2.869 0.0 !   tocsy3.266
assign (resid 15 and name HA) (resid 15 and name HB#) 2.853 1.053 0.0 !   tocsy3.211
assign (resid 15 and name HA) (resid 15 and name HN) 2.942 1.142 0.0 !   tocsy3.57
assign (resid 15 and name HB#) (resid 15 and name HN) 2.983 1.183 0.0 !   tocsy3.58
assign (resid 15 and name HB#) (resid 15 and name HN) 3.066 1.266 0.0 !   tocsy3.59
assign (resid 16 and name HA) (resid 12 and name HD1) 5.143 3.343 0.0 !   tocsy3.277
assign (resid 16 and name HD##) (resid 12 and name HD1) 6.000 4.2 0.0 !   tocsy3.326
assign (resid 16 and name HD##) (resid 12 and name HD1) 5.703 3.903 0.0 !   tocsy3.327
assign (resid 16 and name HD##) (resid 12 and name HE3) 6.000 4.2 0.0 !   tocsy3.322
assign (resid 16 and name HD##) (resid 12 and name HE3) 5.587 3.787 0.0 !   tocsy3.323
assign (resid 16 and name HD##) (resid 12 and name HH2) 4.702 2.902 0.0 !   tocsy3.328
assign (resid 16 and name HD##) (resid 12 and name HH2) 4.691 2.891 0.0 !   tocsy3.329
assign (resid 16 and name HD##) (resid 12 and name HZ3) 5.220 3.42 0.0 !   tocsy3.330
assign (resid 16 and name HD##) (resid 12 and name HZ3) 5.710 3.91 0.0 !   tocsy3.331
assign (resid 13 and name HA) (resid 16 and name HB#) 2.856 1.056 0.0 !   tocsy3.216
assign (resid 13 and name HA) (resid 16 and name HB#) 3.341 1.541 0.0 !   tocsy3.217
assign (resid 16 and name HB#) (resid 13 and name HN) 3.787 1.987 0.0 !   tocsy3.294
assign (resid 13 and name HA) (resid 16 and name HD##) 4.540 2.74 0.0 !   tocsy3.246
assign (resid 13 and name HA) (resid 16 and name HD##) 3.966 2.166 0.0 !   tocsy3.247
assign (resid 13 and name HA) (resid 16 and name HN) 4.028 2.228 0.0 !   tocsy3.177
assign (resid 16 and name HD##) (resid 14 and name HN) 5.262 3.462 0.0 !   tocsy3.318
assign (resid 16 and name HD##) (resid 14 and name HN) 5.361 3.561 0.0 !   tocsy3.319
assign (resid 15 and name HA) (resid 16 and name HN) 3.685 1.885 0.0 !   tocsy3.167
assign (resid 15 and name HB#) (resid 16 and name HN) 3.847 2.047 0.0 !   tocsy3.168
assign (resid 15 and name HB#) (resid 16 and name HN) 3.646 1.846 0.0 !   tocsy3.169
assign (resid 15 and name HN) (resid 16 and name HN) 3.824 2.024 0.0 !   tocsy3.172
assign (resid 16 and name HA) (resid 16 and name HB#) 3.056 1.256 0.0 !   tocsy3.222
assign (resid 16 and name HA) (resid 16 and name HB#) 2.648 0.848 0.0 !   tocsy3.223
assign (resid 16 and name HA) (resid 16 and name HD##) 3.271 1.471 0.0 !   tocsy3.220
assign (resid 16 and name HA) (resid 16 and name HD##) 3.816 2.016 0.0 !   tocsy3.221
assign (resid 16 and name HB#) (resid 16 and name HD##) 2.869 1.069 0.0 !   tocsy3.158
assign (resid 16 and name HB#) (resid 16 and name HD##) 3.448 1.648 0.0 !   tocsy3.159
assign (resid 16 and name HB#) (resid 16 and name HD##) 2.968 1.168 0.0 !   tocsy3.161
assign (resid 16 and name HB#) (resid 16 and name HD##) 3.450 1.65 0.0 !   tocsy3.162
assign (resid 16 and name HA) (resid 16 and name HN) 3.153 1.353 0.0 !   tocsy3.35
assign (resid 16 and name HB#) (resid 16 and name HN) 2.687 0.887 0.0 !   tocsy3.36
assign (resid 16 and name HB#) (resid 16 and name HN) 3.010 1.21 0.0 !   tocsy3.37
assign (resid 16 and name HD##) (resid 16 and name HN) 4.761 2.961 0.0 !   tocsy3.163
assign (resid 16 and name HD##) (resid 16 and name HN) 4.940 3.14 0.0 !   tocsy3.164
assign (resid 13 and name HA) (resid 17 and name HN) 4.434 2.634 0.0 !   tocsy3.179
assign (resid 16 and name HA) (resid 17 and name HN) 3.554 1.754 0.0 !   tocsy3.146
assign (resid 17 and name HN) (resid 16 and name HN) 3.572 1.772 0.0 !   tocsy3.173
assign (resid 17 and name HA) (resid 17 and name HB#) 2.639 0.839 0.0 !   tocsy3.131
assign (resid 17 and name HA) (resid 17 and name HN) 2.816 1.016 0.0 !   tocsy3.10
assign (resid 17 and name HB#) (resid 17 and name HN) 3.047 1.247 0.0 !   tocsy3.19
assign (resid 15 and name HA) (resid 18 and name HB#) 3.548 1.748 0.0 !   tocsy3.205
assign (resid 15 and name HA) (resid 18 and name HB#) 3.965 2.165 0.0 !   tocsy3.206
assign (resid 15 and name HB#) (resid 18 and name HD2) 4.883 3.083 0.0 !   tocsy3.284
assign (resid 18 and name HN) (resid 16 and name HN) 4.878 3.078 0.0 !   tocsy3.174
assign (resid 18 and name HA) (resid 17 and name HB#) 4.011 2.211 0.0 !   tocsy3.252
assign (resid 17 and name HA) (resid 18 and name HD2) 4.817 3.017 0.0 !   tocsy3.180
assign (resid 17 and name HB#) (resid 18 and name HD2) 4.543 2.743 0.0 !   tocsy3.157
assign (resid 18 and name HE1) (resid 17 and name HN) 5.539 3.739 0.0 !   tocsy3.265
assign (resid 17 and name HB#) (resid 18 and name HN) 3.661 1.861 0.0 !   tocsy3.300
assign (resid 18 and name HN) (resid 17 and name HN) 3.059 1.259 0.0 !   tocsy3.126
assign (resid 18 and name HA) (resid 18 and name HB#) 3.142 1.342 0.0 !   tocsy3.66
assign (resid 18 and name HA) (resid 18 and name HB#) 3.113 1.313 0.0 !   tocsy3.67
assign (resid 18 and name HA) (resid 18 and name HD2) 4.715 2.915 0.0 !   tocsy3.52
assign (resid 18 and name HB#) (resid 18 and name HD2) 3.594 1.794 0.0 !   tocsy3.53
assign (resid 18 and name HB#) (resid 18 and name HD2) 3.753 1.953 0.0 !   tocsy3.54
assign (resid 18 and name HD2) (resid 18 and name HE1) 5.119 3.319 0.0 !   tocsy3.1
assign (resid 18 and name HA) (resid 18 and name HN) 2.709 0.909 0.0 !   tocsy3.44
assign (resid 18 and name HB#) (resid 18 and name HN) 2.958 1.158 0.0 !   tocsy3.45
assign (resid 18 and name HB#) (resid 18 and name HN) 2.930 1.13 0.0 !   tocsy3.46
assign (resid 18 and name HD2) (resid 18 and name HN) 4.246 2.446 0.0 !   tocsy3.264
assign (resid 16 and name HA) (resid 19 and name HB#) 3.288 1.488 0.0 !   tocsy3.242
assign (resid 16 and name HA) (resid 19 and name HN) 4.450 2.65 0.0 !   tocsy3.394
assign (resid 16 and name HD##) (resid 19 and name HN) 4.962 3.162 0.0 !   tocsy3.320
assign (resid 16 and name HD##) (resid 19 and name HN) 5.553 3.753 0.0 !   tocsy3.321
assign (resid 19 and name HA) (resid 18 and name HD2) 4.952 3.152 0.0 !   tocsy3.273
assign (resid 18 and name HA) (resid 19 and name HB#) 5.096 3.296 0.0 !   tocsy3.317
assign (resid 19 and name HB#) (resid 18 and name HD2) 5.325 3.525 0.0 !   tocsy3.219
assign (resid 18 and name HA) (resid 19 and name HN) 3.412 1.612 0.0 !   tocsy3.193
assign (resid 18 and name HB#) (resid 19 and name HN) 3.272 1.472 0.0 !   tocsy3.181
assign (resid 18 and name HB#) (resid 19 and name HN) 3.304 1.504 0.0 !   tocsy3.182
assign (resid 18 and name HN) (resid 19 and name HN) 3.045 1.245 0.0 !   tocsy3.125
assign (resid 19 and name HA) (resid 19 and name HB#) 2.706 0.906 0.0 !   tocsy3.132
assign (resid 19 and name HA) (resid 19 and name HN) 3.060 1.26 0.0 !   tocsy3.18
assign (resid 19 and name HB#) (resid 19 and name HN) 2.905 1.105 0.0 !   tocsy3.78
assign (resid 16 and name HD##) (resid 20 and name HE2#) 4.563 2.763 0.0 !   tocsy3.324
assign (resid 16 and name HD##) (resid 20 and name HE2#) 4.298 2.498 0.0 !   tocsy3.325
assign (resid 16 and name HA) (resid 20 and name HN) 4.127 2.327 0.0 !   tocsy3.395
assign (resid 17 and name HA) (resid 20 and name HB#) 3.755 1.955 0.0 !   tocsy3.245
assign (resid 17 and name HA) (resid 20 and name HB#) 4.705 2.905 0.0 !   tocsy3.376
assign (resid 17 and name HA) (resid 20 and name HG#) 4.575 2.775 0.0 !   tocsy3.244
assign (resid 17 and name HA) (resid 20 and name HG#) 5.672 3.872 0.0 !   tocsy3.377
assign (resid 17 and name HA) (resid 20 and name HN) 3.431 1.631 0.0 !   tocsy3.128
assign (resid 20 and name HA) (resid 18 and name HD2) 4.601 2.801 0.0 !   tocsy3.272
assign (resid 19 and name HB#) (resid 20 and name HE2#) 5.149 3.349 0.0 !   tocsy3.155
assign (resid 19 and name HB#) (resid 20 and name HE2#) 4.303 2.503 0.0 !   tocsy3.156
assign (resid 19 and name HB#) (resid 20 and name HN) 3.328 1.528 0.0 !   tocsy3.176
assign (resid 20 and name HN) (resid 19 and name HN) 3.294 1.494 0.0 !   tocsy3.121
assign (resid 20 and name HA) (resid 20 and name HB#) 2.928 1.128 0.0 !   tocsy3.75
assign (resid 20 and name HA) (resid 20 and name HB#) 3.010 1.21 0.0 !   tocsy3.77
assign (resid 20 and name HA) (resid 20 and name HE2#) 4.163 2.363 0.0 !   tocsy3.271
assign (resid 20 and name HA) (resid 20 and name HG#) 3.841 2.041 0.0 !   tocsy3.74
assign (resid 20 and name HA) (resid 20 and name HG#) 3.747 1.947 0.0 !   tocsy3.76
assign (resid 20 and name HB#) (resid 20 and name HG#) 3.139 1.339 0.0 !   tocsy3.68
assign (resid 20 and name HB#) (resid 20 and name HG#) 3.066 1.266 0.0 !   tocsy3.69
assign (resid 20 and name HB#) (resid 20 and name HG#) 2.724 0.924 0.0 !   tocsy3.71
assign (resid 20 and name HB#) (resid 20 and name HG#) 3.084 1.284 0.0 !   tocsy3.72
assign (resid 20 and name HG#) (resid 20 and name HE2#) 3.389 1.589 0.0 !   tocsy3.99
assign (resid 20 and name HG#) (resid 20 and name HE2#) 3.748 1.948 0.0 !   tocsy3.100
assign (resid 20 and name HG#) (resid 20 and name HE2#) 4.300 2.5 0.0 !   tocsy3.101
assign (resid 20 and name HG#) (resid 20 and name HE2#) 4.241 2.441 0.0 !   tocsy3.102
assign (resid 20 and name HA) (resid 20 and name HN) 2.729 0.929 0.0 !   tocsy3.20
assign (resid 20 and name HB#) (resid 20 and name HN) 3.277 1.477 0.0 !   tocsy3.23
assign (resid 20 and name HB#) (resid 20 and name HN) 2.581 0.781 0.0 !   tocsy3.24
assign (resid 20 and name HG#) (resid 20 and name HN) 3.611 1.811 0.0 !   tocsy3.21
assign (resid 20 and name HG#) (resid 20 and name HN) 3.746 1.946 0.0 !   tocsy3.22
assign (resid 21 and name HD##) (resid 18 and name HD2) 4.634 2.834 0.0 !   tocsy3.348
assign (resid 18 and name HB#) (resid 21 and name HN) 4.434 2.634 0.0 !   tocsy3.194
assign (resid 18 and name HB#) (resid 21 and name HN) 4.980 3.18 0.0 !   tocsy3.195
assign (resid 21 and name HD##) (resid 19 and name HN) 3.677 1.877 0.0 !   tocsy3.340
assign (resid 19 and name HB#) (resid 21 and name HN) 4.987 3.187 0.0 !   tocsy3.338
assign (resid 21 and name HD##) (resid 20 and name HE2#) 4.921 3.121 0.0 !   tocsy3.337
assign (resid 21 and name HG) (resid 20 and name HN) 3.289 1.489 0.0 !   tocsy3.341
assign (resid 20 and name HA) (resid 21 and name HN) 3.440 1.64 0.0 !   tocsy3.191
assign (resid 20 and name HB#) (resid 21 and name HN) 3.418 1.618 0.0 !   tocsy3.200
assign (resid 20 and name HB#) (resid 21 and name HN) 2.917 1.117 0.0 !   tocsy3.201
assign (resid 20 and name HG#) (resid 21 and name HN) 4.521 2.721 0.0 !   tocsy3.198
assign (resid 20 and name HG#) (resid 21 and name HN) 4.035 2.235 0.0 !   tocsy3.199
assign (resid 21 and name HA) (resid 21 and name HN) 3.363 1.563 0.0 !   tocsy3.190
assign (resid 21 and name HD##) (resid 21 and name HN) 3.424 1.624 0.0 !   tocsy3.253
assign (resid 22 and name HA) (resid 22 and name HN) 3.080 1.28 0.0 !   tocsy3.28
assign (resid 22 and name HB#) (resid 22 and name HN) 2.706 0.906 0.0 !   tocsy3.29
assign (resid 19 and name HA) (resid 23 and name HN) 3.939 2.139 0.0 !   tocsy3.170
assign (resid 20 and name HA) (resid 23 and name HN) 4.169 2.369 0.0 !   tocsy3.396
assign (resid 21 and name HD##) (resid 23 and name HN) 4.466 2.666 0.0 !   tocsy3.339
assign (resid 22 and name HN) (resid 23 and name HN) 3.956 2.156 0.0 !   tocsy3.171
assign (resid 23 and name HA) (resid 23 and name HB#) 2.586 0.786 0.0 !   tocsy3.60
assign (resid 23 and name HA) (resid 23 and name HB#) 2.844 1.044 0.0 !   tocsy3.61
assign (resid 23 and name HA) (resid 23 and name HN) 3.354 1.554 0.0 !   tocsy3.25
assign (resid 23 and name HB#) (resid 23 and name HN) 3.532 1.732 0.0 !   tocsy3.26
assign (resid 23 and name HB#) (resid 23 and name HN) 3.453 1.653 0.0 !   tocsy3.27
assign (resid 24 and name HA) (resid 20 and name HE2#) 4.821 3.021 0.0 !   tocsy3.291
assign (resid 20 and name HA) (resid 24 and name HN) 3.567 1.767 0.0 !   tocsy3.397
assign (resid 24 and name HA) (resid 23 and name HN) 3.809 2.009 0.0 !   tocsy3.129
assign (resid 24 and name HB#) (resid 23 and name HN) 3.471 1.671 0.0 !   tocsy3.301
assign (resid 24 and name HN) (resid 23 and name HN) 3.243 1.443 0.0 !   tocsy3.130
assign (resid 24 and name HA) (resid 24 and name HB#) 2.490 0.69 0.0 !   tocsy3.227
assign (resid 24 and name HA) (resid 24 and name HB#) 3.012 1.212 0.0 !   tocsy3.228
assign (resid 24 and name HA) (resid 24 and name HN) 3.196 1.396 0.0 !   tocsy3.17
assign (resid 24 and name HB#) (resid 24 and name HN) 2.616 0.816 0.0 !   tocsy3.12
assign (resid 24 and name HG#) (resid 24 and name HN) 2.637 0.837 0.0 !   tocsy3.14
assign (resid 24 and name HA) (resid 25 and name HN) 3.036 1.236 0.0 !   tocsy3.292
assign (resid 25 and name HA) (resid 25 and name HB#) 3.007 1.207 0.0 !   tocsy3.80
assign (resid 25 and name HA) (resid 25 and name HB#) 3.352 1.552 0.0 !   tocsy3.81
assign (resid 25 and name HE#) (resid 25 and name HB#) 2.626 0.826 0.0 !   tocsy3.237
assign (resid 25 and name HE#) (resid 25 and name HB#) 3.947 2.147 0.0 !   tocsy3.239
assign (resid 25 and name HA) (resid 25 and name HG#) 3.575 1.775 0.0 !   tocsy3.175
assign (resid 25 and name HB#) (resid 25 and name HG#) 2.855 1.055 0.0 !   tocsy3.231
assign (resid 25 and name HB#) (resid 25 and name HG#) 2.200 0.4 0.0 !   tocsy3.232
assign (resid 25 and name HE#) (resid 25 and name HG#) 2.736 0.936 0.0 !   tocsy3.235
assign (resid 25 and name HA) (resid 25 and name HN) 3.571 1.771 0.0 !   tocsy3.11
assign (resid 25 and name HB#) (resid 25 and name HN) 3.221 1.421 0.0 !   tocsy3.13
assign (resid 25 and name HB#) (resid 25 and name HN) 3.319 1.519 0.0 !   tocsy3.15
assign (resid 25 and name HG#) (resid 25 and name HN) 3.237 1.437 0.0 !   tocsy3.16

# Halpha

OBSE (resid 1 and (name HA)) 4.03
OBSE (resid 2 and (name HA)) 4.34
OBSE (resid 3 and (name HA)) 4.43
OBSE (resid 4 and (name HA)) 4.32
OBSE (resid 5 and (name HA)) 4.12
OBSE (resid 6 and (name HA)) 4.12
OBSE (resid 7 and (name HA)) 4.26
OBSE (resid 8 and (name HA)) 4.29
OBSE (resid 9 and (name HA)) 4.16
OBSE (resid 10 and (name HA)) 3.93
OBSE (resid 11 and (name HA)) 4.06
OBSE (resid 12 and (name HA)) 4.29
OBSE (resid 13 and (name HA)) 3.70
OBSE (resid 15 and (name HA)) 4.26
OBSE (resid 16 and (name HA)) 4.07
OBSE (resid 17 and (name HA)) 4.00
OBSE (resid 18 and (name HA)) 4.43
OBSE (resid 19 and (name HA)) 4.22
OBSE (resid 20 and (name HA)) 4.24
OBSE (resid 21 and (name HA)) 4.43
OBSE (resid 22 and (name HA)) 4.44
OBSE (resid 23 and (name HA)) 4.45
OBSE (resid 24 and (name HA)) 4.34
OBSE (resid 25 and (name HA)) 4.15

# H-bond

!Updated on 09/08/01_deviations of H-bond length were corrected on 260305
!Volume and Distance parameters ==>       
! S- 0.80 : 4.00/1.80 M- 0.50 : 5 0/1. 80 W- 0.0 1:06 .00/1 0.8
!XPK files used: none, hydorgen bond data (calculated)       

!START Restraints from: Helix B
assign ( resid 4 and name O   ) ( resid 8 and name hn ) 1.8 0.2 1
assign ( resid 5 and name O   ) ( resid 9 and name hn ) 1.8 0.2 1
assign ( resid 6 and name O   ) ( resid 10 and name hn ) 1.8 0.2 1
assign ( resid 7 and name O   ) ( resid 11 and name hn ) 1.8 0.2 1
assign ( resid 8 and name O   ) ( resid 12 and name hn ) 1.8 0.2 1
assign ( resid 9 and name O   ) ( resid 13 and name hn ) 1.8 0.2 1
assign ( resid 10 and name O   ) ( resid 14 and name hn ) 1.8 0.2 1
assign ( resid 11 and name O   ) ( resid 15 and name hn ) 1.8 0.2 1
assign ( resid 12 and name O   ) ( resid 16 and name hn ) 1.8 0.2 1
assign ( resid 13 and name O   ) ( resid 17 and name hn ) 1.8 0.2 1
assign ( resid 14 and name O   ) ( resid 18 and name hn ) 1.8 0.2 1
assign ( resid 15 and name O   ) ( resid 19 and name hn ) 1.8 0.2 1
assign ( resid 16 and name O   ) ( resid 20 and name hn ) 1.8 0.2 1
assign ( resid 17 and name O   ) ( resid 21 and name hn ) 1.8 0.2 1

# dihedral

! H 4   Phi Psi
assign (resid  3 and name C ) (resid  4 and name N)
       (resid  4 and name CA) (resid  4 and name C) 1.0   -65.15    30.00  2
assign (resid  4 and name N) (resid  4 and name CA)
       (resid  4 and name C) (resid  5 and name  N) 1.0   -34.88    30.00  2
! S 7   Phi Psi
assign (resid  6 and name C ) (resid  7 and name N)
       (resid  7 and name CA) (resid  7 and name C) 1.0   -61.03    30.00  2
assign (resid  7 and name N) (resid  7 and name CA)
       (resid  7 and name C) (resid  8 and name  N) 1.0   -39.62    30.00  2
! Y 8   Phi Psi
assign (resid  7 and name C ) (resid  8 and name N)
       (resid  8 and name CA) (resid  8 and name C) 1.0   -63.67    30.00  2
assign (resid  8 and name N) (resid  8 and name CA)
       (resid  8 and name C) (resid  9 and name  N) 1.0   -41.17    30.00  2
! L 9   Phi Psi
assign (resid  8 and name C ) (resid  9 and name N)
       (resid  9 and name CA) (resid  9 and name C) 1.0   -65.94    30.00  2
assign (resid  9 and name N) (resid  9 and name CA)
       (resid  9 and name C) (resid  10 and name  N) 1.0   -39.50    30.00  2
! R 10  Phi Psi
assign (resid  9 and name C ) (resid  10 and name N)
       (resid  10 and name CA) (resid  10 and name C) 1.0   -63.74    30.00  2
assign (resid  10 and name N) (resid  10 and name CA)
       (resid  10 and name C) (resid  11 and name  N) 1.0   -36.76    30.00  2
! L 11  Phi Psi
assign (resid  10 and name C ) (resid  11 and name N)
       (resid  11 and name CA) (resid  11 and name C) 1.0   -67.24    30.00  2
assign (resid  11 and name N) (resid  11 and name CA)
       (resid  11 and name C) (resid  12 and name  N) 1.0   -39.23    30.00  2
! W 12  Phi Psi
assign (resid  11 and name C ) (resid  12 and name N)
       (resid  12 and name CA) (resid  12 and name C) 1.0   -62.23    30.00  2
assign (resid  12 and name N) (resid  12 and name CA)
       (resid  12 and name C) (resid  13 and name  N) 1.0   -44.58    30.00  2
! S 15  Phi Psi
assign (resid  14 and name C ) (resid  15 and name N)
       (resid  15 and name CA) (resid  15 and name C) 1.0   -64.51    30.00  2
assign (resid  15 and name N) (resid  15 and name CA)
       (resid  15 and name C) (resid  16 and name  N) 1.0   -27.81    30.00  2
! L 16  Phi Psi
assign (resid  15 and name C ) (resid  16 and name N)
       (resid  16 and name CA) (resid  16 and name C) 1.0   -63.80    30.00  2
assign (resid  16 and name N) (resid  16 and name CA)
       (resid  16 and name C) (resid  17 and name  N) 1.0   -35.51    30.00  2
! A 17  Phi Psi
assign (resid  16 and name C ) (resid  17 and name N)
       (resid  17 and name CA) (resid  17 and name C) 1.0   -62.89    30.00  2
assign (resid  17 and name N) (resid  17 and name CA)
       (resid  17 and name C) (resid  18 and name  N) 1.0   -35.93    30.00  2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LYS   1           H1       LYS   1 -19.292   3.441   0.162
    2    H2   LYS   1           H2       LYS   1 -17.794   3.367   0.995
    3    H3   LYS   1           H3       LYS   1 -18.846   2.011   0.995
    4    HA   LYS   1           HA       LYS   1 -18.595   1.872  -1.408
    5    HB2  LYS   1           HB2      LYS   1 -16.999   4.285  -0.797
    6    HB3  LYS   1           HB3      LYS   1 -16.270   3.172  -1.946
    7    HG2  LYS   1           HG2      LYS   1 -17.865   3.543  -3.534
    8    HG3  LYS   1           HG3      LYS   1 -19.112   3.937  -2.349
    9    HD2  LYS   1           HD2      LYS   1 -17.434   5.976  -1.905
   10    HD3  LYS   1           HD3      LYS   1 -17.057   5.665  -3.602
   11    HE2  LYS   1           HE2      LYS   1 -19.052   6.425  -4.313
   12    HE3  LYS   1           HE3      LYS   1 -19.922   5.706  -2.959
   13    HZ1  LYS   1           HZ1      LYS   1 -19.819   8.238  -3.119
   14    HZ2  LYS   1           HZ2      LYS   1 -18.222   8.090  -2.579
   15    HZ3  LYS   1           HZ3      LYS   1 -19.498   7.532  -1.616
   16    H    LYS   2           H        LYS   2 -15.888   2.535   0.820
   17    HA   LYS   2           HA       LYS   2 -14.158   1.255   1.544
   18    HB2  LYS   2           HB2      LYS   2 -16.132  -0.944   0.903
   19    HB3  LYS   2           HB3      LYS   2 -14.597  -1.220   1.716
   20    HG2  LYS   2           HG2      LYS   2 -15.271  -0.145   3.644
   21    HG3  LYS   2           HG3      LYS   2 -16.523   0.780   2.813
   22    HD2  LYS   2           HD2      LYS   2 -17.776  -0.792   3.950
   23    HD3  LYS   2           HD3      LYS   2 -17.576  -1.563   2.376
   24    HE2  LYS   2           HE2      LYS   2 -15.394  -2.182   4.188
   25    HE3  LYS   2           HE3      LYS   2 -16.959  -2.659   4.844
   26    HZ1  LYS   2           HZ1      LYS   2 -15.593  -3.612   2.425
   27    HZ2  LYS   2           HZ2      LYS   2 -17.283  -3.649   2.482
   28    HZ3  LYS   2           HZ3      LYS   2 -16.380  -4.498   3.632
   29    H    SER   3           H        SER   3 -14.586  -1.590  -0.290
   30    HA   SER   3           HA       SER   3 -13.257  -2.516  -1.912
   31    HB2  SER   3           HB2      SER   3 -13.256  -1.358  -4.038
   32    HB3  SER   3           HB3      SER   3 -14.823  -1.107  -3.271
   33    HG   SER   3           HG       SER   3 -13.408   0.758  -4.209
   34    H    HIS   4           H        HIS   4 -11.994  -0.966   0.260
   35    HA   HIS   4           HA       HIS   4  -9.939   0.654  -0.325
   36    HB2  HIS   4           HB2      HIS   4 -10.409  -1.390   1.715
   37    HB3  HIS   4           HB3      HIS   4  -8.697  -1.059   1.432
   38    HD1  HIS   4           HD1      HIS   4 -10.360  -0.211   4.026
   39    HD2  HIS   4           HD2      HIS   4  -9.380   2.252   0.818
   40    HE1  HIS   4           HE1      HIS   4 -10.507   2.136   4.911
   41    HE2  HIS   4           HE2      HIS   4  -9.968   3.611   2.943
   42    H    THR   5           H        THR   5 -10.040  -2.797  -0.996
   43    HA   THR   5           HA       THR   5  -7.598  -3.632  -1.470
   44    HB   THR   5           HB       THR   5 -10.090  -3.865  -3.030
   45    HG1  THR   5           HG1      THR   5  -9.972  -5.743  -2.114
   46   HG21  THR   5          HG21      THR   5  -8.842  -5.299  -4.678
   47   HG22  THR   5          HG22      THR   5  -7.397  -4.452  -4.118
   48   HG23  THR   5          HG23      THR   5  -8.715  -3.543  -4.858
   49    H    ALA   6           H        ALA   6  -9.278  -1.401  -3.654
   50    HA   ALA   6           HA       ALA   6  -6.860  -0.892  -5.156
   51    HB1  ALA   6           HB1      ALA   6  -8.534   0.881  -6.191
   52    HB2  ALA   6           HB2      ALA   6  -9.715  -0.202  -5.455
   53    HB3  ALA   6           HB3      ALA   6  -8.572  -0.822  -6.647
   54    H    SER   7           H        SER   7  -9.188   1.219  -3.663
   55    HA   SER   7           HA       SER   7  -7.736   3.551  -3.508
   56    HB2  SER   7           HB2      SER   7  -9.546   2.553  -1.302
   57    HB3  SER   7           HB3      SER   7  -9.149   4.232  -1.667
   58    HG   SER   7           HG       SER   7 -10.804   4.189  -2.945
   59    H    TYR   8           H        TYR   8  -7.890   1.123  -0.917
   60    HA   TYR   8           HA       TYR   8  -6.044   2.211   0.790
   61    HB2  TYR   8           HB2      TYR   8  -6.197   0.248   1.884
   62    HB3  TYR   8           HB3      TYR   8  -7.397  -0.155   0.670
   63    HD1  TYR   8           HD1      TYR   8  -3.643  -0.146   0.782
   64    HD2  TYR   8           HD2      TYR   8  -7.197  -2.327  -0.118
   65    HE1  TYR   8           HE1      TYR   8  -2.302  -2.067   0.147
   66    HE2  TYR   8           HE2      TYR   8  -5.866  -4.247  -0.743
   67    HH   TYR   8           HH       TYR   8  -2.499  -4.475  -0.103
   68    H    LEU   9           H        LEU   9  -5.421   0.151  -2.039
   69    HA   LEU   9           HA       LEU   9  -2.795  -0.395  -1.873
   70    HB2  LEU   9           HB2      LEU   9  -3.036  -0.959  -4.013
   71    HB3  LEU   9           HB3      LEU   9  -4.662  -0.326  -3.907
   72    HG   LEU   9           HG       LEU   9  -3.603   1.928  -4.570
   73   HD11  LEU   9          HD11      LEU   9  -1.544   1.891  -5.694
   74   HD12  LEU   9          HD12      LEU   9  -1.493   0.127  -5.702
   75   HD13  LEU   9          HD13      LEU   9  -1.289   1.009  -4.187
   76   HD21  LEU   9          HD21      LEU   9  -4.348   1.541  -6.667
   77   HD22  LEU   9          HD22      LEU   9  -4.910   0.031  -5.949
   78   HD23  LEU   9          HD23      LEU   9  -3.393   0.070  -6.848
   79    H    ARG  10           H        ARG  10  -4.072   2.810  -2.861
   80    HA   ARG  10           HA       ARG  10  -1.604   3.949  -3.323
   81    HB2  ARG  10           HB2      ARG  10  -2.673   5.923  -3.574
   82    HB3  ARG  10           HB3      ARG  10  -4.093   4.893  -3.504
   83    HG2  ARG  10           HG2      ARG  10  -2.977   6.156  -1.034
   84    HG3  ARG  10           HG3      ARG  10  -4.108   7.001  -2.102
   85    HD2  ARG  10           HD2      ARG  10  -5.793   5.485  -1.741
   86    HD3  ARG  10           HD3      ARG  10  -4.653   4.223  -1.272
   87    HE   ARG  10           HE       ARG  10  -5.104   4.822   0.855
   88   HH11  ARG  10          HH11      ARG  10  -5.444   7.695  -1.098
   89   HH12  ARG  10          HH12      ARG  10  -5.766   8.725   0.255
   90   HH21  ARG  10          HH21      ARG  10  -5.540   6.177   2.630
   91   HH22  ARG  10          HH22      ARG  10  -5.825   7.865   2.367
   92    H    LEU  11           H        LEU  11  -3.389   3.578  -0.408
   93    HA   LEU  11           HA       LEU  11  -1.876   4.996   1.417
   94    HB2  LEU  11           HB2      LEU  11  -3.849   4.131   2.202
   95    HB3  LEU  11           HB3      LEU  11  -3.599   2.597   1.397
   96    HG   LEU  11           HG       LEU  11  -1.672   2.395   3.267
   97   HD11  LEU  11          HD11      LEU  11  -3.074   3.178   5.383
   98   HD12  LEU  11          HD12      LEU  11  -3.598   4.424   4.248
   99   HD13  LEU  11          HD13      LEU  11  -1.883   4.219   4.604
  100   HD21  LEU  11          HD21      LEU  11  -3.162   0.951   4.453
  101   HD22  LEU  11          HD22      LEU  11  -3.522   0.829   2.730
  102   HD23  LEU  11          HD23      LEU  11  -4.572   1.776   3.788
  103    H    TRP  12           H        TRP  12  -1.721   1.477   1.042
  104    HA   TRP  12           HA       TRP  12   0.693   1.244   2.410
  105    HB2  TRP  12           HB2      TRP  12  -0.031  -0.831   2.578
  106    HB3  TRP  12           HB3      TRP  12  -1.266  -0.513   1.368
  107    HD1  TRP  12           HD1      TRP  12   1.822  -2.410   1.897
  108    HE1  TRP  12           HE1      TRP  12   2.465  -3.709  -0.241
  109    HE3  TRP  12           HE3      TRP  12  -1.247  -0.072  -1.125
  110    HZ2  TRP  12           HZ2      TRP  12   1.652  -3.662  -2.990
  111    HZ3  TRP  12           HZ3      TRP  12  -1.356  -0.679  -3.517
  112    HH2  TRP  12           HH2      TRP  12   0.080  -2.435  -4.443
  113    H    ALA  13           H        ALA  13  -0.059   1.621  -0.927
  114    HA   ALA  13           HA       ALA  13   2.474   0.912  -1.861
  115    HB1  ALA  13           HB1      ALA  13   1.819   2.040  -3.965
  116    HB2  ALA  13           HB2      ALA  13   0.366   2.620  -3.149
  117    HB3  ALA  13           HB3      ALA  13   0.615   0.889  -3.383
  118    H    LEU  14           H        LEU  14   1.022   4.055  -1.097
  119    HA   LEU  14           HA       LEU  14   3.217   5.662  -1.735
  120    HB2  LEU  14           HB2      LEU  14   0.952   5.855   0.191
  121    HB3  LEU  14           HB3      LEU  14   2.320   6.915   0.473
  122    HG   LEU  14           HG       LEU  14   1.255   6.885  -2.287
  123   HD11  LEU  14          HD11      LEU  14  -0.233   8.589  -0.375
  124   HD12  LEU  14          HD12      LEU  14  -0.673   6.884  -0.459
  125   HD13  LEU  14          HD13      LEU  14  -0.746   7.886  -1.908
  126   HD21  LEU  14          HD21      LEU  14   1.658   9.361  -0.732
  127   HD22  LEU  14          HD22      LEU  14   2.155   8.955  -2.375
  128   HD23  LEU  14          HD23      LEU  14   3.089   8.365  -1.002
  129    H    SER  15           H        SER  15   2.335   4.038   1.291
  130    HA   SER  15           HA       SER  15   4.619   4.545   2.804
  131    HB2  SER  15           HB2      SER  15   2.814   2.119   2.597
  132    HB3  SER  15           HB3      SER  15   4.069   2.276   3.831
  133    HG   SER  15           HG       SER  15   1.782   3.009   4.299
  134    H    LEU  16           H        LEU  16   3.859   1.812   0.706
  135    HA   LEU  16           HA       LEU  16   6.084   0.300   0.687
  136    HB2  LEU  16           HB2      LEU  16   3.878   0.393  -0.832
  137    HB3  LEU  16           HB3      LEU  16   5.027   1.043  -1.988
  138    HG   LEU  16           HG       LEU  16   6.438  -1.019  -1.595
  139   HD11  LEU  16          HD11      LEU  16   4.937  -1.445   0.570
  140   HD12  LEU  16          HD12      LEU  16   5.746  -2.746  -0.305
  141   HD13  LEU  16          HD13      LEU  16   4.036  -2.421  -0.590
  142   HD21  LEU  16          HD21      LEU  16   4.538  -0.550  -3.400
  143   HD22  LEU  16          HD22      LEU  16   3.810  -1.946  -2.604
  144   HD23  LEU  16          HD23      LEU  16   5.414  -2.079  -3.324
  145    H    ALA  17           H        ALA  17   5.681   3.415  -0.828
  146    HA   ALA  17           HA       ALA  17   7.960   3.603  -2.380
  147    HB1  ALA  17           HB1      ALA  17   7.001   5.858  -0.645
  148    HB2  ALA  17           HB2      ALA  17   6.118   5.324  -2.077
  149    HB3  ALA  17           HB3      ALA  17   7.762   5.947  -2.233
  150    H    HIS  18           H        HIS  18   7.555   4.238   1.052
  151    HA   HIS  18           HA       HIS  18   9.945   5.172   1.932
  152    HB2  HIS  18           HB2      HIS  18   9.594   3.746   3.953
  153    HB3  HIS  18           HB3      HIS  18   8.212   4.729   3.484
  154    HD1  HIS  18           HD1      HIS  18   6.706   3.035   4.831
  155    HD2  HIS  18           HD2      HIS  18   8.564   1.414   1.444
  156    HE1  HIS  18           HE1      HIS  18   5.450   0.932   4.288
  157    HE2  HIS  18           HE2      HIS  18   6.750  -0.148   2.435
  158    H    ALA  19           H        ALA  19   9.167   1.840   1.472
  159    HA   ALA  19           HA       ALA  19  11.820   0.900   2.026
  160    HB1  ALA  19           HB1      ALA  19  10.198  -0.626   2.721
  161    HB2  ALA  19           HB2      ALA  19  10.757  -1.311   1.195
  162    HB3  ALA  19           HB3      ALA  19   9.237  -0.418   1.256
  163    H    GLN  20           H        GLN  20   9.845   1.793  -0.656
  164    HA   GLN  20           HA       GLN  20  11.486   0.526  -2.541
  165    HB2  GLN  20           HB2      GLN  20   9.615   2.828  -3.029
  166    HB3  GLN  20           HB3      GLN  20  10.295   1.776  -4.258
  167    HG2  GLN  20           HG2      GLN  20   8.073   1.330  -2.396
  168    HG3  GLN  20           HG3      GLN  20   8.255   0.841  -4.070
  169   HE21  GLN  20          HE21      GLN  20   8.931   0.042  -0.753
  170   HE22  GLN  20          HE22      GLN  20   9.374  -1.606  -1.027
  171    H    LEU  21           H        LEU  21  11.544   3.437  -0.775
  172    HA   LEU  21           HA       LEU  21  13.475   4.697  -2.587
  173    HB2  LEU  21           HB2      LEU  21  13.385   6.529  -0.765
  174    HB3  LEU  21           HB3      LEU  21  12.022   6.313  -1.844
  175    HG   LEU  21           HG       LEU  21  11.266   4.711   0.186
  176   HD11  LEU  21          HD11      LEU  21  13.338   5.396   1.433
  177   HD12  LEU  21          HD12      LEU  21  11.810   5.594   2.290
  178   HD13  LEU  21          HD13      LEU  21  12.611   6.998   1.578
  179   HD21  LEU  21          HD21      LEU  21  10.377   7.006  -0.969
  180   HD22  LEU  21          HD22      LEU  21  10.622   7.511   0.703
  181   HD23  LEU  21          HD23      LEU  21   9.566   6.146   0.338
  182    H    SER  22           H        SER  22  13.543   2.752   0.250
  183    HA   SER  22           HA       SER  22  16.419   2.955   0.304
  184    HB2  SER  22           HB2      SER  22  14.718   4.251   2.345
  185    HB3  SER  22           HB3      SER  22  16.099   3.338   2.952
  186    HG   SER  22           HG       SER  22  16.172   5.418   1.020
  187    H    SER  23           H        SER  23  14.405   0.826  -0.123
  188    HA   SER  23           HA       SER  23  15.662  -1.159   1.512
  189    HB2  SER  23           HB2      SER  23  12.689  -0.869   1.939
  190    HB3  SER  23           HB3      SER  23  13.814  -1.915   2.801
  191    HG   SER  23           HG       SER  23  13.549   0.894   2.958
  192    H    LYS  24           H        LYS  24  14.802  -0.355  -1.323
  193    HA   LYS  24           HA       LYS  24  12.980  -2.069  -2.387
  194    HB2  LYS  24           HB2      LYS  24  15.348  -0.611  -3.352
  195    HB3  LYS  24           HB3      LYS  24  14.770  -1.910  -4.395
  196    HG2  LYS  24           HG2      LYS  24  12.534  -0.869  -4.379
  197    HG3  LYS  24           HG3      LYS  24  13.192   0.445  -3.404
  198    HD2  LYS  24           HD2      LYS  24  14.093  -0.319  -6.181
  199    HD3  LYS  24           HD3      LYS  24  13.078   1.064  -5.769
  200    HE2  LYS  24           HE2      LYS  24  14.898   1.988  -4.416
  201    HE3  LYS  24           HE3      LYS  24  15.910   0.608  -4.837
  202    HZ1  LYS  24           HZ1      LYS  24  15.058   2.866  -6.510
  203    HZ2  LYS  24           HZ2      LYS  24  15.371   1.375  -7.248
  204    HZ3  LYS  24           HZ3      LYS  24  16.585   2.153  -6.365
  205    H    LYS  25           H        LYS  25  13.325  -4.006  -3.739
  206    HA   LYS  25           HA       LYS  25  15.658  -5.623  -3.153
  207    HB2  LYS  25           HB2      LYS  25  14.361  -7.515  -2.278
  208    HB3  LYS  25           HB3      LYS  25  14.233  -6.107  -1.233
  209    HG2  LYS  25           HG2      LYS  25  12.108  -6.001  -3.111
  210    HG3  LYS  25           HG3      LYS  25  12.160  -7.627  -2.426
  211    HD2  LYS  25           HD2      LYS  25  12.235  -5.134  -0.740
  212    HD3  LYS  25           HD3      LYS  25  10.734  -5.947  -1.187
  213    HE2  LYS  25           HE2      LYS  25  10.999  -7.317   0.538
  214    HE3  LYS  25           HE3      LYS  25  12.469  -7.939  -0.212
  215    HZ1  LYS  25           HZ1      LYS  25  12.891  -7.144   2.026
  216    HZ2  LYS  25           HZ2      LYS  25  12.316  -5.605   1.620
