*HEADER    TOXIN                                   29-JUN-03   1PVZ              
*TITLE     SOLUTION STRUCTURE OF BMP07, A NOVEL POTASSIUM CHANNEL                
*TITLE    2 BLOCKER FROM SCORPION BUTHUS MARTENSI KARSCH, 15 STRUCTURES          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: K+ TOXIN-LIKE PEPTIDE;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: SCORPION NEUROTOXIN, BMP07                                  
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BUTHUS MARTENSI KARSCH;                         
*SOURCE   3 ORGANISM_COMMON: CHINESE SCORPION                                    
*KEYWDS    ALPHA/BETA SCAFFOLD                                                   
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    H.WU, N.ZHANG, Y.WANG, Q.ZHANG, L.OU, M.LI, G.HU                      
*REVDAT   1   18-MAY-04 1PVZ    0                                                

  1 THR  
         HA      2 PRO  HD2     2.60  #     5  1082000.0  e   noesyH2O 178
         HA      2 PRO  HD3     2.50  #   s 5  2353000.0  e   noesyH2O 179
         HB      1 THR  QG2     3.50  #   s 1M 1426000.0  e   noesyH2O 184
  2 PRO  
         HA      2 PRO  HB2     3.10  #     2  1333000.0  e   noesyH2O 256
         HA      2 PRO  HB3     3.30  #     2  1060000.0  e   noesyH2O 257
         HA      3 PHE  HN      2.80  #     2  2611000.0  e   noesyH2O 381
         HB2     2 PRO  QG      4.10 <# m   1   864500.0*2e   noesyH2O 282
         HB3     2 PRO  QG      4.80 ># m   1   276250.0*2e   noesyH2O 232
         QG      2 PRO  HD2     4.30  # m   1   592500.0*2e   noesyH2O 198
         QG      2 PRO  HD3     4.30  # m   1   691500.0*2e   noesyH2O 218
  3 PHE  
         HN      3 PHE  HA      3.50  #     2   693100.0  e   noesyH2O 292
         HN      3 PHE  HB2     3.80 <#     2   420700.0  e   noesyH2O  81
         HN      3 PHE  HB3     4.90 >#     2    86280.0  e   noesyH2O 382
         HA      4 ALA  HN      3.20  #     2  1208000.0  e   noesyH2O 377
         HB2     3 PHE  QD      5.30  # r   1   689000.0*2e   noesyH2O 128
         HB2     4 ALA  HN      3.70 <#     2   475500.0  e   noesyH2O  80
         HB3     3 PHE  QD      5.40  # r   1   563000.0*2e   noesyH2O 130
         HB3     4 ALA  HN      5.00 >#   w 2    29290.0  e   noesyH2O 379
  4 ALA  
         HN      4 ALA  QB      3.50  #   s 2M 1943000.0  e   noesyH2O  77
         HN      5 ILE  HN      4.00  #     2   324800.0  e   noesyH2O 142
         HA      5 ILE  HN      4.10  #     2   265000.0  e   noesyH2O 287
         QB      5 ILE  HN      4.20  #     2M  638700.0  e   noesyH2O  30
         QB     27 PHE  HB3     5.70  #     5M  372800.0  e   noesyH2O 221
         QB     27 PHE  QD      7.10  # r   5M  719000.0*2e   noesyH2O 133
  5 ILE  
         HN      5 ILE  HA      3.90  #     2   354000.0  e   noesyH2O  33
         HN      5 ILE  HB      3.00  #     2  1921000.0  e   noesyH2O  25
         HN      5 ILE  QG2     4.90  #     1M  200300.0  e   noesyH2O  32
         HN      5 ILE  HG12    3.90 >#     1   233400.0  e   noesyH2O  31
         HN      5 ILE  HG13    3.00 <#     1  1077000.0  e   noesyH2O  26
         HN     27 PHE  QD      5.40  # r   5   204350.0*2e   noesyH2O 317
         HN     28 CYSS HN      4.50  #     4   215700.0  e   noesyH2O 311
         HA      5 ILE  HB      3.40  #     2   888300.0  e   noesyH2O 243
         HA      5 ILE  QG2     3.50  #   s 1M 2327000.0  e   noesyH2O 187
         HA      5 ILE  HG12    3.20  #     1   809100.0  e   noesyH2O 188
         HA      5 ILE  HG13    3.40  #     1   540500.0  e   noesyH2O 242
         HA      5 ILE  QD1     4.50  #     1M  301000.0  e   noesyH2O 186
         HA      6 LYS  HN      2.50  #   s 2  5994000.0  e   noesyH2O 364
         HB      5 ILE  QG2     3.50  #   s 1M 4245000.0  e   noesyH2O 237
         HB      5 ILE  HG12    3.10  #     1   948800.0  e   noesyH2O 241
         HB      5 ILE  QD1     3.50  #   s 1M 1524000.0  e   noesyH2O 236
         HB      6 LYS  HN      4.70  #     2   123100.0  e   noesyH2O  62
         HB     28 CYSS HN      3.10  #     5   399800.0  e   noesyH2O  10
         HB     28 CYSS HB2     2.50  #   s 5  1349000.0  e   noesyH2O 471
         HB     28 CYSS HB3     2.50  #   s 5  1993000.0  e   noesyH2O 470
         QG2     5 ILE  HG13    3.70  #     1M  972800.0  e   noesyH2O 239
         QG2     6 LYS  HN      5.00  #     5M  847100.0  e   noesyH2O  64
         QG2    28 CYSS HN      6.00  #   w 5M   42380.0  e   noesyH2O   9
         QG2    28 CYSS HB2     6.00  #   w 5M  235300.0  e   noesyH2O 475
         QG2    28 CYSS HB3     5.90  #     5M  307400.0  e   noesyH2O 473
         HG13    5 ILE  QD1     3.50  #   s 1M 2784000.0  e   noesyH2O 238
         HG13    6 LYS  HN      3.30  #     5   270400.0  e   noesyH2O  67
         QD1    28 CYSS HB2     6.00  #   w 5M  136100.0  e   noesyH2O 474
         QD1    28 CYSS HB3     6.00  #   w 5M  116100.0  e   noesyH2O 472
  6 LYS  
         HN      6 LYS  HA      3.30  #     2   980400.0  e   noesyH2O 363
         HN      6 LYS  HB2     3.40 >#     2   810600.0  e   noesyH2O  60
         HN      6 LYS  HB3     2.70 <#     2  3179000.0  e   noesyH2O  61
         HA      6 LYS  HB3     2.70  #     2  3026000.0  e   noesyH2O 255
         HA      6 LYS  QG      4.40  # i   1   252650.0*2e   noesyH2O 253
         HA      7 CYSS HN      2.50  #   s 2  4897000.0  e   noesyH2O 396
         HA     27 PHE  HA      3.00  #     4  2487000.0  e   noesyH2O 369
         HA     27 PHE  QD      5.00  # r   5   470550.0*2e   noesyH2O 425
         HA     28 CYSS HN      5.00  #     4   118500.0  e   noesyH2O 479
         HB2     6 LYS  QG      3.70 <# m   1  2036000.0*2e   noesyH2O 276
         HB3     6 LYS  QG      4.50 ># m   1   480700.0*2e   noesyH2O 272
         HB3     7 CYSS HN      3.20  #     2  1236000.0  e   noesyH2O  93
         QG      6 LYS  QD      6.00  # mm  1   211375.0*4e   noesyH2O 275
  7 CYSS 
         HN      7 CYSS HB2     3.10  #     2  1445000.0  e   noesyH2O  97
         HN      7 CYSS HB3     3.10  #     2  1483000.0  e   noesyH2O 397
         HN     27 PHE  HA      3.40  #     4  1256000.0  e   noesyH2O 391
         HB2     8 ALA  HN      3.50  #     2   674100.0  e   noesyH2O   7
         HB3     8 ALA  HN      3.20  #     2  1291000.0  e   noesyH2O 331
         HB3    12 ASP  HB2     2.60  #     5  1044000.0  e   noesyH2O 262
         HB3    23 CYSS QB      4.10  # m   5   406050.0*2e   noesyH2O 261
  8 ALA  
         HN      8 ALA  HA      3.70  #     2   457800.0  e   noesyH2O 330
         HN      8 ALA  QB      3.60  #     2M 1728000.0  e   noesyH2O 329
         HN     12 ASP  HB2     3.90  #     3   253900.0  e   noesyH2O 336
         HA      8 ALA  QB      3.50  #   s 2M 2544000.0  e   noesyH2O 170
         QB      9 THR  HN      3.50  #   s 2M 1776000.0  e   noesyH2O  92
         QB      9 THR  QG2     5.40  # m   5M 1745000.0  e   noesyH2O 466
  9 THR  
         HN      9 THR  QG2     3.80  #     1M  970400.0  e   noesyH2O  91
         HB      9 THR  QG2     3.50  #   s 1M 3345000.0  e   noesyH2O 171
         HB     10 ASP  HN      3.00  #     2  1848000.0  e   noesyH2O 338
         HB     11 ALA  HN      3.10  #     3   901900.0  e   noesyH2O 373
         QG2    10 ASP  HN      6.00  #   w 5M  126500.0  e   noesyH2O  24
         QG2    11 ALA  HN      6.00  #   w 5M  216800.0  e   noesyH2O  71
         QG2    12 ASP  HN      6.00  #   w 5M   98940.0  e   noesyH2O 481
 10 ASP  
         HN     10 ASP  HA      3.20  #     2  1112000.0  e   noesyH2O 339
         HN     10 ASP  HB2     2.80 <#     2  2841000.0  e   noesyH2O  21
         HN     10 ASP  HB3     3.50 >#     2   679700.0  e   noesyH2O  22
         HN     11 ALA  HN      3.20  #     2  1169000.0  e   noesyH2O 141
         HA     10 ASP  HB2     2.50  #   s 2  4970000.0  e   noesyH2O 180
         HA     10 ASP  HB3     2.70  #     2  3127000.0  e   noesyH2O 181
         HA     11 ALA  HN      4.40  #     2   177300.0  e   noesyH2O 304
         HA     13 CYSS HN      4.20  #     3   143000.0  e   noesyH2O 299
         HA     13 CYSS HB3     4.10  #     3   169000.0  e   noesyH2O 182
         HA     14 SER  HN      4.90  #     3    60810.0  e   noesyH2O 414
         HA     23 CYSS HN      3.20  #     4  1610000.0  e   noesyH2O 356
         HB2    11 ALA  HN      3.20 <#     2  1186000.0  e   noesyH2O  73
         HB3    11 ALA  HN      4.00 >#     2   308300.0  e   noesyH2O 374