  217    HZ3  LYS  25           HZ3      LYS  25  13.727  -6.198   0.899
  Start of MODEL    2
    1    H1   LYS   1           H1       LYS   1 -17.996   2.858  -0.198
    2    H2   LYS   1           H2       LYS   1 -19.389   1.884  -0.435
    3    H3   LYS   1           H3       LYS   1 -19.071   3.201  -1.489
    4    HA   LYS   1           HA       LYS   1 -18.564   0.954  -2.358
    5    HB2  LYS   1           HB2      LYS   1 -16.856   3.371  -2.276
    6    HB3  LYS   1           HB3      LYS   1 -16.095   1.921  -2.919
    7    HG2  LYS   1           HG2      LYS   1 -18.677   2.167  -4.085
    8    HG3  LYS   1           HG3      LYS   1 -17.849   3.719  -4.219
    9    HD2  LYS   1           HD2      LYS   1 -16.431   1.179  -4.929
   10    HD3  LYS   1           HD3      LYS   1 -17.530   1.941  -6.082
   11    HE2  LYS   1           HE2      LYS   1 -15.504   2.886  -6.658
   12    HE3  LYS   1           HE3      LYS   1 -16.168   4.090  -5.556
   13    HZ1  LYS   1           HZ1      LYS   1 -14.522   1.987  -4.383
   14    HZ2  LYS   1           HZ2      LYS   1 -14.636   3.625  -3.976
   15    HZ3  LYS   1           HZ3      LYS   1 -13.722   3.148  -5.318
   16    H    LYS   2           H        LYS   2 -16.080   2.210  -0.122
   17    HA   LYS   2           HA       LYS   2 -14.529   1.169   1.178
   18    HB2  LYS   2           HB2      LYS   2 -16.557  -1.077   1.198
   19    HB3  LYS   2           HB3      LYS   2 -15.240  -0.862   2.342
   20    HG2  LYS   2           HG2      LYS   2 -16.287   0.844   3.443
   21    HG3  LYS   2           HG3      LYS   2 -17.205   1.346   2.022
   22    HD2  LYS   2           HD2      LYS   2 -17.801  -1.349   3.071
   23    HD3  LYS   2           HD3      LYS   2 -18.277   0.005   4.096
   24    HE2  LYS   2           HE2      LYS   2 -20.123   0.117   2.850
   25    HE3  LYS   2           HE3      LYS   2 -19.096   0.792   1.585
   26    HZ1  LYS   2           HZ1      LYS   2 -19.995  -0.935   0.454
   27    HZ2  LYS   2           HZ2      LYS   2 -20.223  -1.890   1.832
   28    HZ3  LYS   2           HZ3      LYS   2 -18.687  -1.762   1.136
   29    H    SER   3           H        SER   3 -14.211   0.911  -1.636
   30    HA   SER   3           HA       SER   3 -13.315  -1.811  -2.139
   31    HB2  SER   3           HB2      SER   3 -14.403  -0.230  -3.870
   32    HB3  SER   3           HB3      SER   3 -12.826   0.558  -3.938
   33    HG   SER   3           HG       SER   3 -13.339  -1.277  -5.456
   34    H    HIS   4           H        HIS   4 -12.084  -0.362   0.009
   35    HA   HIS   4           HA       HIS   4  -9.771   0.920  -0.325
   36    HB2  HIS   4           HB2      HIS   4 -10.691  -1.089   1.639
   37    HB3  HIS   4           HB3      HIS   4  -8.968  -0.710   1.646
   38    HD1  HIS   4           HD1      HIS   4 -10.860   0.115   3.987
   39    HD2  HIS   4           HD2      HIS   4  -9.818   2.568   0.789
   40    HE1  HIS   4           HE1      HIS   4 -11.257   2.464   4.786
   41    HE2  HIS   4           HE2      HIS   4 -10.498   3.935   2.886
   42    H    THR   5           H        THR   5 -10.288  -2.449  -1.050
   43    HA   THR   5           HA       THR   5  -7.905  -3.639  -1.206
   44    HB   THR   5           HB       THR   5  -8.763  -4.992  -2.849
   45    HG1  THR   5           HG1      THR   5 -10.259  -2.968  -4.089
   46   HG21  THR   5          HG21      THR   5 -10.529  -4.409  -1.090
   47   HG22  THR   5          HG22      THR   5 -11.025  -5.286  -2.543
   48   HG23  THR   5          HG23      THR   5 -11.318  -3.545  -2.414
   49    H    ALA   6           H        ALA   6  -9.128  -1.466  -3.686
   50    HA   ALA   6           HA       ALA   6  -6.469  -1.121  -4.791
   51    HB1  ALA   6           HB1      ALA   6  -7.625   0.193  -6.545
   52    HB2  ALA   6           HB2      ALA   6  -9.147  -0.143  -5.720
   53    HB3  ALA   6           HB3      ALA   6  -8.203  -1.467  -6.403
   54    H    SER   7           H        SER   7  -9.061   0.824  -3.495
   55    HA   SER   7           HA       SER   7  -7.816   3.332  -3.537
   56    HB2  SER   7           HB2      SER   7  -9.551   2.499  -1.235
   57    HB3  SER   7           HB3      SER   7  -9.452   4.068  -2.030
   58    HG   SER   7           HG       SER   7 -11.113   2.059  -2.548
   59    H    TYR   8           H        TYR   8  -7.952   1.135  -0.751
   60    HA   TYR   8           HA       TYR   8  -6.164   2.486   0.860
   61    HB2  TYR   8           HB2      TYR   8  -6.294   0.664   2.212
   62    HB3  TYR   8           HB3      TYR   8  -7.545   0.157   1.089
   63    HD1  TYR   8           HD1      TYR   8  -3.791   0.050   1.074
   64    HD2  TYR   8           HD2      TYR   8  -7.448  -2.099   0.611
   65    HE1  TYR   8           HE1      TYR   8  -2.533  -1.963   0.596
   66    HE2  TYR   8           HE2      TYR   8  -6.188  -4.129   0.115
   67    HH   TYR   8           HH       TYR   8  -3.707  -4.577  -0.873
   68    H    LEU   9           H        LEU   9  -5.552   0.086  -1.672
   69    HA   LEU   9           HA       LEU   9  -2.945  -0.499  -1.446
   70    HB2  LEU   9           HB2      LEU   9  -3.239  -1.315  -3.497
   71    HB3  LEU   9           HB3      LEU   9  -4.834  -0.596  -3.470
   72    HG   LEU   9           HG       LEU   9  -3.686   1.504  -4.408
   73   HD11  LEU   9          HD11      LEU   9  -1.406   0.576  -3.904
   74   HD12  LEU   9          HD12      LEU   9  -1.630   1.240  -5.524
   75   HD13  LEU   9          HD13      LEU   9  -1.638  -0.507  -5.276
   76   HD21  LEU   9          HD21      LEU   9  -4.958   0.731  -6.070
   77   HD22  LEU   9          HD22      LEU   9  -4.598  -0.948  -5.670
   78   HD23  LEU   9          HD23      LEU   9  -3.494  -0.029  -6.693
   79    H    ARG  10           H        ARG  10  -4.137   2.588  -2.835
   80    HA   ARG  10           HA       ARG  10  -1.639   3.596  -3.420
   81    HB2  ARG  10           HB2      ARG  10  -2.678   5.521  -3.966
   82    HB3  ARG  10           HB3      ARG  10  -4.123   4.551  -3.728
   83    HG2  ARG  10           HG2      ARG  10  -2.941   6.139  -1.486
   84    HG3  ARG  10           HG3      ARG  10  -4.067   6.842  -2.660
   85    HD2  ARG  10           HD2      ARG  10  -5.795   5.501  -2.021
   86    HD3  ARG  10           HD3      ARG  10  -4.701   4.224  -1.486
   87    HE   ARG  10           HE       ARG  10  -5.066   5.031   0.587
   88   HH11  ARG  10          HH11      ARG  10  -5.163   7.769  -1.580
   89   HH12  ARG  10          HH12      ARG  10  -5.287   8.928  -0.304
   90   HH21  ARG  10          HH21      ARG  10  -5.239   6.559   2.260
   91   HH22  ARG  10          HH22      ARG  10  -5.336   8.244   1.871
   92    H    LEU  11           H        LEU  11  -3.459   3.641  -0.499
   93    HA   LEU  11           HA       LEU  11  -1.941   5.250   1.153
   94    HB2  LEU  11           HB2      LEU  11  -3.934   4.498   2.015
   95    HB3  LEU  11           HB3      LEU  11  -3.678   2.870   1.423
   96    HG   LEU  11           HG       LEU  11  -1.774   2.901   3.317
   97   HD11  LEU  11          HD11      LEU  11  -2.364   5.242   3.948
   98   HD12  LEU  11          HD12      LEU  11  -2.475   4.079   5.270
   99   HD13  LEU  11          HD13      LEU  11  -3.941   4.647   4.470
  100   HD21  LEU  11          HD21      LEU  11  -3.670   1.319   2.986
  101   HD22  LEU  11          HD22      LEU  11  -4.681   2.415   3.933
  102   HD23  LEU  11          HD23      LEU  11  -3.277   1.647   4.675
  103    H    TRP  12           H        TRP  12  -1.836   1.715   1.224
  104    HA   TRP  12           HA       TRP  12   0.571   1.616   2.620
  105    HB2  TRP  12           HB2      TRP  12  -0.193  -0.408   3.053
  106    HB3  TRP  12           HB3      TRP  12  -1.425  -0.222   1.812
  107    HD1  TRP  12           HD1      TRP  12   1.618  -2.104   2.584
  108    HE1  TRP  12           HE1      TRP  12   2.237  -3.675   0.631
  109    HE3  TRP  12           HE3      TRP  12  -1.396  -0.102  -0.719
  110    HZ2  TRP  12           HZ2      TRP  12   1.426  -3.959  -2.105
  111    HZ3  TRP  12           HZ3      TRP  12  -1.517  -1.004  -3.015
  112    HH2  TRP  12           HH2      TRP  12  -0.117  -2.893  -3.706
  113    H    ALA  13           H        ALA  13  -0.163   1.585  -0.740
  114    HA   ALA  13           HA       ALA  13   2.348   0.698  -1.569
  115    HB1  ALA  13           HB1      ALA  13   1.725   1.541  -3.800
  116    HB2  ALA  13           HB2      ALA  13   0.306   2.301  -3.079
  117    HB3  ALA  13           HB3      ALA  13   0.466   0.544  -3.070
  118    H    LEU  14           H        LEU  14   0.980   3.970  -1.293
  119    HA   LEU  14           HA       LEU  14   3.250   5.386  -2.088
  120    HB2  LEU  14           HB2      LEU  14   0.856   5.944  -0.492
  121    HB3  LEU  14           HB3      LEU  14   2.250   6.864   0.038
  122    HG   LEU  14           HG       LEU  14   2.043   6.990  -2.829
  123   HD11  LEU  14          HD11      LEU  14  -0.051   8.218  -3.010
  124   HD12  LEU  14          HD12      LEU  14  -0.399   7.896  -1.312
  125   HD13  LEU  14          HD13      LEU  14  -0.335   6.565  -2.467
  126   HD21  LEU  14          HD21      LEU  14   2.972   8.550  -0.825
  127   HD22  LEU  14          HD22      LEU  14   1.451   9.364  -1.198
  128   HD23  LEU  14          HD23      LEU  14   2.656   9.123  -2.463
  129    H    SER  15           H        SER  15   2.248   4.213   1.108
  130    HA   SER  15           HA       SER  15   4.512   4.886   2.594
  131    HB2  SER  15           HB2      SER  15   2.647   2.497   2.687
  132    HB3  SER  15           HB3      SER  15   3.888   2.792   3.912
  133    HG   SER  15           HG       SER  15   1.573   3.655   4.157
  134    H    LEU  16           H        LEU  16   3.729   1.910   0.865
  135    HA   LEU  16           HA       LEU  16   5.934   0.379   1.109
  136    HB2  LEU  16           HB2      LEU  16   3.739   0.330  -0.474
  137    HB3  LEU  16           HB3      LEU  16   4.973   0.681  -1.671
  138    HG   LEU  16           HG       LEU  16   6.215  -1.345  -0.939
  139   HD11  LEU  16          HD11      LEU  16   3.940  -2.558   0.403
  140   HD12  LEU  16          HD12      LEU  16   4.617  -1.198   1.300
  141   HD13  LEU  16          HD13      LEU  16   5.647  -2.555   0.845
  142   HD21  LEU  16          HD21      LEU  16   5.059  -2.670  -2.364
  143   HD22  LEU  16          HD22      LEU  16   4.196  -1.165  -2.683
  144   HD23  LEU  16          HD23      LEU  16   3.512  -2.356  -1.575
  145    H    ALA  17           H        ALA  17   5.590   3.274  -0.794
  146    HA   ALA  17           HA       ALA  17   7.866   3.228  -2.365
  147    HB1  ALA  17           HB1      ALA  17   7.032   5.736  -0.964
  148    HB2  ALA  17           HB2      ALA  17   6.006   5.005  -2.198
  149    HB3  ALA  17           HB3      ALA  17   7.640   5.528  -2.606
  150    H    HIS  18           H        HIS  18   7.464   4.253   0.965
  151    HA   HIS  18           HA       HIS  18   9.879   5.271   1.706
  152    HB2  HIS  18           HB2      HIS  18   9.471   4.170   3.911
  153    HB3  HIS  18           HB3      HIS  18   8.119   5.107   3.286
  154    HD1  HIS  18           HD1      HIS  18   6.588   3.654   4.876
  155    HD2  HIS  18           HD2      HIS  18   8.367   1.543   1.724
  156    HE1  HIS  18           HE1      HIS  18   5.264   1.539   4.620
  157    HE2  HIS  18           HE2      HIS  18   6.513   0.183   2.920
  158    H    ALA  19           H        ALA  19   8.994   1.934   1.678
  159    HA   ALA  19           HA       ALA  19  11.607   0.971   2.379
  160    HB1  ALA  19           HB1      ALA  19   9.335  -0.126   2.941
  161    HB2  ALA  19           HB2      ALA  19  10.656  -1.171   2.415
  162    HB3  ALA  19           HB3      ALA  19   9.380  -0.724   1.282
  163    H    GLN  20           H        GLN  20   9.667   1.626  -0.406
  164    HA   GLN  20           HA       GLN  20  11.193   0.137  -2.188
  165    HB2  GLN  20           HB2      GLN  20   9.515   2.568  -2.764
  166    HB3  GLN  20           HB3      GLN  20  10.183   1.505  -3.988
  167    HG2  GLN  20           HG2      GLN  20   7.863   1.149  -2.232
  168    HG3  GLN  20           HG3      GLN  20   8.116   0.636  -3.890
  169   HE21  GLN  20          HE21      GLN  20   8.831  -0.116  -0.535
  170   HE22  GLN  20          HE22      GLN  20   9.154  -1.796  -0.781
  171    H    LEU  21           H        LEU  21  11.409   3.212  -0.731
  172    HA   LEU  21           HA       LEU  21  13.666   4.052  -2.412
  173    HB2  LEU  21           HB2      LEU  21  13.500   6.128  -0.934
  174    HB3  LEU  21           HB3      LEU  21  12.166   5.822  -2.034
  175    HG   LEU  21           HG       LEU  21  11.189   4.579   0.094
  176   HD11  LEU  21          HD11      LEU  21  13.222   5.032   1.417
  177   HD12  LEU  21          HD12      LEU  21  11.735   5.636   2.149
  178   HD13  LEU  21          HD13      LEU  21  12.837   6.754   1.340
  179   HD21  LEU  21          HD21      LEU  21  10.750   7.386   0.504
  180   HD22  LEU  21          HD22      LEU  21   9.649   6.141  -0.089
  181   HD23  LEU  21          HD23      LEU  21  10.721   6.982  -1.213
  182    H    SER  22           H        SER  22  12.936   2.666   0.651
  183    HA   SER  22           HA       SER  22  15.158   3.431   2.155
  184    HB2  SER  22           HB2      SER  22  14.620   1.639   3.621
  185    HB3  SER  22           HB3      SER  22  13.082   2.179   2.950
  186    HG   SER  22           HG       SER  22  13.315  -0.109   2.918
  187    H    SER  23           H        SER  23  14.682   0.447   0.225
  188    HA   SER  23           HA       SER  23  17.238   0.452  -0.901
  189    HB2  SER  23           HB2      SER  23  17.686   0.045   1.678
  190    HB3  SER  23           HB3      SER  23  17.253  -1.611   1.262
  191    HG   SER  23           HG       SER  23  19.156  -1.814   0.428
  192    H    LYS  24           H        LYS  24  14.416  -0.295  -1.351
  193    HA   LYS  24           HA       LYS  24  14.142  -3.049  -1.535
  194    HB2  LYS  24           HB2      LYS  24  12.775  -0.683  -2.619
  195    HB3  LYS  24           HB3      LYS  24  12.470  -2.211  -3.444
  196    HG2  LYS  24           HG2      LYS  24  12.245  -1.894  -0.478
  197    HG3  LYS  24           HG3      LYS  24  10.898  -1.601  -1.573
  198    HD2  LYS  24           HD2      LYS  24  10.900  -3.856  -2.325
  199    HD3  LYS  24           HD3      LYS  24  12.444  -4.179  -1.533
  200    HE2  LYS  24           HE2      LYS  24  11.408  -3.913   0.646
  201    HE3  LYS  24           HE3      LYS  24   9.871  -3.504  -0.112
  202    HZ1  LYS  24           HZ1      LYS  24  11.278  -6.113  -0.229
  203    HZ2  LYS  24           HZ2      LYS  24   9.907  -5.739  -1.147
  204    HZ3  LYS  24           HZ3      LYS  24   9.809  -5.779   0.540
  205    H    LYS  25           H        LYS  25  13.442  -3.769  -4.034
  206    HA   LYS  25           HA       LYS  25  15.884  -4.336  -5.288
  207    HB2  LYS  25           HB2      LYS  25  13.075  -4.449  -6.399
  208    HB3  LYS  25           HB3      LYS  25  14.486  -5.161  -7.170
  209    HG2  LYS  25           HG2      LYS  25  14.784  -6.476  -4.999
  210    HG3  LYS  25           HG3      LYS  25  13.135  -5.973  -4.622
  211    HD2  LYS  25           HD2      LYS  25  12.917  -8.078  -5.650
  212    HD3  LYS  25           HD3      LYS  25  12.499  -6.908  -6.903
  213    HE2  LYS  25           HE2      LYS  25  13.910  -8.447  -7.970
  214    HE3  LYS  25           HE3      LYS  25  14.939  -7.057  -7.623
  215    HZ1  LYS  25           HZ1      LYS  25  15.055  -9.751  -6.573
  216    HZ2  LYS  25           HZ2      LYS  25  15.276  -8.534  -5.418
  217    HZ3  LYS  25           HZ3      LYS  25  16.289  -8.611  -6.770
  Start of MODEL    3
    1    H1   LYS   1           H1       LYS   1 -16.772   3.419   3.340
    2    H2   LYS   1           H2       LYS   1 -16.729   2.961   1.687
    3    H3   LYS   1           H3       LYS   1 -16.799   4.619   2.117
    4    HA   LYS   1           HA       LYS   1 -14.627   4.305   1.555
    5    HB2  LYS   1           HB2      LYS   1 -15.096   5.375   3.777
    6    HB3  LYS   1           HB3      LYS   1 -14.755   3.826   4.536
    7    HG2  LYS   1           HG2      LYS   1 -12.542   4.244   2.958
    8    HG3  LYS   1           HG3      LYS   1 -12.936   5.862   3.540
    9    HD2  LYS   1           HD2      LYS   1 -13.130   3.881   5.650
   10    HD3  LYS   1           HD3      LYS   1 -11.527   3.898   4.911
   11    HE2  LYS   1           HE2      LYS   1 -12.948   6.371   5.879
   12    HE3  LYS   1           HE3      LYS   1 -11.819   5.445   6.867
   13    HZ1  LYS   1           HZ1      LYS   1 -10.049   5.978   5.453
   14    HZ2  LYS   1           HZ2      LYS   1 -10.898   7.431   5.630
   15    HZ3  LYS   1           HZ3      LYS   1 -11.065   6.519   4.214
   16    H    LYS   2           H        LYS   2 -15.706   1.729   1.038
   17    HA   LYS   2           HA       LYS   2 -13.663  -0.052   2.184
   18    HB2  LYS   2           HB2      LYS   2 -16.477  -0.457   1.281
   19    HB3  LYS   2           HB3      LYS   2 -15.359  -1.782   1.008
   20    HG2  LYS   2           HG2      LYS   2 -14.984  -2.106   3.277
   21    HG3  LYS   2           HG3      LYS   2 -15.588  -0.503   3.700
   22    HD2  LYS   2           HD2      LYS   2 -17.417  -1.706   4.300
   23    HD3  LYS   2           HD3      LYS   2 -17.801  -1.504   2.590
   24    HE2  LYS   2           HE2      LYS   2 -16.552  -3.701   2.230
   25    HE3  LYS   2           HE3      LYS   2 -16.643  -3.902   3.979
   26    HZ1  LYS   2           HZ1      LYS   2 -19.164  -3.396   3.518
   27    HZ2  LYS   2           HZ2      LYS   2 -18.538  -4.960   3.351
   28    HZ3  LYS   2           HZ3      LYS   2 -18.781  -3.995   1.984
   29    H    SER   3           H        SER   3 -13.997  -2.067   0.086
   30    HA   SER   3           HA       SER   3 -13.041  -2.629  -1.914
   31    HB2  SER   3           HB2      SER   3 -14.283   0.002  -2.424
   32    HB3  SER   3           HB3      SER   3 -12.974  -0.418  -3.528
   33    HG   SER   3           HG       SER   3 -14.968  -2.315  -2.966
   34    H    HIS   4           H        HIS   4 -11.654  -1.232   0.365
   35    HA   HIS   4           HA       HIS   4  -9.676   0.463  -0.209
   36    HB2  HIS   4           HB2      HIS   4  -9.999  -1.761   1.664
   37    HB3  HIS   4           HB3      HIS   4  -8.313  -1.358   1.334
   38    HD1  HIS   4           HD1      HIS   4  -9.671  -0.804   4.094
   39    HD2  HIS   4           HD2      HIS   4  -9.302   1.979   1.020
   40    HE1  HIS   4           HE1      HIS   4  -9.880   1.444   5.193
   41    HE2  HIS   4           HE2      HIS   4  -9.705   3.112   3.316
   42    H    THR   5           H        THR   5  -9.742  -2.926  -1.192
   43    HA   THR   5           HA       THR   5  -7.291  -3.613  -1.872
   44    HB   THR   5           HB       THR   5  -9.859  -3.824  -3.308
   45    HG1  THR   5           HG1      THR   5  -9.146  -6.043  -3.272
   46   HG21  THR   5          HG21      THR   5  -8.635  -5.049  -5.143
   47   HG22  THR   5          HG22      THR   5  -7.207  -4.172  -4.586
   48   HG23  THR   5          HG23      THR   5  -8.610  -3.280  -5.174
   49    H    ALA   6           H        ALA   6  -9.189  -1.282  -3.754
   50    HA   ALA   6           HA       ALA   6  -6.873  -0.521  -5.314
   51    HB1  ALA   6           HB1      ALA   6  -9.729   0.387  -5.381
   52    HB2  ALA   6           HB2      ALA   6  -8.907  -0.667  -6.533
   53    HB3  ALA   6           HB3      ALA   6  -8.468   1.038  -6.429
   54    H    SER   7           H        SER   7  -9.261   1.319  -3.568
   55    HA   SER   7           HA       SER   7  -7.939   3.720  -3.275
   56    HB2  SER   7           HB2      SER   7 -10.044   2.323  -1.760
   57    HB3  SER   7           HB3      SER   7  -9.159   3.541  -0.839
   58    HG   SER   7           HG       SER   7 -10.342   3.996  -3.377
   59    H    TYR   8           H        TYR   8  -7.824   1.071  -0.918
   60    HA   TYR   8           HA       TYR   8  -5.939   2.153   0.784
   61    HB2  TYR   8           HB2      TYR   8  -6.001   0.134   1.774
   62    HB3  TYR   8           HB3      TYR   8  -7.217  -0.263   0.575
   63    HD1  TYR   8           HD1      TYR   8  -3.479  -0.093   0.665
   64    HD2  TYR   8           HD2      TYR   8  -6.919  -2.359  -0.432
   65    HE1  TYR   8           HE1      TYR   8  -2.056  -1.890  -0.104
   66    HE2  TYR   8           HE2      TYR   8  -5.495  -4.157  -1.208
   67    HH   TYR   8           HH       TYR   8  -3.200  -5.004  -0.845
   68    H    LEU   9           H        LEU   9  -5.432   0.263  -2.173
   69    HA   LEU   9           HA       LEU   9  -2.801  -0.241  -2.146
   70    HB2  LEU   9           HB2      LEU   9  -3.172  -0.790  -4.266
   71    HB3  LEU   9           HB3      LEU   9  -4.777  -0.119  -4.088
   72    HG   LEU   9           HG       LEU   9  -3.702   2.114  -4.754
   73   HD11  LEU   9          HD11      LEU   9  -1.644   0.283  -5.943
   74   HD12  LEU   9          HD12      LEU   9  -1.393   1.200  -4.458
   75   HD13  LEU   9          HD13      LEU   9  -1.685   2.047  -5.977
   76   HD21  LEU   9          HD21      LEU   9  -3.575   0.327  -7.083
   77   HD22  LEU   9          HD22      LEU   9  -4.542   1.777  -6.815
   78   HD23  LEU   9          HD23      LEU   9  -5.058   0.233  -6.133
   79    H    ARG  10           H        ARG  10  -4.151   2.954  -3.036
   80    HA   ARG  10           HA       ARG  10  -1.697   4.110  -3.525
   81    HB2  ARG  10           HB2      ARG  10  -2.857   5.990  -3.904
   82    HB3  ARG  10           HB3      ARG  10  -4.263   4.980  -3.609
   83    HG2  ARG  10           HG2      ARG  10  -2.922   6.436  -1.371
   84    HG3  ARG  10           HG3      ARG  10  -4.139   7.200  -2.404
   85    HD2  ARG  10           HD2      ARG  10  -5.802   5.771  -1.746
   86    HD3  ARG  10           HD3      ARG  10  -4.644   4.502  -1.344
   87    HE   ARG  10           HE       ARG  10  -4.978   5.194   0.784
   88   HH11  ARG  10          HH11      ARG  10  -5.025   8.072  -1.208
   89   HH12  ARG  10          HH12      ARG  10  -4.989   9.150   0.144
   90   HH21  ARG  10          HH21      ARG  10  -4.983   6.621   2.549
   91   HH22  ARG  10          HH22      ARG  10  -4.978   8.332   2.270
   92    H    LEU  11           H        LEU  11  -3.439   3.667  -0.600
   93    HA   LEU  11           HA       LEU  11  -1.941   5.119   1.217
   94    HB2  LEU  11           HB2      LEU  11  -3.906   4.219   1.997
   95    HB3  LEU  11           HB3      LEU  11  -3.619   2.683   1.208
   96    HG   LEU  11           HG       LEU  11  -1.710   2.492   3.063
   97   HD11  LEU  11          HD11      LEU  11  -3.633   3.653   4.904
   98   HD12  LEU  11          HD12      LEU  11  -2.912   4.857   3.837
   99   HD13  LEU  11          HD13      LEU  11  -1.880   3.832   4.835
  100   HD21  LEU  11          HD21      LEU  11  -4.640   1.956   3.535
  101   HD22  LEU  11          HD22      LEU  11  -3.297   1.205   4.397
  102   HD23  LEU  11          HD23      LEU  11  -3.514   0.907   2.671
  103    H    TRP  12           H        TRP  12  -1.765   1.608   0.842
  104    HA   TRP  12           HA       TRP  12   0.672   1.397   2.181
  105    HB2  TRP  12           HB2      TRP  12  -0.027  -0.682   2.403
  106    HB3  TRP  12           HB3      TRP  12  -1.321  -0.373   1.255
  107    HD1  TRP  12           HD1      TRP  12   1.670  -2.383   1.691
  108    HE1  TRP  12           HE1      TRP  12   2.228  -3.696  -0.461
  109    HE3  TRP  12           HE3      TRP  12  -1.298   0.134  -1.306
  110    HZ2  TRP  12           HZ2      TRP  12   1.402  -3.589  -3.201
  111    HZ3  TRP  12           HZ3      TRP  12  -1.448  -0.451  -3.694
  112    HH2  TRP  12           HH2      TRP  12  -0.112  -2.275  -4.638
  113    H    ALA  13           H        ALA  13  -0.111   1.706  -1.160
  114    HA   ALA  13           HA       ALA  13   2.395   0.920  -2.096
  115    HB1  ALA  13           HB1      ALA  13   0.523   2.793  -3.505
  116    HB2  ALA  13           HB2      ALA  13   0.342   1.041  -3.499
  117    HB3  ALA  13           HB3      ALA  13   1.766   1.774  -4.232
  118    H    LEU  14           H        LEU  14   1.030   4.151  -1.518
  119    HA   LEU  14           HA       LEU  14   3.313   5.627  -2.152
  120    HB2  LEU  14           HB2      LEU  14   0.964   6.027  -0.376
  121    HB3  LEU  14           HB3      LEU  14   2.368   7.020  -0.030
  122    HG   LEU  14           HG       LEU  14   0.790   8.203  -1.459
  123   HD11  LEU  14          HD11      LEU  14   2.842   9.059  -1.929
  124   HD12  LEU  14          HD12      LEU  14   2.450   8.399  -3.517
  125   HD13  LEU  14          HD13      LEU  14   3.503   7.502  -2.425
  126   HD21  LEU  14          HD21      LEU  14   0.982   5.708  -3.049
  127   HD22  LEU  14          HD22      LEU  14   0.811   7.227  -3.929
  128   HD23  LEU  14          HD23      LEU  14  -0.405   6.754  -2.742
  129    H    SER  15           H        SER  15   2.249   4.191   0.900
  130    HA   SER  15           HA       SER  15   4.451   4.730   2.511
  131    HB2  SER  15           HB2      SER  15   2.605   2.330   2.304
  132    HB3  SER  15           HB3      SER  15   3.779   2.526   3.609
  133    HG   SER  15           HG       SER  15   1.789   3.333   4.276
  134    H    LEU  16           H        LEU  16   3.771   1.876   0.560
  135    HA   LEU  16           HA       LEU  16   5.959   0.331   0.749
  136    HB2  LEU  16           HB2      LEU  16   3.840   0.641  -1.053
  137    HB3  LEU  16           HB3      LEU  16   5.282   0.728  -2.055
  138    HG   LEU  16           HG       LEU  16   4.648  -1.538  -0.164
  139   HD11  LEU  16          HD11      LEU  16   3.420  -0.972  -2.575
  140   HD12  LEU  16          HD12      LEU  16   3.471  -2.538  -1.764
  141   HD13  LEU  16          HD13      LEU  16   4.667  -2.145  -2.999
  142   HD21  LEU  16          HD21      LEU  16   7.089  -0.783  -1.172
  143   HD22  LEU  16          HD22      LEU  16   6.539  -1.985  -2.340
  144   HD23  LEU  16          HD23      LEU  16   6.654  -2.404  -0.630
  145    H    ALA  17           H        ALA  17   5.703   3.348  -0.963
  146    HA   ALA  17           HA       ALA  17   8.055   3.385  -2.423
  147    HB1  ALA  17           HB1      ALA  17   6.183   5.105  -2.375
  148    HB2  ALA  17           HB2      ALA  17   7.830   5.717  -2.540
  149    HB3  ALA  17           HB3      ALA  17   7.011   5.797  -0.979
  150    H    HIS  18           H        HIS  18   7.484   4.392   0.905
  151    HA   HIS  18           HA       HIS  18   9.832   5.433   1.760
  152    HB2  HIS  18           HB2      HIS  18   9.378   4.266   3.937
  153    HB3  HIS  18           HB3      HIS  18   8.047   5.217   3.286
  154    HD1  HIS  18           HD1      HIS  18   6.456   3.746   4.784
  155    HD2  HIS  18           HD2      HIS  18   8.347   1.669   1.681
  156    HE1  HIS  18           HE1      HIS  18   5.153   1.629   4.461
  157    HE2  HIS  18           HE2      HIS  18   6.425   0.313   2.756
  158    H    ALA  19           H        ALA  19   9.083   2.062   1.834
  159    HA   ALA  19           HA       ALA  19  11.727   1.218   2.546
  160    HB1  ALA  19           HB1      ALA  19  10.713  -1.084   2.036
  161    HB2  ALA  19           HB2      ALA  19   9.185  -0.225   1.810
  162    HB3  ALA  19           HB3      ALA  19  10.006  -0.173   3.370
  163    H    GLN  20           H        GLN  20   9.785   1.760  -0.219
  164    HA   GLN  20           HA       GLN  20  11.231   0.301  -2.072
  165    HB2  GLN  20           HB2      GLN  20   8.914   1.628  -2.131
  166    HB3  GLN  20           HB3      GLN  20   9.939   2.796  -2.946
  167    HG2  GLN  20           HG2      GLN  20  10.293   1.475  -4.714
  168    HG3  GLN  20           HG3      GLN  20  10.144  -0.004  -3.774
  169   HE21  GLN  20          HE21      GLN  20   7.640   0.743  -2.562
  170   HE22  GLN  20          HE22      GLN  20   6.426   0.604  -3.783
  171    H    LEU  21           H        LEU  21  11.695   3.269  -0.502
  172    HA   LEU  21           HA       LEU  21  13.760   4.134  -2.416
  173    HB2  LEU  21           HB2      LEU  21  13.630   6.258  -0.931
  174    HB3  LEU  21           HB3      LEU  21  12.352   5.924  -2.087
  175    HG   LEU  21           HG       LEU  21  11.394   4.678   0.123
  176   HD11  LEU  21          HD11      LEU  21  13.161   5.417   1.548
  177   HD12  LEU  21          HD12      LEU  21  11.653   6.214   2.004
  178   HD13  LEU  21          HD13      LEU  21  12.877   7.098   1.088
  179   HD21  LEU  21          HD21      LEU  21  10.636   6.739  -1.506
  180   HD22  LEU  21          HD22      LEU  21  10.657   7.479   0.096
  181   HD23  LEU  21          HD23      LEU  21   9.683   6.038  -0.200
  182    H    SER  22           H        SER  22  13.562   2.463   0.478
  183    HA   SER  22           HA       SER  22  16.349   3.169   1.110
  184    HB2  SER  22           HB2      SER  22  14.039   2.920   3.032
  185    HB3  SER  22           HB3      SER  22  15.718   2.807   3.557
  186    HG   SER  22           HG       SER  22  14.325   4.987   3.211
  187    H    SER  23           H        SER  23  14.273   0.737   0.205
  188    HA   SER  23           HA       SER  23  16.159  -1.301   0.444
  189    HB2  SER  23           HB2      SER  23  15.652  -1.038   2.906
  190    HB3  SER  23           HB3      SER  23  14.009  -1.571   2.557
  191    HG   SER  23           HG       SER  23  15.126  -3.463   1.560
  192    H    LYS  24           H        LYS  24  14.480  -0.391  -1.481
  193    HA   LYS  24           HA       LYS  24  12.037  -1.644  -1.813
  194    HB2  LYS  24           HB2      LYS  24  12.233  -1.075  -4.121
  195    HB3  LYS  24           HB3      LYS  24  13.009   0.190  -3.178
  196    HG2  LYS  24           HG2      LYS  24  15.018  -1.671  -3.779
  197    HG3  LYS  24           HG3      LYS  24  14.100  -1.430  -5.265
  198    HD2  LYS  24           HD2      LYS  24  15.179   0.490  -5.584
  199    HD3  LYS  24           HD3      LYS  24  14.456   1.118  -4.105
  200    HE2  LYS  24           HE2      LYS  24  16.324   0.032  -2.837
  201    HE3  LYS  24           HE3      LYS  24  17.076  -0.337  -4.389
  202    HZ1  LYS  24           HZ1      LYS  24  16.602   2.308  -3.160
  203    HZ2  LYS  24           HZ2      LYS  24  16.884   2.149  -4.822
  204    HZ3  LYS  24           HZ3      LYS  24  18.058   1.647  -3.712
  205    H    LYS  25           H        LYS  25  11.694  -3.220  -3.769
  206    HA   LYS  25           HA       LYS  25  13.029  -5.686  -3.044
  207    HB2  LYS  25           HB2      LYS  25  11.390  -6.753  -4.530
  208    HB3  LYS  25           HB3      LYS  25  10.609  -5.690  -3.367
  209    HG2  LYS  25           HG2      LYS  25   9.712  -4.443  -4.972
  210    HG3  LYS  25           HG3      LYS  25  11.252  -4.299  -5.821
  211    HD2  LYS  25           HD2      LYS  25   9.721  -6.862  -5.959
  212    HD3  LYS  25           HD3      LYS  25   9.227  -5.495  -6.961
  213    HE2  LYS  25           HE2      LYS  25  12.091  -5.935  -7.060
  214    HE3  LYS  25           HE3      LYS  25  11.190  -7.368  -7.551
  215    HZ1  LYS  25           HZ1      LYS  25  11.794  -5.456  -9.239
  216    HZ2  LYS  25           HZ2      LYS  25  10.347  -4.799  -8.658
  217    HZ3  LYS  25           HZ3      LYS  25  10.354  -6.332  -9.371
  Start of MODEL    4
    1    H1   LYS   1           H1       LYS   1 -18.826   1.024   0.302
    2    H2   LYS   1           H2       LYS   1 -18.037   0.912  -1.218
    3    H3   LYS   1           H3       LYS   1 -19.481   1.827  -1.063
    4    HA   LYS   1           HA       LYS   1 -17.752   3.342  -1.147
    5    HB2  LYS   1           HB2      LYS   1 -19.192   2.823   1.363
    6    HB3  LYS   1           HB3      LYS   1 -17.785   3.861   1.546
    7    HG2  LYS   1           HG2      LYS   1 -19.527   4.543  -0.714
    8    HG3  LYS   1           HG3      LYS   1 -20.265   4.722   0.880
    9    HD2  LYS   1           HD2      LYS   1 -17.540   5.833   0.310
   10    HD3  LYS   1           HD3      LYS   1 -18.995   6.729  -0.133
   11    HE2  LYS   1           HE2      LYS   1 -19.755   6.606   2.204
   12    HE3  LYS   1           HE3      LYS   1 -18.268   5.760   2.630
   13    HZ1  LYS   1           HZ1      LYS   1 -18.461   8.320   2.942
   14    HZ2  LYS   1           HZ2      LYS   1 -18.093   8.369   1.292
   15    HZ3  LYS   1           HZ3      LYS   1 -17.016   7.643   2.378
   16    H    LYS   2           H        LYS   2 -16.918   0.437   0.419
   17    HA   LYS   2           HA       LYS   2 -14.377   1.415   1.433
   18    HB2  LYS   2           HB2      LYS   2 -15.682  -1.307   1.423
   19    HB3  LYS   2           HB3      LYS   2 -14.048  -1.036   2.012
   20    HG2  LYS   2           HG2      LYS   2 -14.750   0.056   3.883
   21    HG3  LYS   2           HG3      LYS   2 -16.221   0.656   3.115
   22    HD2  LYS   2           HD2      LYS   2 -17.410  -1.082   3.851
   23    HD3  LYS   2           HD3      LYS   2 -16.210  -2.234   3.264
   24    HE2  LYS   2           HE2      LYS   2 -14.955  -2.085   5.266
   25    HE3  LYS   2           HE3      LYS   2 -15.852  -0.668   5.807
   26    HZ1  LYS   2           HZ1      LYS   2 -17.832  -2.404   5.585
   27    HZ2  LYS   2           HZ2      LYS   2 -16.932  -2.226   7.006
   28    HZ3  LYS   2           HZ3      LYS   2 -16.579  -3.485   5.932
   29    H    SER   3           H        SER   3 -14.600  -1.698  -0.198
   30    HA   SER   3           HA       SER   3 -13.252  -2.605  -1.815
   31    HB2  SER   3           HB2      SER   3 -14.427  -0.141  -2.938
   32    HB3  SER   3           HB3      SER   3 -13.015  -0.748  -3.800
   33    HG   SER   3           HG       SER   3 -14.132  -2.410  -4.466
   34    H    HIS   4           H        HIS   4 -12.027  -0.966   0.325
   35    HA   HIS   4           HA       HIS   4 -10.023   0.700  -0.321
   36    HB2  HIS   4           HB2      HIS   4 -10.418  -1.301   1.785
   37    HB3  HIS   4           HB3      HIS   4  -8.726  -0.879   1.502
   38    HD1  HIS   4           HD1      HIS   4 -10.487  -0.044   4.049
   39    HD2  HIS   4           HD2      HIS   4  -9.571   2.363   0.778
   40    HE1  HIS   4           HE1      HIS   4 -10.776   2.320   4.851
   41    HE2  HIS   4           HE2      HIS   4 -10.268   3.758   2.847
   42    H    THR   5           H        THR   5 -10.048  -2.763  -0.898
   43    HA   THR   5           HA       THR   5  -7.585  -3.562  -1.340
   44    HB   THR   5           HB       THR   5 -10.069  -3.892  -2.887
   45    HG1  THR   5           HG1      THR   5  -9.734  -5.968  -2.333
   46   HG21  THR   5          HG21      THR   5  -7.367  -4.428  -3.982
   47   HG22  THR   5          HG22      THR   5  -8.704  -3.556  -4.726
   48   HG23  THR   5          HG23      THR   5  -8.800  -5.313  -4.525
   49    H    ALA   6           H        ALA   6  -9.304  -1.411  -3.564
   50    HA   ALA   6           HA       ALA   6  -6.907  -0.899  -5.094
   51    HB1  ALA   6           HB1      ALA   6  -9.496  -0.971  -5.812
   52    HB2  ALA   6           HB2      ALA   6  -8.253  -0.107  -6.716
   53    HB3  ALA   6           HB3      ALA   6  -9.276   0.762  -5.573
   54    H    SER   7           H        SER   7  -9.248   1.224  -3.637
   55    HA   SER   7           HA       SER   7  -7.810   3.570  -3.540
   56    HB2  SER   7           HB2      SER   7  -9.601   2.632  -1.295
   57    HB3  SER   7           HB3      SER   7  -9.236   4.299  -1.742
   58    HG   SER   7           HG       SER   7 -10.426   4.058  -3.589
   59    H    TYR   8           H        TYR   8  -7.945   1.203  -0.892
   60    HA   TYR   8           HA       TYR   8  -6.100   2.352   0.782
   61    HB2  TYR   8           HB2      TYR   8  -6.248   0.418   1.929
   62    HB3  TYR   8           HB3      TYR   8  -7.443  -0.028   0.724
   63    HD1  TYR   8           HD1      TYR   8  -3.689   0.016   0.844
   64    HD2  TYR   8           HD2      TYR   8  -7.221  -2.219  -0.007
   65    HE1  TYR   8           HE1      TYR   8  -2.330  -1.910   0.265
   66    HE2  TYR   8           HE2      TYR   8  -5.871  -4.145  -0.573
   67    HH   TYR   8           HH       TYR   8  -2.517  -3.973  -1.093
   68    H    LEU   9           H        LEU   9  -5.493   0.209  -1.983
   69    HA   LEU   9           HA       LEU   9  -2.871  -0.337  -1.825
   70    HB2  LEU   9           HB2      LEU   9  -3.139  -0.976  -3.941
   71    HB3  LEU   9           HB3      LEU   9  -4.761  -0.335  -3.837
   72    HG   LEU   9           HG       LEU   9  -3.702   1.892  -4.592
   73   HD11  LEU   9          HD11      LEU   9  -1.656   1.814  -5.724
   74   HD12  LEU   9          HD12      LEU   9  -1.621   0.051  -5.709
   75   HD13  LEU   9          HD13      LEU   9  -1.387   0.951  -4.208
   76   HD21  LEU   9          HD21      LEU   9  -3.534  -0.044  -6.808
   77   HD22  LEU   9          HD22      LEU   9  -4.487   1.433  -6.659
   78   HD23  LEU   9          HD23      LEU   9  -5.036  -0.052  -5.883
   79    H    ARG  10           H        ARG  10  -4.134   2.838  -2.917
   80    HA   ARG  10           HA       ARG  10  -1.665   3.933  -3.455
   81    HB2  ARG  10           HB2      ARG  10  -2.722   5.905  -3.770
   82    HB3  ARG  10           HB3      ARG  10  -4.150   4.891  -3.639
   83    HG2  ARG  10           HG2      ARG  10  -2.986   6.242  -1.237
   84    HG3  ARG  10           HG3      ARG  10  -4.124   7.054  -2.322
   85    HD2  ARG  10           HD2      ARG  10  -5.821   5.583  -1.867
   86    HD3  ARG  10           HD3      ARG  10  -4.690   4.314  -1.391
   87    HE   ARG  10           HE       ARG  10  -5.096   4.972   0.728
   88   HH11  ARG  10          HH11      ARG  10  -5.387   7.814  -1.281
   89   HH12  ARG  10          HH12      ARG  10  -5.633   8.883   0.055
   90   HH21  ARG  10          HH21      ARG  10  -5.434   6.381   2.482
   91   HH22  ARG  10          HH22      ARG  10  -5.665   8.072   2.188
   92    H    LEU  11           H        LEU  11  -3.414   3.701  -0.504
   93    HA   LEU  11           HA       LEU  11  -1.859   5.173   1.242
   94    HB2  LEU  11           HB2      LEU  11  -3.829   4.365   2.088
   95    HB3  LEU  11           HB3      LEU  11  -3.609   2.797   1.343
   96    HG   LEU  11           HG       LEU  11  -1.658   2.650   3.196
   97   HD11  LEU  11          HD11      LEU  11  -3.758   3.954   4.829
   98   HD12  LEU  11          HD12      LEU  11  -2.653   5.003   3.943
   99   HD13  LEU  11          HD13      LEU  11  -2.020   3.832   5.100
  100   HD21  LEU  11          HD21      LEU  11  -3.151   1.271   4.459
  101   HD22  LEU  11          HD22      LEU  11  -3.523   1.078   2.745
  102   HD23  LEU  11          HD23      LEU  11  -4.558   2.078   3.766
  103    H    TRP  12           H        TRP  12  -1.747   1.641   1.007
  104    HA   TRP  12           HA       TRP  12   0.684   1.433   2.351
  105    HB2  TRP  12           HB2      TRP  12  -0.067  -0.622   2.617
  106    HB3  TRP  12           HB3      TRP  12  -1.315  -0.338   1.411
  107    HD1  TRP  12           HD1      TRP  12   1.752  -2.257   1.981
  108    HE1  TRP  12           HE1      TRP  12   2.349  -3.654  -0.108
  109    HE3  TRP  12           HE3      TRP  12  -1.317   0.001  -1.102
  110    HZ2  TRP  12           HZ2      TRP  12   1.504  -3.709  -2.847
  111    HZ3  TRP  12           HZ3      TRP  12  -1.463  -0.702  -3.466
  112    HH2  TRP  12           HH2      TRP  12  -0.065  -2.519  -4.332
  113    H    ALA  13           H        ALA  13  -0.109   1.681  -0.987
  114    HA   ALA  13           HA       ALA  13   2.381   0.882  -1.941
  115    HB1  ALA  13           HB1      ALA  13   1.725   1.914  -4.069
  116    HB2  ALA  13           HB2      ALA  13   0.336   2.639  -3.258
  117    HB3  ALA  13           HB3      ALA  13   0.458   0.884  -3.402
  118    H    LEU  14           H        LEU  14   1.036   4.103  -1.306
  119    HA   LEU  14           HA       LEU  14   3.293   5.596  -2.008
  120    HB2  LEU  14           HB2      LEU  14   0.994   5.971  -0.166
  121    HB3  LEU  14           HB3      LEU  14   2.402   6.963   0.158
  122    HG   LEU  14           HG       LEU  14   1.471   6.928  -2.649
  123   HD11  LEU  14          HD11      LEU  14  -0.345   8.454  -2.268
  124   HD12  LEU  14          HD12      LEU  14  -0.064   8.418  -0.527
  125   HD13  LEU  14          HD13      LEU  14  -0.642   6.973  -1.358
  126   HD21  LEU  14          HD21      LEU  14   2.039   9.292  -2.491
  127   HD22  LEU  14          HD22      LEU  14   3.364   8.287  -1.906
  128   HD23  LEU  14          HD23      LEU  14   2.316   9.121  -0.758
  129    H    SER  15           H        SER  15   2.335   4.152   1.082
  130    HA   SER  15           HA       SER  15   4.598   4.668   2.611
  131    HB2  SER  15           HB2      SER  15   2.764   2.258   2.467
  132    HB3  SER  15           HB3      SER  15   3.979   2.471   3.733
  133    HG   SER  15           HG       SER  15   2.888   4.231   4.493
  134    H    LEU  16           H        LEU  16   3.837   1.885   0.585
  135    HA   LEU  16           HA       LEU  16   6.059   0.342   0.694
  136    HB2  LEU  16           HB2      LEU  16   3.838   0.571  -0.951
  137    HB3  LEU  16           HB3      LEU  16   5.188   0.766  -2.060
  138    HG   LEU  16           HG       LEU  16   4.794  -1.579  -0.198
  139   HD11  LEU  16          HD11      LEU  16   3.350  -2.292  -1.733
  140   HD12  LEU  16          HD12      LEU  16   4.731  -2.467  -2.817
  141   HD13  LEU  16          HD13      LEU  16   3.768  -0.988  -2.844
  142   HD21  LEU  16          HD21      LEU  16   6.589  -2.539  -1.760
  143   HD22  LEU  16          HD22      LEU  16   7.095  -1.402  -0.511
  144   HD23  LEU  16          HD23      LEU  16   6.922  -0.859  -2.181
  145    H    ALA  17           H        ALA  17   5.669   3.378  -0.954
  146    HA   ALA  17           HA       ALA  17   7.957   3.465  -2.521
  147    HB1  ALA  17           HB1      ALA  17   7.707   5.782  -2.599
  148    HB2  ALA  17           HB2      ALA  17   7.052   5.860  -0.964
  149    HB3  ALA  17           HB3      ALA  17   6.073   5.202  -2.276
  150    H    HIS  18           H        HIS  18   7.520   4.115   0.889
  151    HA   HIS  18           HA       HIS  18   9.904   5.161   1.702
  152    HB2  HIS  18           HB2      HIS  18   9.519   3.834   3.823
  153    HB3  HIS  18           HB3      HIS  18   8.176   4.844   3.295
  154    HD1  HIS  18           HD1      HIS  18   6.648   3.225   4.756
  155    HD2  HIS  18           HD2      HIS  18   8.381   1.467   1.374
  156    HE1  HIS  18           HE1      HIS  18   5.325   1.144   4.296
  157    HE2  HIS  18           HE2      HIS  18   6.571  -0.032   2.466
  158    H    ALA  19           H        ALA  19   9.213   1.813   2.155
  159    HA   ALA  19           HA       ALA  19  11.799   0.871   2.482
  160    HB1  ALA  19           HB1      ALA  19  10.675  -1.347   1.602
  161    HB2  ALA  19           HB2      ALA  19   9.197  -0.400   1.777
  162    HB3  ALA  19           HB3      ALA  19  10.241  -0.673   3.172
  163    H    GLN  20           H        GLN  20   9.968   1.700  -0.346
  164    HA   GLN  20           HA       GLN  20  11.640   0.308  -2.130
  165    HB2  GLN  20           HB2      GLN  20   9.756   2.594  -2.650
  166    HB3  GLN  20           HB3      GLN  20  10.602   1.714  -3.908
  167    HG2  GLN  20           HG2      GLN  20   8.200   1.051  -2.455
  168    HG3  GLN  20           HG3      GLN  20   8.775   0.475  -4.009
  169   HE21  GLN  20          HE21      GLN  20   8.984   0.013  -0.538
  170   HE22  GLN  20          HE22      GLN  20   9.493  -1.638  -0.595
  171    H    LEU  21           H        LEU  21  11.528   3.431  -0.698
  172    HA   LEU  21           HA       LEU  21  13.761   4.438  -2.299
  173    HB2  LEU  21           HB2      LEU  21  13.407   6.501  -0.817
  174    HB3  LEU  21           HB3      LEU  21  12.167   6.103  -1.992
  175    HG   LEU  21           HG       LEU  21  11.027   4.879  -0.009
  176   HD11  LEU  21          HD11      LEU  21  13.260   5.569   1.341
  177   HD12  LEU  21          HD12      LEU  21  11.703   5.222   2.091
  178   HD13  LEU  21          HD13      LEU  21  12.178   6.893   1.772
  179   HD21  LEU  21          HD21      LEU  21   9.600   6.588   0.041
  180   HD22  LEU  21          HD22      LEU  21  10.654   7.285  -1.189
  181   HD23  LEU  21          HD23      LEU  21  10.846   7.748   0.503
  182    H    SER  22           H        SER  22  13.620   2.447   0.289
  183    HA   SER  22           HA       SER  22  16.231   3.376   1.222
  184    HB2  SER  22           HB2      SER  22  13.854   2.879   3.013
  185    HB3  SER  22           HB3      SER  22  15.512   2.966   3.604
  186    HG   SER  22           HG       SER  22  13.941   4.965   3.330
  187    H    SER  23           H        SER  23  14.457   0.809   0.077
  188    HA   SER  23           HA       SER  23  16.481  -1.056   0.519
  189    HB2  SER  23           HB2      SER  23  15.153  -0.705   2.880
  190    HB3  SER  23           HB3      SER  23  14.242  -2.038   2.172
  191    HG   SER  23           HG       SER  23  17.037  -1.931   2.648
  192    H    LYS  24           H        LYS  24  15.127  -0.361  -1.657
  193    HA   LYS  24           HA       LYS  24  12.876  -2.026  -2.139
  194    HB2  LYS  24           HB2      LYS  24  12.951  -1.169  -4.396
  195    HB3  LYS  24           HB3      LYS  24  13.217   0.138  -3.252
  196    HG2  LYS  24           HG2      LYS  24  15.235   0.601  -4.069
  197    HG3  LYS  24           HG3      LYS  24  15.693  -1.102  -4.144
  198    HD2  LYS  24           HD2      LYS  24  13.689  -0.231  -6.122
  199    HD3  LYS  24           HD3      LYS  24  15.302   0.459  -6.317
  200    HE2  LYS  24           HE2      LYS  24  16.027  -2.057  -5.955
  201    HE3  LYS  24           HE3      LYS  24  14.395  -2.366  -6.541
  202    HZ1  LYS  24           HZ1      LYS  24  16.221  -2.280  -8.261
  203    HZ2  LYS  24           HZ2      LYS  24  16.281  -0.609  -7.995
  204    HZ3  LYS  24           HZ3      LYS  24  14.861  -1.324  -8.573
  205    H    LYS  25           H        LYS  25  14.392  -3.896  -1.275
  206    HA   LYS  25           HA       LYS  25  16.005  -5.075  -3.389
  207    HB2  LYS  25           HB2      LYS  25  15.489  -5.791  -0.511
  208    HB3  LYS  25           HB3      LYS  25  16.308  -6.902  -1.602
  209    HG2  LYS  25           HG2      LYS  25  18.157  -5.516  -1.830
  210    HG3  LYS  25           HG3      LYS  25  17.277  -4.091  -1.274
  211    HD2  LYS  25           HD2      LYS  25  18.749  -4.759   0.482
  212    HD3  LYS  25           HD3      LYS  25  17.108  -5.180   0.976
  213    HE2  LYS  25           HE2      LYS  25  17.828  -7.463  -0.253
  214    HE3  LYS  25           HE3      LYS  25  19.404  -6.918   0.322
  215    HZ1  LYS  25           HZ1      LYS  25  17.229  -6.795   2.246
  216    HZ2  LYS  25           HZ2      LYS  25  18.841  -7.264   2.460
  217    HZ3  LYS  25           HZ3      LYS  25  17.725  -8.348   1.797
  Start of MODEL    5
    1    H1   LYS   1           H1       LYS   1 -19.676   1.841  -0.654
    2    H2   LYS   1           H2       LYS   1 -18.315   1.964   0.385
    3    H3   LYS   1           H3       LYS   1 -19.364   0.610   0.498
    4    HA   LYS   1           HA       LYS   1 -18.756  -0.071  -1.697
    5    HB2  LYS   1           HB2      LYS   1 -17.311   2.531  -1.544
    6    HB3  LYS   1           HB3      LYS   1 -16.548   1.229  -2.445
    7    HG2  LYS   1           HG2      LYS   1 -19.336   2.250  -2.943
    8    HG3  LYS   1           HG3      LYS   1 -17.902   2.737  -3.850
    9    HD2  LYS   1           HD2      LYS   1 -17.850   0.822  -5.033
   10    HD3  LYS   1           HD3      LYS   1 -18.289  -0.165  -3.638
   11    HE2  LYS   1           HE2      LYS   1 -20.618   0.470  -3.891
   12    HE3  LYS   1           HE3      LYS   1 -20.203   1.538  -5.231
   13    HZ1  LYS   1           HZ1      LYS   1 -19.365  -1.230  -5.504
   14    HZ2  LYS   1           HZ2      LYS   1 -20.018  -0.177  -6.655
   15    HZ3  LYS   1           HZ3      LYS   1 -21.034  -0.963  -5.553
   16    H    LYS   2           H        LYS   2 -16.225   1.425   0.332
   17    HA   LYS   2           HA       LYS   2 -14.454   0.543   1.458
   18    HB2  LYS   2           HB2      LYS   2 -16.181  -1.941   1.531
   19    HB3  LYS   2           HB3      LYS   2 -14.779  -1.634   2.546
   20    HG2  LYS   2           HG2      LYS   2 -15.878   0.047   3.751
   21    HG3  LYS   2           HG3      LYS   2 -17.156   0.192   2.544
   22    HD2  LYS   2           HD2      LYS   2 -17.985  -0.981   4.498
   23    HD3  LYS   2           HD3      LYS   2 -17.926  -2.076   3.115
   24    HE2  LYS   2           HE2      LYS   2 -16.630  -3.470   4.257
   25    HE3  LYS   2           HE3      LYS   2 -15.424  -2.201   4.465
   26    HZ1  LYS   2           HZ1      LYS   2 -17.766  -2.163   6.218
   27    HZ2  LYS   2           HZ2      LYS   2 -16.170  -1.703   6.539
   28    HZ3  LYS   2           HZ3      LYS   2 -16.589  -3.341   6.508
   29    H    SER   3           H        SER   3 -14.257   0.527  -1.321
   30    HA   SER   3           HA       SER   3 -13.182  -2.045  -2.136
   31    HB2  SER   3           HB2      SER   3 -14.462  -0.332  -3.626
   32    HB3  SER   3           HB3      SER   3 -12.908   0.495  -3.723
   33    HG   SER   3           HG       SER   3 -12.016  -1.346  -4.634
   34    H    HIS   4           H        HIS   4 -11.976  -0.517   0.081
   35    HA   HIS   4           HA       HIS   4  -9.739   0.880  -0.319
   36    HB2  HIS   4           HB2      HIS   4 -10.475  -1.216   1.647
   37    HB3  HIS   4           HB3      HIS   4  -8.788  -0.706   1.613
   38    HD1  HIS   4           HD1      HIS   4 -10.616  -0.056   4.033
   39    HD2  HIS   4           HD2      HIS   4  -9.965   2.501   0.816
   40    HE1  HIS   4           HE1      HIS   4 -11.174   2.244   4.881
   41    HE2  HIS   4           HE2      HIS   4 -10.668   3.788   2.955
   42    H    THR   5           H        THR   5 -10.122  -2.505  -1.068
   43    HA   THR   5           HA       THR   5  -7.705  -3.595  -1.311
   44    HB   THR   5           HB       THR   5  -8.547  -4.943  -2.970
   45    HG1  THR   5           HG1      THR   5  -8.582  -3.551  -4.682
   46   HG21  THR   5          HG21      THR   5 -10.291  -4.484  -1.160
   47   HG22  THR   5          HG22      THR   5 -10.794  -5.323  -2.632
   48   HG23  THR   5          HG23      THR   5 -11.140  -3.601  -2.432
   49    H    ALA   6           H        ALA   6  -9.060  -1.428  -3.729
   50    HA   ALA   6           HA       ALA   6  -6.447  -0.961  -4.887
   51    HB1  ALA   6           HB1      ALA   6  -8.764  -1.252  -6.116
   52    HB2  ALA   6           HB2      ALA   6  -7.494  -0.213  -6.764
   53    HB3  ALA   6           HB3      ALA   6  -8.832   0.491  -5.855
   54    H    SER   7           H        SER   7  -9.041   0.853  -3.424
   55    HA   SER   7           HA       SER   7  -7.881   3.408  -3.429
   56    HB2  SER   7           HB2      SER   7 -10.005   2.065  -1.896
   57    HB3  SER   7           HB3      SER   7  -9.229   3.402  -1.047
   58    HG   SER   7           HG       SER   7  -9.717   4.728  -2.833
   59    H    TYR   8           H        TYR   8  -7.880   1.160  -0.683
   60    HA   TYR   8           HA       TYR   8  -6.061   2.492   0.893
   61    HB2  TYR   8           HB2      TYR   8  -6.092   0.624   2.192
   62    HB3  TYR   8           HB3      TYR   8  -7.387   0.138   1.108
   63    HD1  TYR   8           HD1      TYR   8  -3.636   0.080   0.920
   64    HD2  TYR   8           HD2      TYR   8  -7.288  -2.097   0.556
   65    HE1  TYR   8           HE1      TYR   8  -2.380  -1.904   0.329
   66    HE2  TYR   8           HE2      TYR   8  -6.028  -4.100  -0.050
   67    HH   TYR   8           HH       TYR   8  -3.616  -4.973   0.374
   68    H    LEU   9           H        LEU   9  -5.494   0.226  -1.760
   69    HA   LEU   9           HA       LEU   9  -2.870  -0.325  -1.640
   70    HB2  LEU   9           HB2      LEU   9  -3.204  -1.041  -3.723
   71    HB3  LEU   9           HB3      LEU   9  -4.813  -0.365  -3.611
   72    HG   LEU   9           HG       LEU   9  -3.742   1.810  -4.471
   73   HD11  LEU   9          HD11      LEU   9  -1.711   1.668  -5.636
   74   HD12  LEU   9          HD12      LEU   9  -1.680  -0.092  -5.523
   75   HD13  LEU   9          HD13      LEU   9  -1.427   0.890  -4.078
   76   HD21  LEU   9          HD21      LEU   9  -3.589   0.434  -6.843
   77   HD22  LEU   9          HD22      LEU   9  -5.063   1.077  -6.118
   78   HD23  LEU   9          HD23      LEU   9  -4.609  -0.606  -5.848
   79    H    ARG  10           H        ARG  10  -4.172   2.801  -2.822
   80    HA   ARG  10           HA       ARG  10  -1.728   3.911  -3.445
   81    HB2  ARG  10           HB2      ARG  10  -2.828   5.854  -3.803
   82    HB3  ARG  10           HB3      ARG  10  -4.234   4.816  -3.617
   83    HG2  ARG  10           HG2      ARG  10  -3.064   6.257  -1.270
   84    HG3  ARG  10           HG3      ARG  10  -4.221   7.024  -2.370
   85    HD2  ARG  10           HD2      ARG  10  -5.895   5.537  -1.866
   86    HD3  ARG  10           HD3      ARG  10  -4.740   4.306  -1.350
   87    HE   ARG  10           HE       ARG  10  -5.145   5.032   0.746
   88   HH11  ARG  10          HH11      ARG  10  -5.512   7.790  -1.364
   89   HH12  ARG  10          HH12      ARG  10  -5.780   8.901  -0.066
   90   HH21  ARG  10          HH21      ARG  10  -5.512   6.496   2.449
   91   HH22  ARG  10          HH22      ARG  10  -5.786   8.168   2.095
   92    H    LEU  11           H        LEU  11  -3.431   3.738  -0.466
   93    HA   LEU  11           HA       LEU  11  -1.880   5.282   1.223
   94    HB2  LEU  11           HB2      LEU  11  -3.846   4.460   2.089
   95    HB3  LEU  11           HB3      LEU  11  -3.577   2.864   1.418
   96    HG   LEU  11           HG       LEU  11  -1.628   2.851   3.267
   97   HD11  LEU  11          HD11      LEU  11  -1.949   4.171   5.067
   98   HD12  LEU  11          HD12      LEU  11  -3.705   4.155   4.902
   99   HD13  LEU  11          HD13      LEU  11  -2.732   5.226   3.891
  100   HD21  LEU  11          HD21      LEU  11  -3.083   1.507   4.603
  101   HD22  LEU  11          HD22      LEU  11  -3.479   1.235   2.905
  102   HD23  LEU  11          HD23      LEU  11  -4.513   2.264   3.899
  103    H    TRP  12           H        TRP  12  -1.736   1.749   1.112
  104    HA   TRP  12           HA       TRP  12   0.707   1.611   2.439
  105    HB2  TRP  12           HB2      TRP  12  -0.026  -0.436   2.795
  106    HB3  TRP  12           HB3      TRP  12  -1.294  -0.203   1.600
  107    HD1  TRP  12           HD1      TRP  12   1.762  -2.113   2.209
  108    HE1  TRP  12           HE1      TRP  12   2.335  -3.590   0.169
  109    HE3  TRP  12           HE3      TRP  12  -1.309   0.056  -0.942
  110    HZ2  TRP  12           HZ2      TRP  12   1.473  -3.739  -2.560
  111    HZ3  TRP  12           HZ3      TRP  12  -1.474  -0.737  -3.276
  112    HH2  TRP  12           HH2      TRP  12  -0.096  -2.594  -4.080
  113    H    ALA  13           H        ALA  13  -0.106   1.716  -0.905
  114    HA   ALA  13           HA       ALA  13   2.389   0.885  -1.827
  115    HB1  ALA  13           HB1      ALA  13   0.503   0.790  -3.307
  116    HB2  ALA  13           HB2      ALA  13   1.717   1.869  -3.998
  117    HB3  ALA  13           HB3      ALA  13   0.293   2.537  -3.200
  118    H    LEU  14           H        LEU  14   1.026   4.134  -1.353
  119    HA   LEU  14           HA       LEU  14   3.282   5.594  -2.121
  120    HB2  LEU  14           HB2      LEU  14   0.939   6.056  -0.391
  121    HB3  LEU  14           HB3      LEU  14   2.348   7.002   0.050
  122    HG   LEU  14           HG       LEU  14   2.442   7.880  -2.274
  123   HD11  LEU  14          HD11      LEU  14  -0.257   6.589  -2.611
  124   HD12  LEU  14          HD12      LEU  14   1.236   5.937  -3.285
  125   HD13  LEU  14          HD13      LEU  14   0.651   7.518  -3.803
  126   HD21  LEU  14          HD21      LEU  14   1.436   9.346  -0.780
  127   HD22  LEU  14          HD22      LEU  14   0.036   8.300  -0.541
  128   HD23  LEU  14          HD23      LEU  14   0.228   9.185  -2.055
  129    H    SER  15           H        SER  15   2.322   4.294   1.033
  130    HA   SER  15           HA       SER  15   4.594   4.873   2.530
  131    HB2  SER  15           HB2      SER  15   2.782   2.440   2.510
  132    HB3  SER  15           HB3      SER  15   3.969   2.766   3.778
  133    HG   SER  15           HG       SER  15   2.625   4.130   4.635
  134    H    LEU  16           H        LEU  16   3.814   2.029   0.597
  135    HA   LEU  16           HA       LEU  16   6.021   0.469   0.767
  136    HB2  LEU  16           HB2      LEU  16   3.820   0.481  -0.790
  137    HB3  LEU  16           HB3      LEU  16   5.018   0.959  -1.980
  138    HG   LEU  16           HG       LEU  16   6.294  -1.074  -1.575
  139   HD11  LEU  16          HD11      LEU  16   6.132  -2.186   0.333
  140   HD12  LEU  16          HD12      LEU  16   4.462  -2.606  -0.044
  141   HD13  LEU  16          HD13      LEU  16   4.818  -1.128   0.848
  142   HD21  LEU  16          HD21      LEU  16   4.295  -2.724  -2.109
  143   HD22  LEU  16          HD22      LEU  16   4.852  -1.529  -3.281
  144   HD23  LEU  16          HD23      LEU  16   3.418  -1.206  -2.307
  145    H    ALA  17           H        ALA  17   5.662   3.455  -0.976
  146    HA   ALA  17           HA       ALA  17   7.957   3.477  -2.535
  147    HB1  ALA  17           HB1      ALA  17   6.120   5.232  -2.421
  148    HB2  ALA  17           HB2      ALA  17   7.768   5.823  -2.624
  149    HB3  ALA  17           HB3      ALA  17   6.993   5.899  -1.042
  150    H    HIS  18           H        HIS  18   7.513   4.212   0.854
  151    HA   HIS  18           HA       HIS  18   9.916   5.258   1.632
  152    HB2  HIS  18           HB2      HIS  18   9.501   4.021   3.798
  153    HB3  HIS  18           HB3      HIS  18   8.175   5.029   3.228
  154    HD1  HIS  18           HD1      HIS  18   6.625   3.483   4.749
  155    HD2  HIS  18           HD2      HIS  18   8.329   1.587   1.429
  156    HE1  HIS  18           HE1      HIS  18   5.268   1.409   4.354
  157    HE2  HIS  18           HE2      HIS  18   6.496   0.153   2.566
  158    H    ALA  19           H        ALA  19   9.172   1.943   2.232
  159    HA   ALA  19           HA       ALA  19  11.745   0.974   2.578
  160    HB1  ALA  19           HB1      ALA  19  10.582  -1.262   1.793
  161    HB2  ALA  19           HB2      ALA  19   9.119  -0.287   1.941
  162    HB3  ALA  19           HB3      ALA  19  10.170  -0.519   3.338
  163    H    GLN  20           H        GLN  20   9.930   1.741  -0.277
  164    HA   GLN  20           HA       GLN  20  11.555   0.236  -2.011
  165    HB2  GLN  20           HB2      GLN  20   9.717   2.546  -2.585
  166    HB3  GLN  20           HB3      GLN  20  10.560   1.644  -3.830
  167    HG2  GLN  20           HG2      GLN  20   8.130   1.036  -2.418
  168    HG3  GLN  20           HG3      GLN  20   8.744   0.397  -3.932
  169   HE21  GLN  20          HE21      GLN  20   8.896   0.069  -0.435
  170   HE22  GLN  20          HE22      GLN  20   9.360  -1.595  -0.423
  171    H    LEU  21           H        LEU  21  11.489   3.440  -0.738
  172    HA   LEU  21           HA       LEU  21  13.758   4.330  -2.345
  173    HB2  LEU  21           HB2      LEU  21  13.484   6.429  -0.891
  174    HB3  LEU  21           HB3      LEU  21  12.231   6.057  -2.059
  175    HG   LEU  21           HG       LEU  21  11.049   4.905  -0.054
  176   HD11  LEU  21          HD11      LEU  21  11.713   5.298   2.050
  177   HD12  LEU  21          HD12      LEU  21  12.307   6.919   1.672
  178   HD13  LEU  21          HD13      LEU  21  13.292   5.507   1.292
  179   HD21  LEU  21          HD21      LEU  21  10.970   7.791   0.398
  180   HD22  LEU  21          HD22      LEU  21   9.682   6.664  -0.028
  181   HD23  LEU  21          HD23      LEU  21  10.752   7.295  -1.280
  182    H    SER  22           H        SER  22  13.573   2.385   0.254
  183    HA   SER  22           HA       SER  22  16.161   3.339   1.272
  184    HB2  SER  22           HB2      SER  22  14.168   3.903   2.784
  185    HB3  SER  22           HB3      SER  22  14.081   2.171   3.110
  186    HG   SER  22           HG       SER  22  15.382   3.062   4.663
  187    H    SER  23           H        SER  23  14.306   0.709   0.105
  188    HA   SER  23           HA       SER  23  16.433  -1.053  -0.013
  189    HB2  SER  23           HB2      SER  23  15.561  -0.880   2.638
  190    HB3  SER  23           HB3      SER  23  14.808  -2.353   2.031
  191    HG   SER  23           HG       SER  23  17.569  -1.700   1.965
  192    H    LYS  24           H        LYS  24  15.010  -0.724  -1.952
  193    HA   LYS  24           HA       LYS  24  12.550  -2.191  -1.927
  194    HB2  LYS  24           HB2      LYS  24  12.155  -1.312  -4.072
  195    HB3  LYS  24           HB3      LYS  24  12.982  -0.041  -3.186
  196    HG2  LYS  24           HG2      LYS  24  14.480   0.090  -4.804
  197    HG3  LYS  24           HG3      LYS  24  14.980  -1.566  -4.458
  198    HD2  LYS  24           HD2      LYS  24  14.389  -1.820  -6.644
  199    HD3  LYS  24           HD3      LYS  24  12.816  -2.113  -5.900
  200    HE2  LYS  24           HE2      LYS  24  12.570   0.488  -6.142
  201    HE3  LYS  24           HE3      LYS  24  13.804   0.279  -7.384
  202    HZ1  LYS  24           HZ1      LYS  24  11.260   0.108  -7.941
  203    HZ2  LYS  24           HZ2      LYS  24  11.477  -1.496  -7.446
  204    HZ3  LYS  24           HZ3      LYS  24  12.393  -0.873  -8.724
  205    H    LYS  25           H        LYS  25  15.280  -3.529  -1.625
  206    HA   LYS  25           HA       LYS  25  16.297  -5.461  -2.246
  207    HB2  LYS  25           HB2      LYS  25  13.439  -5.855  -2.866
  208    HB3  LYS  25           HB3      LYS  25  14.539  -6.964  -3.675
  209    HG2  LYS  25           HG2      LYS  25  15.288  -6.753  -0.929
  210    HG3  LYS  25           HG3      LYS  25  13.559  -7.090  -1.039
  211    HD2  LYS  25           HD2      LYS  25  14.436  -9.220  -1.067
  212    HD3  LYS  25           HD3      LYS  25  14.319  -8.875  -2.794
  213    HE2  LYS  25           HE2      LYS  25  16.729  -8.032  -2.597
  214    HE3  LYS  25           HE3      LYS  25  16.753  -8.851  -1.035
  215    HZ1  LYS  25           HZ1      LYS  25  17.432 -10.027  -3.316
  216    HZ2  LYS  25           HZ2      LYS  25  15.786 -10.420  -3.282
  217    HZ3  LYS  25           HZ3      LYS  25  16.791 -10.871  -1.997
  Start of MODEL    6
    1    H1   LYS   1           H1       LYS   1 -17.064   3.559   2.819
    2    H2   LYS   1           H2       LYS   1 -17.444   3.615   1.147
    3    H3   LYS   1           H3       LYS   1 -17.292   5.070   2.045
    4    HA   LYS   1           HA       LYS   1 -15.401   4.446   0.575
    5    HB2  LYS   1           HB2      LYS   1 -15.580   5.907   2.813
    6    HB3  LYS   1           HB3      LYS   1 -14.457   4.681   3.388
    7    HG2  LYS   1           HG2      LYS   1 -12.937   5.204   1.552
    8    HG3  LYS   1           HG3      LYS   1 -14.066   6.427   0.965
    9    HD2  LYS   1           HD2      LYS   1 -12.863   7.845   2.222
   10    HD3  LYS   1           HD3      LYS   1 -13.767   7.160   3.574
   11    HE2  LYS   1           HE2      LYS   1 -11.879   6.398   4.458
   12    HE3  LYS   1           HE3      LYS   1 -11.582   5.434   3.012
   13    HZ1  LYS   1           HZ1      LYS   1 -10.106   6.920   2.222
   14    HZ2  LYS   1           HZ2      LYS   1  -9.960   7.363   3.847
   15    HZ3  LYS   1           HZ3      LYS   1 -10.949   8.263   2.810
   16    H    LYS   2           H        LYS   2 -15.906   2.032   0.265
   17    HA   LYS   2           HA       LYS   2 -13.988   0.449   1.852
   18    HB2  LYS   2           HB2      LYS   2 -16.367  -0.680   0.367
   19    HB3  LYS   2           HB3      LYS   2 -15.364  -1.481   1.568
   20    HG2  LYS   2           HG2      LYS   2 -16.213   0.128   3.263
   21    HG3  LYS   2           HG3      LYS   2 -17.319   0.755   2.039
   22    HD2  LYS   2           HD2      LYS   2 -17.518  -2.100   2.123
   23    HD3  LYS   2           HD3      LYS   2 -17.692  -1.454   3.757
   24    HE2  LYS   2           HE2      LYS   2 -19.173  -0.053   1.617
   25    HE3  LYS   2           HE3      LYS   2 -19.732  -1.673   2.027
   26    HZ1  LYS   2           HZ1      LYS   2 -20.018  -1.012   4.295
   27    HZ2  LYS   2           HZ2      LYS   2 -20.826   0.106   3.314
   28    HZ3  LYS   2           HZ3      LYS   2 -19.334   0.507   4.002
   29    H    SER   3           H        SER   3 -14.304  -1.831  -0.048
   30    HA   SER   3           HA       SER   3 -13.172  -2.652  -1.859
   31    HB2  SER   3           HB2      SER   3 -14.850  -1.030  -2.975
   32    HB3  SER   3           HB3      SER   3 -13.471   0.054  -3.157
   33    HG   SER   3           HG       SER   3 -13.696  -2.590  -4.169
   34    H    HIS   4           H        HIS   4 -11.882  -1.047   0.304
   35    HA   HIS   4           HA       HIS   4  -9.869   0.595  -0.341
   36    HB2  HIS   4           HB2      HIS   4 -10.263  -1.448   1.721
   37    HB3  HIS   4           HB3      HIS   4  -8.566  -1.061   1.416
   38    HD1  HIS   4           HD1      HIS   4 -10.098  -0.257   4.051
   39    HD2  HIS   4           HD2      HIS   4  -9.496   2.220   0.761
   40    HE1  HIS   4           HE1      HIS   4 -10.340   2.087   4.923
   41    HE2  HIS   4           HE2      HIS   4  -9.843   3.571   2.946
   42    H    THR   5           H        THR   5  -9.914  -2.867  -0.982
   43    HA   THR   5           HA       THR   5  -7.454  -3.643  -1.490
   44    HB   THR   5           HB       THR   5  -9.972  -3.970  -2.985
   45    HG1  THR   5           HG1      THR   5  -9.229  -5.407  -1.328
   46   HG21  THR   5          HG21      THR   5  -7.294  -4.458  -4.159
   47   HG22  THR   5          HG22      THR   5  -8.656  -3.583  -4.852
   48   HG23  THR   5          HG23      THR   5  -8.734  -5.344  -4.683
   49    H    ALA   6           H        ALA   6  -9.235  -1.460  -3.634
   50    HA   ALA   6           HA       ALA   6  -6.870  -0.901  -5.201
   51    HB1  ALA   6           HB1      ALA   6  -8.257  -0.143  -6.794
   52    HB2  ALA   6           HB2      ALA   6  -9.234   0.762  -5.638
   53    HB3  ALA   6           HB3      ALA   6  -9.494  -0.970  -5.849
   54    H    SER   7           H        SER   7  -9.213   1.175  -3.686
   55    HA   SER   7           HA       SER   7  -7.799   3.534  -3.565
   56    HB2  SER   7           HB2      SER   7  -9.572   2.525  -1.334
   57    HB3  SER   7           HB3      SER   7  -9.207   4.207  -1.717
   58    HG   SER   7           HG       SER   7 -11.062   3.956  -2.750
   59    H    TYR   8           H        TYR   8  -7.872   1.113  -0.967
   60    HA   TYR   8           HA       TYR   8  -6.024   2.263   0.710
   61    HB2  TYR   8           HB2      TYR   8  -6.152   0.317   1.835