 11 ALA  
         HN     11 ALA  HA      3.00  #     2  1621000.0  e   noesyH2O  75
         HN     11 ALA  QB      3.50  #   s 2M 4735000.0  e   noesyH2O  72
         HN     12 ASP  HN      3.00  #     2  1692000.0  e   noesyH2O 321
         HA     11 ALA  QB      3.50  #   s 2M 6281000.0  e   noesyH2O 183
         HA     14 SER  HN      3.10  #     3  1054000.0  e ! noesyH2O 415
         HA     14 SER  HB2     4.20  #     3   163500.0  e   noesyH2O 284
         HA     14 SER  HB3     4.60  #     3    85700.0  e   noesyH2O 285
         QB     12 ASP  HN      3.50  #   s 2M 1790000.0  e   noesyH2O 122
 12 ASP  
         HN     12 ASP  HA      3.10  #     2  1353000.0  e   noesyH2O 412
         HN     12 ASP  HB2     3.40 >#     2   879900.0  e   noesyH2O 120
         HN     12 ASP  HB3     2.60 <#     2  4449000.0  e   noesyH2O 416
         HN     13 CYSS HN      3.10  #     2  1570000.0  e   noesyH2O 152
         HA     12 ASP  HB2     2.80  #     2  2453000.0  e   noesyH2O 172
         HA     12 ASP  HB3     3.30  #     2  1058000.0  e   noesyH2O 173
         HA     13 CYSS HN      4.70  #     2   118800.0  e   noesyH2O 298
         HB2    13 CYSS HN      4.70  #     2   114300.0  e   noesyH2O 421
 13 CYSS 
         HN     13 CYSS HA      4.00  #     2   290000.0  e   noesyH2O 297
         HN     13 CYSS HB2     3.80 >#     2   399500.0  e   noesyH2O 420
         HN     13 CYSS HB3     2.70 <#     2  3284000.0  e   noesyH2O 116
         HN     14 SER  HN      3.00  #     2  1845000.0  e   noesyH2O 153
         HB2    21 PRO  HG2     2.50  #   s 5  1551000.0  e   noesyH2O 264
 14 SER  
         HN     14 SER  HA      3.30  #     2  1064000.0  e   noesyH2O 413
         HN     14 SER  HB2     3.30  #     2   954600.0  e   noesyH2O 295
         HN     14 SER  HB3     3.30  #     2  1051000.0  e   noesyH2O 296
         HN     15 ARG  HN      3.80  #     2   414700.0  e   noesyH2O 147
         HA     14 SER  HB2     3.40  #     2   856900.0  e   noesyH2O 190
         HA     14 SER  HB3     3.10  #     2  1373000.0  e   noesyH2O 189
         HA     15 ARG  HN      3.20  #     2  1154000.0  e   noesyH2O 388
 15 ARG  
         HN     15 ARG  HA      3.00  #     2  1664000.0  e   noesyH2O 387
         HN     15 ARG  HB2     3.50  #     2   735200.0  e   noesyH2O  85
         HN     16 LYS  HN      3.20  #     2  1183000.0  e   noesyH2O 319
         HA     15 ARG  HB2     3.50 >#     2   707600.0  e   noesyH2O 250
         HA     15 ARG  HB3     3.00 <#     2  1958000.0  e   noesyH2O 251
         HA     15 ARG  HG2     3.10 <#     1   948000.0  e   noesyH2O 248
         HA     15 ARG  HG3     3.70 >#     1   337600.0  e   noesyH2O 249
 16 LYS  
         HN     16 LYS  HA      3.00  #     2  1961000.0  e   noesyH2O 110
         HN     16 LYS  HB2     2.80 <#     2  2845000.0  e   noesyH2O 108
         HN     16 LYS  HB3     3.40 >#     2   890000.0  e   noesyH2O 109
         HN     16 LYS  HG2     3.30  #     1   647900.0  e   noesyH2O 107
         HN     17 CYSS HN      2.80  #     2  2707000.0  e   noesyH2O 150
         HA     16 LYS  HB2     3.20  #     2  1236000.0  e   noesyH2O 246
         HA     16 LYS  HB3     2.90  #     2  2160000.0  e   noesyH2O 247
         HA     16 LYS  HG2     3.30  #     1   676600.0  e   noesyH2O 244
         HA     16 LYS  HG3     3.60  #     1   407300.0  e   noesyH2O 245
         HA     17 CYSS HN      3.80  #     2   428000.0  e   noesyH2O 103
         HB2    17 CYSS HN      3.90  #     2   388300.0  e   noesyH2O  99
         HB3    16 LYS  HG2     3.00  #     1  1079000.0  e   noesyH2O 273
         HB3    17 CYSS HN      4.40  #     2   165700.0  e   noesyH2O 100
 17 CYSS 
         HN     17 CYSS HA      3.70  #     2   496900.0  e   noesyH2O 293
         HN     17 CYSS HB2     3.50  #     2   745300.0  e   noesyH2O 400
         HN     17 CYSS HB3     3.90  #     2   370200.0  e   noesyH2O 399
         HA     17 CYSS HB2     3.30  #     2   987600.0  e   noesyH2O 159
         HA     17 CYSS HB3     3.10  #     2  1563000.0  e   noesyH2O 160
         HA     18 PRO  HD2     3.20 >#     5   332800.0  e   noesyH2O 431
         HA     18 PRO  HD3     2.50 <#   s 5  1414000.0  e   noesyH2O 430
         HB2    18 PRO  HD2     2.50  #   s 5  1655000.0  e   noesyH2O 212
         HB2    18 PRO  HD3     2.70  #     5   869600.0  e   noesyH2O 213
         HB3    18 PRO  HD2     2.60  #     5  1055000.0  e   noesyH2O 214
 18 PRO  
         HA     18 PRO  HB3     2.80  #     2  2664000.0  e   noesyH2O 258
         HA     19 GLY  HN      2.60  #     2  3988000.0  e   noesyH2O 354
         HB2    18 PRO  HD2     2.90  #     1  1541000.0  e   noesyH2O 200
         HB2    18 PRO  HD3     3.20  #     1   838200.0  e   noesyH2O 203
         HB2    19 GLY  HN      4.40  #     2   168900.0  e   noesyH2O  54
         HB3    18 PRO  HG2     2.90  #     1  1524000.0  e   noesyH2O 223
         HB3    18 PRO  HG3     3.00  #     1  1201000.0  e   noesyH2O 224
         HB3    19 GLY  HN      4.10  #     2   280500.0  e   noesyH2O  53
         HG2    18 PRO  HD2     3.60  #     1   405200.0  e   noesyH2O 201
         HG2    18 PRO  HD3     3.10  #     1   886200.0  e   noesyH2O 204
         HG3    18 PRO  HD2     2.70  #     1  2091000.0  e   noesyH2O 202
         HG3    18 PRO  HD3     2.70  #     1  2119000.0  e   noesyH2O 206
 19 GLY  
         HN     19 GLY  HA1     2.70 <#     2  3594000.0  e   noesyH2O 358
         HN     19 GLY  HA2     3.10 >#     2  1403000.0  e   noesyH2O 357
         HN     20 ASN  HN      3.20  #     2  1121000.0  e   noesyH2O 143
         HA1    20 ASN  HN      3.90 >#     2   359300.0  e   noesyH2O 346
         HA2    20 ASN  HN      3.30 <#     2  1006000.0  e   noesyH2O 345
 20 ASN  
         HN     20 ASN  HA      3.40  #     2   898400.0  e   noesyH2O 286
         HN     20 ASN  HB2     4.50  #     2   152800.0  e   noesyH2O  39
         HN     20 ASN  HB3     5.00  #   w 2    71450.0  e   noesyH2O  40
         HN     21 PRO  HD2     3.20 >#     5   348400.0  e   noesyH2O 348
         HN     21 PRO  HD3     2.70 <#     5   890200.0  e   noesyH2O 347
         HA     21 PRO  HD2     3.10  #     5   364100.0  e   noesyH2O 168
         HA     21 PRO  HD3     3.10  #     5   406400.0  e   noesyH2O 169
 21 PRO  
         HB3    21 PRO  HG2     3.40  #     1   534300.0  e   noesyH2O 228
         HB3    21 PRO  HG3     2.80  #     1  1633000.0  e   noesyH2O 462
         HG2    21 PRO  HD2     2.90  #     1  1504000.0  e   noesyH2O 194
         HG2    21 PRO  HD3     3.20  #     1   704600.0  e   noesyH2O 192
         HG3    21 PRO  HD2     3.00  #     1  1075000.0  e   noesyH2O 195
         HG3    21 PRO  HD3     2.60  #     1  2490000.0  e   noesyH2O 193
 22 PRO  
         HA     22 PRO  HB2     2.90  #     2  2086000.0  e   noesyH2O 174
         HA     22 PRO  HB3     2.70  #     2  3335000.0  e   noesyH2O 175
         HA     22 PRO  QD      5.20  # m   1   143000.0*2e   noesyH2O 252
         HA     23 CYSS HN      2.60  #     2  4632000.0  e   noesyH2O 355
         HB2    22 PRO  HG3     3.00  #     1  1247000.0  e   noesyH2O 464
         HB2    22 PRO  QD      4.00 <# m   1  1199000.0*2e   noesyH2O 210
         HB2    23 CYSS HN      3.30 <#     2  1045000.0  e   noesyH2O  57
         HB2    29 ALA  QB      5.00  #     5M  888000.0  e   noesyH2O 269
         HB3    22 PRO  HG2     3.20  #     1   716000.0  e   noesyH2O 229
         HB3    22 PRO  HG3     2.70  #     1  2074000.0  e   noesyH2O 463
         HB3    22 PRO  QD      4.50 ># m   1   450500.0*2e   noesyH2O 209
         HB3    23 CYSS HN      4.90 >#     2    86840.0  e   noesyH2O 361
         HG2    22 PRO  QD      3.80  # m   1  1830500.0*2e   noesyH2O 207
         HG2    29 ALA  QB      4.50  #     5M 1640000.0  e   noesyH2O 270
         HG3    22 PRO  QD      4.10  # m   1   863500.0*2e   noesyH2O 454
         QD     29 ALA  QB      6.10  # m   5M  746500.0*2e   noesyH2O 451
 23 CYSS 
         HN     23 CYSS QB      3.50  # i   2  2184500.0*2e   noesyH2O 359
         HA     24 ARG  HN      3.50  #     2   725900.0  e   noesyH2O 288
         HA     28 CYSS HA      5.00  #
 24 ARG  
         HN     24 ARG  HB2     3.20  #     2  1136000.0  e   noesyH2O  42
         HN     24 ARG  HB3     3.60  #     2   599300.0  e   noesyH2O  43
         HN     27 PHE  HN      3.20  #     3   749100.0  e   noesyH2O 144
         HB2    24 ARG  HG2     2.70  #     1  2199000.0  e   noesyH2O 465
         HB2    24 ARG  QD      4.80  # m   1   267150.0*2e   noesyH2O 260
         HB2    29 ALA  HN      3.20  #     5   329000.0  e   noesyH2O  44
         HB3    24 ARG  HG3     3.00  #     1  1038000.0  e   noesyH2O 280
         HG3    24 ARG  QD      5.00  # m   1   188700.0*2e   noesyH2O 259
 25 ASN  
         HN     25 ASN  HA      2.50  #   s 2  4809000.0  e   noesyH2O 326
         HN     25 ASN  HB2     4.50  #     2   145800.0  e   noesyH2O   4
         HN     26 GLY  HN      3.20  #     2  1209000.0  e   noesyH2O 136
         HA     25 ASN  HB2     3.00  #     2  1697000.0  e   noesyH2O 176
         HA     25 ASN  HB3     2.70  #     2  3590000.0  e   noesyH2O 177
         HA     26 GLY  HN      3.20  #     2  1101000.0  e   noesyH2O 386
 26 GLY  
         HN     26 GLY  HA1     2.60 <#     2  4729000.0  e   noesyH2O 385
         HN     26 GLY  HA2     3.00 >#     2  1875000.0  e   noesyH2O 384
         HN     27 PHE  HN      3.10  #     2  1534000.0  e   noesyH2O 320
         HA1    27 PHE  HN      4.10  #     2   251500.0  e   noesyH2O 301
         HA2    27 PHE  HN      4.00  #     2   299200.0  e   noesyH2O 300
 27 PHE  
         HN     27 PHE  HA      3.30  #     2  1080000.0  e   noesyH2O 408
         HN     27 PHE  HB2     2.90 <#     2  2187000.0  e   noesyH2O 111
         HN     27 PHE  HB3     3.90 >#     2   384500.0  e   noesyH2O 113
         HN     27 PHE  QD      5.40  # r   1   517000.0*2e   noesyH2O 325
         HA     27 PHE  HB2     3.10  #     2  1513000.0  e   noesyH2O 155
         HA     27 PHE  HB3     2.70  #     2  3506000.0  e   noesyH2O 157
         HA     27 PHE  QD      4.10  # m   1   882500.0*2e   noesyH2O 424
         HA     28 CYSS HN      2.60  #     2  3857000.0  e   noesyH2O  15
         HB2    27 PHE  QD      4.70  # r   1  2112500.0*2e   noesyH2O 131
         HB2    28 CYSS HN      4.10 >#     2   254500.0  e   noesyH2O  11
         HB3    27 PHE  QD      4.80  # r   1  1923000.0*2e   noesyH2O 132
         HB3    28 CYSS HN      3.10 <#     2  1486000.0  e   noesyH2O 333
         QD     28 CYSS HN      5.90  # r   5    93950.0*2e   noesyH2O 137
 28 CYSS 
         HN     28 CYSS HB2     3.00  #     2  1661000.0  e   noesyH2O  16
         HN     28 CYSS HB3     3.20  #     2  1261000.0  e   noesyH2O 334
 29 ALA  
         HN     29 ALA  QB      3.50  #   s 2M 3365000.0  e   noesyH2O  41
         HA     29 ALA  QB      4.20  #     2M  638000.0  e   noesyH2O 165
         QB     30 CYSS HN      5.00  #     2M  229300.0  e   noesyH2O 106
 30 CYSS 
         HN     30 CYSS HA      3.40  #     2   796400.0  e   noesyH2O 294
         HN     30 CYSS HB2     2.90 <#     2  2010000.0  e   noesyH2O 104
         HN     30 CYSS HB3     4.00 >#     2   306700.0  e   noesyH2O 105
         HA     31 THR  HN      4.00  #     2   303500.0  e   noesyH2O 289
         HB3    31 THR  HN      4.00  #     2   293000.0  e   noesyH2O 372
 31 THR  
         HN     31 THR  QG2     4.30  #     1M  398700.0  e   noesyH2O  69

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    THR   1          1H        THR   1  -4.599  -5.618   9.624
    2    HA   THR   1           HA       THR   1  -5.762  -8.050   8.477
    3    HB   THR   1           HB       THR   1  -7.627  -6.709   8.283
    4    HG1  THR   1           HG1      THR   1  -6.620  -5.955   5.812
    5   1HG2  THR   1          1HG2      THR   1  -7.725  -4.421   7.418
    6   2HG2  THR   1          2HG2      THR   1  -6.771  -4.498   8.902
    7   3HG2  THR   1          3HG2      THR   1  -5.959  -4.340   7.330
    8    HA   PRO   2           HA       PRO   2  -1.875  -7.090   6.219
    9   2HB   PRO   2          2HB       PRO   2  -1.142  -9.158   7.057
   10   2HG   PRO   2          2HG       PRO   2  -2.585 -11.088   7.082
   11   2HD   PRO   2          2HD       PRO   2  -3.672  -9.469   8.428
   12    H    PHE   3           H        PHE   3  -4.394  -6.322   5.220
   13    HA   PHE   3           HA       PHE   3  -4.283  -6.781   2.347
   14   2HB   PHE   3          2HB       PHE   3  -6.552  -7.534   2.145
   15    HD1  PHE   3           HD1      PHE   3  -6.855  -9.225   5.242
   16    HD2  PHE   3           HD2      PHE   3  -4.639  -9.314   1.547
   17    HE1  PHE   3           HE1      PHE   3  -6.433 -11.650   5.551
   18    HE2  PHE   3           HE2      PHE   3  -4.187 -11.733   1.878
   19    HZ   PHE   3           HZ       PHE   3  -5.094 -12.906   3.873
   20    H    ALA   4           H        ALA   4  -4.827  -4.791   1.476
   21    HA   ALA   4           HA       ALA   4  -6.777  -3.024   2.528
   22   1HB   ALA   4          1HB       ALA   4  -3.897  -2.087   2.984
   23   2HB   ALA   4          2HB       ALA   4  -5.385  -1.171   3.308
   24   3HB   ALA   4          3HB       ALA   4  -5.004  -2.590   4.270
   25    H    ILE   5           H        ILE   5  -4.964  -0.725   1.397
   26    HA   ILE   5           HA       ILE   5  -5.843  -0.893  -1.326
   27    HB   ILE   5           HB       ILE   5  -4.112   0.944   0.337
   28   2HG1  ILE   5          2HG1      ILE   5  -6.619   0.921   0.513
   29   1HG2  ILE   5          1HG2      ILE   5  -3.019   0.999  -1.784
   30   2HG2  ILE   5          2HG2      ILE   5  -4.565   1.190  -2.658
   31   3HG2  ILE   5          3HG2      ILE   5  -3.931   2.484  -1.610
   32   1HD1  ILE   5          1HD1      ILE   5  -5.309   3.002   0.992
   33   2HD1  ILE   5          2HD1      ILE   5  -5.622   3.539  -0.676
   34   3HD1  ILE   5          3HD1      ILE   5  -6.970   3.281   0.435
   35    H    LYS   6           H        LYS   6  -4.918  -2.004  -2.963
   36    HA   LYS   6           HA       LYS   6  -2.739  -3.706  -2.578
   37   2HB   LYS   6          2HB       LYS   6  -3.438  -2.940  -5.390
   38   2HG   LYS   6          2HG       LYS   6  -3.755  -5.300  -5.706
   39   2HD   LYS   6          2HD       LYS   6  -1.217  -4.310  -5.055
   40   2HE   LYS   6          2HE       LYS   6  -1.591  -7.095  -3.828
   41   1HZ   LYS   6          1HZ       LYS   6   0.661  -5.198  -3.549
   42   2HZ   LYS   6          2HZ       LYS   6   0.571  -6.708  -2.968
   43   3HZ   LYS   6          3HZ       LYS   6   0.663  -6.473  -4.602
   44    H    CYS   7           H        CYS   7  -0.562  -3.300  -2.472
   45    HA   CYS   7           HA       CYS   7   0.526  -0.871  -3.853
   46   2HB   CYS   7          2HB       CYS   7   1.108  -2.137  -1.157
   47    H    ALA   8           H        ALA   8   2.624  -0.970  -4.671
   48    HA   ALA   8           HA       ALA   8   3.943  -3.634  -4.900
   49   1HB   ALA   8          1HB       ALA   8   3.678  -2.459  -7.032
   50   2HB   ALA   8          2HB       ALA   8   4.484  -1.023  -6.378
   51   3HB   ALA   8          3HB       ALA   8   5.385  -2.541  -6.556
   52    H    THR   9           H        THR   9   4.908  -0.165  -4.397
   53    HA   THR   9           HA       THR   9   6.633  -0.958  -2.100
   54    HB   THR   9           HB       THR   9   8.289   0.680  -3.116
   55    HG1  THR   9           HG1      THR   9   7.950   1.224  -5.276
   56   1HG2  THR   9          1HG2      THR   9   9.196  -0.849  -4.771
   57   2HG2  THR   9          2HG2      THR   9   8.548  -1.788  -3.414
   58   3HG2  THR   9          3HG2      THR   9   7.641  -1.683  -4.939
   59    H    ASP  10           H        ASP  10   7.410   1.037  -0.970
   60    HA   ASP  10           HA       ASP  10   5.731   2.884   0.172
   61   2HB   ASP  10          2HB       ASP  10   7.965   2.733   0.890
   62    H    ALA  11           H        ALA  11   7.727   3.673  -2.728
   63    HA   ALA  11           HA       ALA  11   6.541   5.972  -3.554
   64   1HB   ALA  11          1HB       ALA  11   7.396   3.681  -5.375
   65   2HB   ALA  11          2HB       ALA  11   7.230   5.387  -5.847
   66   3HB   ALA  11          3HB       ALA  11   8.465   4.910  -4.663
   67    H    ASP  12           H        ASP  12   5.212   2.690  -4.205
   68    HA   ASP  12           HA       ASP  12   3.069   3.661  -5.868
   69   2HB   ASP  12          2HB       ASP  12   2.906   1.048  -4.380
   70    H    CYS  13           H        CYS  13   3.361   2.720  -2.416
   71    HA   CYS  13           HA       CYS  13   0.795   3.252  -1.443
   72   2HB   CYS  13          2HB       CYS  13   2.939   4.582   0.119
   73    H    SER  14           H        SER  14   3.453   5.565  -1.880