   62    HB3  TYR   8           HB3      TYR   8  -7.341  -0.133   0.627
   63    HD1  TYR   8           HD1      TYR   8  -3.593  -0.035   0.765
   64    HD2  TYR   8           HD2      TYR   8  -7.082  -2.308  -0.159
   65    HE1  TYR   8           HE1      TYR   8  -2.198  -1.921   0.150
   66    HE2  TYR   8           HE2      TYR   8  -5.696  -4.196  -0.765
   67    HH   TYR   8           HH       TYR   8  -2.999  -4.305  -1.662
   68    H    LEU   9           H        LEU   9  -5.419   0.160  -2.088
   69    HA   LEU   9           HA       LEU   9  -2.794  -0.371  -1.939
   70    HB2  LEU   9           HB2      LEU   9  -3.064  -0.998  -4.055
   71    HB3  LEU   9           HB3      LEU   9  -4.687  -0.357  -3.950
   72    HG   LEU   9           HG       LEU   9  -3.617   1.875  -4.679
   73   HD11  LEU   9          HD11      LEU   9  -1.545   0.022  -5.800
   74   HD12  LEU   9          HD12      LEU   9  -1.308   0.939  -4.310
   75   HD13  LEU   9          HD13      LEU   9  -1.576   1.786  -5.836
   76   HD21  LEU   9          HD21      LEU   9  -4.397   1.444  -6.757
   77   HD22  LEU   9          HD22      LEU   9  -4.975  -0.033  -5.985
   78   HD23  LEU   9          HD23      LEU   9  -3.472  -0.050  -6.911
   79    H    ARG  10           H        ARG  10  -4.077   2.799  -3.014
   80    HA   ARG  10           HA       ARG  10  -1.606   3.910  -3.522
   81    HB2  ARG  10           HB2      ARG  10  -2.695   5.847  -3.899
   82    HB3  ARG  10           HB3      ARG  10  -4.119   4.831  -3.723
   83    HG2  ARG  10           HG2      ARG  10  -2.935   6.246  -1.368
   84    HG3  ARG  10           HG3      ARG  10  -4.081   7.031  -2.466
   85    HD2  ARG  10           HD2      ARG  10  -5.770   5.555  -1.977
   86    HD3  ARG  10           HD3      ARG  10  -4.630   4.316  -1.450
   87    HE   ARG  10           HE       ARG  10  -5.053   5.052   0.641
   88   HH11  ARG  10          HH11      ARG  10  -5.357   7.811  -1.478
   89   HH12  ARG  10          HH12      ARG  10  -5.611   8.930  -0.184
   90   HH21  ARG  10          HH21      ARG  10  -5.404   6.526   2.338
   91   HH22  ARG  10          HH22      ARG  10  -5.645   8.202   1.978
   92    H    LEU  11           H        LEU  11  -3.398   3.660  -0.597
   93    HA   LEU  11           HA       LEU  11  -1.888   5.145   1.176
   94    HB2  LEU  11           HB2      LEU  11  -3.871   4.324   1.983
   95    HB3  LEU  11           HB3      LEU  11  -3.626   2.757   1.242
   96    HG   LEU  11           HG       LEU  11  -1.714   2.619   3.134
   97   HD11  LEU  11          HD11      LEU  11  -3.892   4.316   4.350
   98   HD12  LEU  11          HD12      LEU  11  -2.233   4.832   4.045
   99   HD13  LEU  11          HD13      LEU  11  -2.558   3.554   5.217
  100   HD21  LEU  11          HD21      LEU  11  -3.230   1.242   4.372
  101   HD22  LEU  11          HD22      LEU  11  -3.568   1.044   2.650
  102   HD23  LEU  11          HD23      LEU  11  -4.625   2.045   3.648
  103    H    TRP  12           H        TRP  12  -1.756   1.614   0.950
  104    HA   TRP  12           HA       TRP  12   0.643   1.423   2.347
  105    HB2  TRP  12           HB2      TRP  12  -0.092  -0.643   2.588
  106    HB3  TRP  12           HB3      TRP  12  -1.321  -0.360   1.365
  107    HD1  TRP  12           HD1      TRP  12   1.733  -2.278   1.982
  108    HE1  TRP  12           HE1      TRP  12   2.377  -3.658  -0.105
  109    HE3  TRP  12           HE3      TRP  12  -1.274  -0.004  -1.153
  110    HZ2  TRP  12           HZ2      TRP  12   1.590  -3.698  -2.862
  111    HZ3  TRP  12           HZ3      TRP  12  -1.371  -0.693  -3.524
  112    HH2  TRP  12           HH2      TRP  12   0.049  -2.502  -4.372
  113    H    ALA  13           H        ALA  13  -0.067   1.674  -1.012
  114    HA   ALA  13           HA       ALA  13   2.462   0.896  -1.889
  115    HB1  ALA  13           HB1      ALA  13   0.532   0.902  -3.383
  116    HB2  ALA  13           HB2      ALA  13   1.860   1.857  -4.045
  117    HB3  ALA  13           HB3      ALA  13   0.481   2.663  -3.296
  118    H    LEU  14           H        LEU  14   1.066   4.112  -1.294
  119    HA   LEU  14           HA       LEU  14   3.325   5.620  -1.949
  120    HB2  LEU  14           HB2      LEU  14   0.873   6.050  -0.519
  121    HB3  LEU  14           HB3      LEU  14   2.188   6.724   0.422
  122    HG   LEU  14           HG       LEU  14   2.600   7.567  -2.244
  123   HD11  LEU  14          HD11      LEU  14   0.638   8.245  -3.110
  124   HD12  LEU  14          HD12      LEU  14  -0.060   8.602  -1.531
  125   HD13  LEU  14          HD13      LEU  14  -0.018   6.941  -2.120
  126   HD21  LEU  14          HD21      LEU  14   1.755   9.785  -1.043
  127   HD22  LEU  14          HD22      LEU  14   3.327   9.064  -0.695
  128   HD23  LEU  14          HD23      LEU  14   1.965   8.774   0.387
  129    H    SER  15           H        SER  15   2.326   4.160   1.122
  130    HA   SER  15           HA       SER  15   4.576   4.692   2.679
  131    HB2  SER  15           HB2      SER  15   2.746   2.277   2.522
  132    HB3  SER  15           HB3      SER  15   3.939   2.506   3.806
  133    HG   SER  15           HG       SER  15   2.822   4.585   4.170
  134    H    LEU  16           H        LEU  16   3.835   1.878   0.678
  135    HA   LEU  16           HA       LEU  16   6.052   0.344   0.819
  136    HB2  LEU  16           HB2      LEU  16   3.862   0.481  -0.823
  137    HB3  LEU  16           HB3      LEU  16   5.169   0.816  -1.948
  138    HG   LEU  16           HG       LEU  16   5.047  -1.616  -0.163
  139   HD11  LEU  16          HD11      LEU  16   3.353  -1.215  -2.184
  140   HD12  LEU  16          HD12      LEU  16   4.029  -2.798  -1.802
  141   HD13  LEU  16          HD13      LEU  16   4.733  -1.828  -3.095
  142   HD21  LEU  16          HD21      LEU  16   6.780  -1.164  -2.575
  143   HD22  LEU  16          HD22      LEU  16   6.915  -2.421  -1.346
  144   HD23  LEU  16          HD23      LEU  16   7.303  -0.749  -0.943
  145    H    ALA  17           H        ALA  17   5.713   3.402  -0.806
  146    HA   ALA  17           HA       ALA  17   8.016   3.479  -2.359
  147    HB1  ALA  17           HB1      ALA  17   7.053   5.858  -0.803
  148    HB2  ALA  17           HB2      ALA  17   6.153   5.217  -2.177
  149    HB3  ALA  17           HB3      ALA  17   7.797   5.813  -2.401
  150    H    HIS  18           H        HIS  18   7.535   4.273   1.030
  151    HA   HIS  18           HA       HIS  18   9.894   5.287   1.893
  152    HB2  HIS  18           HB2      HIS  18   9.508   3.950   3.995
  153    HB3  HIS  18           HB3      HIS  18   8.165   4.952   3.457
  154    HD1  HIS  18           HD1      HIS  18   6.622   3.363   4.902
  155    HD2  HIS  18           HD2      HIS  18   8.390   1.544   1.575
  156    HE1  HIS  18           HE1      HIS  18   5.304   1.273   4.464
  157    HE2  HIS  18           HE2      HIS  18   6.558   0.073   2.657
  158    H    ALA  19           H        ALA  19   9.197   1.904   2.004
  159    HA   ALA  19           HA       ALA  19  11.852   1.042   2.488
  160    HB1  ALA  19           HB1      ALA  19  10.792  -1.221   1.715
  161    HB2  ALA  19           HB2      ALA  19   9.274  -0.322   1.783
  162    HB3  ALA  19           HB3      ALA  19  10.266  -0.494   3.233
  163    H    GLN  20           H        GLN  20   9.875   1.749  -0.229
  164    HA   GLN  20           HA       GLN  20  11.315   0.431  -2.196
  165    HB2  GLN  20           HB2      GLN  20   9.017   1.866  -2.109
  166    HB3  GLN  20           HB3      GLN  20  10.079   2.979  -2.951
  167    HG2  GLN  20           HG2      GLN  20  10.300   1.641  -4.746
  168    HG3  GLN  20           HG3      GLN  20  10.031   0.169  -3.819
  169   HE21  GLN  20          HE21      GLN  20   7.671   0.888  -2.539
  170   HE22  GLN  20          HE22      GLN  20   6.405   0.986  -3.709
  171    H    LEU  21           H        LEU  21  11.581   3.475  -0.627
  172    HA   LEU  21           HA       LEU  21  13.706   4.434  -2.390
  173    HB2  LEU  21           HB2      LEU  21  13.533   6.442  -0.745
  174    HB3  LEU  21           HB3      LEU  21  12.265   6.168  -1.928
  175    HG   LEU  21           HG       LEU  21  11.310   4.745   0.161
  176   HD11  LEU  21          HD11      LEU  21  11.696   5.716   2.213
  177   HD12  LEU  21          HD12      LEU  21  12.430   7.159   1.503
  178   HD13  LEU  21          HD13      LEU  21  13.297   5.618   1.478
  179   HD21  LEU  21          HD21      LEU  21  10.694   7.631   0.188
  180   HD22  LEU  21          HD22      LEU  21   9.619   6.231   0.192
  181   HD23  LEU  21          HD23      LEU  21  10.404   6.734  -1.304
  182    H    SER  22           H        SER  22  13.601   2.524   0.347
  183    HA   SER  22           HA       SER  22  16.368   3.272   0.995
  184    HB2  SER  22           HB2      SER  22  14.058   3.026   2.889
  185    HB3  SER  22           HB3      SER  22  15.692   2.658   3.442
  186    HG   SER  22           HG       SER  22  16.273   4.781   2.640
  187    H    SER  23           H        SER  23  14.366   0.850  -0.038
  188    HA   SER  23           HA       SER  23  16.252  -1.158   0.012
  189    HB2  SER  23           HB2      SER  23  15.203  -0.776   2.629
  190    HB3  SER  23           HB3      SER  23  14.558  -2.302   2.027
  191    HG   SER  23           HG       SER  23  16.545  -3.118   1.900
  192    H    LYS  24           H        LYS  24  14.483  -0.355  -1.792
  193    HA   LYS  24           HA       LYS  24  12.001  -1.582  -1.885
  194    HB2  LYS  24           HB2      LYS  24  11.911  -0.905  -4.097
  195    HB3  LYS  24           HB3      LYS  24  13.101   0.190  -3.406
  196    HG2  LYS  24           HG2      LYS  24  14.907  -1.053  -4.370
  197    HG3  LYS  24           HG3      LYS  24  13.803  -2.313  -4.923
  198    HD2  LYS  24           HD2      LYS  24  13.744  -1.193  -6.857
  199    HD3  LYS  24           HD3      LYS  24  12.720  -0.032  -6.012
  200    HE2  LYS  24           HE2      LYS  24  14.764   1.220  -5.368
  201    HE3  LYS  24           HE3      LYS  24  15.714   0.103  -6.348
  202    HZ1  LYS  24           HZ1      LYS  24  13.849   0.891  -8.096
  203    HZ2  LYS  24           HZ2      LYS  24  15.365   1.625  -7.938
  204    HZ3  LYS  24           HZ3      LYS  24  14.016   2.297  -7.171
  205    H    LYS  25           H        LYS  25  11.551  -3.222  -3.833
  206    HA   LYS  25           HA       LYS  25  12.758  -5.693  -3.003
  207    HB2  LYS  25           HB2      LYS  25  10.569  -4.908  -4.877
  208    HB3  LYS  25           HB3      LYS  25  11.279  -6.509  -5.037
  209    HG2  LYS  25           HG2      LYS  25  10.275  -7.274  -3.190
  210    HG3  LYS  25           HG3      LYS  25  10.562  -5.781  -2.294
  211    HD2  LYS  25           HD2      LYS  25   8.566  -5.726  -4.496
  212    HD3  LYS  25           HD3      LYS  25   8.123  -6.549  -2.999
  213    HE2  LYS  25           HE2      LYS  25   9.317  -3.809  -2.907
  214    HE3  LYS  25           HE3      LYS  25   7.606  -4.013  -3.288
  215    HZ1  LYS  25           HZ1      LYS  25   8.541  -3.785  -0.813
  216    HZ2  LYS  25           HZ2      LYS  25   8.574  -5.469  -0.968
  217    HZ3  LYS  25           HZ3      LYS  25   7.124  -4.626  -1.191
  Start of MODEL    7
    1    H1   LYS   1           H1       LYS   1 -18.328   2.952   1.145
    2    H2   LYS   1           H2       LYS   1 -19.395   2.055   0.144
    3    H3   LYS   1           H3       LYS   1 -19.135   3.724  -0.156
    4    HA   LYS   1           HA       LYS   1 -17.886   1.677  -1.358
    5    HB2  LYS   1           HB2      LYS   1 -17.090   4.564  -0.946
    6    HB3  LYS   1           HB3      LYS   1 -16.338   3.511  -2.136
    7    HG2  LYS   1           HG2      LYS   1 -18.626   3.165  -3.119
    8    HG3  LYS   1           HG3      LYS   1 -19.190   4.452  -2.053
    9    HD2  LYS   1           HD2      LYS   1 -17.794   6.055  -3.099
   10    HD3  LYS   1           HD3      LYS   1 -16.890   4.809  -3.959
   11    HE2  LYS   1           HE2      LYS   1 -18.426   5.933  -5.467
   12    HE3  LYS   1           HE3      LYS   1 -18.900   4.249  -5.247
   13    HZ1  LYS   1           HZ1      LYS   1 -20.114   6.205  -3.457
   14    HZ2  LYS   1           HZ2      LYS   1 -20.785   4.824  -4.167
   15    HZ3  LYS   1           HZ3      LYS   1 -20.614   6.242  -5.072
   16    H    LYS   2           H        LYS   2 -16.780   0.141  -0.250
   17    HA   LYS   2           HA       LYS   2 -14.415   1.039   1.276
   18    HB2  LYS   2           HB2      LYS   2 -16.230  -1.332   1.718
   19    HB3  LYS   2           HB3      LYS   2 -14.633  -1.218   2.442
   20    HG2  LYS   2           HG2      LYS   2 -15.272   0.342   3.943
   21    HG3  LYS   2           HG3      LYS   2 -16.419   1.098   2.837
   22    HD2  LYS   2           HD2      LYS   2 -17.160  -1.621   3.601
   23    HD3  LYS   2           HD3      LYS   2 -17.066  -0.510   4.969
   24    HE2  LYS   2           HE2      LYS   2 -19.310  -0.528   4.059
   25    HE3  LYS   2           HE3      LYS   2 -18.558   1.043   3.789
   26    HZ1  LYS   2           HZ1      LYS   2 -19.448  -0.925   1.878
   27    HZ2  LYS   2           HZ2      LYS   2 -17.919  -0.286   1.542
   28    HZ3  LYS   2           HZ3      LYS   2 -19.250   0.744   1.699
   29    H    SER   3           H        SER   3 -14.212   0.800  -1.441
   30    HA   SER   3           HA       SER   3 -13.227  -1.824  -2.150
   31    HB2  SER   3           HB2      SER   3 -13.579   0.788  -3.555
   32    HB3  SER   3           HB3      SER   3 -12.411  -0.356  -4.215
   33    HG   SER   3           HG       SER   3 -14.364  -0.807  -5.153
   34    H    HIS   4           H        HIS   4 -11.958  -0.521   0.090
   35    HA   HIS   4           HA       HIS   4  -9.669   0.814  -0.205
   36    HB2  HIS   4           HB2      HIS   4 -10.499  -1.361   1.623
   37    HB3  HIS   4           HB3      HIS   4  -8.789  -0.928   1.622
   38    HD1  HIS   4           HD1      HIS   4 -10.734  -0.334   4.028
   39    HD2  HIS   4           HD2      HIS   4  -9.677   2.375   1.047
   40    HE1  HIS   4           HE1      HIS   4 -11.159   1.943   5.008
   41    HE2  HIS   4           HE2      HIS   4 -10.462   3.568   3.212
   42    H    THR   5           H        THR   5 -10.168  -2.504  -1.143
   43    HA   THR   5           HA       THR   5  -7.782  -3.647  -1.472
   44    HB   THR   5           HB       THR   5  -8.682  -4.881  -3.181
   45    HG1  THR   5           HG1      THR   5 -10.250  -2.815  -4.239
   46   HG21  THR   5          HG21      THR   5 -10.390  -4.479  -1.341
   47   HG22  THR   5          HG22      THR   5 -10.950  -5.194  -2.857
   48   HG23  THR   5          HG23      THR   5 -11.220  -3.475  -2.536
   49    H    ALA   6           H        ALA   6  -9.112  -1.306  -3.730
   50    HA   ALA   6           HA       ALA   6  -6.506  -0.835  -4.891
   51    HB1  ALA   6           HB1      ALA   6  -8.776  -1.064  -6.156
   52    HB2  ALA   6           HB2      ALA   6  -7.552   0.077  -6.711
   53    HB3  ALA   6           HB3      ALA   6  -8.920   0.648  -5.758
   54    H    SER   7           H        SER   7  -9.077   0.991  -3.384
   55    HA   SER   7           HA       SER   7  -7.848   3.505  -3.276
   56    HB2  SER   7           HB2      SER   7  -9.497   2.476  -0.985
   57    HB3  SER   7           HB3      SER   7  -9.426   4.109  -1.642
   58    HG   SER   7           HG       SER   7 -11.010   2.027  -2.359
   59    H    TYR   8           H        TYR   8  -7.869   1.101  -0.666
   60    HA   TYR   8           HA       TYR   8  -6.029   2.339   0.979
   61    HB2  TYR   8           HB2      TYR   8  -6.118   0.423   2.193
   62    HB3  TYR   8           HB3      TYR   8  -7.392  -0.014   1.066
   63    HD1  TYR   8           HD1      TYR   8  -3.639  -0.070   0.926
   64    HD2  TYR   8           HD2      TYR   8  -7.285  -2.234   0.444
   65    HE1  TYR   8           HE1      TYR   8  -2.376  -2.031   0.276
   66    HE2  TYR   8           HE2      TYR   8  -6.020  -4.211  -0.221
   67    HH   TYR   8           HH       TYR   8  -2.587  -4.419   0.127
   68    H    LEU   9           H        LEU   9  -5.515   0.166  -1.768
   69    HA   LEU   9           HA       LEU   9  -2.899  -0.426  -1.673
   70    HB2  LEU   9           HB2      LEU   9  -3.250  -1.076  -3.778
   71    HB3  LEU   9           HB3      LEU   9  -4.844  -0.368  -3.651
   72    HG   LEU   9           HG       LEU   9  -3.739   1.807  -4.441
   73   HD11  LEU   9          HD11      LEU   9  -1.688   1.714  -5.539
   74   HD12  LEU   9          HD12      LEU   9  -1.682  -0.050  -5.571
   75   HD13  LEU   9          HD13      LEU   9  -1.434   0.805  -4.048
   76   HD21  LEU   9          HD21      LEU   9  -3.529   0.110  -6.758
   77   HD22  LEU   9          HD22      LEU   9  -4.744   1.325  -6.361
   78   HD23  LEU   9          HD23      LEU   9  -4.928  -0.329  -5.779
   79    H    ARG  10           H        ARG  10  -4.140   2.751  -2.798
   80    HA   ARG  10           HA       ARG  10  -1.667   3.816  -3.374
   81    HB2  ARG  10           HB2      ARG  10  -2.732   5.765  -3.746
   82    HB3  ARG  10           HB3      ARG  10  -4.165   4.773  -3.532
   83    HG2  ARG  10           HG2      ARG  10  -2.911   6.221  -1.233
   84    HG3  ARG  10           HG3      ARG  10  -4.096   6.979  -2.309
   85    HD2  ARG  10           HD2      ARG  10  -5.779   5.587  -1.670
   86    HD3  ARG  10           HD3      ARG  10  -4.654   4.279  -1.300
   87    HE   ARG  10           HE       ARG  10  -4.933   4.908   0.847
   88   HH11  ARG  10          HH11      ARG  10  -5.089   7.829  -1.067
   89   HH12  ARG  10          HH12      ARG  10  -5.111   8.872   0.310
   90   HH21  ARG  10          HH21      ARG  10  -4.984   6.288   2.650
   91   HH22  ARG  10          HH22      ARG  10  -5.058   8.002   2.416
   92    H    LEU  11           H        LEU  11  -3.385   3.625  -0.400
   93    HA   LEU  11           HA       LEU  11  -1.818   5.120   1.315
   94    HB2  LEU  11           HB2      LEU  11  -3.789   4.307   2.169
   95    HB3  LEU  11           HB3      LEU  11  -3.549   2.724   1.461
   96    HG   LEU  11           HG       LEU  11  -1.604   2.630   3.312
   97   HD11  LEU  11          HD11      LEU  11  -3.677   3.985   4.933
   98   HD12  LEU  11          HD12      LEU  11  -2.604   5.015   3.985
   99   HD13  LEU  11          HD13      LEU  11  -1.931   3.893   5.167
  100   HD21  LEU  11          HD21      LEU  11  -3.523   1.082   2.901
  101   HD22  LEU  11          HD22      LEU  11  -4.494   2.103   3.965
  102   HD23  LEU  11          HD23      LEU  11  -3.072   1.272   4.597
  103    H    TRP  12           H        TRP  12  -1.715   1.593   1.121
  104    HA   TRP  12           HA       TRP  12   0.737   1.392   2.435
  105    HB2  TRP  12           HB2      TRP  12  -0.044  -0.646   2.771
  106    HB3  TRP  12           HB3      TRP  12  -1.311  -0.370   1.586
  107    HD1  TRP  12           HD1      TRP  12   1.709  -2.353   2.151
  108    HE1  TRP  12           HE1      TRP  12   2.242  -3.812   0.088
  109    HE3  TRP  12           HE3      TRP  12  -1.341  -0.085  -0.948
  110    HZ2  TRP  12           HZ2      TRP  12   1.365  -3.905  -2.639
  111    HZ3  TRP  12           HZ3      TRP  12  -1.532  -0.837  -3.294
  112    HH2  TRP  12           HH2      TRP  12  -0.191  -2.711  -4.134
  113    H    ALA  13           H        ALA  13  -0.103   1.560  -0.896
  114    HA   ALA  13           HA       ALA  13   2.379   0.706  -1.844
  115    HB1  ALA  13           HB1      ALA  13   0.405   0.646  -3.267
  116    HB2  ALA  13           HB2      ALA  13   1.696   1.585  -4.017
  117    HB3  ALA  13           HB3      ALA  13   0.338   2.407  -3.247
  118    H    LEU  14           H        LEU  14   1.020   3.960  -1.381
  119    HA   LEU  14           HA       LEU  14   3.280   5.397  -2.185
  120    HB2  LEU  14           HB2      LEU  14   1.564   6.853  -1.756
  121    HB3  LEU  14           HB3      LEU  14   0.953   5.903  -0.416
  122    HG   LEU  14           HG       LEU  14   3.519   7.320   0.030
  123   HD11  LEU  14          HD11      LEU  14   2.555   9.165  -0.955
  124   HD12  LEU  14          HD12      LEU  14   2.023   9.337   0.718
  125   HD13  LEU  14          HD13      LEU  14   0.920   8.690  -0.497
  126   HD21  LEU  14          HD21      LEU  14   1.731   5.908   1.566
  127   HD22  LEU  14          HD22      LEU  14   1.334   7.586   1.940
  128   HD23  LEU  14          HD23      LEU  14   2.980   6.997   2.173
  129    H    SER  15           H        SER  15   2.323   4.089   0.964
  130    HA   SER  15           HA       SER  15   4.585   4.728   2.472
  131    HB2  SER  15           HB2      SER  15   2.769   2.297   2.480
  132    HB3  SER  15           HB3      SER  15   3.960   2.632   3.744
  133    HG   SER  15           HG       SER  15   2.278   3.635   4.580
  134    H    LEU  16           H        LEU  16   3.818   1.789   0.677
  135    HA   LEU  16           HA       LEU  16   6.023   0.253   0.894
  136    HB2  LEU  16           HB2      LEU  16   3.824   0.405  -0.817
  137    HB3  LEU  16           HB3      LEU  16   5.208   0.460  -1.898
  138    HG   LEU  16           HG       LEU  16   4.688  -1.699   0.148
  139   HD11  LEU  16          HD11      LEU  16   3.512  -1.303  -2.364
  140   HD12  LEU  16          HD12      LEU  16   3.462  -2.756  -1.367
  141   HD13  LEU  16          HD13      LEU  16   4.721  -2.568  -2.588
  142   HD21  LEU  16          HD21      LEU  16   6.511  -2.877  -1.069
  143   HD22  LEU  16          HD22      LEU  16   7.047  -1.443  -0.193
  144   HD23  LEU  16          HD23      LEU  16   6.834  -1.379  -1.943
  145    H    ALA  17           H        ALA  17   5.688   3.186  -0.941
  146    HA   ALA  17           HA       ALA  17   7.988   3.125  -2.506
  147    HB1  ALA  17           HB1      ALA  17   6.111   4.866  -2.467
  148    HB2  ALA  17           HB2      ALA  17   7.752   5.441  -2.765
  149    HB3  ALA  17           HB3      ALA  17   7.025   5.634  -1.169
  150    H    HIS  18           H        HIS  18   7.517   4.278   0.791
  151    HA   HIS  18           HA       HIS  18   9.863   5.347   1.562
  152    HB2  HIS  18           HB2      HIS  18   9.540   4.141   3.756
  153    HB3  HIS  18           HB3      HIS  18   8.180   5.101   3.188
  154    HD1  HIS  18           HD1      HIS  18   6.662   3.609   4.753
  155    HD2  HIS  18           HD2      HIS  18   8.406   1.559   1.552
  156    HE1  HIS  18           HE1      HIS  18   5.363   1.480   4.493
  157    HE2  HIS  18           HE2      HIS  18   6.618   0.154   2.776
  158    H    ALA  19           H        ALA  19   9.206   1.986   1.933
  159    HA   ALA  19           HA       ALA  19  11.866   1.167   2.446
  160    HB1  ALA  19           HB1      ALA  19  10.854  -1.150   2.006
  161    HB2  ALA  19           HB2      ALA  19   9.312  -0.308   1.816
  162    HB3  ALA  19           HB3      ALA  19  10.184  -0.225   3.350
  163    H    GLN  20           H        GLN  20   9.818   1.583  -0.314
  164    HA   GLN  20           HA       GLN  20  11.221   0.097  -2.153
  165    HB2  GLN  20           HB2      GLN  20   8.931   1.381  -2.276
  166    HB3  GLN  20           HB3      GLN  20   9.938   2.655  -2.941
  167    HG2  GLN  20           HG2      GLN  20  10.296   1.583  -4.836
  168    HG3  GLN  20           HG3      GLN  20  10.399   0.016  -4.042
  169   HE21  GLN  20          HE21      GLN  20   7.993  -0.024  -2.750
  170   HE22  GLN  20          HE22      GLN  20   6.711  -0.125  -3.904
  171    H    LEU  21           H        LEU  21  11.746   3.153  -0.703
  172    HA   LEU  21           HA       LEU  21  13.833   3.874  -2.646
  173    HB2  LEU  21           HB2      LEU  21  13.788   5.972  -0.960
  174    HB3  LEU  21           HB3      LEU  21  12.748   5.828  -2.365
  175    HG   LEU  21           HG       LEU  21  11.409   4.531  -0.261
  176   HD11  LEU  21          HD11      LEU  21  11.515   5.764   1.598
  177   HD12  LEU  21          HD12      LEU  21  11.875   7.258   0.726
  178   HD13  LEU  21          HD13      LEU  21  13.148   6.066   1.006
  179   HD21  LEU  21          HD21      LEU  21   9.878   6.548  -0.507
  180   HD22  LEU  21          HD22      LEU  21  10.154   5.538  -1.928
  181   HD23  LEU  21          HD23      LEU  21  11.000   7.080  -1.761
  182    H    SER  22           H        SER  22  13.369   3.264   0.804
  183    HA   SER  22           HA       SER  22  16.284   3.335   1.186
  184    HB2  SER  22           HB2      SER  22  14.826   4.718   2.698
  185    HB3  SER  22           HB3      SER  22  14.140   3.216   3.318
  186    HG   SER  22           HG       SER  22  15.761   3.358   4.661
  187    H    SER  23           H        SER  23  14.721   1.136  -0.091
  188    HA   SER  23           HA       SER  23  16.047  -1.031   1.192
  189    HB2  SER  23           HB2      SER  23  13.588  -0.410   2.340
  190    HB3  SER  23           HB3      SER  23  13.241  -1.782   1.287
  191    HG   SER  23           HG       SER  23  14.139  -2.972   2.752
  192    H    LYS  24           H        LYS  24  13.827   0.174  -1.194
  193    HA   LYS  24           HA       LYS  24  13.050  -0.640  -3.148
  194    HB2  LYS  24           HB2      LYS  24  15.954  -0.772  -2.912
  195    HB3  LYS  24           HB3      LYS  24  15.300  -1.641  -4.302
  196    HG2  LYS  24           HG2      LYS  24  14.273   0.367  -5.118
  197    HG3  LYS  24           HG3      LYS  24  14.695   1.221  -3.630
  198    HD2  LYS  24           HD2      LYS  24  16.916  -0.008  -5.155
  199    HD3  LYS  24           HD3      LYS  24  16.152   1.421  -5.855
  200    HE2  LYS  24           HE2      LYS  24  16.456   2.498  -3.567
  201    HE3  LYS  24           HE3      LYS  24  17.526   1.148  -3.196
  202    HZ1  LYS  24           HZ1      LYS  24  18.105   3.495  -4.619
  203    HZ2  LYS  24           HZ2      LYS  24  18.287   2.184  -5.674
  204    HZ3  LYS  24           HZ3      LYS  24  19.148   2.225  -4.218
  205    H    LYS  25           H        LYS  25  12.722  -2.580  -1.003
  206    HA   LYS  25           HA       LYS  25  12.985  -5.088  -2.536
  207    HB2  LYS  25           HB2      LYS  25  12.939  -6.222  -0.286
  208    HB3  LYS  25           HB3      LYS  25  14.384  -5.278  -0.620
  209    HG2  LYS  25           HG2      LYS  25  13.832  -3.641   0.906
  210    HG3  LYS  25           HG3      LYS  25  12.111  -4.034   0.862
  211    HD2  LYS  25           HD2      LYS  25  13.067  -4.754   2.969
  212    HD3  LYS  25           HD3      LYS  25  12.599  -6.163   2.014
  213    HE2  LYS  25           HE2      LYS  25  14.970  -6.324   1.241
  214    HE3  LYS  25           HE3      LYS  25  15.373  -5.043   2.383
  215    HZ1  LYS  25           HZ1      LYS  25  15.804  -7.277   3.264
  216    HZ2  LYS  25           HZ2      LYS  25  14.159  -7.650   3.126
  217    HZ3  LYS  25           HZ3      LYS  25  14.666  -6.438   4.192
  Start of MODEL    8
    1    H1   LYS   1           H1       LYS   1 -17.781   1.050  -0.796
    2    H2   LYS   1           H2       LYS   1 -18.169   2.604  -0.181
    3    H3   LYS   1           H3       LYS   1 -19.413   1.456  -0.462
    4    HA   LYS   1           HA       LYS   1 -18.799   1.734   1.878
    5    HB2  LYS   1           HB2      LYS   1 -18.242  -0.987   0.673
    6    HB3  LYS   1           HB3      LYS   1 -18.793  -0.667   2.309
    7    HG2  LYS   1           HG2      LYS   1 -20.730   0.554   0.846
    8    HG3  LYS   1           HG3      LYS   1 -20.296  -0.803  -0.197
    9    HD2  LYS   1           HD2      LYS   1 -20.580  -1.491   2.642
   10    HD3  LYS   1           HD3      LYS   1 -22.066  -0.928   1.875
   11    HE2  LYS   1           HE2      LYS   1 -20.677  -2.775   0.157
   12    HE3  LYS   1           HE3      LYS   1 -20.939  -3.489   1.746
   13    HZ1  LYS   1           HZ1      LYS   1 -22.812  -3.016  -0.334
   14    HZ2  LYS   1           HZ2      LYS   1 -23.311  -2.253   1.091
   15    HZ3  LYS   1           HZ3      LYS   1 -22.996  -3.916   1.086
   16    H    LYS   2           H        LYS   2 -16.437  -0.376   0.266
   17    HA   LYS   2           HA       LYS   2 -14.268   0.962   1.715
   18    HB2  LYS   2           HB2      LYS   2 -14.927  -1.976   1.795
   19    HB3  LYS   2           HB3      LYS   2 -13.303  -1.386   2.113
   20    HG2  LYS   2           HG2      LYS   2 -13.926  -0.339   4.079
   21    HG3  LYS   2           HG3      LYS   2 -15.630  -0.276   3.621
   22    HD2  LYS   2           HD2      LYS   2 -15.087  -2.976   3.635
   23    HD3  LYS   2           HD3      LYS   2 -14.131  -2.371   4.990
   24    HE2  LYS   2           HE2      LYS   2 -16.566  -1.069   5.240
   25    HE3  LYS   2           HE3      LYS   2 -17.002  -2.702   4.740
   26    HZ1  LYS   2           HZ1      LYS   2 -15.564  -3.527   6.565
   27    HZ2  LYS   2           HZ2      LYS   2 -16.901  -2.639   7.102
   28    HZ3  LYS   2           HZ3      LYS   2 -15.365  -1.933   7.091
   29    H    SER   3           H        SER   3 -14.259  -2.073  -0.141
   30    HA   SER   3           HA       SER   3 -12.994  -2.692  -1.951
   31    HB2  SER   3           HB2      SER   3 -14.709  -0.641  -2.739
   32    HB3  SER   3           HB3      SER   3 -13.141  -0.148  -3.375
   33    HG   SER   3           HG       SER   3 -14.424  -2.645  -3.801
   34    H    HIS   4           H        HIS   4 -11.800  -1.108   0.316
   35    HA   HIS   4           HA       HIS   4  -9.901   0.686  -0.340
   36    HB2  HIS   4           HB2      HIS   4 -10.211  -1.329   1.765
   37    HB3  HIS   4           HB3      HIS   4  -8.536  -0.854   1.478
   38    HD1  HIS   4           HD1      HIS   4 -10.188  -0.071   4.061
   39    HD2  HIS   4           HD2      HIS   4  -9.615   2.355   0.725
   40    HE1  HIS   4           HE1      HIS   4 -10.562   2.281   4.868
   41    HE2  HIS   4           HE2      HIS   4 -10.231   3.732   2.834
   42    H    THR   5           H        THR   5  -9.800  -2.762  -0.973
   43    HA   THR   5           HA       THR   5  -7.318  -3.475  -1.438
   44    HB   THR   5           HB       THR   5  -9.781  -3.811  -3.022
   45    HG1  THR   5           HG1      THR   5  -9.480  -5.848  -2.427
   46   HG21  THR   5          HG21      THR   5  -7.054  -4.257  -4.093
   47   HG22  THR   5          HG22      THR   5  -8.414  -3.427  -4.843
   48   HG23  THR   5          HG23      THR   5  -8.449  -5.187  -4.660
   49    H    ALA   6           H        ALA   6  -9.089  -1.374  -3.680
   50    HA   ALA   6           HA       ALA   6  -6.690  -0.722  -5.146
   51    HB1  ALA   6           HB1      ALA   6  -8.112  -0.270  -6.778
   52    HB2  ALA   6           HB2      ALA   6  -8.857   1.000  -5.808
   53    HB3  ALA   6           HB3      ALA   6  -9.440  -0.660  -5.687
   54    H    SER   7           H        SER   7  -9.122   1.322  -3.724
   55    HA   SER   7           HA       SER   7  -7.774   3.706  -3.533
   56    HB2  SER   7           HB2      SER   7  -9.539   2.648  -1.322
   57    HB3  SER   7           HB3      SER   7  -9.246   4.338  -1.738
   58    HG   SER   7           HG       SER   7 -11.263   3.274  -2.529
   59    H    TYR   8           H        TYR   8  -7.827   1.259  -0.957
   60    HA   TYR   8           HA       TYR   8  -6.011   2.471   0.736
   61    HB2  TYR   8           HB2      TYR   8  -6.158   0.555   1.903
   62    HB3  TYR   8           HB3      TYR   8  -7.322   0.062   0.688
   63    HD1  TYR   8           HD1      TYR   8  -3.581   0.196   0.922
   64    HD2  TYR   8           HD2      TYR   8  -7.023  -2.111  -0.083
   65    HE1  TYR   8           HE1      TYR   8  -2.157  -1.693   0.389
   66    HE2  TYR   8           HE2      TYR   8  -5.609  -4.000  -0.611
   67    HH   TYR   8           HH       TYR   8  -3.371  -4.551  -1.170
   68    H    LEU   9           H        LEU   9  -5.406   0.295  -2.003
   69    HA   LEU   9           HA       LEU   9  -2.794  -0.257  -1.852
   70    HB2  LEU   9           HB2      LEU   9  -3.074  -0.919  -3.958
   71    HB3  LEU   9           HB3      LEU   9  -4.687  -0.254  -3.865
   72    HG   LEU   9           HG       LEU   9  -3.583   1.950  -4.636
   73   HD11  LEU   9          HD11      LEU   9  -1.541   1.808  -5.782
   74   HD12  LEU   9          HD12      LEU   9  -1.543   0.045  -5.724
   75   HD13  LEU   9          HD13      LEU   9  -1.290   0.975  -4.246
   76   HD21  LEU   9          HD21      LEU   9  -4.440   1.494  -6.663
   77   HD22  LEU   9          HD22      LEU   9  -4.929  -0.028  -5.916
   78   HD23  LEU   9          HD23      LEU   9  -3.445   0.052  -6.867
   79    H    ARG  10           H        ARG  10  -4.033   2.897  -3.008
   80    HA   ARG  10           HA       ARG  10  -1.540   3.968  -3.503
   81    HB2  ARG  10           HB2      ARG  10  -2.624   5.868  -4.001
   82    HB3  ARG  10           HB3      ARG  10  -4.063   4.891  -3.744
   83    HG2  ARG  10           HG2      ARG  10  -2.815   6.419  -1.499
   84    HG3  ARG  10           HG3      ARG  10  -3.967   7.156  -2.626
   85    HD2  ARG  10           HD2      ARG  10  -5.683   5.790  -1.986
   86    HD3  ARG  10           HD3      ARG  10  -4.572   4.512  -1.493
   87    HE   ARG  10           HE       ARG  10  -4.946   5.281   0.596
   88   HH11  ARG  10          HH11      ARG  10  -4.972   8.071  -1.511
   89   HH12  ARG  10          HH12      ARG  10  -4.972   9.206  -0.208
   90   HH21  ARG  10          HH21      ARG  10  -4.948   6.782   2.306
   91   HH22  ARG  10          HH22      ARG  10  -4.961   8.478   1.955
   92    H    LEU  11           H        LEU  11  -3.380   3.801  -0.599