   74    HA   SER  14           HA       SER  14   2.150   7.978  -1.402
   75   2HB   SER  14          2HB       SER  14   4.162   8.108  -3.567
   76    HG   SER  14           HG       SER  14   5.120   9.399  -1.866
   77    H    ARG  15           H        ARG  15   2.475   6.247  -4.509
   78    HA   ARG  15           HA       ARG  15   1.267   8.008  -6.265
   79   2HB   ARG  15          2HB       ARG  15   0.760   5.027  -6.298
   80   2HG   ARG  15          2HG       ARG  15   1.565   6.485  -8.748
   81   2HD   ARG  15          2HD       ARG  15  -0.052   4.864  -9.741
   82    HE   ARG  15           HE       ARG  15   1.069   3.021  -7.725
   83   1HH1  ARG  15          1HH1      ARG  15   1.985   5.052 -10.436
   84   2HH1  ARG  15          2HH1      ARG  15   3.199   3.979 -11.072
   85   1HH2  ARG  15          1HH2      ARG  15   2.618   1.488  -8.577
   86   2HH2  ARG  15          2HH2      ARG  15   3.608   1.928  -9.932
   87    H    LYS  16           H        LYS  16  -0.408   5.761  -3.992
   88    HA   LYS  16           HA       LYS  16  -3.059   6.621  -5.027
   89   2HB   LYS  16          2HB       LYS  16  -4.050   5.281  -3.334
   90   2HG   LYS  16          2HG       LYS  16  -3.136   4.086  -5.404
   91   2HD   LYS  16          2HD       LYS  16  -0.962   3.676  -3.382
   92   2HE   LYS  16          2HE       LYS  16  -2.063   1.376  -3.646
   93   1HZ   LYS  16          1HZ       LYS  16  -2.179   1.500  -6.120
   94   2HZ   LYS  16          2HZ       LYS  16  -0.515   1.422  -6.114
   95   3HZ   LYS  16          3HZ       LYS  16  -1.422   0.176  -5.469
   96    H    CYS  17           H        CYS  17  -1.090   6.959  -2.058
   97    HA   CYS  17           HA       CYS  17  -2.757   9.268  -1.165
   98   2HB   CYS  17          2HB       CYS  17  -3.670   7.389  -0.080
   99    HA   PRO  18           HA       PRO  18   1.537  10.301  -1.550
  100   2HB   PRO  18          2HB       PRO  18   0.826  12.190  -2.641
  101   2HG   PRO  18          2HG       PRO  18  -1.100  13.425  -1.886
  102   2HD   PRO  18          2HD       PRO  18  -1.734  11.148  -2.279
  103    H    GLY  19           H        GLY  19   3.335  11.375  -0.454
  104   1HA   GLY  19          1HA       GLY  19   4.412  12.251   1.463
  105   2HA   GLY  19          2HA       GLY  19   3.106  11.680   2.506
  106    H    ASN  20           H        ASN  20   4.181   9.429   0.066
  107    HA   ASN  20           HA       ASN  20   5.175   7.413   0.194
  108   2HB   ASN  20          2HB       ASN  20   7.490   7.418   0.902
  109   1HD2  ASN  20          1HD2      ASN  20   8.463  10.441   0.882
  110   2HD2  ASN  20          2HD2      ASN  20   8.351  10.825  -0.827
  111    HA   PRO  21           HA       PRO  21   3.877   6.347   4.575
  112   2HB   PRO  21          2HB       PRO  21   1.626   6.639   4.502
  113   2HG   PRO  21          2HG       PRO  21   0.548   7.093   2.462
  114   2HD   PRO  21          2HD       PRO  21   2.422   8.417   2.195
  115    HA   PRO  22           HA       PRO  22   5.705   2.466   3.485
  116   2HB   PRO  22          2HB       PRO  22   6.354   2.466   5.728
  117   2HG   PRO  22          2HG       PRO  22   4.768   2.880   7.495
  118   2HD   PRO  22          2HD       PRO  22   4.741   4.782   6.091
  119    H    CYS  23           H        CYS  23   5.313   0.282   2.846
  120    HA   CYS  23           HA       CYS  23   2.468  -0.613   2.861
  121   2HB   CYS  23          2HB       CYS  23   3.011  -2.017   0.929
  122    H    ARG  24           H        ARG  24   2.089  -2.821   3.344
  123    HA   ARG  24           HA       ARG  24   4.339  -4.463   4.283
  124   2HB   ARG  24          2HB       ARG  24   1.906  -4.366   6.047
  125   2HG   ARG  24          2HG       ARG  24   4.147  -5.802   6.290
  126   2HD   ARG  24          2HD       ARG  24   5.759  -4.842   7.768
  127    HE   ARG  24           HE       ARG  24   5.203  -2.994   5.458
  128   1HH1  ARG  24          1HH1      ARG  24   7.671  -4.128   7.741
  129   2HH1  ARG  24          2HH1      ARG  24   8.989  -3.552   6.770
  130   1HH2  ARG  24          1HH2      ARG  24   6.801  -2.271   4.252
  131   2HH2  ARG  24          2HH2      ARG  24   8.495  -2.419   4.693
  132    H    ASN  25           H        ASN  25   3.942  -6.641   3.913
  133    HA   ASN  25           HA       ASN  25   3.148  -8.341   2.661
  134   2HB   ASN  25          2HB       ASN  25   0.336  -7.536   3.494
  135   1HD2  ASN  25          1HD2      ASN  25   0.262  -9.103   1.384
  136   2HD2  ASN  25          2HD2      ASN  25   0.147 -10.812   1.812
  137    H    GLY  26           H        GLY  26   3.527  -5.783   1.312
  138   1HA   GLY  26          1HA       GLY  26   3.160  -4.772  -0.701
  139   2HA   GLY  26          2HA       GLY  26   2.394  -6.273  -1.240
  140    H    PHE  27           H        PHE  27   1.127  -4.422   1.549
  141    HA   PHE  27           HA       PHE  27  -0.957  -3.168  -0.169
  142   2HB   PHE  27          2HB       PHE  27  -2.477  -3.455   1.784
  143    HD1  PHE  27           HD1      PHE  27  -3.472  -4.098  -0.455
  144    HD2  PHE  27           HD2      PHE  27  -1.193  -6.838   1.941
  145    HE1  PHE  27           HE1      PHE  27  -4.571  -6.004  -1.597
  146    HE2  PHE  27           HE2      PHE  27  -2.180  -8.739   0.723
  147    HZ   PHE  27           HZ       PHE  27  -3.881  -8.337  -1.056
  148    H    CYS  28           H        CYS  28  -1.382  -1.050   0.324
  149    HA   CYS  28           HA       CYS  28   0.741   0.365   1.697
  150   2HB   CYS  28          2HB       CYS  28  -1.840   1.355   0.437
  151    H    ALA  29           H        ALA  29   0.769   1.247   3.728
  152    HA   ALA  29           HA       ALA  29  -1.103   0.267   5.625
  153   1HB   ALA  29          1HB       ALA  29   0.137   1.676   7.216
  154   2HB   ALA  29          2HB       ALA  29   1.239   0.788   6.147
  155   3HB   ALA  29          3HB       ALA  29   0.930   2.519   5.868
  156    H    CYS  30           H        CYS  30  -1.156   3.209   3.698
  157    HA   CYS  30           HA       CYS  30  -2.726   4.797   5.490
  158   2HB   CYS  30          2HB       CYS  30  -1.370   5.517   3.409
  159    H    THR  31           H        THR  31  -4.985   5.171   5.528
  160    HA   THR  31           HA       THR  31  -6.633   2.885   4.964
  161    HB   THR  31           HB       THR  31  -7.110   4.380   6.825
  162    HG1  THR  31           HG1      THR  31  -9.329   4.497   6.415
  163   1HG2  THR  31          1HG2      THR  31  -7.893   6.473   4.735
  164   2HG2  THR  31          2HG2      THR  31  -8.135   6.593   6.486
  165   3HG2  THR  31          3HG2      THR  31  -6.497   6.587   5.824
  Start of MODEL    2
    1   1H    THR   1          1H        THR   1 -15.091  -2.742  -5.348
    2    HA   THR   1           HA       THR   1 -12.940  -1.848  -4.191
    3    HB   THR   1           HB       THR   1 -15.462  -2.419  -2.599
    4    HG1  THR   1           HG1      THR   1 -16.336  -0.678  -3.769
    5   1HG2  THR   1          1HG2      THR   1 -15.092  -0.114  -1.780
    6   2HG2  THR   1          2HG2      THR   1 -13.661  -1.105  -1.451
    7   3HG2  THR   1          3HG2      THR   1 -13.654   0.043  -2.809
    8    HA   PRO   2           HA       PRO   2 -11.950  -5.934  -2.074
    9   2HB   PRO   2          2HB       PRO   2 -10.746  -6.778  -3.862
   10   2HG   PRO   2          2HG       PRO   2  -9.672  -5.323  -5.442
   11   2HD   PRO   2          2HD       PRO   2 -11.967  -4.689  -5.368
   12    H    PHE   3           H        PHE   3 -11.192  -5.813   0.009
   13    HA   PHE   3           HA       PHE   3 -10.315  -3.383   1.139
   14   2HB   PHE   3          2HB       PHE   3  -9.830  -4.731   3.134
   15    HD1  PHE   3           HD1      PHE   3 -12.006  -3.219   3.093
   16    HD2  PHE   3           HD2      PHE   3 -11.938  -7.419   2.094
   17    HE1  PHE   3           HE1      PHE   3 -14.437  -3.369   3.535
   18    HE2  PHE   3           HE2      PHE   3 -14.371  -7.554   2.531
   19    HZ   PHE   3           HZ       PHE   3 -15.626  -5.535   3.256
   20    H    ALA   4           H        ALA   4  -8.358  -2.491   1.389
   21    HA   ALA   4           HA       ALA   4  -6.169  -2.146   1.600
   22   1HB   ALA   4          1HB       ALA   4  -4.619  -3.887   2.131
   23   2HB   ALA   4          2HB       ALA   4  -6.137  -4.157   2.992
   24   3HB   ALA   4          3HB       ALA   4  -5.734  -5.146   1.579
   25    H    ILE   5           H        ILE   5  -5.514  -1.045  -0.104
   26    HA   ILE   5           HA       ILE   5  -5.480  -1.989  -2.815
   27    HB   ILE   5           HB       ILE   5  -4.199   0.405  -1.436
   28   2HG1  ILE   5          2HG1      ILE   5  -6.856   0.066  -1.505
   29   1HG2  ILE   5          1HG2      ILE   5  -4.184   1.425  -3.745
   30   2HG2  ILE   5          2HG2      ILE   5  -3.075   0.072  -3.560
   31   3HG2  ILE   5          3HG2      ILE   5  -4.622  -0.163  -4.401
   32   1HD1  ILE   5          1HD1      ILE   5  -5.488   2.649  -2.333
   33   2HD1  ILE   5          2HD1      ILE   5  -7.152   2.484  -1.731
   34   3HD1  ILE   5          3HD1      ILE   5  -5.781   2.083  -0.679
   35    H    LYS   6           H        LYS   6  -3.832  -3.130  -3.856
   36    HA   LYS   6           HA       LYS   6  -1.512  -3.907  -2.336
   37   2HB   LYS   6          2HB       LYS   6  -0.827  -4.944  -4.640
   38   2HG   LYS   6          2HG       LYS   6  -2.411  -6.827  -4.409
   39   2HD   LYS   6          2HD       LYS   6  -1.436  -5.893  -1.697
   40   2HE   LYS   6          2HE       LYS   6  -1.189  -8.725  -2.619
   41   1HZ   LYS   6          1HZ       LYS   6  -0.226  -7.895  -0.425
   42   2HZ   LYS   6          2HZ       LYS   6  -1.730  -7.501   0.015
   43   3HZ   LYS   6          3HZ       LYS   6  -1.360  -9.066  -0.249
   44    H    CYS   7           H        CYS   7   0.688  -3.728  -3.011
   45    HA   CYS   7           HA       CYS   7   1.586  -1.127  -4.085
   46   2HB   CYS   7          2HB       CYS   7   1.482  -1.988  -1.154
   47    H    ALA   8           H        ALA   8   3.641  -1.658  -4.984
   48    HA   ALA   8           HA       ALA   8   5.032  -4.083  -3.952
   49   1HB   ALA   8          1HB       ALA   8   5.583  -2.424  -6.443
   50   2HB   ALA   8          2HB       ALA   8   6.379  -3.925  -5.946
   51   3HB   ALA   8          3HB       ALA   8   4.661  -3.940  -6.393
   52    H    THR   9           H        THR   9   5.512  -0.588  -4.734
   53    HA   THR   9           HA       THR   9   7.706  -0.514  -2.676
   54    HB   THR   9           HB       THR   9   8.808   1.146  -4.155
   55    HG1  THR   9           HG1      THR   9   8.045   1.289  -6.293
   56   1HG2  THR   9          1HG2      THR   9   8.275  -1.493  -5.585
   57   2HG2  THR   9          2HG2      THR   9   9.680  -0.429  -5.784
   58   3HG2  THR   9          3HG2      THR   9   9.425  -1.276  -4.247
   59    H    ASP  10           H        ASP  10   8.145   1.494  -1.783
   60    HA   ASP  10           HA       ASP  10   6.534   3.337  -0.613
   61   2HB   ASP  10          2HB       ASP  10   8.863   3.600  -0.383
   62    H    ALA  11           H        ALA  11   7.826   3.883  -3.905
   63    HA   ALA  11           HA       ALA  11   6.398   5.962  -4.779
   64   1HB   ALA  11          1HB       ALA  11   6.654   5.121  -7.048
   65   2HB   ALA  11          2HB       ALA  11   8.092   4.738  -6.083
   66   3HB   ALA  11          3HB       ALA  11   6.900   3.470  -6.442
   67    H    ASP  12           H        ASP  12   5.021   2.610  -4.705
   68    HA   ASP  12           HA       ASP  12   2.672   3.252  -6.273
   69   2HB   ASP  12          2HB       ASP  12   1.829   1.115  -5.538
   70    H    CYS  13           H        CYS  13   3.263   2.941  -2.764
   71    HA   CYS  13           HA       CYS  13   0.683   3.853  -1.898
   72   2HB   CYS  13          2HB       CYS  13   2.213   5.023  -0.058
   73    H    SER  14           H        SER  14   3.698   5.632  -2.524
   74    HA   SER  14           HA       SER  14   2.928   8.178  -2.011
   75   2HB   SER  14          2HB       SER  14   4.581   8.040  -4.474
   76    HG   SER  14           HG       SER  14   5.925   8.655  -2.301
   77    H    ARG  15           H        ARG  15   2.434   6.652  -5.273
   78    HA   ARG  15           HA       ARG  15   1.186   8.936  -6.452
   79   2HB   ARG  15          2HB       ARG  15  -0.138   7.314  -7.834
   80   2HG   ARG  15          2HG       ARG  15   2.184   8.120  -8.549
   81   2HD   ARG  15          2HD       ARG  15   2.688   5.409  -7.410
   82    HE   ARG  15           HE       ARG  15   3.695   6.195 -10.072
   83   1HH1  ARG  15          1HH1      ARG  15   4.186   4.152  -7.290
   84   2HH1  ARG  15          2HH1      ARG  15   4.420   2.665  -8.115
   85   1HH2  ARG  15          1HH2      ARG  15   4.455   4.329 -11.327
   86   2HH2  ARG  15          2HH2      ARG  15   4.927   2.887 -10.473
   87    H    LYS  16           H        LYS  16  -0.225   6.358  -4.392
   88    HA   LYS  16           HA       LYS  16  -2.928   7.257  -5.056
   89   2HB   LYS  16          2HB       LYS  16  -2.439   5.202  -2.924
   90   2HG   LYS  16          2HG       LYS  16  -4.109   3.939  -4.154
   91   2HD   LYS  16          2HD       LYS  16  -5.058   6.836  -4.167
   92   2HE   LYS  16          2HE       LYS  16  -6.575   4.237  -3.711
   93   1HZ   LYS  16          1HZ       LYS  16  -7.514   7.027  -3.844
   94   2HZ   LYS  16          2HZ       LYS  16  -8.470   5.695  -3.713
   95   3HZ   LYS  16          3HZ       LYS  16  -7.460   6.106  -2.481
   96    H    CYS  17           H        CYS  17  -0.658   7.484  -2.353
   97    HA   CYS  17           HA       CYS  17  -2.593   9.007  -0.698
   98   2HB   CYS  17          2HB       CYS  17  -1.142   6.446   0.040
   99    HA   PRO  18           HA       PRO  18   1.334  11.167  -0.735
  100   2HB   PRO  18          2HB       PRO  18   0.069  13.091  -1.026
  101   2HG   PRO  18          2HG       PRO  18  -1.992  13.425   0.171
  102   2HD   PRO  18          2HD       PRO  18  -2.193  11.380  -1.037
  103    H    GLY  19           H        GLY  19   2.866  12.194   0.902
  104   1HA   GLY  19          1HA       GLY  19   3.986  12.146   2.937
  105   2HA   GLY  19          2HA       GLY  19   2.696  11.178   3.664
  106    H    ASN  20           H        ASN  20   3.197   9.546   0.886
  107    HA   ASN  20           HA       ASN  20   4.178   7.609   0.327
  108   2HB   ASN  20          2HB       ASN  20   6.738   8.738   1.511
  109   1HD2  ASN  20          1HD2      ASN  20   6.947   6.182   1.556
  110   2HD2  ASN  20          2HD2      ASN  20   7.547   5.458   0.069
  111    HA   PRO  21           HA       PRO  21   4.043   5.686   4.572
  112   2HB   PRO  21          2HB       PRO  21   1.782   5.733   4.923
  113   2HG   PRO  21          2HG       PRO  21   0.317   6.305   3.167
  114   2HD   PRO  21          2HD       PRO  21   1.968   7.916   2.861
  115    HA   PRO  22           HA       PRO  22   5.875   2.246   2.435
  116   2HB   PRO  22          2HB       PRO  22   6.936   1.991   4.515
  117   2HG   PRO  22          2HG       PRO  22   5.661   1.847   6.566
  118   2HD   PRO  22          2HD       PRO  22   5.201   3.949   5.597
  119    H    CYS  23           H        CYS  23   5.603   0.014   1.663
  120    HA   CYS  23           HA       CYS  23   2.836  -0.970   1.585
  121   2HB   CYS  23          2HB       CYS  23   3.632  -2.729   0.214
  122    H    ARG  24           H        ARG  24   2.172  -2.897   2.712
  123    HA   ARG  24           HA       ARG  24   4.103  -4.355   4.406
  124   2HB   ARG  24          2HB       ARG  24   1.432  -3.660   5.608
  125   2HG   ARG  24          2HG       ARG  24   3.523  -5.039   6.607
  126   2HD   ARG  24          2HD       ARG  24   4.889  -3.738   8.063
  127    HE   ARG  24           HE       ARG  24   4.852  -2.670   5.283
  128   1HH1  ARG  24          1HH1      ARG  24   6.615  -2.552   8.345
  129   2HH1  ARG  24          2HH1      ARG  24   8.108  -2.057   7.608
  130   1HH2  ARG  24          1HH2      ARG  24   6.663  -2.059   4.334
  131   2HH2  ARG  24          2HH2      ARG  24   8.163  -1.763   5.200
  132    H    ASN  25           H        ASN  25   3.766  -6.530   4.072
  133    HA   ASN  25           HA       ASN  25   3.043  -8.312   2.878
  134   2HB   ASN  25          2HB       ASN  25   0.304  -7.461   3.889
  135   1HD2  ASN  25          1HD2      ASN  25  -1.084  -9.443   4.349
  136   2HD2  ASN  25          2HD2      ASN  25  -0.988 -10.762   3.197
  137    H    GLY  26           H        GLY  26   3.582  -6.085   1.440
  138   1HA   GLY  26          1HA       GLY  26   3.339  -4.998  -0.504