   93    HA   LEU  11           HA       LEU  11  -1.874   5.328   1.153
   94    HB2  LEU  11           HB2      LEU  11  -3.874   4.578   1.975
   95    HB3  LEU  11           HB3      LEU  11  -3.673   2.993   1.262
   96    HG   LEU  11           HG       LEU  11  -1.792   2.797   3.160
   97   HD11  LEU  11          HD11      LEU  11  -3.372   3.885   5.139
   98   HD12  LEU  11          HD12      LEU  11  -3.361   5.135   3.894
   99   HD13  LEU  11          HD13      LEU  11  -1.840   4.535   4.556
  100   HD21  LEU  11          HD21      LEU  11  -3.463   1.633   4.507
  101   HD22  LEU  11          HD22      LEU  11  -3.636   1.265   2.790
  102   HD23  LEU  11          HD23      LEU  11  -4.750   2.392   3.568
  103    H    TRP  12           H        TRP  12  -1.781   1.790   0.994
  104    HA   TRP  12           HA       TRP  12   0.619   1.628   2.424
  105    HB2  TRP  12           HB2      TRP  12  -0.119  -0.433   2.745
  106    HB3  TRP  12           HB3      TRP  12  -1.363  -0.185   1.528
  107    HD1  TRP  12           HD1      TRP  12   1.658  -2.120   2.175
  108    HE1  TRP  12           HE1      TRP  12   2.290  -3.556   0.126
  109    HE3  TRP  12           HE3      TRP  12  -1.300   0.130  -1.021
  110    HZ2  TRP  12           HZ2      TRP  12   1.526  -3.639  -2.629
  111    HZ3  TRP  12           HZ3      TRP  12  -1.384  -0.607  -3.377
  112    HH2  TRP  12           HH2      TRP  12   0.016  -2.453  -4.177
  113    H    ALA  13           H        ALA  13  -0.097   1.804  -0.925
  114    HA   ALA  13           HA       ALA  13   2.402   0.937  -1.819
  115    HB1  ALA  13           HB1      ALA  13   0.473   0.940  -3.295
  116    HB2  ALA  13           HB2      ALA  13   1.803   1.868  -3.987
  117    HB3  ALA  13           HB3      ALA  13   0.438   2.703  -3.244
  118    H    LEU  14           H        LEU  14   1.101   4.261  -1.527
  119    HA   LEU  14           HA       LEU  14   3.480   5.547  -2.191
  120    HB2  LEU  14           HB2      LEU  14   2.661   7.496  -1.103
  121    HB3  LEU  14           HB3      LEU  14   1.273   6.684  -1.796
  122    HG   LEU  14           HG       LEU  14   1.090   5.664   0.637
  123   HD11  LEU  14          HD11      LEU  14   2.809   6.506   1.865
  124   HD12  LEU  14          HD12      LEU  14   1.629   7.789   2.128
  125   HD13  LEU  14          HD13      LEU  14   2.899   7.993   0.921
  126   HD21  LEU  14          HD21      LEU  14   0.094   8.358   0.804
  127   HD22  LEU  14          HD22      LEU  14  -0.791   6.846   0.608
  128   HD23  LEU  14          HD23      LEU  14  -0.172   7.693  -0.808
  129    H    SER  15           H        SER  15   2.324   4.238   0.898
  130    HA   SER  15           HA       SER  15   4.543   4.911   2.494
  131    HB2  SER  15           HB2      SER  15   2.651   2.542   2.482
  132    HB3  SER  15           HB3      SER  15   3.886   2.762   3.726
  133    HG   SER  15           HG       SER  15   1.889   4.683   3.110
  134    H    LEU  16           H        LEU  16   3.786   1.977   0.684
  135    HA   LEU  16           HA       LEU  16   5.982   0.434   0.901
  136    HB2  LEU  16           HB2      LEU  16   3.800   0.522  -0.761
  137    HB3  LEU  16           HB3      LEU  16   5.123   0.762  -1.891
  138    HG   LEU  16           HG       LEU  16   6.177  -1.335  -0.966
  139   HD11  LEU  16          HD11      LEU  16   4.027  -2.718   0.025
  140   HD12  LEU  16          HD12      LEU  16   3.847  -1.133   0.773
  141   HD13  LEU  16          HD13      LEU  16   5.345  -2.041   0.981
  142   HD21  LEU  16          HD21      LEU  16   5.277  -2.325  -2.739
  143   HD22  LEU  16          HD22      LEU  16   4.117  -1.001  -2.844
  144   HD23  LEU  16          HD23      LEU  16   3.716  -2.453  -1.929
  145    H    ALA  17           H        ALA  17   5.686   3.379  -0.935
  146    HA   ALA  17           HA       ALA  17   7.987   3.365  -2.465
  147    HB1  ALA  17           HB1      ALA  17   7.792   5.691  -2.602
  148    HB2  ALA  17           HB2      ALA  17   7.102   5.816  -0.984
  149    HB3  ALA  17           HB3      ALA  17   6.144   5.139  -2.301
  150    H    HIS  18           H        HIS  18   7.539   4.331   0.880
  151    HA   HIS  18           HA       HIS  18   9.941   5.303   1.699
  152    HB2  HIS  18           HB2      HIS  18   9.490   4.138   3.861
  153    HB3  HIS  18           HB3      HIS  18   8.144   5.088   3.239
  154    HD1  HIS  18           HD1      HIS  18   6.579   3.588   4.739
  155    HD2  HIS  18           HD2      HIS  18   8.453   1.564   1.582
  156    HE1  HIS  18           HE1      HIS  18   5.283   1.467   4.405
  157    HE2  HIS  18           HE2      HIS  18   6.579   0.166   2.698
  158    H    ALA  19           H        ALA  19   9.050   1.985   1.411
  159    HA   ALA  19           HA       ALA  19  11.648   0.979   2.176
  160    HB1  ALA  19           HB1      ALA  19   9.411  -0.655   1.001
  161    HB2  ALA  19           HB2      ALA  19   9.398  -0.151   2.691
  162    HB3  ALA  19           HB3      ALA  19  10.700  -1.175   2.086
  163    H    GLN  20           H        GLN  20   9.742   1.718  -0.603
  164    HA   GLN  20           HA       GLN  20  11.305   0.311  -2.419
  165    HB2  GLN  20           HB2      GLN  20   9.694   2.794  -2.939
  166    HB3  GLN  20           HB3      GLN  20  10.323   1.718  -4.175
  167    HG2  GLN  20           HG2      GLN  20   8.019   1.404  -2.378
  168    HG3  GLN  20           HG3      GLN  20   8.191   0.983  -4.073
  169   HE21  GLN  20          HE21      GLN  20   8.799  -0.012  -0.793
  170   HE22  GLN  20          HE22      GLN  20   9.082  -1.681  -1.135
  171    H    LEU  21           H        LEU  21  11.653   3.158  -0.646
  172    HA   LEU  21           HA       LEU  21  13.891   4.104  -2.330
  173    HB2  LEU  21           HB2      LEU  21  13.647   6.176  -0.849
  174    HB3  LEU  21           HB3      LEU  21  12.392   5.863  -2.037
  175    HG   LEU  21           HG       LEU  21  11.353   4.589   0.102
  176   HD11  LEU  21          HD11      LEU  21  11.634   6.019   2.064
  177   HD12  LEU  21          HD12      LEU  21  12.881   6.927   1.207
  178   HD13  LEU  21          HD13      LEU  21  13.135   5.223   1.591
  179   HD21  LEU  21          HD21      LEU  21  10.606   6.606  -1.472
  180   HD22  LEU  21          HD22      LEU  21  10.838   7.488   0.037
  181   HD23  LEU  21          HD23      LEU  21   9.717   6.125  -0.028
  182    H    SER  22           H        SER  22  13.275   2.444   0.575
  183    HA   SER  22           HA       SER  22  16.036   2.975   1.450
  184    HB2  SER  22           HB2      SER  22  13.676   3.690   2.835
  185    HB3  SER  22           HB3      SER  22  14.398   2.347   3.719
  186    HG   SER  22           HG       SER  22  16.433   3.740   3.307
  187    H    SER  23           H        SER  23  14.264   0.654   0.137
  188    HA   SER  23           HA       SER  23  15.923  -1.444   0.965
  189    HB2  SER  23           HB2      SER  23  14.750  -1.323   3.106
  190    HB3  SER  23           HB3      SER  23  13.197  -1.462   2.284
  191    HG   SER  23           HG       SER  23  13.785  -3.545   1.631
  192    H    LYS  24           H        LYS  24  14.699  -0.287  -1.378
  193    HA   LYS  24           HA       LYS  24  12.604  -1.745  -2.415
  194    HB2  LYS  24           HB2      LYS  24  13.309  -0.978  -4.581
  195    HB3  LYS  24           HB3      LYS  24  13.584   0.294  -3.403
  196    HG2  LYS  24           HG2      LYS  24  15.829   0.226  -3.628
  197    HG3  LYS  24           HG3      LYS  24  15.858  -1.504  -3.958
  198    HD2  LYS  24           HD2      LYS  24  14.480  -0.083  -6.056
  199    HD3  LYS  24           HD3      LYS  24  16.097   0.579  -5.805
  200    HE2  LYS  24           HE2      LYS  24  17.125  -1.493  -6.229
  201    HE3  LYS  24           HE3      LYS  24  15.607  -2.374  -6.059
  202    HZ1  LYS  24           HZ1      LYS  24  16.085  -2.248  -8.354
  203    HZ2  LYS  24           HZ2      LYS  24  16.424  -0.592  -8.283
  204    HZ3  LYS  24           HZ3      LYS  24  14.837  -1.139  -8.080
  205    H    LYS  25           H        LYS  25  12.354  -3.732  -3.225
  206    HA   LYS  25           HA       LYS  25  14.729  -5.314  -3.894
  207    HB2  LYS  25           HB2      LYS  25  13.747  -7.263  -2.664
  208    HB3  LYS  25           HB3      LYS  25  14.301  -5.955  -1.627
  209    HG2  LYS  25           HG2      LYS  25  12.311  -6.311  -0.635
  210    HG3  LYS  25           HG3      LYS  25  11.745  -5.224  -1.904
  211    HD2  LYS  25           HD2      LYS  25  10.261  -7.049  -1.950
  212    HD3  LYS  25           HD3      LYS  25  11.362  -7.318  -3.302
  213    HE2  LYS  25           HE2      LYS  25  12.332  -9.126  -2.333
  214    HE3  LYS  25           HE3      LYS  25  12.136  -8.490  -0.700
  215    HZ1  LYS  25           HZ1      LYS  25  10.541 -10.364  -2.045
  216    HZ2  LYS  25           HZ2      LYS  25   9.591  -8.997  -1.733
  217    HZ3  LYS  25           HZ3      LYS  25  10.378  -9.790  -0.463
  Start of MODEL    9
    1    H1   LYS   1           H1       LYS   1 -13.768   4.565   4.344
    2    H2   LYS   1           H2       LYS   1 -14.950   3.383   4.732
    3    H3   LYS   1           H3       LYS   1 -15.429   4.989   4.367
    4    HA   LYS   1           HA       LYS   1 -15.865   4.081   2.410
    5    HB2  LYS   1           HB2      LYS   1 -12.883   4.589   2.307
    6    HB3  LYS   1           HB3      LYS   1 -13.919   4.434   0.893
    7    HG2  LYS   1           HG2      LYS   1 -15.259   6.348   2.172
    8    HG3  LYS   1           HG3      LYS   1 -13.644   6.666   2.809
    9    HD2  LYS   1           HD2      LYS   1 -13.597   7.964   0.921
   10    HD3  LYS   1           HD3      LYS   1 -12.970   6.448   0.270
   11    HE2  LYS   1           HE2      LYS   1 -14.612   7.246  -1.255
   12    HE3  LYS   1           HE3      LYS   1 -15.310   5.870  -0.402
   13    HZ1  LYS   1           HZ1      LYS   1 -16.438   7.465   1.079
   14    HZ2  LYS   1           HZ2      LYS   1 -16.917   7.623  -0.535
   15    HZ3  LYS   1           HZ3      LYS   1 -15.841   8.740   0.141
   16    H    LYS   2           H        LYS   2 -15.266   2.509   0.641
   17    HA   LYS   2           HA       LYS   2 -14.095   0.062   1.788
   18    HB2  LYS   2           HB2      LYS   2 -16.518   0.259  -0.014
   19    HB3  LYS   2           HB3      LYS   2 -15.773  -1.242   0.513
   20    HG2  LYS   2           HG2      LYS   2 -16.596   0.654   2.622
   21    HG3  LYS   2           HG3      LYS   2 -17.876  -0.168   1.729
   22    HD2  LYS   2           HD2      LYS   2 -17.577  -1.865   3.159
   23    HD3  LYS   2           HD3      LYS   2 -16.086  -2.194   2.273
   24    HE2  LYS   2           HE2      LYS   2 -14.772  -1.031   3.840
   25    HE3  LYS   2           HE3      LYS   2 -16.175  -0.243   4.554
   26    HZ1  LYS   2           HZ1      LYS   2 -16.568  -2.982   4.806
   27    HZ2  LYS   2           HZ2      LYS   2 -16.239  -1.867   6.037
   28    HZ3  LYS   2           HZ3      LYS   2 -14.970  -2.686   5.277
   29    H    SER   3           H        SER   3 -14.280  -1.536  -0.500
   30    HA   SER   3           HA       SER   3 -13.092  -2.074  -2.368
   31    HB2  SER   3           HB2      SER   3 -14.433   0.241  -3.004
   32    HB3  SER   3           HB3      SER   3 -12.762   0.668  -3.370
   33    HG   SER   3           HG       SER   3 -14.379  -0.712  -4.872
   34    H    HIS   4           H        HIS   4 -11.852  -0.927   0.165
   35    HA   HIS   4           HA       HIS   4  -9.633   0.557  -0.151
   36    HB2  HIS   4           HB2      HIS   4 -10.375  -1.659   1.650
   37    HB3  HIS   4           HB3      HIS   4  -8.658  -1.264   1.587
   38    HD1  HIS   4           HD1      HIS   4 -10.323  -0.701   4.135
   39    HD2  HIS   4           HD2      HIS   4  -9.650   2.078   1.110
   40    HE1  HIS   4           HE1      HIS   4 -10.703   1.550   5.190
   41    HE2  HIS   4           HE2      HIS   4 -10.346   3.212   3.330
   42    H    THR   5           H        THR   5 -10.073  -2.687  -1.318
   43    HA   THR   5           HA       THR   5  -7.658  -3.765  -1.693
   44    HB   THR   5           HB       THR   5  -8.522  -4.886  -3.539
   45    HG1  THR   5           HG1      THR   5  -8.821  -3.430  -5.088
   46   HG21  THR   5          HG21      THR   5 -10.671  -5.468  -3.037
   47   HG22  THR   5          HG22      THR   5 -11.139  -3.796  -2.703
   48   HG23  THR   5          HG23      THR   5 -10.167  -4.688  -1.531
   49    H    ALA   6           H        ALA   6  -9.004  -1.349  -3.928
   50    HA   ALA   6           HA       ALA   6  -6.333  -0.806  -4.919
   51    HB1  ALA   6           HB1      ALA   6  -8.564   0.724  -6.044
   52    HB2  ALA   6           HB2      ALA   6  -8.653  -1.025  -6.265
   53    HB3  ALA   6           HB3      ALA   6  -7.252  -0.133  -6.856
   54    H    SER   7           H        SER   7  -9.004   0.768  -3.341
   55    HA   SER   7           HA       SER   7  -7.945   3.387  -3.194
   56    HB2  SER   7           HB2      SER   7  -9.674   1.982  -1.145
   57    HB3  SER   7           HB3      SER   7  -9.416   3.720  -1.253
   58    HG   SER   7           HG       SER   7 -11.381   2.779  -2.272
   59    H    TYR   8           H        TYR   8  -7.809   0.869  -0.693
   60    HA   TYR   8           HA       TYR   8  -5.981   2.127   0.963
   61    HB2  TYR   8           HB2      TYR   8  -5.960   0.161   2.123
   62    HB3  TYR   8           HB3      TYR   8  -7.289  -0.250   1.048
   63    HD1  TYR   8           HD1      TYR   8  -3.552  -0.254   0.677
   64    HD2  TYR   8           HD2      TYR   8  -7.188  -2.470   0.392
   65    HE1  TYR   8           HE1      TYR   8  -2.305  -2.176  -0.100
   66    HE2  TYR   8           HE2      TYR   8  -5.931  -4.419  -0.394
   67    HH   TYR   8           HH       TYR   8  -2.791  -4.868  -0.024
   68    H    LEU   9           H        LEU   9  -5.507   0.163  -1.936
   69    HA   LEU   9           HA       LEU   9  -2.877  -0.399  -1.920
   70    HB2  LEU   9           HB2      LEU   9  -3.304  -0.964  -4.033
   71    HB3  LEU   9           HB3      LEU   9  -4.876  -0.222  -3.858
   72    HG   LEU   9           HG       LEU   9  -3.757   1.951  -4.570
   73   HD11  LEU   9          HD11      LEU   9  -1.455   1.077  -4.192
   74   HD12  LEU   9          HD12      LEU   9  -1.709   1.822  -5.771
   75   HD13  LEU   9          HD13      LEU   9  -1.670   0.065  -5.620
   76   HD21  LEU   9          HD21      LEU   9  -4.547   1.580  -6.638
   77   HD22  LEU   9          HD22      LEU   9  -5.050   0.027  -5.973
   78   HD23  LEU   9          HD23      LEU   9  -3.540   0.152  -6.871
   79    H    ARG  10           H        ARG  10  -4.220   2.804  -2.828
   80    HA   ARG  10           HA       ARG  10  -1.784   3.986  -3.354
   81    HB2  ARG  10           HB2      ARG  10  -2.953   5.880  -3.664
   82    HB3  ARG  10           HB3      ARG  10  -4.343   4.836  -3.410
   83    HG2  ARG  10           HG2      ARG  10  -3.045   6.236  -1.111
   84    HG3  ARG  10           HG3      ARG  10  -4.253   7.027  -2.137
   85    HD2  ARG  10           HD2      ARG  10  -5.911   5.546  -1.569
   86    HD3  ARG  10           HD3      ARG  10  -4.739   4.291  -1.163
   87    HE   ARG  10           HE       ARG  10  -5.143   4.928   0.962
   88   HH11  ARG  10          HH11      ARG  10  -5.087   7.870  -0.948
   89   HH12  ARG  10          HH12      ARG  10  -5.155   8.902   0.435
   90   HH21  ARG  10          HH21      ARG  10  -5.289   6.304   2.756
   91   HH22  ARG  10          HH22      ARG  10  -5.282   8.020   2.529
   92    H    LEU  11           H        LEU  11  -3.482   3.512  -0.410
   93    HA   LEU  11           HA       LEU  11  -1.987   4.950   1.415
   94    HB2  LEU  11           HB2      LEU  11  -3.937   3.986   2.182
   95    HB3  LEU  11           HB3      LEU  11  -3.597   2.464   1.389
   96    HG   LEU  11           HG       LEU  11  -1.689   2.283   3.215
   97   HD11  LEU  11          HD11      LEU  11  -1.710   3.914   4.723
   98   HD12  LEU  11          HD12      LEU  11  -3.262   3.289   5.281
   99   HD13  LEU  11          HD13      LEU  11  -3.210   4.580   4.082
  100   HD21  LEU  11          HD21      LEU  11  -3.949   0.992   2.761
  101   HD22  LEU  11          HD22      LEU  11  -4.419   1.783   4.268
  102   HD23  LEU  11          HD23      LEU  11  -3.005   0.730   4.228
  103    H    TRP  12           H        TRP  12  -1.743   1.442   0.979
  104    HA   TRP  12           HA       TRP  12   0.727   1.276   2.276
  105    HB2  TRP  12           HB2      TRP  12   0.097  -0.818   2.503
  106    HB3  TRP  12           HB3      TRP  12  -1.250  -0.531   1.411
  107    HD1  TRP  12           HD1      TRP  12   1.803  -2.476   1.723
  108    HE1  TRP  12           HE1      TRP  12   2.269  -3.808  -0.437
  109    HE3  TRP  12           HE3      TRP  12  -1.343  -0.035  -1.147
  110    HZ2  TRP  12           HZ2      TRP  12   1.319  -3.741  -3.131
  111    HZ3  TRP  12           HZ3      TRP  12  -1.587  -0.648  -3.523
  112    HH2  TRP  12           HH2      TRP  12  -0.271  -2.460  -4.509
  113    H    ALA  13           H        ALA  13  -0.126   1.611  -1.038
  114    HA   ALA  13           HA       ALA  13   2.373   0.882  -2.039
  115    HB1  ALA  13           HB1      ALA  13   0.272   2.614  -3.311
  116    HB2  ALA  13           HB2      ALA  13   0.421   0.865  -3.472
  117    HB3  ALA  13           HB3      ALA  13   1.662   1.920  -4.149
  118    H    LEU  14           H        LEU  14   0.963   4.071  -1.335
  119    HA   LEU  14           HA       LEU  14   3.217   5.586  -2.034
  120    HB2  LEU  14           HB2      LEU  14   0.868   5.973  -0.272
  121    HB3  LEU  14           HB3      LEU  14   2.270   6.950   0.122
  122    HG   LEU  14           HG       LEU  14   1.819   7.106  -2.697
  123   HD11  LEU  14          HD11      LEU  14  -0.613   7.172  -1.021
  124   HD12  LEU  14          HD12      LEU  14  -0.412   6.759  -2.724
  125   HD13  LEU  14          HD13      LEU  14  -0.436   8.450  -2.224
  126   HD21  LEU  14          HD21      LEU  14   2.336   8.814  -0.441
  127   HD22  LEU  14          HD22      LEU  14   1.105   9.527  -1.485
  128   HD23  LEU  14          HD23      LEU  14   2.675   9.081  -2.150
  129    H    SER  15           H        SER  15   2.219   4.121   1.039
  130    HA   SER  15           HA       SER  15   4.443   4.671   2.613
  131    HB2  SER  15           HB2      SER  15   2.618   2.259   2.399
  132    HB3  SER  15           HB3      SER  15   3.859   2.394   3.654
  133    HG   SER  15           HG       SER  15   2.262   3.359   4.670
  134    H    LEU  16           H        LEU  16   3.773   1.864   0.597
  135    HA   LEU  16           HA       LEU  16   6.001   0.365   0.669
  136    HB2  LEU  16           HB2      LEU  16   3.822   0.590  -1.015
  137    HB3  LEU  16           HB3      LEU  16   5.177   0.886  -2.095
  138    HG   LEU  16           HG       LEU  16   6.174  -1.284  -1.179
  139   HD11  LEU  16          HD11      LEU  16   3.615  -1.187   0.234
  140   HD12  LEU  16          HD12      LEU  16   5.096  -2.064   0.619
  141   HD13  LEU  16          HD13      LEU  16   3.957  -2.725  -0.555
  142   HD21  LEU  16          HD21      LEU  16   4.876  -0.853  -3.395
  143   HD22  LEU  16          HD22      LEU  16   3.607  -1.797  -2.617
  144   HD23  LEU  16          HD23      LEU  16   5.200  -2.507  -2.877
  145    H    ALA  17           H        ALA  17   5.650   3.426  -0.971
  146    HA   ALA  17           HA       ALA  17   7.973   3.536  -2.467
  147    HB1  ALA  17           HB1      ALA  17   7.825   5.914  -2.350
  148    HB2  ALA  17           HB2      ALA  17   6.877   5.830  -0.865
  149    HB3  ALA  17           HB3      ALA  17   6.182   5.270  -2.386
  150    H    HIS  18           H        HIS  18   7.461   4.252   0.928
  151    HA   HIS  18           HA       HIS  18   9.846   5.227   1.826
  152    HB2  HIS  18           HB2      HIS  18   9.406   3.921   3.906
  153    HB3  HIS  18           HB3      HIS  18   8.039   4.875   3.339
  154    HD1  HIS  18           HD1      HIS  18   6.522   3.241   4.751
  155    HD2  HIS  18           HD2      HIS  18   8.415   1.472   1.459
  156    HE1  HIS  18           HE1      HIS  18   5.250   1.137   4.257
  157    HE2  HIS  18           HE2      HIS  18   6.591  -0.043   2.502
  158    H    ALA  19           H        ALA  19   8.987   1.923   1.352
  159    HA   ALA  19           HA       ALA  19  11.582   0.906   2.058
  160    HB1  ALA  19           HB1      ALA  19   9.031  -0.380   1.111
  161    HB2  ALA  19           HB2      ALA  19   9.804  -0.512   2.691
  162    HB3  ALA  19           HB3      ALA  19  10.531  -1.289   1.284
  163    H    GLN  20           H        GLN  20   9.751   1.873  -0.682
  164    HA   GLN  20           HA       GLN  20  11.373   0.542  -2.532
  165    HB2  GLN  20           HB2      GLN  20   9.701   2.981  -3.063
  166    HB3  GLN  20           HB3      GLN  20  10.301   1.852  -4.266
  167    HG2  GLN  20           HG2      GLN  20   8.081   1.541  -2.331
  168    HG3  GLN  20           HG3      GLN  20   8.092   1.258  -4.059
  169   HE21  GLN  20          HE21      GLN  20   9.061  -0.020  -0.947
  170   HE22  GLN  20          HE22      GLN  20   9.250  -1.657  -1.466
  171    H    LEU  21           H        LEU  21  11.583   3.399  -0.691
  172    HA   LEU  21           HA       LEU  21  13.621   4.562  -2.448
  173    HB2  LEU  21           HB2      LEU  21  13.558   6.388  -0.586
  174    HB3  LEU  21           HB3      LEU  21  12.287   6.287  -1.790
  175    HG   LEU  21           HG       LEU  21  11.306   4.693   0.200
  176   HD11  LEU  21          HD11      LEU  21  11.766   5.458   2.289
  177   HD12  LEU  21          HD12      LEU  21  12.273   7.048   1.717
  178   HD13  LEU  21          HD13      LEU  21  13.342   5.656   1.523
  179   HD21  LEU  21          HD21      LEU  21  10.546   7.455   0.587
  180   HD22  LEU  21          HD22      LEU  21   9.595   6.088   0.012
  181   HD23  LEU  21          HD23      LEU  21  10.589   7.007  -1.117
  182    H    SER  22           H        SER  22  13.454   2.749   0.504
  183    HA   SER  22           HA       SER  22  16.356   2.832   0.629
  184    HB2  SER  22           HB2      SER  22  14.575   3.941   2.759
  185    HB3  SER  22           HB3      SER  22  16.081   3.150   3.227
  186    HG   SER  22           HG       SER  22  15.739   5.612   2.286
  187    H    SER  23           H        SER  23  14.185   0.814   0.104
  188    HA   SER  23           HA       SER  23  15.386  -1.281   1.697
  189    HB2  SER  23           HB2      SER  23  12.411  -0.784   1.874
  190    HB3  SER  23           HB3      SER  23  13.239  -2.202   2.504
  191    HG   SER  23           HG       SER  23  13.014   0.296   3.570
  192    H    LYS  24           H        LYS  24  14.669  -0.234  -1.161
  193    HA   LYS  24           HA       LYS  24  13.094  -1.874  -2.565
  194    HB2  LYS  24           HB2      LYS  24  15.547  -0.360  -3.076
  195    HB3  LYS  24           HB3      LYS  24  15.210  -1.625  -4.257
  196    HG2  LYS  24           HG2      LYS  24  13.043  -0.665  -4.706
  197    HG3  LYS  24           HG3      LYS  24  13.297   0.532  -3.435
  198    HD2  LYS  24           HD2      LYS  24  14.612   1.819  -4.740
  199    HD3  LYS  24           HD3      LYS  24  15.404   0.428  -5.483
  200    HE2  LYS  24           HE2      LYS  24  13.448   0.069  -6.903
  201    HE3  LYS  24           HE3      LYS  24  12.648   1.450  -6.153
  202    HZ1  LYS  24           HZ1      LYS  24  15.180   2.241  -7.094
  203    HZ2  LYS  24           HZ2      LYS  24  13.654   2.792  -7.574
  204    HZ3  LYS  24           HZ3      LYS  24  14.355   1.459  -8.346
  205    H    LYS  25           H        LYS  25  13.702  -3.661  -4.077
  206    HA   LYS  25           HA       LYS  25  15.042  -5.756  -2.577
  207    HB2  LYS  25           HB2      LYS  25  13.364  -5.750  -5.081
  208    HB3  LYS  25           HB3      LYS  25  14.186  -7.192  -4.497
  209    HG2  LYS  25           HG2      LYS  25  12.618  -5.865  -2.435
  210    HG3  LYS  25           HG3      LYS  25  11.653  -6.384  -3.818
  211    HD2  LYS  25           HD2      LYS  25  13.626  -8.327  -2.780
  212    HD3  LYS  25           HD3      LYS  25  12.240  -7.983  -1.743
  213    HE2  LYS  25           HE2      LYS  25  10.709  -8.623  -3.466
  214    HE3  LYS  25           HE3      LYS  25  12.013  -8.755  -4.645
  215    HZ1  LYS  25           HZ1      LYS  25  11.022 -10.819  -3.277
  216    HZ2  LYS  25           HZ2      LYS  25  12.321 -10.395  -2.279
  217    HZ3  LYS  25           HZ3      LYS  25  12.592 -10.776  -3.905
  Start of MODEL   10
    1    H1   LYS   1           H1       LYS   1 -16.715   4.392   0.199
    2    H2   LYS   1           H2       LYS   1 -17.743   3.322   1.063
    3    H3   LYS   1           H3       LYS   1 -18.416   4.574   0.100
    4    HA   LYS   1           HA       LYS   1 -18.684   2.692  -1.145
    5    HB2  LYS   1           HB2      LYS   1 -16.524   4.567  -1.850
    6    HB3  LYS   1           HB3      LYS   1 -16.524   3.073  -2.777
    7    HG2  LYS   1           HG2      LYS   1 -18.826   3.474  -3.456
    8    HG3  LYS   1           HG3      LYS   1 -18.860   4.954  -2.496
    9    HD2  LYS   1           HD2      LYS   1 -17.790   6.128  -4.073
   10    HD3  LYS   1           HD3      LYS   1 -16.611   4.845  -4.349
   11    HE2  LYS   1           HE2      LYS   1 -17.899   3.826  -5.968
   12    HE3  LYS   1           HE3      LYS   1 -19.403   4.507  -5.348
   13    HZ1  LYS   1           HZ1      LYS   1 -17.314   5.867  -6.948
   14    HZ2  LYS   1           HZ2      LYS   1 -18.513   6.719  -6.115
   15    HZ3  LYS   1           HZ3      LYS   1 -18.943   5.635  -7.340
   16    H    LYS   2           H        LYS   2 -15.837   2.640   0.770
   17    HA   LYS   2           HA       LYS   2 -14.434   0.984   1.421
   18    HB2  LYS   2           HB2      LYS   2 -16.780  -0.599   0.398
   19    HB3  LYS   2           HB3      LYS   2 -15.341  -1.413   0.991
   20    HG2  LYS   2           HG2      LYS   2 -15.657  -0.679   3.160
   21    HG3  LYS   2           HG3      LYS   2 -16.712   0.646   2.662
   22    HD2  LYS   2           HD2      LYS   2 -18.136  -1.460   1.764
   23    HD3  LYS   2           HD3      LYS   2 -17.332  -2.198   3.153
   24    HE2  LYS   2           HE2      LYS   2 -18.419  -0.874   4.660
   25    HE3  LYS   2           HE3      LYS   2 -18.568   0.471   3.530
   26    HZ1  LYS   2           HZ1      LYS   2 -20.719  -0.289   3.687
   27    HZ2  LYS   2           HZ2      LYS   2 -20.268  -1.916   3.800
   28    HZ3  LYS   2           HZ3      LYS   2 -20.181  -1.116   2.313
   29    H    SER   3           H        SER   3 -14.529  -1.660  -0.385
   30    HA   SER   3           HA       SER   3 -13.239  -2.492  -2.066
   31    HB2  SER   3           HB2      SER   3 -13.325   0.180  -3.439
   32    HB3  SER   3           HB3      SER   3 -13.357  -1.434  -4.150
   33    HG   SER   3           HG       SER   3 -15.427   0.031  -2.949
   34    H    HIS   4           H        HIS   4 -12.157  -0.764   0.192
   35    HA   HIS   4           HA       HIS   4 -10.050   0.804  -0.330
   36    HB2  HIS   4           HB2      HIS   4 -10.667  -1.131   1.787
   37    HB3  HIS   4           HB3      HIS   4  -8.948  -0.757   1.627
   38    HD1  HIS   4           HD1      HIS   4 -10.750   0.169   4.055
   39    HD2  HIS   4           HD2      HIS   4  -9.777   2.493   0.741
   40    HE1  HIS   4           HE1      HIS   4 -11.047   2.552   4.796
   41    HE2  HIS   4           HE2      HIS   4 -10.388   3.944   2.801
   42    H    THR   5           H        THR   5 -10.146  -2.660  -0.876
   43    HA   THR   5           HA       THR   5  -7.644  -3.493  -1.036
   44    HB   THR   5           HB       THR   5  -9.964  -3.872  -2.837
   45    HG1  THR   5           HG1      THR   5  -8.244  -5.624  -1.411
   46   HG21  THR   5          HG21      THR   5  -7.160  -4.553  -3.491
   47   HG22  THR   5          HG22      THR   5  -8.398  -3.820  -4.509
   48   HG23  THR   5          HG23      THR   5  -8.506  -5.535  -4.088
   49    H    ALA   6           H        ALA   6  -9.163  -1.523  -3.574
   50    HA   ALA   6           HA       ALA   6  -6.636  -1.083  -4.884
   51    HB1  ALA   6           HB1      ALA   6  -9.096  -1.250  -5.883
   52    HB2  ALA   6           HB2      ALA   6  -7.808  -0.339  -6.673
   53    HB3  ALA   6           HB3      ALA   6  -8.994   0.497  -5.670
   54    H    SER   7           H        SER   7  -9.090   0.995  -3.541
   55    HA   SER   7           HA       SER   7  -7.743   3.422  -3.534
   56    HB2  SER   7           HB2      SER   7 -10.034   2.312  -2.135
   57    HB3  SER   7           HB3      SER   7  -9.135   3.433  -1.113
   58    HG   SER   7           HG       SER   7 -10.731   3.943  -3.244
   59    H    TYR   8           H        TYR   8  -7.890   1.175  -0.792
   60    HA   TYR   8           HA       TYR   8  -6.052   2.423   0.832
   61    HB2  TYR   8           HB2      TYR   8  -6.214   0.565   2.107
   62    HB3  TYR   8           HB3      TYR   8  -7.449   0.086   0.953
   63    HD1  TYR   8           HD1      TYR   8  -3.693   0.004   1.035
   64    HD2  TYR   8           HD2      TYR   8  -7.310  -2.145   0.321
   65    HE1  TYR   8           HE1      TYR   8  -2.408  -1.999   0.556
   66    HE2  TYR   8           HE2      TYR   8  -6.034  -4.145  -0.145
   67    HH   TYR   8           HH       TYR   8  -3.812  -5.099   0.327
   68    H    LEU   9           H        LEU   9  -5.483   0.110  -1.789
   69    HA   LEU   9           HA       LEU   9  -2.873  -0.490  -1.593
   70    HB2  LEU   9           HB2      LEU   9  -3.162  -1.239  -3.673
   71    HB3  LEU   9           HB3      LEU   9  -4.764  -0.542  -3.611
   72    HG   LEU   9           HG       LEU   9  -3.651   1.605  -4.484
   73   HD11  LEU   9          HD11      LEU   9  -1.589  -0.324  -5.479
   74   HD12  LEU   9          HD12      LEU   9  -1.354   0.643  -4.023
   75   HD13  LEU   9          HD13      LEU   9  -1.593   1.437  -5.580
   76   HD21  LEU   9          HD21      LEU   9  -3.574  -0.603  -6.484
   77   HD22  LEU   9          HD22      LEU   9  -4.244   1.022  -6.628
   78   HD23  LEU   9          HD23      LEU   9  -5.095  -0.202  -5.686
   79    H    ARG  10           H        ARG  10  -4.071   2.640  -2.875
   80    HA   ARG  10           HA       ARG  10  -1.578   3.659  -3.450
   81    HB2  ARG  10           HB2      ARG  10  -2.609   5.611  -3.915
   82    HB3  ARG  10           HB3      ARG  10  -4.057   4.641  -3.702
   83    HG2  ARG  10           HG2      ARG  10  -2.846   6.150  -1.418
   84    HG3  ARG  10           HG3      ARG  10  -3.989   6.888  -2.552
   85    HD2  ARG  10           HD2      ARG  10  -5.708   5.522  -1.932
   86    HD3  ARG  10           HD3      ARG  10  -4.603   4.233  -1.451
   87    HE   ARG  10           HE       ARG  10  -4.981   4.972   0.647
   88   HH11  ARG  10          HH11      ARG  10  -5.008   7.798  -1.415
   89   HH12  ARG  10          HH12      ARG  10  -5.059   8.908  -0.090
   90   HH21  ARG  10          HH21      ARG  10  -5.069   6.440   2.376
   91   HH22  ARG  10          HH22      ARG  10  -5.103   8.142   2.055
   92    H    LEU  11           H        LEU  11  -3.359   3.604  -0.510
   93    HA   LEU  11           HA       LEU  11  -1.817   5.152   1.176
   94    HB2  LEU  11           HB2      LEU  11  -3.794   4.391   2.048
   95    HB3  LEU  11           HB3      LEU  11  -3.579   2.790   1.374
   96    HG   LEU  11           HG       LEU  11  -1.655   2.683   3.241
   97   HD11  LEU  11          HD11      LEU  11  -3.759   4.430   4.506
   98   HD12  LEU  11          HD12      LEU  11  -2.179   5.012   3.982
   99   HD13  LEU  11          HD13      LEU  11  -2.294   3.797   5.255
  100   HD21  LEU  11          HD21      LEU  11  -3.214   1.448   4.596
  101   HD22  LEU  11          HD22      LEU  11  -3.556   1.145   2.891
  102   HD23  LEU  11          HD23      LEU  11  -4.581   2.244   3.817
  103    H    TRP  12           H        TRP  12  -1.705   1.609   1.102
  104    HA   TRP  12           HA       TRP  12   0.723   1.461   2.466
  105    HB2  TRP  12           HB2      TRP  12  -0.030  -0.578   2.832
  106    HB3  TRP  12           HB3      TRP  12  -1.282  -0.346   1.622
  107    HD1  TRP  12           HD1      TRP  12   1.782  -2.249   2.266
  108    HE1  TRP  12           HE1      TRP  12   2.343  -3.766   0.251
  109    HE3  TRP  12           HE3      TRP  12  -1.306  -0.142  -0.901
  110    HZ2  TRP  12           HZ2      TRP  12   1.469  -3.962  -2.474
  111    HZ3  TRP  12           HZ3      TRP  12  -1.483  -0.971  -3.220
  112    HH2  TRP  12           HH2      TRP  12  -0.108  -2.843  -4.005
  113    H    ALA  13           H        ALA  13  -0.065   1.564  -0.878
  114    HA   ALA  13           HA       ALA  13   2.430   0.718  -1.791
  115    HB1  ALA  13           HB1      ALA  13   0.362   2.383  -3.192
  116    HB2  ALA  13           HB2      ALA  13   0.521   0.627  -3.258
  117    HB3  ALA  13           HB3      ALA  13   1.767   1.653  -3.971
  118    H    LEU  14           H        LEU  14   1.065   3.981  -1.352
  119    HA   LEU  14           HA       LEU  14   3.342   5.417  -2.119
  120    HB2  LEU  14           HB2      LEU  14   0.885   6.030  -0.887
  121    HB3  LEU  14           HB3      LEU  14   2.109   6.577   0.241
  122    HG   LEU  14           HG       LEU  14   3.127   7.953  -1.519
  123   HD11  LEU  14          HD11      LEU  14   1.394   8.232  -3.539