  139   2HA   GLY  26          2HA       GLY  26   2.542  -6.451  -1.113
  140    H    PHE  27           H        PHE  27   1.072  -4.601   1.571
  141    HA   PHE  27           HA       PHE  27  -0.981  -3.476  -0.278
  142   2HB   PHE  27          2HB       PHE  27  -2.390  -3.356   1.736
  143    HD1  PHE  27           HD1      PHE  27  -3.247  -4.615  -0.417
  144    HD2  PHE  27           HD2      PHE  27  -1.552  -6.440   3.085
  145    HE1  PHE  27           HE1      PHE  27  -4.765  -6.544  -0.689
  146    HE2  PHE  27           HE2      PHE  27  -3.014  -8.416   2.766
  147    HZ   PHE  27           HZ       PHE  27  -4.654  -8.454   0.897
  148    H    CYS  28           H        CYS  28  -1.333  -1.221  -0.140
  149    HA   CYS  28           HA       CYS  28   0.865   0.269   0.982
  150   2HB   CYS  28          2HB       CYS  28  -1.812   1.261  -0.082
  151    H    ALA  29           H        ALA  29   1.149   0.830   3.118
  152    HA   ALA  29           HA       ALA  29  -1.069   0.562   5.000
  153   1HB   ALA  29          1HB       ALA  29   1.771   1.554   5.416
  154   2HB   ALA  29          2HB       ALA  29   0.618   1.074   6.676
  155   3HB   ALA  29          3HB       ALA  29   1.239  -0.137   5.537
  156    H    CYS  30           H        CYS  30  -2.039   2.375   3.309
  157    HA   CYS  30           HA       CYS  30  -1.429   5.141   4.069
  158   2HB   CYS  30          2HB       CYS  30  -3.778   3.990   2.546
  159    H    THR  31           H        THR  31  -1.599   4.453   6.410
  160    HA   THR  31           HA       THR  31  -4.215   4.066   7.572
  161    HB   THR  31           HB       THR  31  -2.126   3.390   8.696
  162    HG1  THR  31           HG1      THR  31  -3.870   3.689  10.007
  163   1HG2  THR  31          1HG2      THR  31  -1.638   6.370   9.150
  164   2HG2  THR  31          2HG2      THR  31  -0.728   5.027   9.855
  165   3HG2  THR  31          3HG2      THR  31  -0.658   5.315   8.110
  Start of MODEL    3
    1   1H    THR   1          1H        THR   1  -9.809 -11.786   4.545
    2    HA   THR   1           HA       THR   1  -9.876 -11.845   1.597
    3    HB   THR   1           HB       THR   1 -11.995 -12.633   2.317
    4    HG1  THR   1           HG1      THR   1 -11.930 -11.393   0.467
    5   1HG2  THR   1          1HG2      THR   1 -12.212 -11.534   4.538
    6   2HG2  THR   1          2HG2      THR   1 -12.564  -9.998   3.717
    7   3HG2  THR   1          3HG2      THR   1 -13.641 -11.379   3.504
    8    HA   PRO   2           HA       PRO   2  -7.967  -8.187   3.590
    9   2HB   PRO   2          2HB       PRO   2  -5.963  -9.327   3.447
   10   2HG   PRO   2          2HG       PRO   2  -5.374 -10.617   1.496
   11   2HD   PRO   2          2HD       PRO   2  -7.377 -11.520   2.386
   12    H    PHE   3           H        PHE   3  -9.956  -7.273   2.470
   13    HA   PHE   3           HA       PHE   3  -9.663  -5.737   0.049
   14   2HB   PHE   3          2HB       PHE   3 -11.570  -4.419   0.991
   15    HD1  PHE   3           HD1      PHE   3 -12.542  -7.482   2.676
   16    HD2  PHE   3           HD2      PHE   3 -12.102  -5.615  -1.192
   17    HE1  PHE   3           HE1      PHE   3 -14.174  -9.072   1.715
   18    HE2  PHE   3           HE2      PHE   3 -13.725  -7.228  -2.148
   19    HZ   PHE   3           HZ       PHE   3 -14.775  -8.950  -0.690
   20    H    ALA   4           H        ALA   4  -7.361  -5.061   0.570
   21    HA   ALA   4           HA       ALA   4  -7.439  -2.304   1.718
   22   1HB   ALA   4          1HB       ALA   4  -6.438  -3.709   3.438
   23   2HB   ALA   4          2HB       ALA   4  -5.321  -4.427   2.264
   24   3HB   ALA   4          3HB       ALA   4  -5.179  -2.706   2.691
   25    H    ILE   5           H        ILE   5  -5.868  -0.888   0.833
   26    HA   ILE   5           HA       ILE   5  -5.642  -1.066  -1.996
   27    HB   ILE   5           HB       ILE   5  -4.287   0.754   0.035
   28   2HG1  ILE   5          2HG1      ILE   5  -6.780   0.847   0.016
   29   1HG2  ILE   5          1HG2      ILE   5  -3.816   2.269  -1.835
   30   2HG2  ILE   5          2HG2      ILE   5  -3.039   0.728  -2.137
   31   3HG2  ILE   5          3HG2      ILE   5  -4.553   1.125  -2.980
   32   1HD1  ILE   5          1HD1      ILE   5  -5.453   2.950   0.393
   33   2HD1  ILE   5          2HD1      ILE   5  -5.698   3.343  -1.329
   34   3HD1  ILE   5          3HD1      ILE   5  -7.090   3.183  -0.253
   35    H    LYS   6           H        LYS   6  -4.224  -2.295  -3.141
   36    HA   LYS   6           HA       LYS   6  -2.062  -3.611  -1.800
   37   2HB   LYS   6          2HB       LYS   6  -1.587  -4.508  -4.147
   38   2HG   LYS   6          2HG       LYS   6  -4.317  -4.897  -2.837
   39   2HD   LYS   6          2HD       LYS   6  -2.622  -6.635  -4.710
   40   2HE   LYS   6          2HE       LYS   6  -4.412  -8.351  -4.377
   41   1HZ   LYS   6          1HZ       LYS   6  -3.073  -7.649  -1.843
   42   2HZ   LYS   6          2HZ       LYS   6  -3.686  -9.114  -2.252
   43   3HZ   LYS   6          3HZ       LYS   6  -2.392  -8.512  -3.064
   44    H    CYS   7           H        CYS   7   0.137  -3.582  -2.219
   45    HA   CYS   7           HA       CYS   7   1.390  -1.222  -3.479
   46   2HB   CYS   7          2HB       CYS   7   1.482  -1.816  -0.503
   47    H    ALA   8           H        ALA   8   3.129  -2.139  -4.514
   48    HA   ALA   8           HA       ALA   8   4.576  -4.422  -3.211
   49   1HB   ALA   8          1HB       ALA   8   4.526  -3.453  -6.099
   50   2HB   ALA   8          2HB       ALA   8   5.500  -4.795  -5.458
   51   3HB   ALA   8          3HB       ALA   8   3.727  -4.906  -5.465
   52    H    THR   9           H        THR   9   4.780  -1.196  -4.679
   53    HA   THR   9           HA       THR   9   7.663  -0.944  -3.938
   54    HB   THR   9           HB       THR   9   7.664   0.729  -5.785
   55    HG1  THR   9           HG1      THR   9   4.974  -0.199  -6.164
   56   1HG2  THR   9          1HG2      THR   9   6.588  -1.991  -6.663
   57   2HG2  THR   9          2HG2      THR   9   7.520  -0.842  -7.640
   58   3HG2  THR   9          3HG2      THR   9   8.278  -1.634  -6.245
   59    H    ASP  10           H        ASP  10   8.366   1.301  -3.462
   60    HA   ASP  10           HA       ASP  10   6.786   2.796  -1.570
   61   2HB   ASP  10          2HB       ASP  10   9.269   2.856  -1.631
   62    H    ALA  11           H        ALA  11   7.656   2.983  -5.002
   63    HA   ALA  11           HA       ALA  11   6.305   5.185  -5.871
   64   1HB   ALA  11          1HB       ALA  11   6.171   4.160  -8.081
   65   2HB   ALA  11          2HB       ALA  11   7.723   3.792  -7.302
   66   3HB   ALA  11          3HB       ALA  11   6.454   2.554  -7.389
   67    H    ASP  12           H        ASP  12   4.733   1.925  -5.586
   68    HA   ASP  12           HA       ASP  12   2.145   2.534  -6.397
   69   2HB   ASP  12          2HB       ASP  12   1.386   0.999  -4.456
   70    H    CYS  13           H        CYS  13   3.407   2.838  -3.061
   71    HA   CYS  13           HA       CYS  13   0.949   4.040  -2.187
   72   2HB   CYS  13          2HB       CYS  13   3.246   4.465  -0.390
   73    H    SER  14           H        SER  14   4.049   5.373  -3.181
   74    HA   SER  14           HA       SER  14   3.356   8.133  -2.674
   75   2HB   SER  14          2HB       SER  14   5.417   7.122  -4.662
   76    HG   SER  14           HG       SER  14   5.206   9.344  -2.891
   77    H    ARG  15           H        ARG  15   1.271   6.824  -4.043
   78    HA   ARG  15           HA       ARG  15   0.642   8.751  -6.070
   79   2HB   ARG  15          2HB       ARG  15  -0.176   7.079  -7.730
   80   2HG   ARG  15          2HG       ARG  15   1.929   6.154  -8.658
   81   2HD   ARG  15          2HD       ARG  15   2.124   9.049  -7.745
   82    HE   ARG  15           HE       ARG  15   4.098   7.481  -9.000
   83   1HH1  ARG  15          1HH1      ARG  15   2.482  10.576  -9.371
   84   2HH1  ARG  15          2HH1      ARG  15   3.819  11.392 -10.124
   85   1HH2  ARG  15          1HH2      ARG  15   5.916   8.505  -9.995
   86   2HH2  ARG  15          2HH2      ARG  15   5.833  10.164 -10.488
   87    H    LYS  16           H        LYS  16  -0.178   5.592  -4.558
   88    HA   LYS  16           HA       LYS  16  -3.000   6.087  -4.612
   89   2HB   LYS  16          2HB       LYS  16  -3.116   4.022  -3.253
   90   2HG   LYS  16          2HG       LYS  16  -1.206   3.998  -5.626
   91   2HD   LYS  16          2HD       LYS  16  -2.798   1.611  -4.670
   92   2HE   LYS  16          2HE       LYS  16  -0.196   1.960  -6.243
   93   1HZ   LYS  16          1HZ       LYS  16  -0.087  -0.208  -6.483
   94   2HZ   LYS  16          2HZ       LYS  16  -0.809  -0.233  -5.014
   95   3HZ   LYS  16          3HZ       LYS  16  -1.715  -0.498  -6.359
   96    H    CYS  17           H        CYS  17  -0.539   6.652  -2.033
   97    HA   CYS  17           HA       CYS  17  -2.614   8.043  -0.458
   98   2HB   CYS  17          2HB       CYS  17  -1.133   5.607   0.540
   99    HA   PRO  18           HA       PRO  18   1.154  10.383  -0.667
  100   2HB   PRO  18          2HB       PRO  18  -0.200  12.174  -1.222
  101   2HG   PRO  18          2HG       PRO  18  -2.300  12.548  -0.107
  102   2HD   PRO  18          2HD       PRO  18  -2.340  10.355  -1.046
  103    H    GLY  19           H        GLY  19   2.583  11.776   0.756
  104   1HA   GLY  19          1HA       GLY  19   3.805  12.087   2.691
  105   2HA   GLY  19          2HA       GLY  19   2.575  11.238   3.637
  106    H    ASN  20           H        ASN  20   3.619   9.595   0.796
  107    HA   ASN  20           HA       ASN  20   4.408   7.466   0.594
  108   2HB   ASN  20          2HB       ASN  20   6.923   7.532   0.759
  109   1HD2  ASN  20          1HD2      ASN  20   8.060   8.278  -1.122
  110   2HD2  ASN  20          2HD2      ASN  20   7.113   8.987  -2.427
  111    HA   PRO  21           HA       PRO  21   4.633   5.719   4.863
  112   2HB   PRO  21          2HB       PRO  21   2.411   5.985   5.475
  113   2HG   PRO  21          2HG       PRO  21   0.726   6.373   3.836
  114   2HD   PRO  21          2HD       PRO  21   2.305   7.973   3.290
  115    HA   PRO  22           HA       PRO  22   6.138   2.476   2.264
  116   2HB   PRO  22          2HB       PRO  22   7.604   2.094   4.042
  117   2HG   PRO  22          2HG       PRO  22   6.805   1.924   6.314
  118   2HD   PRO  22          2HD       PRO  22   6.206   4.061   5.461
  119    H    CYS  23           H        CYS  23   5.852   0.122   1.644
  120    HA   CYS  23           HA       CYS  23   3.050  -0.739   1.734
  121   2HB   CYS  23          2HB       CYS  23   3.760  -2.683   0.553
  122    H    ARG  24           H        ARG  24   2.269  -1.765   3.476
  123    HA   ARG  24           HA       ARG  24   3.868  -3.481   5.256
  124   2HB   ARG  24          2HB       ARG  24   0.856  -3.279   4.817
  125   2HG   ARG  24          2HG       ARG  24   2.538  -4.529   7.052
  126   2HD   ARG  24          2HD       ARG  24   0.334  -5.233   7.958
  127    HE   ARG  24           HE       ARG  24   1.386  -2.635   8.165
  128   1HH1  ARG  24          1HH1      ARG  24  -1.708  -4.248   8.626
  129   2HH1  ARG  24          2HH1      ARG  24  -2.308  -3.136   9.818
  130   1HH2  ARG  24          1HH2      ARG  24   0.633  -1.117   9.747
  131   2HH2  ARG  24          2HH2      ARG  24  -0.928  -1.308  10.469
  132    H    ASN  25           H        ASN  25   4.955  -4.291   3.374
  133    HA   ASN  25           HA       ASN  25   5.199  -5.576   1.422
  134   2HB   ASN  25          2HB       ASN  25   5.465  -7.924   2.240
  135   1HD2  ASN  25          1HD2      ASN  25   5.942  -5.911   5.149
  136   2HD2  ASN  25          2HD2      ASN  25   7.663  -5.684   4.877
  137    H    GLY  26           H        GLY  26   3.297  -5.021   0.119
  138   1HA   GLY  26          1HA       GLY  26   1.983  -6.438  -1.391
  139   2HA   GLY  26          2HA       GLY  26   1.260  -7.230   0.013
  140    H    PHE  27           H        PHE  27   1.130  -4.646   1.578
  141    HA   PHE  27           HA       PHE  27  -1.056  -3.277   0.082
  142   2HB   PHE  27          2HB       PHE  27  -2.418  -3.380   2.106
  143    HD1  PHE  27           HD1      PHE  27  -0.780  -6.683   2.428
  144    HD2  PHE  27           HD2      PHE  27  -3.751  -4.419   0.282
  145    HE1  PHE  27           HE1      PHE  27  -1.852  -8.788   1.691
  146    HE2  PHE  27           HE2      PHE  27  -4.943  -6.513  -0.284
  147    HZ   PHE  27           HZ       PHE  27  -3.967  -8.717   0.399
  148    H    CYS  28           H        CYS  28  -1.347  -1.121   0.511
  149    HA   CYS  28           HA       CYS  28   0.931   0.411   1.364
  150   2HB   CYS  28          2HB       CYS  28  -1.239   2.117   1.577
  151    H    ALA  29           H        ALA  29   1.578   0.929   3.483
  152    HA   ALA  29           HA       ALA  29  -0.262   0.434   5.736
  153   1HB   ALA  29          1HB       ALA  29   1.599   1.193   7.098
  154   2HB   ALA  29          2HB       ALA  29   2.193   0.024   5.903
  155   3HB   ALA  29          3HB       ALA  29   2.477   1.759   5.667
  156    H    CYS  30           H        CYS  30  -1.681   2.034   4.152
  157    HA   CYS  30           HA       CYS  30  -0.883   4.725   3.942
  158   2HB   CYS  30          2HB       CYS  30  -3.651   3.520   3.744
  159    H    THR  31           H        THR  31  -1.087   6.532   5.211
  160    HA   THR  31           HA       THR  31  -1.890   6.428   7.947
  161    HB   THR  31           HB       THR  31  -1.757   9.023   7.425
  162    HG1  THR  31           HG1      THR  31  -0.607   9.349   5.427
  163   1HG2  THR  31          1HG2      THR  31   0.054   7.748   8.539
  164   2HG2  THR  31          2HG2      THR  31   0.648   7.189   6.961
  165   3HG2  THR  31          3HG2      THR  31   0.724   8.913   7.384
  Start of MODEL    4
    1   1H    THR   1          1H        THR   1 -13.534 -10.816   2.209
    2    HA   THR   1           HA       THR   1 -14.594  -9.845  -0.301
    3    HB   THR   1           HB       THR   1 -14.771  -7.743   1.328
    4    HG1  THR   1           HG1      THR   1 -14.890  -8.596   3.528
    5   1HG2  THR   1          1HG2      THR   1 -16.709  -9.111   0.592
    6   2HG2  THR   1          2HG2      THR   1 -16.344 -10.310   1.851
    7   3HG2  THR   1          3HG2      THR   1 -16.851  -8.666   2.301
    8    HA   PRO   2           HA       PRO   2 -10.758  -7.964  -1.513
    9   2HB   PRO   2          2HB       PRO   2 -11.801  -7.296  -3.470
   10   2HG   PRO   2          2HG       PRO   2 -14.055  -6.469  -3.465
   11   2HD   PRO   2          2HD       PRO   2 -14.101  -8.601  -2.403
   12    H    PHE   3           H        PHE   3  -9.277  -6.775  -0.358
   13    HA   PHE   3           HA       PHE   3 -10.004  -4.408   1.188
   14   2HB   PHE   3          2HB       PHE   3  -8.618  -5.846   3.095
   15    HD1  PHE   3           HD1      PHE   3 -12.001  -7.226   2.711
   16    HD2  PHE   3           HD2      PHE   3  -9.657  -3.959   4.281
   17    HE1  PHE   3           HE1      PHE   3 -13.887  -6.560   4.173
   18    HE2  PHE   3           HE2      PHE   3 -11.546  -3.307   5.740
   19    HZ   PHE   3           HZ       PHE   3 -13.665  -4.606   5.692
   20    H    ALA   4           H        ALA   4  -8.099  -3.388   1.961
   21    HA   ALA   4           HA       ALA   4  -5.987  -2.774   2.164
   22   1HB   ALA   4          1HB       ALA   4  -4.244  -4.397   2.313
   23   2HB   ALA   4          2HB       ALA   4  -5.716  -5.047   3.041
   24   3HB   ALA   4          3HB       ALA   4  -5.204  -5.609   1.439
   25    H    ILE   5           H        ILE   5  -5.279  -1.275   0.849
   26    HA   ILE   5           HA       ILE   5  -5.263  -1.362  -1.995
   27    HB   ILE   5           HB       ILE   5  -3.852   0.431   0.026
   28   2HG1  ILE   5          2HG1      ILE   5  -6.356   0.420   0.125
   29   1HG2  ILE   5          1HG2      ILE   5  -3.554   2.040  -1.812
   30   2HG2  ILE   5          2HG2      ILE   5  -2.714   0.548  -2.174
   31   3HG2  ILE   5          3HG2      ILE   5  -4.279   0.885  -2.955
   32   1HD1  ILE   5          1HD1      ILE   5  -6.742   2.757   0.020
   33   2HD1  ILE   5          2HD1      ILE   5  -5.073   2.537   0.579
   34   3HD1  ILE   5          3HD1      ILE   5  -5.407   3.029  -1.100
   35    H    LYS   6           H        LYS   6  -3.961  -2.741  -3.135
   36    HA   LYS   6           HA       LYS   6  -1.614  -3.975  -2.120
   37   2HB   LYS   6          2HB       LYS   6  -1.275  -4.679  -4.503
   38   2HG   LYS   6          2HG       LYS   6  -4.094  -4.962  -3.354
   39   2HD   LYS   6          2HD       LYS   6  -2.568  -6.656  -5.383