  124   HD12  LEU  14          HD12      LEU  14   1.152   6.521  -3.184
  125   HD13  LEU  14          HD13      LEU  14   2.761   7.118  -3.587
  126   HD21  LEU  14          HD21      LEU  14   0.423   8.934  -1.821
  127   HD22  LEU  14          HD22      LEU  14   1.782   9.625  -0.935
  128   HD23  LEU  14          HD23      LEU  14   0.747   8.424  -0.164
  129    H    SER  15           H        SER  15   2.336   4.123   1.022
  130    HA   SER  15           HA       SER  15   4.578   4.741   2.553
  131    HB2  SER  15           HB2      SER  15   2.765   2.309   2.524
  132    HB3  SER  15           HB3      SER  15   3.971   2.598   3.783
  133    HG   SER  15           HG       SER  15   2.823   4.725   3.995
  134    H    LEU  16           H        LEU  16   3.848   1.860   0.652
  135    HA   LEU  16           HA       LEU  16   6.062   0.332   0.836
  136    HB2  LEU  16           HB2      LEU  16   3.886   0.381  -0.784
  137    HB3  LEU  16           HB3      LEU  16   5.150   0.790  -1.935
  138    HG   LEU  16           HG       LEU  16   6.094  -1.421  -0.431
  139   HD11  LEU  16          HD11      LEU  16   3.780  -1.854   0.201
  140   HD12  LEU  16          HD12      LEU  16   4.386  -3.097  -0.892
  141   HD13  LEU  16          HD13      LEU  16   3.306  -1.841  -1.497
  142   HD21  LEU  16          HD21      LEU  16   4.992  -1.513  -3.224
  143   HD22  LEU  16          HD22      LEU  16   6.329  -2.434  -2.536
  144   HD23  LEU  16          HD23      LEU  16   6.511  -0.706  -2.836
  145    H    ALA  17           H        ALA  17   5.725   3.323  -0.915
  146    HA   ALA  17           HA       ALA  17   8.045   3.387  -2.423
  147    HB1  ALA  17           HB1      ALA  17   7.087   5.783  -0.896
  148    HB2  ALA  17           HB2      ALA  17   6.182   5.129  -2.263
  149    HB3  ALA  17           HB3      ALA  17   7.829   5.719  -2.494
  150    H    HIS  18           H        HIS  18   7.544   4.227   0.951
  151    HA   HIS  18           HA       HIS  18   9.915   5.233   1.826
  152    HB2  HIS  18           HB2      HIS  18   9.499   3.957   3.936
  153    HB3  HIS  18           HB3      HIS  18   8.133   4.906   3.360
  154    HD1  HIS  18           HD1      HIS  18   6.593   3.298   4.783
  155    HD2  HIS  18           HD2      HIS  18   8.528   1.471   1.545
  156    HE1  HIS  18           HE1      HIS  18   5.339   1.170   4.333
  157    HE2  HIS  18           HE2      HIS  18   6.704  -0.035   2.608
  158    H    ALA  19           H        ALA  19   9.117   1.901   1.473
  159    HA   ALA  19           HA       ALA  19  11.733   0.939   2.193
  160    HB1  ALA  19           HB1      ALA  19   9.682  -0.332   2.777
  161    HB2  ALA  19           HB2      ALA  19  10.811  -1.276   1.804
  162    HB3  ALA  19           HB3      ALA  19   9.374  -0.576   1.057
  163    H    GLN  20           H        GLN  20   9.838   1.746  -0.576
  164    HA   GLN  20           HA       GLN  20  11.475   0.431  -2.414
  165    HB2  GLN  20           HB2      GLN  20   9.777   2.856  -2.935
  166    HB3  GLN  20           HB3      GLN  20  10.428   1.776  -4.156
  167    HG2  GLN  20           HG2      GLN  20   8.139   1.423  -2.337
  168    HG3  GLN  20           HG3      GLN  20   8.293   1.027  -4.038
  169   HE21  GLN  20          HE21      GLN  20   8.949  -0.016  -0.781
  170   HE22  GLN  20          HE22      GLN  20   9.262  -1.673  -1.158
  171    H    LEU  21           H        LEU  21  11.665   3.282  -0.597
  172    HA   LEU  21           HA       LEU  21  13.842   4.374  -2.267
  173    HB2  LEU  21           HB2      LEU  21  13.527   6.378  -0.699
  174    HB3  LEU  21           HB3      LEU  21  12.285   6.054  -1.895
  175    HG   LEU  21           HG       LEU  21  11.332   4.652   0.218
  176   HD11  LEU  21          HD11      LEU  21  11.504   6.191   2.171
  177   HD12  LEU  21          HD12      LEU  21  12.817   7.009   1.323
  178   HD13  LEU  21          HD13      LEU  21  12.978   5.310   1.773
  179   HD21  LEU  21          HD21      LEU  21  10.398   6.570  -1.327
  180   HD22  LEU  21          HD22      LEU  21  10.655   7.533   0.129
  181   HD23  LEU  21          HD23      LEU  21   9.604   6.116   0.180
  182    H    SER  22           H        SER  22  13.371   2.587   0.582
  183    HA   SER  22           HA       SER  22  16.132   3.187   1.409
  184    HB2  SER  22           HB2      SER  22  14.399   4.259   2.918
  185    HB3  SER  22           HB3      SER  22  13.913   2.627   3.378
  186    HG   SER  22           HG       SER  22  16.584   3.544   3.574
  187    H    SER  23           H        SER  23  14.409   0.904   0.027
  188    HA   SER  23           HA       SER  23  16.124  -1.199   0.744
  189    HB2  SER  23           HB2      SER  23  14.626  -2.667   1.999
  190    HB3  SER  23           HB3      SER  23  14.862  -1.153   2.873
  191    HG   SER  23           HG       SER  23  12.589  -2.162   1.635
  192    H    LYS  24           H        LYS  24  14.955   0.046  -1.546
  193    HA   LYS  24           HA       LYS  24  12.888  -1.263  -2.768
  194    HB2  LYS  24           HB2      LYS  24  13.727  -0.420  -4.826
  195    HB3  LYS  24           HB3      LYS  24  14.153   0.742  -3.578
  196    HG2  LYS  24           HG2      LYS  24  16.368  -0.822  -3.610
  197    HG3  LYS  24           HG3      LYS  24  15.873  -0.875  -5.304
  198    HD2  LYS  24           HD2      LYS  24  17.268   0.989  -5.210
  199    HD3  LYS  24           HD3      LYS  24  15.651   1.685  -5.091
  200    HE2  LYS  24           HE2      LYS  24  16.561   1.036  -2.468
  201    HE3  LYS  24           HE3      LYS  24  17.823   1.951  -3.291
  202    HZ1  LYS  24           HZ1      LYS  24  16.166   3.651  -3.819
  203    HZ2  LYS  24           HZ2      LYS  24  16.318   3.429  -2.149
  204    HZ3  LYS  24           HZ3      LYS  24  14.990   2.781  -2.971
  205    H    LYS  25           H        LYS  25  12.542  -3.318  -3.227
  206    HA   LYS  25           HA       LYS  25  14.783  -4.985  -4.135
  207    HB2  LYS  25           HB2      LYS  25  13.903  -6.870  -2.773
  208    HB3  LYS  25           HB3      LYS  25  14.516  -5.539  -1.802
  209    HG2  LYS  25           HG2      LYS  25  11.863  -4.904  -2.071
  210    HG3  LYS  25           HG3      LYS  25  11.835  -6.665  -1.960
  211    HD2  LYS  25           HD2      LYS  25  13.405  -4.983  -0.029
  212    HD3  LYS  25           HD3      LYS  25  11.693  -5.329   0.222
  213    HE2  LYS  25           HE2      LYS  25  13.201  -7.720  -0.429
  214    HE3  LYS  25           HE3      LYS  25  13.840  -6.907   0.998
  215    HZ1  LYS  25           HZ1      LYS  25  11.247  -6.826   1.533
  216    HZ2  LYS  25           HZ2      LYS  25  12.242  -8.110   2.005
  217    HZ3  LYS  25           HZ3      LYS  25  11.289  -8.245   0.615
  Start of MODEL   11
    1    H1   LYS   1           H1       LYS   1 -19.133   0.718  -1.107
    2    H2   LYS   1           H2       LYS   1 -17.937   1.035  -2.295
    3    H3   LYS   1           H3       LYS   1 -19.434   1.874  -2.336
    4    HA   LYS   1           HA       LYS   1 -17.977   3.381  -1.472
    5    HB2  LYS   1           HB2      LYS   1 -20.071   2.316   0.028
    6    HB3  LYS   1           HB3      LYS   1 -18.754   2.472   1.183
    7    HG2  LYS   1           HG2      LYS   1 -18.785   4.861  -0.292
    8    HG3  LYS   1           HG3      LYS   1 -20.467   4.492   0.096
    9    HD2  LYS   1           HD2      LYS   1 -19.574   5.819   1.875
   10    HD3  LYS   1           HD3      LYS   1 -19.764   4.170   2.474
   11    HE2  LYS   1           HE2      LYS   1 -17.487   3.776   2.495
   12    HE3  LYS   1           HE3      LYS   1 -17.156   5.026   1.297
   13    HZ1  LYS   1           HZ1      LYS   1 -18.263   5.887   3.858
   14    HZ2  LYS   1           HZ2      LYS   1 -17.130   6.648   2.858
   15    HZ3  LYS   1           HZ3      LYS   1 -16.654   5.364   3.852
   16    H    LYS   2           H        LYS   2 -17.324   0.140  -0.417
   17    HA   LYS   2           HA       LYS   2 -15.011   0.923   1.160
   18    HB2  LYS   2           HB2      LYS   2 -16.395  -1.673   0.567
   19    HB3  LYS   2           HB3      LYS   2 -14.757  -1.685   1.203
   20    HG2  LYS   2           HG2      LYS   2 -16.347   0.101   2.762
   21    HG3  LYS   2           HG3      LYS   2 -17.180  -1.448   2.619
   22    HD2  LYS   2           HD2      LYS   2 -15.777  -2.391   4.066
   23    HD3  LYS   2           HD3      LYS   2 -14.385  -1.886   3.109
   24    HE2  LYS   2           HE2      LYS   2 -14.074   0.040   4.325
   25    HE3  LYS   2           HE3      LYS   2 -15.763   0.122   4.825
   26    HZ1  LYS   2           HZ1      LYS   2 -14.409  -0.471   6.692
   27    HZ2  LYS   2           HZ2      LYS   2 -13.704  -1.758   5.847
   28    HZ3  LYS   2           HZ3      LYS   2 -15.342  -1.816   6.264
   29    H    SER   3           H        SER   3 -14.727  -1.938  -0.805
   30    HA   SER   3           HA       SER   3 -13.127  -2.563  -2.304
   31    HB2  SER   3           HB2      SER   3 -14.669  -0.812  -3.559
   32    HB3  SER   3           HB3      SER   3 -13.193   0.154  -3.551
   33    HG   SER   3           HG       SER   3 -13.358  -2.511  -4.509
   34    H    HIS   4           H        HIS   4 -12.350  -1.019   0.170
   35    HA   HIS   4           HA       HIS   4 -10.334   0.755  -0.089
   36    HB2  HIS   4           HB2      HIS   4 -10.962  -1.333   1.879
   37    HB3  HIS   4           HB3      HIS   4  -9.275  -0.800   1.877
   38    HD1  HIS   4           HD1      HIS   4 -11.374  -0.138   4.171
   39    HD2  HIS   4           HD2      HIS   4 -10.289   2.397   1.049
   40    HE1  HIS   4           HE1      HIS   4 -11.948   2.180   4.958
   41    HE2  HIS   4           HE2      HIS   4 -11.241   3.703   3.078
   42    H    THR   5           H        THR   5 -10.178  -2.602  -0.992
   43    HA   THR   5           HA       THR   5  -7.576  -3.210  -0.883
   44    HB   THR   5           HB       THR   5  -9.578  -3.686  -3.061
   45    HG1  THR   5           HG1      THR   5  -9.444  -5.795  -2.200
   46   HG21  THR   5          HG21      THR   5  -7.603  -3.759  -4.242
   47   HG22  THR   5          HG22      THR   5  -7.920  -5.441  -3.800
   48   HG23  THR   5          HG23      THR   5  -6.730  -4.494  -2.897
   49    H    ALA   6           H        ALA   6  -9.042  -1.523  -3.656
   50    HA   ALA   6           HA       ALA   6  -6.513  -0.788  -4.723
   51    HB1  ALA   6           HB1      ALA   6  -8.670  -1.159  -6.022
   52    HB2  ALA   6           HB2      ALA   6  -7.673   0.220  -6.488
   53    HB3  ALA   6           HB3      ALA   6  -9.113   0.465  -5.499
   54    H    SER   7           H        SER   7  -9.069   0.920  -3.109
   55    HA   SER   7           HA       SER   7  -7.999   3.512  -3.086
   56    HB2  SER   7           HB2      SER   7 -10.120   2.143  -1.745
   57    HB3  SER   7           HB3      SER   7  -9.202   3.051  -0.544
   58    HG   SER   7           HG       SER   7 -10.916   3.954  -2.418
   59    H    TYR   8           H        TYR   8  -7.795   1.208  -0.406
   60    HA   TYR   8           HA       TYR   8  -5.860   2.545   1.036
   61    HB2  TYR   8           HB2      TYR   8  -5.797   0.691   2.344
   62    HB3  TYR   8           HB3      TYR   8  -7.211   0.243   1.399
   63    HD1  TYR   8           HD1      TYR   8  -3.486   0.035   0.944
   64    HD2  TYR   8           HD2      TYR   8  -7.245  -1.962   0.736
   65    HE1  TYR   8           HE1      TYR   8  -2.360  -2.012   0.296
   66    HE2  TYR   8           HE2      TYR   8  -6.138  -4.009   0.099
   67    HH   TYR   8           HH       TYR   8  -3.128  -4.722   0.545
   68    H    LEU   9           H        LEU   9  -5.521   0.315  -1.690
   69    HA   LEU   9           HA       LEU   9  -2.908  -0.311  -1.742
   70    HB2  LEU   9           HB2      LEU   9  -3.353  -0.925  -3.840
   71    HB3  LEU   9           HB3      LEU   9  -4.943  -0.230  -3.619
   72    HG   LEU   9           HG       LEU   9  -3.878   1.967  -4.428
   73   HD11  LEU   9          HD11      LEU   9  -1.896   0.084  -5.652
   74   HD12  LEU   9          HD12      LEU   9  -1.565   1.006  -4.185
   75   HD13  LEU   9          HD13      LEU   9  -1.907   1.847  -5.698
   76   HD21  LEU   9          HD21      LEU   9  -4.404   1.451  -6.685
   77   HD22  LEU   9          HD22      LEU   9  -5.477   0.485  -5.675
   78   HD23  LEU   9          HD23      LEU   9  -4.074  -0.263  -6.435
   79    H    ARG  10           H        ARG  10  -4.220   2.862  -2.740
   80    HA   ARG  10           HA       ARG  10  -1.805   3.981  -3.440
   81    HB2  ARG  10           HB2      ARG  10  -2.933   5.924  -3.703
   82    HB3  ARG  10           HB3      ARG  10  -4.328   4.886  -3.444
   83    HG2  ARG  10           HG2      ARG  10  -3.004   6.286  -1.155
   84    HG3  ARG  10           HG3      ARG  10  -4.234   7.067  -2.162
   85    HD2  ARG  10           HD2      ARG  10  -5.874   5.599  -1.544
   86    HD3  ARG  10           HD3      ARG  10  -4.701   4.328  -1.195
   87    HE   ARG  10           HE       ARG  10  -4.972   4.941   0.960
   88   HH11  ARG  10          HH11      ARG  10  -5.253   7.857  -0.945
   89   HH12  ARG  10          HH12      ARG  10  -5.281   8.898   0.433
   90   HH21  ARG  10          HH21      ARG  10  -5.018   6.321   2.772
   91   HH22  ARG  10          HH22      ARG  10  -5.153   8.032   2.538
   92    H    LEU  11           H        LEU  11  -3.363   3.696  -0.394
   93    HA   LEU  11           HA       LEU  11  -1.717   5.164   1.282
   94    HB2  LEU  11           HB2      LEU  11  -3.653   4.347   2.209
   95    HB3  LEU  11           HB3      LEU  11  -3.459   2.779   1.453
   96    HG   LEU  11           HG       LEU  11  -1.421   2.651   3.215
   97   HD11  LEU  11          HD11      LEU  11  -3.484   4.475   4.430
   98   HD12  LEU  11          HD12      LEU  11  -1.747   4.743   4.281
   99   HD13  LEU  11          HD13      LEU  11  -2.357   3.511   5.387
  100   HD21  LEU  11          HD21      LEU  11  -4.276   2.044   3.949
  101   HD22  LEU  11          HD22      LEU  11  -2.818   1.223   4.504
  102   HD23  LEU  11          HD23      LEU  11  -3.323   1.080   2.819
  103    H    TRP  12           H        TRP  12  -1.645   1.635   1.035
  104    HA   TRP  12           HA       TRP  12   0.835   1.387   2.263
  105    HB2  TRP  12           HB2      TRP  12   0.066  -0.659   2.544
  106    HB3  TRP  12           HB3      TRP  12  -1.226  -0.347   1.394
  107    HD1  TRP  12           HD1      TRP  12   1.817  -2.331   1.832
  108    HE1  TRP  12           HE1      TRP  12   2.303  -3.725  -0.289
  109    HE3  TRP  12           HE3      TRP  12  -1.307   0.025  -1.125
  110    HZ2  TRP  12           HZ2      TRP  12   1.356  -3.738  -2.995
  111    HZ3  TRP  12           HZ3      TRP  12  -1.560  -0.658  -3.485
  112    HH2  TRP  12           HH2      TRP  12  -0.237  -2.501  -4.415
  113    H    ALA  13           H        ALA  13  -0.068   1.685  -1.042
  114    HA   ALA  13           HA       ALA  13   2.377   0.844  -2.075
  115    HB1  ALA  13           HB1      ALA  13   0.388   0.885  -3.462
  116    HB2  ALA  13           HB2      ALA  13   1.664   1.865  -4.185
  117    HB3  ALA  13           HB3      ALA  13   0.328   2.643  -3.335
  118    H    LEU  14           H        LEU  14   1.089   4.109  -1.476
  119    HA   LEU  14           HA       LEU  14   3.391   5.522  -2.206
  120    HB2  LEU  14           HB2      LEU  14   0.991   6.051  -0.649
  121    HB3  LEU  14           HB3      LEU  14   2.389   6.831   0.063
  122    HG   LEU  14           HG       LEU  14   1.091   8.256  -1.535
  123   HD11  LEU  14          HD11      LEU  14   3.961   7.777  -1.488
  124   HD12  LEU  14          HD12      LEU  14   3.062   9.293  -1.433
  125   HD13  LEU  14          HD13      LEU  14   3.413   8.533  -2.984
  126   HD21  LEU  14          HD21      LEU  14   0.600   6.403  -3.134
  127   HD22  LEU  14          HD22      LEU  14   2.287   6.467  -3.644
  128   HD23  LEU  14          HD23      LEU  14   1.239   7.863  -3.889
  129    H    SER  15           H        SER  15   2.372   4.129   0.887
  130    HA   SER  15           HA       SER  15   4.610   4.664   2.447
  131    HB2  SER  15           HB2      SER  15   2.783   2.247   2.303
  132    HB3  SER  15           HB3      SER  15   3.991   2.466   3.575
  133    HG   SER  15           HG       SER  15   1.747   3.220   3.994
  134    H    LEU  16           H        LEU  16   3.876   1.852   0.453
  135    HA   LEU  16           HA       LEU  16   6.090   0.314   0.584
  136    HB2  LEU  16           HB2      LEU  16   3.904   0.603  -1.144
  137    HB3  LEU  16           HB3      LEU  16   5.318   0.685  -2.188
  138    HG   LEU  16           HG       LEU  16   5.043  -1.540  -0.195
  139   HD11  LEU  16          HD11      LEU  16   3.016  -1.168  -1.851
  140   HD12  LEU  16          HD12      LEU  16   3.646  -2.777  -1.500
  141   HD13  LEU  16          HD13      LEU  16   4.117  -1.950  -2.984
  142   HD21  LEU  16          HD21      LEU  16   7.127  -1.722  -1.085
  143   HD22  LEU  16          HD22      LEU  16   6.676  -0.931  -2.594
  144   HD23  LEU  16          HD23      LEU  16   6.230  -2.613  -2.312
  145    H    ALA  17           H        ALA  17   5.765   3.357  -1.076
  146    HA   ALA  17           HA       ALA  17   8.086   3.417  -2.593
  147    HB1  ALA  17           HB1      ALA  17   6.236   5.182  -2.379
  148    HB2  ALA  17           HB2      ALA  17   7.887   5.745  -2.639
  149    HB3  ALA  17           HB3      ALA  17   7.177   5.805  -1.025
  150    H    HIS  18           H        HIS  18   7.587   4.192   0.795
  151    HA   HIS  18           HA       HIS  18   9.961   5.154   1.694
  152    HB2  HIS  18           HB2      HIS  18   9.523   3.844   3.787
  153    HB3  HIS  18           HB3      HIS  18   8.172   4.820   3.218
  154    HD1  HIS  18           HD1      HIS  18   6.627   3.201   4.624
  155    HD2  HIS  18           HD2      HIS  18   8.518   1.422   1.334
  156    HE1  HIS  18           HE1      HIS  18   5.342   1.104   4.134
  157    HE2  HIS  18           HE2      HIS  18   6.672  -0.079   2.368
  158    H    ALA  19           H        ALA  19   9.134   1.810   1.444
  159    HA   ALA  19           HA       ALA  19  11.721   0.814   2.111
  160    HB1  ALA  19           HB1      ALA  19   9.619  -0.833   0.750
  161    HB2  ALA  19           HB2      ALA  19   9.392  -0.327   2.422
  162    HB3  ALA  19           HB3      ALA  19  10.787  -1.312   1.979
  163    H    GLN  20           H        GLN  20   9.916   1.696  -0.702
  164    HA   GLN  20           HA       GLN  20  11.617   0.397  -2.502
  165    HB2  GLN  20           HB2      GLN  20   9.913   2.814  -3.048
  166    HB3  GLN  20           HB3      GLN  20  10.608   1.751  -4.262
  167    HG2  GLN  20           HG2      GLN  20   8.266   1.376  -2.525
  168    HG3  GLN  20           HG3      GLN  20   8.492   0.961  -4.214
  169   HE21  GLN  20          HE21      GLN  20   8.997  -0.031  -0.922
  170   HE22  GLN  20          HE22      GLN  20   9.343  -1.690  -1.259
  171    H    LEU  21           H        LEU  21  11.743   3.216  -0.651
  172    HA   LEU  21           HA       LEU  21  13.997   4.313  -2.214
  173    HB2  LEU  21           HB2      LEU  21  13.579   6.347  -0.729
  174    HB3  LEU  21           HB3      LEU  21  12.382   5.980  -1.960
  175    HG   LEU  21           HG       LEU  21  11.322   4.633   0.096
  176   HD11  LEU  21          HD11      LEU  21  13.324   5.656   1.445
  177   HD12  LEU  21          HD12      LEU  21  11.723   5.470   2.163
  178   HD13  LEU  21          HD13      LEU  21  12.238   7.043   1.548
  179   HD21  LEU  21          HD21      LEU  21  10.722   7.510   0.153
  180   HD22  LEU  21          HD22      LEU  21   9.648   6.120  -0.020
  181   HD23  LEU  21          HD23      LEU  21  10.571   6.701  -1.409
  182    H    SER  22           H        SER  22  13.384   2.502   0.572
  183    HA   SER  22           HA       SER  22  16.062   3.157   1.590
  184    HB2  SER  22           HB2      SER  22  13.776   3.965   2.885
  185    HB3  SER  22           HB3      SER  22  14.153   2.446   3.698
  186    HG   SER  22           HG       SER  22  15.390   3.812   4.785
  187    H    SER  23           H        SER  23  14.332   0.800   0.227
  188    HA   SER  23           HA       SER  23  16.048  -1.252   1.160
  189    HB2  SER  23           HB2      SER  23  13.880  -2.622   1.975
  190    HB3  SER  23           HB3      SER  23  14.892  -1.691   3.080
  191    HG   SER  23           HG       SER  23  12.707  -1.167   3.363
  192    H    LYS  24           H        LYS  24  14.995  -0.044  -1.275
  193    HA   LYS  24           HA       LYS  24  13.138  -1.594  -2.590
  194    HB2  LYS  24           HB2      LYS  24  14.025  -0.668  -4.632
  195    HB3  LYS  24           HB3      LYS  24  14.037   0.559  -3.375
  196    HG2  LYS  24           HG2      LYS  24  16.167   0.935  -3.801
  197    HG3  LYS  24           HG3      LYS  24  16.540  -0.697  -3.247
  198    HD2  LYS  24           HD2      LYS  24  17.438  -0.635  -5.397
  199    HD3  LYS  24           HD3      LYS  24  15.875  -1.420  -5.632
  200    HE2  LYS  24           HE2      LYS  24  14.983   0.370  -6.730
  201    HE3  LYS  24           HE3      LYS  24  15.982   1.537  -5.865
  202    HZ1  LYS  24           HZ1      LYS  24  17.835   0.224  -7.254
  203    HZ2  LYS  24           HZ2      LYS  24  17.059   1.616  -7.821
  204    HZ3  LYS  24           HZ3      LYS  24  16.529   0.089  -8.319
  205    H    LYS  25           H        LYS  25  13.132  -3.697  -2.988
  206    HA   LYS  25           HA       LYS  25  15.633  -4.994  -3.829
  207    HB2  LYS  25           HB2      LYS  25  14.922  -7.014  -2.511
  208    HB3  LYS  25           HB3      LYS  25  15.403  -5.632  -1.537
  209    HG2  LYS  25           HG2      LYS  25  12.908  -5.072  -1.437
  210    HG3  LYS  25           HG3      LYS  25  12.654  -6.718  -2.020
  211    HD2  LYS  25           HD2      LYS  25  14.223  -5.984   0.450
  212    HD3  LYS  25           HD3      LYS  25  12.546  -6.531   0.447
  213    HE2  LYS  25           HE2      LYS  25  13.519  -8.546   0.779
  214    HE3  LYS  25           HE3      LYS  25  13.653  -8.509  -0.979
  215    HZ1  LYS  25           HZ1      LYS  25  15.756  -7.847   1.005
  216    HZ2  LYS  25           HZ2      LYS  25  15.902  -7.509  -0.647
  217    HZ3  LYS  25           HZ3      LYS  25  15.759  -9.110  -0.120
  Start of MODEL   12
    1    H1   LYS   1           H1       LYS   1 -16.055   4.224   3.547
    2    H2   LYS   1           H2       LYS   1 -16.677   5.599   2.729
    3    H3   LYS   1           H3       LYS   1 -15.092   5.634   3.387
    4    HA   LYS   1           HA       LYS   1 -16.077   4.533   0.925
    5    HB2  LYS   1           HB2      LYS   1 -13.316   5.340   1.859
    6    HB3  LYS   1           HB3      LYS   1 -13.853   5.154   0.195
    7    HG2  LYS   1           HG2      LYS   1 -15.368   7.076   1.837
    8    HG3  LYS   1           HG3      LYS   1 -13.702   7.513   1.456
    9    HD2  LYS   1           HD2      LYS   1 -14.854   8.410  -0.337
   10    HD3  LYS   1           HD3      LYS   1 -14.361   6.837  -0.969
   11    HE2  LYS   1           HE2      LYS   1 -16.761   6.271   0.228
   12    HE3  LYS   1           HE3      LYS   1 -17.030   7.892  -0.413
   13    HZ1  LYS   1           HZ1      LYS   1 -17.146   5.517  -1.803
   14    HZ2  LYS   1           HZ2      LYS   1 -15.716   6.255  -2.325
   15    HZ3  LYS   1           HZ3      LYS   1 -17.190   7.077  -2.454
   16    H    LYS   2           H        LYS   2 -15.885   2.491   0.269
   17    HA   LYS   2           HA       LYS   2 -14.164   0.685   1.839
   18    HB2  LYS   2           HB2      LYS   2 -16.544  -0.190   0.205
   19    HB3  LYS   2           HB3      LYS   2 -15.699  -1.084   1.461
   20    HG2  LYS   2           HG2      LYS   2 -16.645   1.285   2.654
   21    HG3  LYS   2           HG3      LYS   2 -17.967   0.636   1.683
   22    HD2  LYS   2           HD2      LYS   2 -18.375  -0.866   3.270
   23    HD3  LYS   2           HD3      LYS   2 -16.766  -1.546   3.027
   24    HE2  LYS   2           HE2      LYS   2 -16.266  -0.899   5.094
   25    HE3  LYS   2           HE3      LYS   2 -16.357   0.769   4.533
   26    HZ1  LYS   2           HZ1      LYS   2 -18.106  -0.640   6.280
   27    HZ2  LYS   2           HZ2      LYS   2 -18.961   0.013   4.975
   28    HZ3  LYS   2           HZ3      LYS   2 -18.021   1.018   5.958
   29    H    SER   3           H        SER   3 -14.501  -1.507  -0.067
   30    HA   SER   3           HA       SER   3 -13.365  -2.383  -1.847
   31    HB2  SER   3           HB2      SER   3 -13.620   0.357  -3.106
   32    HB3  SER   3           HB3      SER   3 -13.456  -1.194  -3.929
   33    HG   SER   3           HG       SER   3 -15.555  -1.141  -3.963
   34    H    HIS   4           H        HIS   4 -12.053  -0.811   0.334
   35    HA   HIS   4           HA       HIS   4  -9.964   0.742  -0.286
   36    HB2  HIS   4           HB2      HIS   4 -10.466  -1.271   1.786
   37    HB3  HIS   4           HB3      HIS   4  -8.757  -0.918   1.521
   38    HD1  HIS   4           HD1      HIS   4 -10.320  -0.059   4.113
   39    HD2  HIS   4           HD2      HIS   4  -9.627   2.373   0.806
   40    HE1  HIS   4           HE1      HIS   4 -10.544   2.298   4.955
   41    HE2  HIS   4           HE2      HIS   4 -10.029   3.755   2.963
   42    H    THR   5           H        THR   5 -10.121  -2.728  -0.880
   43    HA   THR   5           HA       THR   5  -7.674  -3.586  -1.326
   44    HB   THR   5           HB       THR   5 -10.170  -3.865  -2.869
   45    HG1  THR   5           HG1      THR   5  -8.237  -5.729  -1.946
   46   HG21  THR   5          HG21      THR   5  -8.799  -3.581  -4.711
   47   HG22  THR   5          HG22      THR   5  -8.931  -5.332  -4.493
   48   HG23  THR   5          HG23      THR   5  -7.480  -4.476  -3.954
   49    H    ALA   6           H        ALA   6  -9.355  -1.405  -3.551
   50    HA   ALA   6           HA       ALA   6  -6.946  -0.934  -5.078
   51    HB1  ALA   6           HB1      ALA   6  -8.294  -0.253  -6.723
   52    HB2  ALA   6           HB2      ALA   6  -9.213   0.796  -5.642
   53    HB3  ALA   6           HB3      ALA   6  -9.594  -0.923  -5.739
   54    H    SER   7           H        SER   7  -9.279   1.202  -3.632
   55    HA   SER   7           HA       SER   7  -7.842   3.549  -3.530
   56    HB2  SER   7           HB2      SER   7 -10.161   2.491  -2.170
   57    HB3  SER   7           HB3      SER   7  -9.200   3.482  -1.072
   58    HG   SER   7           HG       SER   7 -10.845   4.291  -2.977
   59    H    TYR   8           H        TYR   8  -7.964   1.166  -0.902
   60    HA   TYR   8           HA       TYR   8  -6.105   2.326   0.765
   61    HB2  TYR   8           HB2      TYR   8  -6.287   0.411   1.941
   62    HB3  TYR   8           HB3      TYR   8  -7.485  -0.037   0.740
   63    HD1  TYR   8           HD1      TYR   8  -3.738  -0.037   0.898
   64    HD2  TYR   8           HD2      TYR   8  -7.281  -2.234  -0.004
   65    HE1  TYR   8           HE1      TYR   8  -2.391  -1.973   0.338
   66    HE2  TYR   8           HE2      TYR   8  -5.943  -4.174  -0.555
   67    HH   TYR   8           HH       TYR   8  -3.371  -4.956   0.235
   68    H    LEU   9           H        LEU   9  -5.545   0.110  -1.950
   69    HA   LEU   9           HA       LEU   9  -2.936  -0.481  -1.772
   70    HB2  LEU   9           HB2      LEU   9  -3.243  -1.213  -3.851
   71    HB3  LEU   9           HB3      LEU   9  -4.839  -0.501  -3.783
   72    HG   LEU   9           HG       LEU   9  -3.690   1.641  -4.632
   73   HD11  LEU   9          HD11      LEU   9  -1.671  -0.333  -5.633
   74   HD12  LEU   9          HD12      LEU   9  -1.412   0.658  -4.196
   75   HD13  LEU   9          HD13      LEU   9  -1.647   1.427  -5.768
   76   HD21  LEU   9          HD21      LEU   9  -4.662   1.114  -6.568
   77   HD22  LEU   9          HD22      LEU   9  -4.968  -0.477  -5.871
   78   HD23  LEU   9          HD23      LEU   9  -3.529  -0.206  -6.857
   79    H    ARG  10           H        ARG  10  -4.130   2.664  -3.013
   80    HA   ARG  10           HA       ARG  10  -1.622   3.664  -3.566
   81    HB2  ARG  10           HB2      ARG  10  -2.660   5.587  -4.090
   82    HB3  ARG  10           HB3      ARG  10  -4.118   4.649  -3.809
   83    HG2  ARG  10           HG2      ARG  10  -2.830   6.199  -1.600
   84    HG3  ARG  10           HG3      ARG  10  -3.977   6.932  -2.732
   85    HD2  ARG  10           HD2      ARG  10  -5.710   5.605  -2.056
   86    HD3  ARG  10           HD3      ARG  10  -4.617   4.324  -1.532
   87    HE   ARG  10           HE       ARG  10  -4.953   5.157   0.538
   88   HH11  ARG  10          HH11      ARG  10  -4.997   7.884  -1.649
   89   HH12  ARG  10          HH12      ARG  10  -5.040   9.054  -0.378
   90   HH21  ARG  10          HH21      ARG  10  -5.027   6.703   2.201
   91   HH22  ARG  10          HH22      ARG  10  -5.064   8.389   1.801
   92    H    LEU  11           H        LEU  11  -3.428   3.618  -0.639
   93    HA   LEU  11           HA       LEU  11  -1.893   5.158   1.058
   94    HB2  LEU  11           HB2      LEU  11  -3.890   4.397   1.898
   95    HB3  LEU  11           HB3      LEU  11  -3.651   2.789   1.250
   96    HG   LEU  11           HG       LEU  11  -1.753   2.718   3.139
   97   HD11  LEU  11          HD11      LEU  11  -2.959   3.775   5.184
   98   HD12  LEU  11          HD12      LEU  11  -3.677   4.844   3.979
   99   HD13  LEU  11          HD13      LEU  11  -1.925   4.778   4.166
  100   HD21  LEU  11          HD21      LEU  11  -4.672   2.290   3.739
  101   HD22  LEU  11          HD22      LEU  11  -3.292   1.475   4.477
  102   HD23  LEU  11          HD23      LEU  11  -3.680   1.190   2.779
  103    H    TRP  12           H        TRP  12  -1.810   1.621   0.998
  104    HA   TRP  12           HA       TRP  12   0.603   1.467   2.384
  105    HB2  TRP  12           HB2      TRP  12  -0.161  -0.563   2.770
  106    HB3  TRP  12           HB3      TRP  12  -1.421  -0.324   1.568
  107    HD1  TRP  12           HD1      TRP  12   1.574  -2.304   2.226
  108    HE1  TRP  12           HE1      TRP  12   2.116  -3.834   0.218
  109    HE3  TRP  12           HE3      TRP  12  -1.405  -0.100  -0.993
  110    HZ2  TRP  12           HZ2      TRP  12   1.283  -4.002  -2.516
  111    HZ3  TRP  12           HZ3      TRP  12  -1.562  -0.923  -3.316
  112    HH2  TRP  12           HH2      TRP  12  -0.231  -2.836  -4.074
  113    H    ALA  13           H        ALA  13  -0.143   1.524  -0.974
  114    HA   ALA  13           HA       ALA  13   2.360   0.633  -1.827
  115    HB1  ALA  13           HB1      ALA  13   0.486   0.527  -3.336
  116    HB2  ALA  13           HB2      ALA  13   1.742   1.548  -4.037
  117    HB3  ALA  13           HB3      ALA  13   0.321   2.283  -3.293
  118    H    LEU  14           H        LEU  14   1.018   3.923  -1.522
  119    HA   LEU  14           HA       LEU  14   3.327   5.309  -2.265
  120    HB2  LEU  14           HB2      LEU  14   0.861   6.032  -1.255
  121    HB3  LEU  14           HB3      LEU  14   1.939   6.457   0.060
  122    HG   LEU  14           HG       LEU  14   3.287   7.790  -1.597
  123   HD11  LEU  14          HD11      LEU  14   0.972   7.915  -3.417
  124   HD12  LEU  14          HD12      LEU  14   1.945   6.447  -3.498
  125   HD13  LEU  14          HD13      LEU  14   2.698   8.020  -3.761
  126   HD21  LEU  14          HD21      LEU  14   0.804   9.190  -1.844
  127   HD22  LEU  14          HD22      LEU  14   2.163   9.513  -0.768
  128   HD23  LEU  14          HD23      LEU  14   0.882   8.409  -0.265
  129    H    SER  15           H        SER  15   2.241   4.104   0.887
  130    HA   SER  15           HA       SER  15   4.461   4.751   2.445
  131    HB2  SER  15           HB2      SER  15   2.595   2.362   2.446
  132    HB3  SER  15           HB3      SER  15   3.804   2.631   3.707
  133    HG   SER  15           HG       SER  15   2.746   4.463   4.337
  134    H    LEU  16           H        LEU  16   3.731   1.809   0.638
  135    HA   LEU  16           HA       LEU  16   5.921   0.263   0.914
  136    HB2  LEU  16           HB2      LEU  16   3.780   0.268  -0.753
  137    HB3  LEU  16           HB3      LEU  16   5.064   0.647  -1.891
  138    HG   LEU  16           HG       LEU  16   6.278  -1.412  -0.928
  139   HD11  LEU  16          HD11      LEU  16   3.499  -2.227  -0.155
  140   HD12  LEU  16          HD12      LEU  16   4.625  -1.530   1.007
  141   HD13  LEU  16          HD13      LEU  16   5.023  -3.041   0.190
  142   HD21  LEU  16          HD21      LEU  16   4.226  -2.759  -2.260
  143   HD22  LEU  16          HD22      LEU  16   5.702  -2.095  -2.962
  144   HD23  LEU  16          HD23      LEU  16   4.227  -1.129  -2.933
  145    H    ALA  17           H        ALA  17   5.653   3.197  -0.945
  146    HA   ALA  17           HA       ALA  17   7.992   3.167  -2.422
  147    HB1  ALA  17           HB1      ALA  17   6.144   4.940  -2.346
  148    HB2  ALA  17           HB2      ALA  17   7.799   5.489  -2.611
  149    HB3  ALA  17           HB3      ALA  17   7.061   5.644  -1.016
  150    H    HIS  18           H        HIS  18   7.459   4.175   0.899
  151    HA   HIS  18           HA       HIS  18   9.830   5.184   1.758
  152    HB2  HIS  18           HB2      HIS  18   9.364   4.015   3.919
  153    HB3  HIS  18           HB3      HIS  18   8.027   4.963   3.277
  154    HD1  HIS  18           HD1      HIS  18   6.438   3.467   4.760
  155    HD2  HIS  18           HD2      HIS  18   8.365   1.429   1.646
  156    HE1  HIS  18           HE1      HIS  18   5.146   1.345   4.412
  157    HE2  HIS  18           HE2      HIS  18   6.478   0.031   2.742
  158    H    ALA  19           H        ALA  19   8.988   1.841   1.627
  159    HA   ALA  19           HA       ALA  19  11.580   0.879   2.403
  160    HB1  ALA  19           HB1      ALA  19  10.626  -1.253   2.406
  161    HB2  ALA  19           HB2      ALA  19   9.420  -0.821   1.193
  162    HB3  ALA  19           HB3      ALA  19   9.265  -0.221   2.843
  163    H    GLN  20           H        GLN  20   9.727   1.558  -0.433
  164    HA   GLN  20           HA       GLN  20  11.322   0.099  -2.184
  165    HB2  GLN  20           HB2      GLN  20   9.649   2.532  -2.769
  166    HB3  GLN  20           HB3      GLN  20  10.389   1.518  -3.994
  167    HG2  GLN  20           HG2      GLN  20   8.069   0.986  -2.248
  168    HG3  GLN  20           HG3      GLN  20   8.259   0.719  -3.972
  169   HE21  GLN  20          HE21      GLN  20   9.355  -0.419  -0.820
  170   HE22  GLN  20          HE22      GLN  20   9.594  -2.064  -1.291
  171    H    LEU  21           H        LEU  21  11.543   3.114  -0.611
  172    HA   LEU  21           HA       LEU  21  13.807   3.995  -2.275
  173    HB2  LEU  21           HB2      LEU  21  13.606   6.038  -0.686
  174    HB3  LEU  21           HB3      LEU  21  12.417   5.805  -1.954
  175    HG   LEU  21           HG       LEU  21  11.334   4.453   0.198
  176   HD11  LEU  21          HD11      LEU  21  13.233   5.806   1.429
  177   HD12  LEU  21          HD12      LEU  21  11.641   5.555   2.145
  178   HD13  LEU  21          HD13      LEU  21  12.021   7.084   1.350
  179   HD21  LEU  21          HD21      LEU  21   9.604   5.980   0.047
  180   HD22  LEU  21          HD22      LEU  21  10.342   6.035  -1.553
  181   HD23  LEU  21          HD23      LEU  21  10.684   7.309  -0.379
  182    H    SER  22           H        SER  22  13.039   3.012   1.019
  183    HA   SER  22           HA       SER  22  15.843   3.357   1.796
  184    HB2  SER  22           HB2      SER  22  13.557   2.547   3.593
  185    HB3  SER  22           HB3      SER  22  15.123   3.207   4.061
  186    HG   SER  22           HG       SER  22  14.453   5.134   2.859
  187    H    SER  23           H        SER  23  14.728   1.127   0.045
  188    HA   SER  23           HA       SER  23  16.207  -0.978   1.360
  189    HB2  SER  23           HB2      SER  23  13.465  -0.920   1.804
  190    HB3  SER  23           HB3      SER  23  13.656  -2.095   0.503
  191    HG   SER  23           HG       SER  23  14.228  -3.409   2.030
  192    H    LYS  24           H        LYS  24  14.387   0.202  -1.374
  193    HA   LYS  24           HA       LYS  24  14.237  -0.515  -3.516
  194    HB2  LYS  24           HB2      LYS  24  16.862   0.443  -2.722
  195    HB3  LYS  24           HB3      LYS  24  16.861  -0.390  -4.274
  196    HG2  LYS  24           HG2      LYS  24  14.866   1.739  -3.657
  197    HG3  LYS  24           HG3      LYS  24  16.488   2.155  -4.208
  198    HD2  LYS  24           HD2      LYS  24  15.312   2.074  -6.202
  199    HD3  LYS  24           HD3      LYS  24  15.993   0.449  -6.111
  200    HE2  LYS  24           HE2      LYS  24  13.937  -0.485  -5.446
  201    HE3  LYS  24           HE3      LYS  24  13.253   1.092  -5.062
  202    HZ1  LYS  24           HZ1      LYS  24  12.440   0.110  -7.171
  203    HZ2  LYS  24           HZ2      LYS  24  14.004   0.245  -7.803
  204    HZ3  LYS  24           HZ3      LYS  24  13.146   1.635  -7.362
  205    H    LYS  25           H        LYS  25  14.192  -2.863  -1.960
  206    HA   LYS  25           HA       LYS  25  16.148  -4.737  -2.839
  207    HB2  LYS  25           HB2      LYS  25  13.565  -4.892  -1.355
  208    HB3  LYS  25           HB3      LYS  25  14.215  -6.370  -2.051
  209    HG2  LYS  25           HG2      LYS  25  16.203  -4.835  -0.577
  210    HG3  LYS  25           HG3      LYS  25  14.834  -5.344   0.414
  211    HD2  LYS  25           HD2      LYS  25  16.364  -7.110   0.582
  212    HD3  LYS  25           HD3      LYS  25  15.187  -7.662  -0.611
  213    HE2  LYS  25           HE2      LYS  25  16.790  -7.907  -2.127
  214    HE3  LYS  25           HE3      LYS  25  17.258  -6.218  -1.946
  215    HZ1  LYS  25           HZ1      LYS  25  19.082  -6.826  -0.870
  216    HZ2  LYS  25           HZ2      LYS  25  18.720  -8.442  -1.215
  217    HZ3  LYS  25           HZ3      LYS  25  18.207  -7.752   0.241
  Start of MODEL   13
    1    H1   LYS   1           H1       LYS   1 -17.741   1.974  -1.405
    2    H2   LYS   1           H2       LYS   1 -17.728   3.661  -1.089
    3    H3   LYS   1           H3       LYS   1 -19.219   2.837  -1.307
    4    HA   LYS   1           HA       LYS   1 -18.593   3.401   1.011
    5    HB2  LYS   1           HB2      LYS   1 -20.167   1.547   0.044
    6    HB3  LYS   1           HB3      LYS   1 -18.917   0.446   0.602
    7    HG2  LYS   1           HG2      LYS   1 -19.259   1.956   2.813
    8    HG3  LYS   1           HG3      LYS   1 -20.884   2.007   2.126
    9    HD2  LYS   1           HD2      LYS   1 -20.591  -0.560   1.884
   10    HD3  LYS   1           HD3      LYS   1 -19.299  -0.354   3.068
   11    HE2  LYS   1           HE2      LYS   1 -22.120   0.627   3.471
   12    HE3  LYS   1           HE3      LYS   1 -21.539  -0.940   4.031
   13    HZ1  LYS   1           HZ1      LYS   1 -19.783   1.120   4.866
   14    HZ2  LYS   1           HZ2      LYS   1 -20.647   0.012   5.805
   15    HZ3  LYS   1           HZ3      LYS   1 -21.363   1.477   5.354
   16    H    LYS   2           H        LYS   2 -16.912   0.527  -0.277
   17    HA   LYS   2           HA       LYS   2 -14.651   1.162   1.495
   18    HB2  LYS   2           HB2      LYS   2 -15.768  -1.616   1.045
   19    HB3  LYS   2           HB3      LYS   2 -14.386  -1.201   2.050
   20    HG2  LYS   2           HG2      LYS   2 -16.949   0.137   2.669
   21    HG3  LYS   2           HG3      LYS   2 -16.831  -1.587   3.024
   22    HD2  LYS   2           HD2      LYS   2 -14.477  -0.697   4.029
   23    HD3  LYS   2           HD3      LYS   2 -15.510   0.708   4.305
   24    HE2  LYS   2           HE2      LYS   2 -17.042  -0.563   5.595
   25    HE3  LYS   2           HE3      LYS   2 -16.300  -2.084   5.104
   26    HZ1  LYS   2           HZ1      LYS   2 -15.721  -0.581   7.352
   27    HZ2  LYS   2           HZ2      LYS   2 -14.377  -0.412   6.336
   28    HZ3  LYS   2           HZ3      LYS   2 -14.901  -1.953   6.798
   29    H    SER   3           H        SER   3 -14.633  -1.810  -0.326
   30    HA   SER   3           HA       SER   3 -13.283  -2.517  -2.021
   31    HB2  SER   3           HB2      SER   3 -13.609   0.221  -3.240
   32    HB3  SER   3           HB3      SER   3 -13.439  -1.331  -4.059
   33    HG   SER   3           HG       SER   3 -15.519  -1.867  -3.079
   34    H    HIS   4           H        HIS   4 -12.192  -0.852   0.276
   35    HA   HIS   4           HA       HIS   4 -10.170   0.831  -0.299
   36    HB2  HIS   4           HB2      HIS   4 -10.642  -1.154   1.815
   37    HB3  HIS   4           HB3      HIS   4  -8.949  -0.694   1.608
   38    HD1  HIS   4           HD1      HIS   4 -10.735   0.129   4.094
   39    HD2  HIS   4           HD2      HIS   4  -9.945   2.517   0.773
   40    HE1  HIS   4           HE1      HIS   4 -11.135   2.492   4.855
   41    HE2  HIS   4           HE2      HIS   4 -10.615   3.923   2.846
   42    H    THR   5           H        THR   5 -10.182  -2.619  -0.887
   43    HA   THR   5           HA       THR   5  -7.685  -3.416  -1.143
   44    HB   THR   5           HB       THR   5 -10.048  -3.759  -2.887
   45    HG1  THR   5           HG1      THR   5  -8.274  -5.422  -1.442
   46   HG21  THR   5          HG21      THR   5  -7.258  -4.352  -3.682
   47   HG22  THR   5          HG22      THR   5  -8.537  -3.572  -4.609
   48   HG23  THR   5          HG23      THR   5  -8.615  -5.311  -4.291
   49    H    ALA   6           H        ALA   6  -9.270  -1.389  -3.586
   50    HA   ALA   6           HA       ALA   6  -6.789  -0.877  -4.944
   51    HB1  ALA   6           HB1      ALA   6  -9.180   0.736  -5.558
   52    HB2  ALA   6           HB2      ALA   6  -9.274  -0.998  -5.863
   53    HB3  ALA   6           HB3      ALA   6  -8.024  -0.032  -6.646
   54    H    SER   7           H        SER   7  -9.199   1.213  -3.542
   55    HA   SER   7           HA       SER   7  -7.822   3.602  -3.443
   56    HB2  SER   7           HB2      SER   7 -10.158   2.533  -2.191
   57    HB3  SER   7           HB3      SER   7  -9.218   3.400  -0.975
   58    HG   SER   7           HG       SER   7  -9.147   5.153  -2.570
   59    H    TYR   8           H        TYR   8  -7.941   1.265  -0.772
   60    HA   TYR   8           HA       TYR   8  -6.081   2.472   0.863
   61    HB2  TYR   8           HB2      TYR   8  -6.247   0.588   2.091
   62    HB3  TYR   8           HB3      TYR   8  -7.481   0.131   0.927
   63    HD1  TYR   8           HD1      TYR   8  -3.726   0.061   1.017
   64    HD2  TYR   8           HD2      TYR   8  -7.332  -2.074   0.226
   65    HE1  TYR   8           HE1      TYR   8  -2.433  -1.924   0.487
   66    HE2  TYR   8           HE2      TYR   8  -6.053  -4.056  -0.290
   67    HH   TYR   8           HH       TYR   8  -3.844  -4.720  -0.972
   68    H    LEU   9           H        LEU   9  -5.542   0.182  -1.791
   69    HA   LEU   9           HA       LEU   9  -2.931  -0.416  -1.646
   70    HB2  LEU   9           HB2      LEU   9  -3.251  -1.148  -3.723
   71    HB3  LEU   9           HB3      LEU   9  -4.854  -0.459  -3.626
   72    HG   LEU   9           HG       LEU   9  -3.753   1.699  -4.505
   73   HD11  LEU   9          HD11      LEU   9  -1.732  -0.238  -5.567
   74   HD12  LEU   9          HD12      LEU   9  -1.453   0.724  -4.113
   75   HD13  LEU   9          HD13      LEU   9  -1.729   1.525  -5.662
   76   HD21  LEU   9          HD21      LEU   9  -3.638  -0.269  -6.668
   77   HD22  LEU   9          HD22      LEU   9  -4.649   1.163  -6.490
   78   HD23  LEU   9          HD23      LEU   9  -5.103  -0.340  -5.690
   79    H    ARG  10           H        ARG  10  -4.129   2.729  -2.894
   80    HA   ARG  10           HA       ARG  10  -1.633   3.715  -3.509
   81    HB2  ARG  10           HB2      ARG  10  -2.655   5.669  -3.976
   82    HB3  ARG  10           HB3      ARG  10  -4.111   4.722  -3.715
   83    HG2  ARG  10           HG2      ARG  10  -2.820   6.231  -1.478
   84    HG3  ARG  10           HG3      ARG  10  -3.980   6.980  -2.587
   85    HD2  ARG  10           HD2      ARG  10  -5.701   5.646  -1.913
   86    HD3  ARG  10           HD3      ARG  10  -4.606   4.342  -1.453
   87    HE   ARG  10           HE       ARG  10  -4.899   5.100   0.650
   88   HH11  ARG  10          HH11      ARG  10  -4.989   7.906  -1.433
   89   HH12  ARG  10          HH12      ARG  10  -5.004   9.029  -0.120
   90   HH21  ARG  10          HH21      ARG  10  -4.931   6.586   2.371
   91   HH22  ARG  10          HH22      ARG  10  -4.978   8.284   2.036
   92    H    LEU  11           H        LEU  11  -3.366   3.674  -0.545
   93    HA   LEU  11           HA       LEU  11  -1.786   5.213   1.116
   94    HB2  LEU  11           HB2      LEU  11  -3.756   4.473   2.017
   95    HB3  LEU  11           HB3      LEU  11  -3.570   2.871   1.340
   96    HG   LEU  11           HG       LEU  11  -1.613   2.756   3.178
   97   HD11  LEU  11          HD11      LEU  11  -3.300   3.907   5.113
   98   HD12  LEU  11          HD12      LEU  11  -3.070   5.124   3.857
   99   HD13  LEU  11          HD13      LEU  11  -1.672   4.405   4.655
  100   HD21  LEU  11          HD21      LEU  11  -3.530   1.226   2.835
  101   HD22  LEU  11          HD22      LEU  11  -4.526   2.311   3.808
  102   HD23  LEU  11          HD23      LEU  11  -3.138   1.498   4.533
  103    H    TRP  12           H        TRP  12  -1.720   1.673   1.053
  104    HA   TRP  12           HA       TRP  12   0.721   1.502   2.385
  105    HB2  TRP  12           HB2      TRP  12  -0.047  -0.530   2.763
  106    HB3  TRP  12           HB3      TRP  12  -1.315  -0.284   1.570
  107    HD1  TRP  12           HD1      TRP  12   1.716  -2.241   2.180
  108    HE1  TRP  12           HE1      TRP  12   2.257  -3.742   0.149
  109    HE3  TRP  12           HE3      TRP  12  -1.353  -0.065  -0.966
  110    HZ2  TRP  12           HZ2      TRP  12   1.373  -3.907  -2.569
  111    HZ3  TRP  12           HZ3      TRP  12  -1.547  -0.877  -3.291
  112    HH2  TRP  12           HH2      TRP  12  -0.196  -2.759  -4.088
  113    H    ALA  13           H        ALA  13  -0.098   1.604  -0.950
  114    HA   ALA  13           HA       ALA  13   2.382   0.721  -1.876
  115    HB1  ALA  13           HB1      ALA  13   1.706   1.648  -4.057
  116    HB2  ALA  13           HB2      ALA  13   0.319   2.403  -3.271
  117    HB3  ALA  13           HB3      ALA  13   0.453   0.644  -3.326
  118    H    LEU  14           H        LEU  14   1.059   4.004  -1.463
  119    HA   LEU  14           HA       LEU  14   3.354   5.395  -2.259
  120    HB2  LEU  14           HB2      LEU  14   0.975   5.982  -0.643
  121    HB3  LEU  14           HB3      LEU  14   2.394   6.869  -0.117
  122    HG   LEU  14           HG       LEU  14   2.538   7.346  -2.761
  123   HD11  LEU  14          HD11      LEU  14   0.051   7.978  -3.281
  124   HD12  LEU  14          HD12      LEU  14  -0.299   6.665  -2.158
  125   HD13  LEU  14          HD13      LEU  14   0.652   6.353  -3.610
  126   HD21  LEU  14          HD21      LEU  14   2.646   9.105  -1.198
  127   HD22  LEU  14          HD22      LEU  14   1.006   8.803  -0.625
  128   HD23  LEU  14          HD23      LEU  14   1.268   9.475  -2.234
  129    H    SER  15           H        SER  15   2.339   4.161   0.908
  130    HA   SER  15           HA       SER  15   4.597   4.777   2.424
  131    HB2  SER  15           HB2      SER  15   2.747   2.373   2.424
  132    HB3  SER  15           HB3      SER  15   3.963   2.656   3.678
  133    HG   SER  15           HG       SER  15   1.892   4.477   3.003
  134    H    LEU  16           H        LEU  16   3.819   1.873   0.580
  135    HA   LEU  16           HA       LEU  16   6.001   0.308   0.769
  136    HB2  LEU  16           HB2      LEU  16   3.832   0.359  -0.844
  137    HB3  LEU  16           HB3      LEU  16   5.079   0.798  -2.003
  138    HG   LEU  16           HG       LEU  16   6.337  -1.285  -1.221
  139   HD11  LEU  16          HD11      LEU  16   5.455  -2.683   0.274
  140   HD12  LEU  16          HD12      LEU  16   3.852  -2.588  -0.452
  141   HD13  LEU  16          HD13      LEU  16   4.372  -1.357   0.699
  142   HD21  LEU  16          HD21      LEU  16   4.909  -2.775  -2.625
  143   HD22  LEU  16          HD22      LEU  16   5.311  -1.232  -3.379
  144   HD23  LEU  16          HD23      LEU  16   3.710  -1.484  -2.683
  145    H    ALA  17           H        ALA  17   5.733   3.293  -1.013
  146    HA   ALA  17           HA       ALA  17   8.060   3.280  -2.506
  147    HB1  ALA  17           HB1      ALA  17   7.153   5.724  -1.023
  148    HB2  ALA  17           HB2      ALA  17   6.234   5.067  -2.378
  149    HB3  ALA  17           HB3      ALA  17   7.895   5.612  -2.620
  150    H    HIS  18           H        HIS  18   7.565   4.271   0.833
  151    HA   HIS  18           HA       HIS  18   9.938   5.204   1.713
  152    HB2  HIS  18           HB2      HIS  18   9.521   3.925   3.821
  153    HB3  HIS  18           HB3      HIS  18   8.176   4.913   3.258
  154    HD1  HIS  18           HD1      HIS  18   6.583   3.379   4.677
  155    HD2  HIS  18           HD2      HIS  18   8.477   1.432   1.485
  156    HE1  HIS  18           HE1      HIS  18   5.280   1.276   4.275
  157    HE2  HIS  18           HE2      HIS  18   6.593   0.009   2.553
  158    H    ALA  19           H        ALA  19   9.104   1.878   1.426
  159    HA   ALA  19           HA       ALA  19  11.693   0.859   2.146
  160    HB1  ALA  19           HB1      ALA  19  10.725  -1.229   2.135
  161    HB2  ALA  19           HB2      ALA  19   9.649  -0.839   0.791
  162    HB3  ALA  19           HB3      ALA  19   9.291  -0.241   2.413
  163    H    GLN  20           H        GLN  20   9.787   1.600  -0.648
  164    HA   GLN  20           HA       GLN  20  11.313   0.246  -2.490
  165    HB2  GLN  20           HB2      GLN  20   9.839   2.843  -2.887
  166    HB3  GLN  20           HB3      GLN  20  10.472   1.851  -4.188
  167    HG2  GLN  20           HG2      GLN  20   8.323   1.099  -2.252
  168    HG3  GLN  20           HG3      GLN  20   8.108   1.498  -3.946
  169   HE21  GLN  20          HE21      GLN  20  10.794  -0.065  -4.258
  170   HE22  GLN  20          HE22      GLN  20  10.263  -1.702  -4.353
  171    H    LEU  21           H        LEU  21  11.856   3.023  -0.625
  172    HA   LEU  21           HA       LEU  21  14.188   3.826  -2.257
  173    HB2  LEU  21           HB2      LEU  21  14.021   5.693  -0.277
  174    HB3  LEU  21           HB3      LEU  21  13.306   5.844  -1.870
  175    HG   LEU  21           HG       LEU  21  11.557   4.425  -0.044
  176   HD11  LEU  21          HD11      LEU  21  11.178   6.985   0.914
  177   HD12  LEU  21          HD12      LEU  21  12.922   6.732   1.007
  178   HD13  LEU  21          HD13      LEU  21  11.823   5.598   1.796
  179   HD21  LEU  21          HD21      LEU  21   9.962   6.120  -0.841
  180   HD22  LEU  21          HD22      LEU  21  10.800   5.277  -2.146
  181   HD23  LEU  21          HD23      LEU  21  11.283   6.919  -1.701
  182    H    SER  22           H        SER  22  13.323   3.351   1.175
  183    HA   SER  22           HA       SER  22  16.113   3.137   1.906
  184    HB2  SER  22           HB2      SER  22  15.215   2.788   4.208
  185    HB3  SER  22           HB3      SER  22  14.643   4.273   3.450
  186    HG   SER  22           HG       SER  22  13.236   2.112   4.308
  187    H    SER  23           H        SER  23  14.408   1.041   0.272
  188    HA   SER  23           HA       SER  23  15.711  -1.242   1.546
  189    HB2  SER  23           HB2      SER  23  12.905  -0.813   1.743
  190    HB3  SER  23           HB3      SER  23  13.155  -2.159   0.632
  191    HG   SER  23           HG       SER  23  13.413  -3.274   2.392
  192    H    LYS  24           H        LYS  24  14.134   0.220  -1.195
  193    HA   LYS  24           HA       LYS  24  14.036  -0.320  -3.382
  194    HB2  LYS  24           HB2      LYS  24  16.726   0.011  -2.341
  195    HB3  LYS  24           HB3      LYS  24  16.670  -0.682  -3.964
  196    HG2  LYS  24           HG2      LYS  24  15.394   1.218  -4.746
  197    HG3  LYS  24           HG3      LYS  24  15.316   1.862  -3.103
  198    HD2  LYS  24           HD2      LYS  24  17.397   2.712  -3.208
  199    HD3  LYS  24           HD3      LYS  24  18.032   1.306  -4.065
  200    HE2  LYS  24           HE2      LYS  24  17.555   2.177  -6.128
  201    HE3  LYS  24           HE3      LYS  24  16.205   3.142  -5.527
  202    HZ1  LYS  24           HZ1      LYS  24  17.972   4.504  -4.352
  203    HZ2  LYS  24           HZ2      LYS  24  17.875   4.671  -6.034
  204    HZ3  LYS  24           HZ3      LYS  24  19.098   3.728  -5.346
  205    H    LYS  25           H        LYS  25  12.905  -2.388  -3.094
  206    HA   LYS  25           HA       LYS  25  14.454  -4.818  -3.141
  207    HB2  LYS  25           HB2      LYS  25  12.262  -5.939  -3.343
  208    HB3  LYS  25           HB3      LYS  25  12.312  -4.809  -1.996
  209    HG2  LYS  25           HG2      LYS  25  11.181  -3.136  -3.468
  210    HG3  LYS  25           HG3      LYS  25  10.979  -4.418  -4.663
  211    HD2  LYS  25           HD2      LYS  25   8.971  -4.536  -3.550
  212    HD3  LYS  25           HD3      LYS  25   9.925  -5.711  -2.642
  213    HE2  LYS  25           HE2      LYS  25  10.523  -3.489  -1.264
  214    HE3  LYS  25           HE3      LYS  25   8.916  -3.049  -1.840
  215    HZ1  LYS  25           HZ1      LYS  25   8.974  -4.198   0.356
  216    HZ2  LYS  25           HZ2      LYS  25   9.502  -5.595  -0.438
  217    HZ3  LYS  25           HZ3      LYS  25   7.983  -4.943  -0.795
  Start of MODEL   14
    1    H1   LYS   1           H1       LYS   1 -18.278   2.692   2.188
    2    H2   LYS   1           H2       LYS   1 -19.591   2.475   1.107
    3    H3   LYS   1           H3       LYS   1 -18.936   4.039   1.359
    4    HA   LYS   1           HA       LYS   1 -18.261   2.178  -0.553
    5    HB2  LYS   1           HB2      LYS   1 -17.743   4.937   0.206
    6    HB3  LYS   1           HB3      LYS   1 -16.332   4.202  -0.541
    7    HG2  LYS   1           HG2      LYS   1 -18.365   3.408  -2.200
    8    HG3  LYS   1           HG3      LYS   1 -18.860   5.032  -1.722
    9    HD2  LYS   1           HD2      LYS   1 -17.411   5.883  -3.175
   10    HD3  LYS   1           HD3      LYS   1 -16.090   5.137  -2.277
   11    HE2  LYS   1           HE2      LYS   1 -15.754   3.621  -3.876
   12    HE3  LYS   1           HE3      LYS   1 -17.466   3.207  -3.936
   13    HZ1  LYS   1           HZ1      LYS   1 -16.800   5.749  -5.135
   14    HZ2  LYS   1           HZ2      LYS   1 -17.798   4.509  -5.707
   15    HZ3  LYS   1           HZ3      LYS   1 -16.123   4.412  -5.919
   16    H    LYS   2           H        LYS   2 -17.041   0.419  -0.312
   17    HA   LYS   2           HA       LYS   2 -14.682   0.561   1.441
   18    HB2  LYS   2           HB2      LYS   2 -16.188  -1.839   0.370
   19    HB3  LYS   2           HB3      LYS   2 -14.740  -1.930   1.361
   20    HG2  LYS   2           HG2      LYS   2 -15.859  -1.022   3.240
   21    HG3  LYS   2           HG3      LYS   2 -17.258  -0.565   2.267
   22    HD2  LYS   2           HD2      LYS   2 -16.568  -3.418   2.160
   23    HD3  LYS   2           HD3      LYS   2 -17.077  -2.841   3.748
   24    HE2  LYS   2           HE2      LYS   2 -19.108  -3.389   2.854
   25    HE3  LYS   2           HE3      LYS   2 -18.993  -1.703   2.352
   26    HZ1  LYS   2           HZ1      LYS   2 -18.125  -2.483   0.203
   27    HZ2  LYS   2           HZ2      LYS   2 -19.691  -3.047   0.508
   28    HZ3  LYS   2           HZ3      LYS   2 -18.367  -4.083   0.692
   29    H    SER   3           H        SER   3 -14.531  -2.072  -0.687
   30    HA   SER   3           HA       SER   3 -13.091  -2.592  -2.370
   31    HB2  SER   3           HB2      SER   3 -14.700  -1.066  -3.575
   32    HB3  SER   3           HB3      SER   3 -13.553   0.247  -3.308
   33    HG   SER   3           HG       SER   3 -11.991  -1.144  -4.412
   34    H    HIS   4           H        HIS   4 -12.159  -1.070   0.113
   35    HA   HIS   4           HA       HIS   4 -10.154   0.695  -0.250
   36    HB2  HIS   4           HB2      HIS   4 -10.639  -1.454   1.701
   37    HB3  HIS   4           HB3      HIS   4  -8.961  -0.904   1.598
   38    HD1  HIS   4           HD1      HIS   4 -10.875  -0.340   4.060
   39    HD2  HIS   4           HD2      HIS   4 -10.076   2.309   0.947
   40    HE1  HIS   4           HE1      HIS   4 -11.389   1.944   4.976
   41    HE2  HIS   4           HE2      HIS   4 -10.830   3.538   3.105
   42    H    THR   5           H        THR   5 -10.060  -2.685  -1.127
   43    HA   THR   5           HA       THR   5  -7.514  -3.370  -1.273
   44    HB   THR   5           HB       THR   5  -9.723  -3.674  -3.251
   45    HG1  THR   5           HG1      THR   5  -8.343  -5.273  -1.404
   46   HG21  THR   5          HG21      THR   5  -6.871  -4.391  -3.619
   47   HG22  THR   5          HG22      THR   5  -7.967  -3.577  -4.731
   48   HG23  THR   5          HG23      THR   5  -8.166  -5.304  -4.406
   49    H    ALA   6           H        ALA   6  -9.068  -1.367  -3.768
   50    HA   ALA   6           HA       ALA   6  -6.549  -0.680  -4.952
   51    HB1  ALA   6           HB1      ALA   6  -8.878  -0.927  -6.093
   52    HB2  ALA   6           HB2      ALA   6  -7.733   0.286  -6.669
   53    HB3  ALA   6           HB3      ALA   6  -9.063   0.759  -5.612
   54    H    SER   7           H        SER   7  -9.080   1.085  -3.346
   55    HA   SER   7           HA       SER   7  -7.896   3.604  -3.177
   56    HB2  SER   7           HB2      SER   7 -10.084   2.238  -1.873
   57    HB3  SER   7           HB3      SER   7  -9.206   3.237  -0.716
   58    HG   SER   7           HG       SER   7 -10.123   4.898  -1.589
   59    H    TYR   8           H        TYR   8  -7.839   1.152  -0.618
   60    HA   TYR   8           HA       TYR   8  -5.969   2.358   1.009
   61    HB2  TYR   8           HB2      TYR   8  -5.998   0.412   2.168
   62    HB3  TYR   8           HB3      TYR   8  -7.312  -0.002   1.075
   63    HD1  TYR   8           HD1      TYR   8  -3.557  -0.059   0.896
   64    HD2  TYR   8           HD2      TYR   8  -7.207  -2.175   0.276
   65    HE1  TYR   8           HE1      TYR   8  -2.302  -2.015   0.199
   66    HE2  TYR   8           HE2      TYR   8  -5.966  -4.130  -0.408
   67    HH   TYR   8           HH       TYR   8  -3.489  -4.471  -1.492
   68    H    LEU   9           H        LEU   9  -5.477   0.256  -1.798
   69    HA   LEU   9           HA       LEU   9  -2.858  -0.318  -1.763
   70    HB2  LEU   9           HB2      LEU   9  -3.243  -0.921  -3.872
   71    HB3  LEU   9           HB3      LEU   9  -4.840  -0.231  -3.693
   72    HG   LEU   9           HG       LEU   9  -3.762   1.970  -4.459
   73   HD11  LEU   9          HD11      LEU   9  -1.728   0.111  -5.635
   74   HD12  LEU   9          HD12      LEU   9  -1.449   1.025  -4.153
   75   HD13  LEU   9          HD13      LEU   9  -1.753   1.874  -5.669
   76   HD21  LEU   9          HD21      LEU   9  -4.837  -0.272  -5.863
   77   HD22  LEU   9          HD22      LEU   9  -3.620   0.513  -6.870
   78   HD23  LEU   9          HD23      LEU   9  -4.979   1.445  -6.241
   79    H    ARG  10           H        ARG  10  -4.148   2.876  -2.753
   80    HA   ARG  10           HA       ARG  10  -1.703   3.984  -3.362
   81    HB2  ARG  10           HB2      ARG  10  -2.796   5.944  -3.620
   82    HB3  ARG  10           HB3      ARG  10  -4.214   4.922  -3.415
   83    HG2  ARG  10           HG2      ARG  10  -2.928   6.246  -1.063
   84    HG3  ARG  10           HG3      ARG  10  -4.104   7.084  -2.087
   85    HD2  ARG  10           HD2      ARG  10  -5.801   5.646  -1.557
   86    HD3  ARG  10           HD3      ARG  10  -4.672   4.338  -1.197
   87    HE   ARG  10           HE       ARG  10  -4.974   4.919   0.964
   88   HH11  ARG  10          HH11      ARG  10  -5.173   7.866  -0.904
   89   HH12  ARG  10          HH12      ARG  10  -5.266   8.886   0.489
   90   HH21  ARG  10          HH21      ARG  10  -5.119   6.267   2.792
   91   HH22  ARG  10          HH22      ARG  10  -5.243   7.981   2.583
   92    H    LEU  11           H        LEU  11  -3.359   3.692  -0.365
   93    HA   LEU  11           HA       LEU  11  -1.772   5.117   1.382
   94    HB2  LEU  11           HB2      LEU  11  -3.719   4.247   2.239
   95    HB3  LEU  11           HB3      LEU  11  -3.475   2.699   1.461
   96    HG   LEU  11           HG       LEU  11  -1.493   2.548   3.269
   97   HD11  LEU  11          HD11      LEU  11  -2.107   3.507   5.358
   98   HD12  LEU  11          HD12      LEU  11  -3.636   4.098   4.708
   99   HD13  LEU  11          HD13      LEU  11  -2.115   4.807   4.167
  100   HD21  LEU  11          HD21      LEU  11  -3.382   0.982   2.837
  101   HD22  LEU  11          HD22      LEU  11  -4.370   1.954   3.929
  102   HD23  LEU  11          HD23      LEU  11  -2.933   1.131   4.537
  103    H    TRP  12           H        TRP  12  -1.633   1.597   1.054
  104    HA   TRP  12           HA       TRP  12   0.830   1.381   2.328
  105    HB2  TRP  12           HB2      TRP  12   0.105  -0.682   2.592
  106    HB3  TRP  12           HB3      TRP  12  -1.198  -0.376   1.454
  107    HD1  TRP  12           HD1      TRP  12   1.838  -2.360   1.872
  108    HE1  TRP  12           HE1      TRP  12   2.338  -3.730  -0.260
  109    HE3  TRP  12           HE3      TRP  12  -1.275   0.022  -1.083
  110    HZ2  TRP  12           HZ2      TRP  12   1.406  -3.721  -2.971
  111    HZ3  TRP  12           HZ3      TRP  12  -1.511  -0.644  -3.452
  112    HH2  TRP  12           HH2      TRP  12  -0.183  -2.476  -4.388
  113    H    ALA  13           H        ALA  13  -0.027   1.685  -0.985
  114    HA   ALA  13           HA       ALA  13   2.465   0.889  -1.966
  115    HB1  ALA  13           HB1      ALA  13   1.770   1.903  -4.098
  116    HB2  ALA  13           HB2      ALA  13   0.378   2.608  -3.277
  117    HB3  ALA  13           HB3      ALA  13   0.526   0.856  -3.414
  118    H    LEU  14           H        LEU  14   1.084   4.117  -1.362
  119    HA   LEU  14           HA       LEU  14   3.342   5.601  -2.095
  120    HB2  LEU  14           HB2      LEU  14   0.899   6.186  -0.930
  121    HB3  LEU  14           HB3      LEU  14   2.031   6.553   0.353
  122    HG   LEU  14           HG       LEU  14   3.110   7.744  -1.948
  123   HD11  LEU  14          HD11      LEU  14   1.476   8.721  -3.152
  124   HD12  LEU  14          HD12      LEU  14   0.396   8.876  -1.766
  125   HD13  LEU  14          HD13      LEU  14   0.538   7.330  -2.605
  126   HD21  LEU  14          HD21      LEU  14   1.637   9.618  -0.352
  127   HD22  LEU  14          HD22      LEU  14   3.378   9.363  -0.452
  128   HD23  LEU  14          HD23      LEU  14   2.415   8.425   0.687
  129    H    SER  15           H        SER  15   2.372   4.178   0.998
  130    HA   SER  15           HA       SER  15   4.627   4.739   2.534
  131    HB2  SER  15           HB2      SER  15   2.824   2.301   2.420
  132    HB3  SER  15           HB3      SER  15   3.992   2.596   3.714
  133    HG   SER  15           HG       SER  15   1.830   4.299   3.020
  134    H    LEU  16           H        LEU  16   3.877   1.899   0.578
  135    HA   LEU  16           HA       LEU  16   6.091   0.364   0.730
  136    HB2  LEU  16           HB2      LEU  16   3.895   0.466  -0.914
  137    HB3  LEU  16           HB3      LEU  16   5.198   0.799  -2.043
  138    HG   LEU  16           HG       LEU  16   6.328  -1.294  -1.302
  139   HD11  LEU  16          HD11      LEU  16   5.274  -1.419   0.925
  140   HD12  LEU  16          HD12      LEU  16   5.118  -2.916   0.006
  141   HD13  LEU  16          HD13      LEU  16   3.742  -1.823   0.150
  142   HD21  LEU  16          HD21      LEU  16   4.638  -2.827  -2.377
  143   HD22  LEU  16          HD22      LEU  16   5.092  -1.405  -3.315
  144   HD23  LEU  16          HD23      LEU  16   3.554  -1.437  -2.453
  145    H    ALA  17           H        ALA  17   5.758   3.393  -0.939
  146    HA   ALA  17           HA       ALA  17   8.063   3.430  -2.497
  147    HB1  ALA  17           HB1      ALA  17   7.783   5.718  -2.672
  148    HB2  ALA  17           HB2      ALA  17   7.208   5.878  -1.011
  149    HB3  ALA  17           HB3      ALA  17   6.157   5.182  -2.244
  150    H    HIS  18           H        HIS  18   7.578   4.311   0.870
  151    HA   HIS  18           HA       HIS  18   9.933   5.338   1.727
  152    HB2  HIS  18           HB2      HIS  18   9.548   4.039   3.849
  153    HB3  HIS  18           HB3      HIS  18   8.207   5.032   3.294
  154    HD1  HIS  18           HD1      HIS  18   6.650   3.479   4.763
  155    HD2  HIS  18           HD2      HIS  18   8.434   1.576   1.492
  156    HE1  HIS  18           HE1      HIS  18   5.337   1.376   4.376
  157    HE2  HIS  18           HE2      HIS  18   6.588   0.136   2.593
  158    H    ALA  19           H        ALA  19   9.237   1.959   1.869
  159    HA   ALA  19           HA       ALA  19  11.894   1.112   2.405
  160    HB1  ALA  19           HB1      ALA  19   9.318  -0.281   1.737
  161    HB2  ALA  19           HB2      ALA  19  10.287  -0.378   3.210
  162    HB3  ALA  19           HB3      ALA  19  10.840  -1.177   1.737
  163    H    GLN  20           H        GLN  20   9.915   1.735  -0.330
  164    HA   GLN  20           HA       GLN  20  11.332   0.341  -2.255
  165    HB2  GLN  20           HB2      GLN  20   9.059   1.824  -2.212
  166    HB3  GLN  20           HB3      GLN  20  10.145   2.885  -3.091
  167    HG2  GLN  20           HG2      GLN  20  10.256   1.543  -4.862
  168    HG3  GLN  20           HG3      GLN  20  10.143   0.079  -3.892
  169   HE21  GLN  20          HE21      GLN  20   7.814   0.626  -2.505
  170   HE22  GLN  20          HE22      GLN  20   6.481   0.624  -3.604
  171    H    LEU  21           H        LEU  21  11.647   3.408  -0.758
  172    HA   LEU  21           HA       LEU  21  13.823   4.282  -2.517
  173    HB2  LEU  21           HB2      LEU  21  13.606   6.370  -1.003
  174    HB3  LEU  21           HB3      LEU  21  12.340   6.026  -2.171
  175    HG   LEU  21           HG       LEU  21  11.435   4.699   0.024
  176   HD11  LEU  21          HD11      LEU  21  12.801   7.175   1.009
  177   HD12  LEU  21          HD12      LEU  21  13.142   5.503   1.469
  178   HD13  LEU  21          HD13      LEU  21  11.604   6.243   1.913
  179   HD21  LEU  21          HD21      LEU  21   9.696   6.186   0.040
  180   HD22  LEU  21          HD22      LEU  21  10.345   6.375  -1.590
  181   HD23  LEU  21          HD23      LEU  21  10.732   7.566  -0.344
  182    H    SER  22           H        SER  22  13.553   2.545   0.337
  183    HA   SER  22           HA       SER  22  16.255   3.398   1.155
  184    HB2  SER  22           HB2      SER  22  14.675   4.199   2.805
  185    HB3  SER  22           HB3      SER  22  13.953   2.597   2.943
  186    HG   SER  22           HG       SER  22  15.474   3.071   4.619
  187    H    SER  23           H        SER  23  14.301   0.789   0.145
  188    HA   SER  23           HA       SER  23  16.374  -1.049   0.030
  189    HB2  SER  23           HB2      SER  23  16.346  -0.993   2.511
  190    HB3  SER  23           HB3      SER  23  14.660  -1.501   2.490
  191    HG   SER  23           HG       SER  23  15.565  -3.354   1.187
  192    H    LYS  24           H        LYS  24  14.552  -0.449  -1.717
  193    HA   LYS  24           HA       LYS  24  12.128  -1.811  -1.691
  194    HB2  LYS  24           HB2      LYS  24  11.934  -1.188  -3.925
  195    HB3  LYS  24           HB3      LYS  24  13.009   0.021  -3.237
  196    HG2  LYS  24           HG2      LYS  24  14.852  -0.771  -4.370
  197    HG3  LYS  24           HG3      LYS  24  14.165  -2.380  -4.584
  198    HD2  LYS  24           HD2      LYS  24  12.371  -0.998  -5.980
  199    HD3  LYS  24           HD3      LYS  24  13.745   0.095  -6.164
  200    HE2  LYS  24           HE2      LYS  24  14.946  -1.401  -7.402
  201    HE3  LYS  24           HE3      LYS  24  14.209  -2.801  -6.625
  202    HZ1  LYS  24           HZ1      LYS  24  12.554  -1.089  -8.343
  203    HZ2  LYS  24           HZ2      LYS  24  12.412  -2.744  -8.018
  204    HZ3  LYS  24           HZ3      LYS  24  13.618  -2.189  -9.066
  205    H    LYS  25           H        LYS  25  11.459  -3.803  -2.385
  206    HA   LYS  25           HA       LYS  25  13.562  -5.733  -3.130
  207    HB2  LYS  25           HB2      LYS  25  11.186  -6.207  -1.320
  208    HB3  LYS  25           HB3      LYS  25  12.307  -7.449  -1.861
  209    HG2  LYS  25           HG2      LYS  25  14.124  -6.366  -0.686
  210    HG3  LYS  25           HG3      LYS  25  13.051  -5.052  -0.200
  211    HD2  LYS  25           HD2      LYS  25  12.122  -7.761   0.481
  212    HD3  LYS  25           HD3      LYS  25  13.580  -7.229   1.321
  213    HE2  LYS  25           HE2      LYS  25  12.489  -5.598   2.469
  214    HE3  LYS  25           HE3      LYS  25  11.332  -5.306   1.171
  215    HZ1  LYS  25           HZ1      LYS  25  10.545  -6.424   3.341
  216    HZ2  LYS  25           HZ2      LYS  25  11.233  -7.826   2.691
  217    HZ3  LYS  25           HZ3      LYS  25   9.992  -7.029   1.862
  Start of MODEL   15
    1    H1   LYS   1           H1       LYS   1 -19.223   4.159  -1.703
    2    H2   LYS   1           H2       LYS   1 -17.607   4.543  -2.136
    3    H3   LYS   1           H3       LYS   1 -18.044   4.397  -0.482
    4    HA   LYS   1           HA       LYS   1 -18.644   2.066  -0.950
    5    HB2  LYS   1           HB2      LYS   1 -17.390   2.909  -3.548
    6    HB3  LYS   1           HB3      LYS   1 -17.314   1.234  -3.023
    7    HG2  LYS   1           HG2      LYS   1 -19.792   1.223  -2.877
    8    HG3  LYS   1           HG3      LYS   1 -19.794   2.850  -3.563
    9    HD2  LYS   1           HD2      LYS   1 -19.213   2.123  -5.641
   10    HD3  LYS   1           HD3      LYS   1 -18.267   0.769  -5.019
   11    HE2  LYS   1           HE2      LYS   1 -21.157   0.618  -4.504
   12    HE3  LYS   1           HE3      LYS   1 -20.695   0.532  -6.203
   13    HZ1  LYS   1           HZ1      LYS   1 -19.993  -1.299  -4.003
   14    HZ2  LYS   1           HZ2      LYS   1 -19.014  -1.207  -5.378
   15    HZ3  LYS   1           HZ3      LYS   1 -20.638  -1.660  -5.525
   16    H    LYS   2           H        LYS   2 -17.035   0.435  -0.512
   17    HA   LYS   2           HA       LYS   2 -14.652   1.583   0.707
   18    HB2  LYS   2           HB2      LYS   2 -15.964  -1.128   0.849
   19    HB3  LYS   2           HB3      LYS   2 -14.368  -0.833   1.525
   20    HG2  LYS   2           HG2      LYS   2 -15.270   0.834   3.023
   21    HG3  LYS   2           HG3      LYS   2 -16.868   0.660   2.294
   22    HD2  LYS   2           HD2      LYS   2 -15.487  -1.728   3.449
   23    HD3  LYS   2           HD3      LYS   2 -16.305  -0.585   4.516
   24    HE2  LYS   2           HE2      LYS   2 -18.329  -1.321   3.921
   25    HE3  LYS   2           HE3      LYS   2 -17.916  -1.321   2.208
   26    HZ1  LYS   2           HZ1      LYS   2 -17.463  -3.495   2.240
   27    HZ2  LYS   2           HZ2      LYS   2 -18.345  -3.528   3.684
   28    HZ3  LYS   2           HZ3      LYS   2 -16.657  -3.426   3.726
   29    H    SER   3           H        SER   3 -14.688  -1.676  -0.648
   30    HA   SER   3           HA       SER   3 -13.146  -2.717  -1.991
   31    HB2  SER   3           HB2      SER   3 -12.750  -1.392  -4.190
   32    HB3  SER   3           HB3      SER   3 -14.389  -1.925  -3.818
   33    HG   SER   3           HG       SER   3 -13.308   0.637  -3.846
   34    H    HIS   4           H        HIS   4 -12.149  -0.924   0.104
   35    HA   HIS   4           HA       HIS   4 -10.120   0.745  -0.446
   36    HB2  HIS   4           HB2      HIS   4 -10.646  -1.169   1.719
   37    HB3  HIS   4           HB3      HIS   4  -8.954  -0.683   1.564
   38    HD1  HIS   4           HD1      HIS   4 -11.046   0.199   3.868
   39    HD2  HIS   4           HD2      HIS   4  -9.794   2.474   0.615
   40    HE1  HIS   4           HE1      HIS   4 -11.489   2.590   4.508
   41    HE2  HIS   4           HE2      HIS   4 -10.792   3.941   2.501
   42    H    THR   5           H        THR   5 -10.046  -2.730  -0.871
   43    HA   THR   5           HA       THR   5  -7.523  -3.483  -1.031
   44    HB   THR   5           HB       THR   5  -9.855  -3.984  -2.757
   45    HG1  THR   5           HG1      THR   5  -9.661  -5.874  -1.836
   46   HG21  THR   5          HG21      THR   5  -8.353  -3.722  -4.495
   47   HG22  THR   5          HG22      THR   5  -8.403  -5.462  -4.185
   48   HG23  THR   5          HG23      THR   5  -7.054  -4.489  -3.583
   49    H    ALA   6           H        ALA   6  -9.108  -1.518  -3.510
   50    HA   ALA   6           HA       ALA   6  -6.623  -1.035  -4.890
   51    HB1  ALA   6           HB1      ALA   6  -8.728   0.671  -5.785
   52    HB2  ALA   6           HB2      ALA   6  -9.331  -0.976  -5.597
   53    HB3  ALA   6           HB3      ALA   6  -7.939  -0.659  -6.634
   54    H    SER   7           H        SER   7  -9.071   1.100  -3.638
   55    HA   SER   7           HA       SER   7  -7.674   3.480  -3.590
   56    HB2  SER   7           HB2      SER   7  -9.673   2.505  -1.540
   57    HB3  SER   7           HB3      SER   7  -9.153   4.180  -1.725
   58    HG   SER   7           HG       SER   7 -10.936   2.718  -3.210
   59    H    TYR   8           H        TYR   8  -7.936   1.260  -0.827
   60    HA   TYR   8           HA       TYR   8  -6.175   2.512   0.866
   61    HB2  TYR   8           HB2      TYR   8  -6.376   0.646   2.118
   62    HB3  TYR   8           HB3      TYR   8  -7.521   0.133   0.889
   63    HD1  TYR   8           HD1      TYR   8  -3.776   0.178   1.182
   64    HD2  TYR   8           HD2      TYR   8  -7.273  -2.088   0.273
   65    HE1  TYR   8           HE1      TYR   8  -2.400  -1.780   0.773
   66    HE2  TYR   8           HE2      TYR   8  -5.910  -4.043  -0.122
   67    HH   TYR   8           HH       TYR   8  -3.508  -4.846   0.690
   68    H    LEU   9           H        LEU   9  -5.457   0.204  -1.727
   69    HA   LEU   9           HA       LEU   9  -2.846  -0.341  -1.440
   70    HB2  LEU   9           HB2      LEU   9  -3.040  -1.101  -3.524
   71    HB3  LEU   9           HB3      LEU   9  -4.663  -0.453  -3.513
   72    HG   LEU   9           HG       LEU   9  -3.586   1.723  -4.370
   73   HD11  LEU   9          HD11      LEU   9  -1.490   1.617  -5.382
   74   HD12  LEU   9          HD12      LEU   9  -1.447  -0.145  -5.311
   75   HD13  LEU   9          HD13      LEU   9  -1.279   0.801  -3.831
   76   HD21  LEU   9          HD21      LEU   9  -4.595   1.070  -6.234
   77   HD22  LEU   9          HD22      LEU   9  -4.596  -0.589  -5.639
   78   HD23  LEU   9          HD23      LEU   9  -3.247  -0.002  -6.614
   79    H    ARG  10           H        ARG  10  -4.047   2.774  -2.761
   80    HA   ARG  10           HA       ARG  10  -1.557   3.815  -3.290
   81    HB2  ARG  10           HB2      ARG  10  -2.574   5.787  -3.728
   82    HB3  ARG  10           HB3      ARG  10  -4.013   4.788  -3.609
   83    HG2  ARG  10           HG2      ARG  10  -2.935   6.252  -1.232
   84    HG3  ARG  10           HG3      ARG  10  -4.037   7.004  -2.395
   85    HD2  ARG  10           HD2      ARG  10  -5.752   5.576  -1.908
   86    HD3  ARG  10           HD3      ARG  10  -4.645   4.311  -1.373
   87    HE   ARG  10           HE       ARG  10  -5.095   5.032   0.716
   88   HH11  ARG  10          HH11      ARG  10  -5.283   7.825  -1.375
   89   HH12  ARG  10          HH12      ARG  10  -5.528   8.935  -0.074
   90   HH21  ARG  10          HH21      ARG  10  -5.431   6.497   2.423
   91   HH22  ARG  10          HH22      ARG  10  -5.617   8.185   2.079
   92    H    LEU  11           H        LEU  11  -3.376   3.764  -0.372
   93    HA   LEU  11           HA       LEU  11  -1.825   5.325   1.313
   94    HB2  LEU  11           HB2      LEU  11  -3.821   4.606   2.176
   95    HB3  LEU  11           HB3      LEU  11  -3.626   2.996   1.520
   96    HG   LEU  11           HG       LEU  11  -1.698   2.928   3.415
   97   HD11  LEU  11          HD11      LEU  11  -2.034   4.264   5.194
   98   HD12  LEU  11          HD12      LEU  11  -3.788   4.246   5.010
   99   HD13  LEU  11          HD13      LEU  11  -2.807   5.319   4.011
  100   HD21  LEU  11          HD21      LEU  11  -3.237   1.628   4.721
  101   HD22  LEU  11          HD22      LEU  11  -3.537   1.329   3.007
  102   HD23  LEU  11          HD23      LEU  11  -4.617   2.383   3.922
  103    H    TRP  12           H        TRP  12  -1.764   1.783   1.284
  104    HA   TRP  12           HA       TRP  12   0.639   1.625   2.686
  105    HB2  TRP  12           HB2      TRP  12  -0.143  -0.406   3.040
  106    HB3  TRP  12           HB3      TRP  12  -1.350  -0.182   1.783
  107    HD1  TRP  12           HD1      TRP  12   1.712  -2.055   2.540
  108    HE1  TRP  12           HE1      TRP  12   2.361  -3.566   0.547
  109    HE3  TRP  12           HE3      TRP  12  -1.300   0.005  -0.726
  110    HZ2  TRP  12           HZ2      TRP  12   1.572  -3.780  -2.203
  111    HZ3  TRP  12           HZ3      TRP  12  -1.395  -0.830  -3.049
  112    HH2  TRP  12           HH2      TRP  12   0.028  -2.684  -3.785
  113    H    ALA  13           H        ALA  13  -0.096   1.714  -0.672
  114    HA   ALA  13           HA       ALA  13   2.427   0.874  -1.530
  115    HB1  ALA  13           HB1      ALA  13   0.571   0.730  -3.048
  116    HB2  ALA  13           HB2      ALA  13   1.792   1.803  -3.734
  117    HB3  ALA  13           HB3      ALA  13   0.346   2.479  -2.981
  118    H    LEU  14           H        LEU  14   1.033   4.078  -0.983
  119    HA   LEU  14           HA       LEU  14   3.226   5.606  -1.805
  120    HB2  LEU  14           HB2      LEU  14   0.918   5.980  -0.033
  121    HB3  LEU  14           HB3      LEU  14   2.323   6.892   0.484
  122    HG   LEU  14           HG       LEU  14   2.268   7.510  -2.163
  123   HD11  LEU  14          HD11      LEU  14   0.236   6.363  -2.656
  124   HD12  LEU  14          HD12      LEU  14  -0.110   8.092  -2.652
  125   HD13  LEU  14          HD13      LEU  14  -0.579   7.097  -1.275
  126   HD21  LEU  14          HD21      LEU  14   0.806   9.525  -1.215
  127   HD22  LEU  14          HD22      LEU  14   2.511   9.321  -0.818
  128   HD23  LEU  14          HD23      LEU  14   1.272   8.786   0.316
  129    H    SER  15           H        SER  15   2.397   4.240   1.362
  130    HA   SER  15           HA       SER  15   4.751   4.792   2.754
  131    HB2  SER  15           HB2      SER  15   2.857   2.428   2.809
  132    HB3  SER  15           HB3      SER  15   4.175   2.620   3.971
  133    HG   SER  15           HG       SER  15   1.750   3.739   4.008
  134    H    LEU  16           H        LEU  16   3.843   1.920   0.910
  135    HA   LEU  16           HA       LEU  16   6.032   0.350   0.953
  136    HB2  LEU  16           HB2      LEU  16   3.782   0.300  -0.453
  137    HB3  LEU  16           HB3      LEU  16   4.836   0.899  -1.721
  138    HG   LEU  16           HG       LEU  16   6.321  -1.106  -1.287
  139   HD11  LEU  16          HD11      LEU  16   4.032  -2.522  -0.083
  140   HD12  LEU  16          HD12      LEU  16   4.913  -1.420   0.977
  141   HD13  LEU  16          HD13      LEU  16   5.765  -2.737   0.169
  142   HD21  LEU  16          HD21      LEU  16   3.602  -1.136  -2.468
  143   HD22  LEU  16          HD22      LEU  16   4.427  -2.685  -2.282
  144   HD23  LEU  16          HD23      LEU  16   5.173  -1.397  -3.227
  145    H    ALA  17           H        ALA  17   5.649   3.337  -0.797
  146    HA   ALA  17           HA       ALA  17   7.864   3.323  -2.452
  147    HB1  ALA  17           HB1      ALA  17   6.070   5.123  -2.187
  148    HB2  ALA  17           HB2      ALA  17   7.715   5.662  -2.527
  149    HB3  ALA  17           HB3      ALA  17   7.076   5.757  -0.885
  150    H    HIS  18           H        HIS  18   7.610   4.247   0.927
  151    HA   HIS  18           HA       HIS  18  10.042   5.187   1.648
  152    HB2  HIS  18           HB2      HIS  18   9.738   3.925   3.790
  153    HB3  HIS  18           HB3      HIS  18   8.364   4.907   3.294
  154    HD1  HIS  18           HD1      HIS  18   6.874   3.361   4.825
  155    HD2  HIS  18           HD2      HIS  18   8.550   1.437   1.502
  156    HE1  HIS  18           HE1      HIS  18   5.545   1.260   4.496
  157    HE2  HIS  18           HE2      HIS  18   6.748   0.002   2.690
  158    H    ALA  19           H        ALA  19   9.198   1.839   1.530
  159    HA   ALA  19           HA       ALA  19  11.853   0.888   2.044
  160    HB1  ALA  19           HB1      ALA  19  10.818  -1.358   1.562
  161    HB2  ALA  19           HB2      ALA  19   9.292  -0.520   1.287
  162    HB3  ALA  19           HB3      ALA  19  10.056  -0.460   2.874
  163    H    GLN  20           H        GLN  20   9.780   1.596  -0.629
  164    HA   GLN  20           HA       GLN  20  11.281   0.191  -2.514
  165    HB2  GLN  20           HB2      GLN  20   9.536   2.596  -2.983
  166    HB3  GLN  20           HB3      GLN  20  10.145   1.525  -4.233
  167    HG2  GLN  20           HG2      GLN  20   7.929   1.177  -2.352
  168    HG3  GLN  20           HG3      GLN  20   8.093   0.644  -4.015
  169   HE21  GLN  20          HE21      GLN  20   8.796  -0.097  -0.682
  170   HE22  GLN  20          HE22      GLN  20   9.156  -1.770  -0.919
  171    H    LEU  21           H        LEU  21  11.544   3.169  -0.891
  172    HA   LEU  21           HA       LEU  21  13.666   4.150  -2.689
  173    HB2  LEU  21           HB2      LEU  21  13.441   6.226  -1.218
  174    HB3  LEU  21           HB3      LEU  21  12.110   5.846  -2.298
  175    HG   LEU  21           HG       LEU  21  11.283   4.565  -0.081
  176   HD11  LEU  21          HD11      LEU  21  12.398   7.045   1.116
  177   HD12  LEU  21          HD12      LEU  21  13.401   5.597   1.015
  178   HD13  LEU  21          HD13      LEU  21  11.872   5.550   1.892
  179   HD21  LEU  21          HD21      LEU  21  10.701   7.457  -0.124
  180   HD22  LEU  21          HD22      LEU  21   9.610   6.074  -0.044
  181   HD23  LEU  21          HD23      LEU  21  10.337   6.535  -1.583
  182    H    SER  22           H        SER  22  13.173   2.790   0.462
  183    HA   SER  22           HA       SER  22  16.043   3.153   1.024
  184    HB2  SER  22           HB2      SER  22  14.177   4.474   2.437
  185    HB3  SER  22           HB3      SER  22  14.196   2.961   3.341
  186    HG   SER  22           HG       SER  22  15.722   4.443   4.159
  187    H    SER  23           H        SER  23  14.693   0.911  -0.221
  188    HA   SER  23           HA       SER  23  15.794  -1.167   1.423
  189    HB2  SER  23           HB2      SER  23  13.221  -0.600   2.069
  190    HB3  SER  23           HB3      SER  23  12.975  -1.800   0.799
  191    HG   SER  23           HG       SER  23  14.429  -3.168   1.989
  192    H    LYS  24           H        LYS  24  14.063  -0.150  -1.425
  193    HA   LYS  24           HA       LYS  24  13.676  -1.171  -3.416
  194    HB2  LYS  24           HB2      LYS  24  16.480  -0.598  -2.865
  195    HB3  LYS  24           HB3      LYS  24  16.211  -1.613  -4.280
  196    HG2  LYS  24           HG2      LYS  24  14.793   0.059  -5.261
  197    HG3  LYS  24           HG3      LYS  24  14.867   1.031  -3.788
  198    HD2  LYS  24           HD2      LYS  24  17.389   1.101  -4.163
  199    HD3  LYS  24           HD3      LYS  24  17.054   0.479  -5.780
  200    HE2  LYS  24           HE2      LYS  24  16.997   2.698  -6.256
  201    HE3  LYS  24           HE3      LYS  24  15.317   2.493  -5.760
  202    HZ1  LYS  24           HZ1      LYS  24  15.646   3.626  -3.844
  203    HZ2  LYS  24           HZ2      LYS  24  16.864   4.366  -4.757
  204    HZ3  LYS  24           HZ3      LYS  24  17.254   3.128  -3.672
  205    H    LYS  25           H        LYS  25  12.839  -3.162  -2.103
  206    HA   LYS  25           HA       LYS  25  13.923  -5.491  -3.399
  207    HB2  LYS  25           HB2      LYS  25  14.402  -6.768  -1.398
  208    HB3  LYS  25           HB3      LYS  25  15.372  -5.302  -1.402
  209    HG2  LYS  25           HG2      LYS  25  13.885  -4.267   0.195
  210    HG3  LYS  25           HG3      LYS  25  12.812  -5.667   0.141
  211    HD2  LYS  25           HD2      LYS  25  14.069  -6.024   2.069
  212    HD3  LYS  25           HD3      LYS  25  14.889  -7.012   0.859
  213    HE2  LYS  25           HE2      LYS  25  16.758  -5.771   0.938
  214    HE3  LYS  25           HE3      LYS  25  15.862  -4.254   1.018
  215    HZ1  LYS  25           HZ1      LYS  25  16.801  -4.295   3.078
  216    HZ2  LYS  25           HZ2      LYS  25  16.790  -5.983   3.193
  217    HZ3  LYS  25           HZ3      LYS  25  15.361  -5.111   3.427
  Start of MODEL   16
    1    H1   LYS   1           H1       LYS   1 -16.999   3.118  -1.995
    2    H2   LYS   1           H2       LYS   1 -18.666   3.415  -1.716
    3    H3   LYS   1           H3       LYS   1 -17.979   1.900  -1.293
    4    HA   LYS   1           HA       LYS   1 -17.415   4.521  -0.082
    5    HB2  LYS   1           HB2      LYS   1 -19.528   2.888   0.338
    6    HB3  LYS   1           HB3      LYS   1 -18.373   2.179   1.458
    7    HG2  LYS   1           HG2      LYS   1 -19.026   3.714   2.920
    8    HG3  LYS   1           HG3      LYS   1 -18.166   4.895   1.930
    9    HD2  LYS   1           HD2      LYS   1 -20.074   5.752   1.059
   10    HD3  LYS   1           HD3      LYS   1 -20.891   4.187   1.038
   11    HE2  LYS   1           HE2      LYS   1 -20.335   5.704   3.576
   12    HE3  LYS   1           HE3      LYS   1 -21.811   5.926   2.638
   13    HZ1  LYS   1           HZ1      LYS   1 -22.435   4.328   4.142
   14    HZ2  LYS   1           HZ2      LYS   1 -20.920   3.579   4.166
   15    HZ3  LYS   1           HZ3      LYS   1 -21.952   3.359   2.843
   16    H    LYS   2           H        LYS   2 -16.763   1.020   0.023
   17    HA   LYS   2           HA       LYS   2 -14.251   1.602   1.442
   18    HB2  LYS   2           HB2      LYS   2 -15.907  -0.918   1.255
   19    HB3  LYS   2           HB3      LYS   2 -14.291  -0.881   1.946
   20    HG2  LYS   2           HG2      LYS   2 -14.982   0.098   3.849
   21    HG3  LYS   2           HG3      LYS   2 -16.170   1.109   3.023
   22    HD2  LYS   2           HD2      LYS   2 -17.790  -0.271   3.664
   23    HD3  LYS   2           HD3      LYS   2 -17.014  -1.592   2.789
   24    HE2  LYS   2           HE2      LYS   2 -15.697  -2.165   4.720
   25    HE3  LYS   2           HE3      LYS   2 -16.293  -0.754   5.593
   26    HZ1  LYS   2           HZ1      LYS   2 -18.362  -1.700   5.882
   27    HZ2  LYS   2           HZ2      LYS   2 -17.346  -3.045   6.040
   28    HZ3  LYS   2           HZ3      LYS   2 -18.182  -2.782   4.593
   29    H    SER   3           H        SER   3 -14.648  -1.456  -0.194
   30    HA   SER   3           HA       SER   3 -13.319  -2.454  -1.772
   31    HB2  SER   3           HB2      SER   3 -14.884  -1.013  -3.151
   32    HB3  SER   3           HB3      SER   3 -13.585   0.177  -3.238
   33    HG   SER   3           HG       SER   3 -13.570  -2.481  -4.223
   34    H    HIS   4           H        HIS   4 -12.042  -0.829   0.339
   35    HA   HIS   4           HA       HIS   4  -9.972   0.748  -0.323
   36    HB2  HIS   4           HB2      HIS   4 -10.461  -1.190   1.819
   37    HB3  HIS   4           HB3      HIS   4  -8.749  -0.863   1.531
   38    HD1  HIS   4           HD1      HIS   4 -10.455   0.113   4.060
   39    HD2  HIS   4           HD2      HIS   4  -9.432   2.406   0.740
   40    HE1  HIS   4           HE1      HIS   4 -10.615   2.504   4.819
   41    HE2  HIS   4           HE2      HIS   4  -9.882   3.868   2.832
   42    H    THR   5           H        THR   5 -10.105  -2.731  -0.818
   43    HA   THR   5           HA       THR   5  -7.663  -3.608  -1.236
   44    HB   THR   5           HB       THR   5 -10.152  -3.909  -2.786
   45    HG1  THR   5           HG1      THR   5  -9.701  -6.080  -2.336
   46   HG21  THR   5          HG21      THR   5  -8.913  -5.420  -4.368
   47   HG22  THR   5          HG22      THR   5  -7.461  -4.559  -3.845
   48   HG23  THR   5          HG23      THR   5  -8.771  -3.674  -4.627
   49    H    ALA   6           H        ALA   6  -9.318  -1.474  -3.533
   50    HA   ALA   6           HA       ALA   6  -6.892  -1.064  -5.049
   51    HB1  ALA   6           HB1      ALA   6  -9.149  -1.258  -6.118
   52    HB2  ALA   6           HB2      ALA   6  -8.213   0.159  -6.596
   53    HB3  ALA   6           HB3      ALA   6  -9.524   0.322  -5.428
   54    H    SER   7           H        SER   7  -9.207   1.139  -3.670
   55    HA   SER   7           HA       SER   7  -7.728   3.463  -3.637
   56    HB2  SER   7           HB2      SER   7  -9.992   2.432  -2.058
   57    HB3  SER   7           HB3      SER   7  -9.062   3.706  -1.269
   58    HG   SER   7           HG       SER   7  -9.653   5.104  -2.784
   59    H    TYR   8           H        TYR   8  -7.922   1.174  -0.926
   60    HA   TYR   8           HA       TYR   8  -6.075   2.336   0.733
   61    HB2  TYR   8           HB2      TYR   8  -6.252   0.435   1.927
   62    HB3  TYR   8           HB3      TYR   8  -7.449  -0.022   0.729
   63    HD1  TYR   8           HD1      TYR   8  -3.696  -0.036   0.872
   64    HD2  TYR   8           HD2      TYR   8  -7.259  -2.233   0.049
   65    HE1  TYR   8           HE1      TYR   8  -2.365  -1.996   0.349
   66    HE2  TYR   8           HE2      TYR   8  -5.937  -4.194  -0.461
   67    HH   TYR   8           HH       TYR   8  -2.629  -4.107  -1.029
   68    H    LEU   9           H        LEU   9  -5.464   0.112  -1.970
   69    HA   LEU   9           HA       LEU   9  -2.846  -0.451  -1.770
   70    HB2  LEU   9           HB2      LEU   9  -3.091  -1.135  -3.874
   71    HB3  LEU   9           HB3      LEU   9  -4.711  -0.487  -3.801
   72    HG   LEU   9           HG       LEU   9  -3.639   1.718  -4.598
   73   HD11  LEU   9          HD11      LEU   9  -1.549  -0.150  -5.650
   74   HD12  LEU   9          HD12      LEU   9  -1.330   0.781  -4.167
   75   HD13  LEU   9          HD13      LEU   9  -1.582   1.613  -5.703
   76   HD21  LEU   9          HD21      LEU   9  -4.979  -0.227  -5.852
   77   HD22  LEU   9          HD22      LEU   9  -3.463  -0.298  -6.749
   78   HD23  LEU   9          HD23      LEU   9  -4.375   1.210  -6.678
   79    H    ARG  10           H        ARG  10  -4.073   2.705  -2.956
   80    HA   ARG  10           HA       ARG  10  -1.585   3.767  -3.485
   81    HB2  ARG  10           HB2      ARG  10  -2.619   5.737  -3.871
   82    HB3  ARG  10           HB3      ARG  10  -4.059   4.741  -3.731
   83    HG2  ARG  10           HG2      ARG  10  -2.914   6.153  -1.355
   84    HG3  ARG  10           HG3      ARG  10  -4.037   6.936  -2.477
   85    HD2  ARG  10           HD2      ARG  10  -5.746   5.492  -1.993
   86    HD3  ARG  10           HD3      ARG  10  -4.628   4.229  -1.474
   87    HE   ARG  10           HE       ARG  10  -5.043   4.948   0.624
   88   HH11  ARG  10          HH11      ARG  10  -5.313   7.731  -1.468
   89   HH12  ARG  10          HH12      ARG  10  -5.568   8.838  -0.165
   90   HH21  ARG  10          HH21      ARG  10  -5.389   6.407   2.335
   91   HH22  ARG  10          HH22      ARG  10  -5.614   8.089   1.990
   92    H    LEU  11           H        LEU  11  -3.377   3.614  -0.555
   93    HA   LEU  11           HA       LEU  11  -1.842   5.121   1.178
   94    HB2  LEU  11           HB2      LEU  11  -3.825   4.337   2.018
   95    HB3  LEU  11           HB3      LEU  11  -3.602   2.753   1.307
   96    HG   LEU  11           HG       LEU  11  -1.678   2.631   3.186
   97   HD11  LEU  11          HD11      LEU  11  -1.850   4.514   4.435
   98   HD12  LEU  11          HD12      LEU  11  -3.100   3.567   5.244
   99   HD13  LEU  11          HD13      LEU  11  -3.547   4.765   4.029
  100   HD21  LEU  11          HD21      LEU  11  -3.195   1.289   4.458
  101   HD22  LEU  11          HD22      LEU  11  -3.554   1.067   2.744
  102   HD23  LEU  11          HD23      LEU  11  -4.589   2.095   3.739
  103    H    TRP  12           H        TRP  12  -1.738   1.584   1.020
  104    HA   TRP  12           HA       TRP  12   0.680   1.400   2.395
  105    HB2  TRP  12           HB2      TRP  12  -0.078  -0.649   2.693
  106    HB3  TRP  12           HB3      TRP  12  -1.309  -0.390   1.464
  107    HD1  TRP  12           HD1      TRP  12   1.765  -2.282   2.107
  108    HE1  TRP  12           HE1      TRP  12   2.387  -3.720   0.053
  109    HE3  TRP  12           HE3      TRP  12  -1.293  -0.110  -1.044
  110    HZ2  TRP  12           HZ2      TRP  12   1.563  -3.835  -2.691
  111    HZ3  TRP  12           HZ3      TRP  12  -1.416  -0.860  -3.394
  112    HH2  TRP  12           HH2      TRP  12  -0.001  -2.686  -4.212
  113    H    ALA  13           H        ALA  13  -0.083   1.577  -0.957
  114    HA   ALA  13           HA       ALA  13   2.418   0.763  -1.871
  115    HB1  ALA  13           HB1      ALA  13   1.781   1.699  -4.031
  116    HB2  ALA  13           HB2      ALA  13   0.415   2.510  -3.264
  117    HB3  ALA  13           HB3      ALA  13   0.472   0.748  -3.330
  118    H    LEU  14           H        LEU  14   1.057   3.984  -1.298
  119    HA   LEU  14           HA       LEU  14   3.299   5.484  -2.024
  120    HB2  LEU  14           HB2      LEU  14   0.977   5.865  -0.231
  121    HB3  LEU  14           HB3      LEU  14   2.379   6.843   0.159
  122    HG   LEU  14           HG       LEU  14   2.357   7.814  -2.080
  123   HD11  LEU  14          HD11      LEU  14   1.100   7.088  -3.799
  124   HD12  LEU  14          HD12      LEU  14  -0.279   6.703  -2.769
  125   HD13  LEU  14          HD13      LEU  14   1.077   5.581  -2.884
  126   HD21  LEU  14          HD21      LEU  14   0.433   9.190  -1.827
  127   HD22  LEU  14          HD22      LEU  14   0.992   8.772  -0.207
  128   HD23  LEU  14          HD23      LEU  14  -0.407   7.950  -0.897
  129    H    SER  15           H        SER  15   2.354   4.086   1.093
  130    HA   SER  15           HA       SER  15   4.624   4.633   2.603
  131    HB2  SER  15           HB2      SER  15   2.799   2.213   2.511
  132    HB3  SER  15           HB3      SER  15   4.011   2.464   3.774
  133    HG   SER  15           HG       SER  15   2.927   4.378   4.353
  134    H    LEU  16           H        LEU  16   3.854   1.813   0.630
  135    HA   LEU  16           HA       LEU  16   6.084   0.278   0.762
  136    HB2  LEU  16           HB2      LEU  16   3.847   0.426  -0.844
  137    HB3  LEU  16           HB3      LEU  16   5.157   0.652  -1.991
  138    HG   LEU  16           HG       LEU  16   4.878  -1.691  -0.105
  139   HD11  LEU  16          HD11      LEU  16   3.409  -2.433  -1.603
  140   HD12  LEU  16          HD12      LEU  16   4.778  -2.614  -2.700
  141   HD13  LEU  16          HD13      LEU  16   3.799  -1.148  -2.746
  142   HD21  LEU  16          HD21      LEU  16   6.827  -2.560  -0.962
  143   HD22  LEU  16          HD22      LEU  16   7.214  -0.840  -0.913
  144   HD23  LEU  16          HD23      LEU  16   6.739  -1.594  -2.435
  145    H    ALA  17           H        ALA  17   5.688   3.308  -0.886
  146    HA   ALA  17           HA       ALA  17   7.953   3.359  -2.509
  147    HB1  ALA  17           HB1      ALA  17   7.013   5.775  -0.998
  148    HB2  ALA  17           HB2      ALA  17   6.072   5.087  -2.322
  149    HB3  ALA  17           HB3      ALA  17   7.705   5.685  -2.618
  150    H    HIS  18           H        HIS  18   7.539   4.065   0.890
  151    HA   HIS  18           HA       HIS  18   9.923   5.158   1.654
  152    HB2  HIS  18           HB2      HIS  18   9.560   3.888   3.812
  153    HB3  HIS  18           HB3      HIS  18   8.214   4.882   3.268
  154    HD1  HIS  18           HD1      HIS  18   6.714   3.297   4.803
  155    HD2  HIS  18           HD2      HIS  18   8.374   1.467   1.426
  156    HE1  HIS  18           HE1      HIS  18   5.384   1.204   4.417
  157    HE2  HIS  18           HE2      HIS  18   6.585  -0.008   2.581
  158    H    ALA  19           H        ALA  19   9.250   1.808   2.182
  159    HA   ALA  19           HA       ALA  19  11.855   0.891   2.511
  160    HB1  ALA  19           HB1      ALA  19  10.318  -0.677   3.212
  161    HB2  ALA  19           HB2      ALA  19  10.737  -1.342   1.633
  162    HB3  ALA  19           HB3      ALA  19   9.253  -0.408   1.830
  163    H    GLN  20           H        GLN  20   9.945   1.650  -0.271
  164    HA   GLN  20           HA       GLN  20  11.440   0.324  -2.196
  165    HB2  GLN  20           HB2      GLN  20   9.198   1.936  -2.169
  166    HB3  GLN  20           HB3      GLN  20  10.366   2.872  -3.083
  167    HG2  GLN  20           HG2      GLN  20  10.238   1.544  -4.833
  168    HG3  GLN  20           HG3      GLN  20  10.312   0.090  -3.842
  169   HE21  GLN  20          HE21      GLN  20   8.093   0.540  -2.251
  170   HE22  GLN  20          HE22      GLN  20   6.668   0.411  -3.220
  171    H    LEU  21           H        LEU  21  11.565   3.465  -0.764
  172    HA   LEU  21           HA       LEU  21  13.853   4.346  -2.319
  173    HB2  LEU  21           HB2      LEU  21  13.594   6.368  -0.695
  174    HB3  LEU  21           HB3      LEU  21  12.420   6.113  -1.974
  175    HG   LEU  21           HG       LEU  21  11.197   4.759  -0.029
  176   HD11  LEU  21          HD11      LEU  21  11.693   5.287   2.078
  177   HD12  LEU  21          HD12      LEU  21  12.098   6.960   1.675
  178   HD13  LEU  21          HD13      LEU  21  13.276   5.673   1.400
  179   HD21  LEU  21          HD21      LEU  21  11.004   7.420  -1.123
  180   HD22  LEU  21          HD22      LEU  21  10.373   7.324   0.521
  181   HD23  LEU  21          HD23      LEU  21   9.738   6.252  -0.730
  182    H    SER  22           H        SER  22  13.345   2.734   0.655
  183    HA   SER  22           HA       SER  22  16.156   3.233   1.384
  184    HB2  SER  22           HB2      SER  22  14.141   4.243   2.851
  185    HB3  SER  22           HB3      SER  22  14.249   2.642   3.581
  186    HG   SER  22           HG       SER  22  15.624   4.377   4.487
  187    H    SER  23           H        SER  23  14.811   1.046  -0.124
  188    HA   SER  23           HA       SER  23  16.210  -1.125   1.038
  189    HB2  SER  23           HB2      SER  23  13.765  -0.722   2.264
  190    HB3  SER  23           HB3      SER  23  13.410  -1.968   1.069
  191    HG   SER  23           HG       SER  23  14.150  -2.785   3.119
  192    H    LYS  24           H        LYS  24  13.789   0.063  -1.139
  193    HA   LYS  24           HA       LYS  24  12.929  -0.700  -3.084
  194    HB2  LYS  24           HB2      LYS  24  14.850  -0.742  -4.762
  195    HB3  LYS  24           HB3      LYS  24  14.653   0.686  -3.756
  196    HG2  LYS  24           HG2      LYS  24  16.941   0.286  -3.766
  197    HG3  LYS  24           HG3      LYS  24  16.365  -0.316  -2.210
  198    HD2  LYS  24           HD2      LYS  24  17.270  -2.300  -2.671
  199    HD3  LYS  24           HD3      LYS  24  16.191  -2.456  -4.057
  200    HE2  LYS  24           HE2      LYS  24  18.319  -2.693  -4.978
  201    HE3  LYS  24           HE3      LYS  24  17.902  -1.012  -5.305
  202    HZ1  LYS  24           HZ1      LYS  24  19.982  -2.102  -3.625
  203    HZ2  LYS  24           HZ2      LYS  24  19.117  -0.833  -2.916
  204    HZ3  LYS  24           HZ3      LYS  24  19.893  -0.602  -4.401
  205    H    LYS  25           H        LYS  25  13.983  -2.302  -5.101
  206    HA   LYS  25           HA       LYS  25  13.353  -4.921  -4.050
  207    HB2  LYS  25           HB2      LYS  25  13.588  -3.698  -6.756
  208    HB3  LYS  25           HB3      LYS  25  13.808  -5.437  -6.628
  209    HG2  LYS  25           HG2      LYS  25  11.454  -4.366  -5.231
  210    HG3  LYS  25           HG3      LYS  25  11.426  -4.226  -6.990
  211    HD2  LYS  25           HD2      LYS  25  10.408  -6.310  -6.400
  212    HD3  LYS  25           HD3      LYS  25  11.982  -6.658  -7.117
  213    HE2  LYS  25           HE2      LYS  25  11.789  -8.060  -5.221
  214    HE3  LYS  25           HE3      LYS  25  12.896  -6.763  -4.769
  215    HZ1  LYS  25           HZ1      LYS  25  10.022  -6.955  -4.047
  216    HZ2  LYS  25           HZ2      LYS  25  11.022  -5.641  -3.679
  217    HZ3  LYS  25           HZ3      LYS  25  11.336  -7.159  -3.003