   40   2HE   LYS   6          2HE       LYS   6  -5.381  -6.933  -4.194
   41   1HZ   LYS   6          1HZ       LYS   6  -5.444  -8.962  -5.444
   42   2HZ   LYS   6          2HZ       LYS   6  -5.259  -7.694  -6.471
   43   3HZ   LYS   6          3HZ       LYS   6  -3.978  -8.670  -6.121
   44    H    CYS   7           H        CYS   7   0.564  -3.624  -2.390
   45    HA   CYS   7           HA       CYS   7   1.552  -1.106  -3.614
   46   2HB   CYS   7          2HB       CYS   7   1.699  -1.877  -0.676
   47    H    ALA   8           H        ALA   8   3.452  -1.689  -4.666
   48    HA   ALA   8           HA       ALA   8   5.103  -3.911  -3.526
   49   1HB   ALA   8          1HB       ALA   8   5.088  -2.618  -6.282
   50   2HB   ALA   8          2HB       ALA   8   6.170  -3.914  -5.733
   51   3HB   ALA   8          3HB       ALA   8   4.425  -4.212  -5.865
   52    H    THR   9           H        THR   9   4.998  -0.511  -4.552
   53    HA   THR   9           HA       THR   9   7.803  -0.074  -3.598
   54    HB   THR   9           HB       THR   9   7.788   1.702  -5.350
   55    HG1  THR   9           HG1      THR   9   5.246   0.544  -6.013
   56   1HG2  THR   9          1HG2      THR   9   7.964   0.236  -7.283
   57   2HG2  THR   9          2HG2      THR   9   8.676  -0.557  -5.864
   58   3HG2  THR   9          3HG2      THR   9   7.072  -1.051  -6.451
   59    H    ASP  10           H        ASP  10   8.342   2.004  -2.826
   60    HA   ASP  10           HA       ASP  10   6.750   3.689  -1.222
   61   2HB   ASP  10          2HB       ASP  10   9.108   4.018  -1.333
   62    H    ALA  11           H        ALA  11   7.538   4.179  -4.706
   63    HA   ALA  11           HA       ALA  11   5.787   6.010  -5.453
   64   1HB   ALA  11          1HB       ALA  11   5.825   5.084  -7.710
   65   2HB   ALA  11          2HB       ALA  11   7.416   4.939  -6.936
   66   3HB   ALA  11          3HB       ALA  11   6.368   3.514  -7.089
   67    H    ASP  12           H        ASP  12   4.721   2.535  -5.193
   68    HA   ASP  12           HA       ASP  12   2.064   2.889  -6.083
   69   2HB   ASP  12          2HB       ASP  12   1.472   1.132  -4.308
   70    H    CYS  13           H        CYS  13   3.281   3.114  -2.712
   71    HA   CYS  13           HA       CYS  13   0.828   4.078  -1.598
   72   2HB   CYS  13          2HB       CYS  13   2.482   5.263   0.065
   73    H    SER  14           H        SER  14   3.724   5.869  -2.697
   74    HA   SER  14           HA       SER  14   2.502   8.454  -2.384
   75   2HB   SER  14          2HB       SER  14   4.961   7.957  -4.066
   76    HG   SER  14           HG       SER  14   5.570   9.855  -3.029
   77    H    ARG  15           H        ARG  15   0.879   6.921  -4.014
   78    HA   ARG  15           HA       ARG  15   0.377   8.720  -6.251
   79   2HB   ARG  15          2HB       ARG  15  -0.209   6.669  -7.693
   80   2HG   ARG  15          2HG       ARG  15   2.730   7.223  -7.141
   81   2HD   ARG  15          2HD       ARG  15   1.421   5.768  -9.490
   82    HE   ARG  15           HE       ARG  15   4.307   5.702  -9.123
   83   1HH1  ARG  15          1HH1      ARG  15   1.733   7.610 -10.551
   84   2HH1  ARG  15          2HH1      ARG  15   2.701   8.319 -11.810
   85   1HH2  ARG  15          1HH2      ARG  15   5.666   6.634 -10.747
   86   2HH2  ARG  15          2HH2      ARG  15   5.017   7.753 -11.901
   87    H    LYS  16           H        LYS  16  -0.443   5.674  -4.524
   88    HA   LYS  16           HA       LYS  16  -3.292   6.010  -4.821
   89   2HB   LYS  16          2HB       LYS  16  -3.323   4.017  -3.301
   90   2HG   LYS  16          2HG       LYS  16  -1.531   4.086  -5.766
   91   2HD   LYS  16          2HD       LYS  16  -2.361   1.609  -4.226
   92   2HE   LYS  16          2HE       LYS  16  -1.063   2.035  -6.956
   93   1HZ   LYS  16          1HZ       LYS  16  -1.001  -0.360  -5.245
   94   2HZ   LYS  16          2HZ       LYS  16  -0.891  -0.434  -6.894
   95   3HZ   LYS  16          3HZ       LYS  16   0.228   0.365  -6.067
   96    H    CYS  17           H        CYS  17  -0.960   7.152  -2.400
   97    HA   CYS  17           HA       CYS  17  -3.044   8.705  -1.109
   98   2HB   CYS  17          2HB       CYS  17  -1.835   6.261   0.161
   99    HA   PRO  18           HA       PRO  18   0.559  11.253  -1.004
  100   2HB   PRO  18          2HB       PRO  18  -0.906  13.046  -0.907
  101   2HG   PRO  18          2HG       PRO  18  -2.847  13.003   0.523
  102   2HD   PRO  18          2HD       PRO  18  -2.943  11.131  -0.958
  103    H    GLY  19           H        GLY  19   2.206  12.228   0.524
  104   1HA   GLY  19          1HA       GLY  19   3.370  12.360   2.512
  105   2HA   GLY  19          2HA       GLY  19   2.262  11.225   3.281
  106    H    ASN  20           H        ASN  20   2.922   9.514   0.646
  107    HA   ASN  20           HA       ASN  20   4.148   7.678   0.227
  108   2HB   ASN  20          2HB       ASN  20   6.503   9.386   1.118
  109   1HD2  ASN  20          1HD2      ASN  20   8.555   8.711   0.202
  110   2HD2  ASN  20          2HD2      ASN  20   8.742   7.090  -0.451
  111    HA   PRO  21           HA       PRO  21   4.713   6.120   4.592
  112   2HB   PRO  21          2HB       PRO  21   2.512   6.167   5.286
  113   2HG   PRO  21          2HG       PRO  21   0.744   6.384   3.739
  114   2HD   PRO  21          2HD       PRO  21   2.178   8.091   3.069
  115    HA   PRO  22           HA       PRO  22   6.334   2.638   2.387
  116   2HB   PRO  22          2HB       PRO  22   7.582   2.346   4.345
  117   2HG   PRO  22          2HG       PRO  22   6.519   2.239   6.510
  118   2HD   PRO  22          2HD       PRO  22   5.993   4.347   5.563
  119    H    CYS  23           H        CYS  23   6.028   0.369   1.690
  120    HA   CYS  23           HA       CYS  23   3.256  -0.631   1.812
  121   2HB   CYS  23          2HB       CYS  23   4.016  -2.487   0.517
  122    H    ARG  24           H        ARG  24   2.695  -2.471   3.040
  123    HA   ARG  24           HA       ARG  24   4.725  -3.789   4.750
  124   2HB   ARG  24          2HB       ARG  24   2.025  -2.699   5.674
  125   2HG   ARG  24          2HG       ARG  24   4.215  -4.206   7.182
  126   2HD   ARG  24          2HD       ARG  24   1.594  -2.940   8.145
  127    HE   ARG  24           HE       ARG  24   3.450  -4.050  10.094
  128   1HH1  ARG  24          1HH1      ARG  24   0.706  -4.876   8.050
  129   2HH1  ARG  24          2HH1      ARG  24   0.111  -6.158   9.059
  130   1HH2  ARG  24          1HH2      ARG  24   2.718  -5.762  11.468
  131   2HH2  ARG  24          2HH2      ARG  24   1.309  -6.679  11.048
  132    H    ASN  25           H        ASN  25   4.528  -5.946   4.370
  133    HA   ASN  25           HA       ASN  25   3.794  -7.897   3.488
  134   2HB   ASN  25          2HB       ASN  25   1.151  -6.987   4.708
  135   1HD2  ASN  25          1HD2      ASN  25   3.213  -9.953   4.108
  136   2HD2  ASN  25          2HD2      ASN  25   1.820 -10.969   3.804
  137    H    GLY  26           H        GLY  26   3.800  -5.670   1.656
  138   1HA   GLY  26          1HA       GLY  26   3.344  -5.445  -0.562
  139   2HA   GLY  26          2HA       GLY  26   2.300  -6.862  -0.512
  140    H    PHE  27           H        PHE  27   1.489  -4.375   1.831
  141    HA   PHE  27           HA       PHE  27  -0.559  -3.216   0.012
  142   2HB   PHE  27          2HB       PHE  27  -2.124  -3.268   1.892
  143    HD1  PHE  27           HD1      PHE  27  -0.722  -6.437   2.942
  144    HD2  PHE  27           HD2      PHE  27  -2.904  -4.519  -0.240
  145    HE1  PHE  27           HE1      PHE  27  -1.562  -8.633   2.198
  146    HE2  PHE  27           HE2      PHE  27  -3.859  -6.705  -0.901
  147    HZ   PHE  27           HZ       PHE  27  -3.156  -8.781   0.287
  148    H    CYS  28           H        CYS  28  -1.022  -1.005   0.362
  149    HA   CYS  28           HA       CYS  28   1.250   0.454   1.336
  150   2HB   CYS  28          2HB       CYS  28  -1.493   1.465   0.493
  151    H    ALA  29           H        ALA  29   1.706   1.056   3.426
  152    HA   ALA  29           HA       ALA  29  -0.318   0.700   5.494
  153   1HB   ALA  29          1HB       ALA  29   1.495   1.206   7.021
  154   2HB   ALA  29          2HB       ALA  29   2.066   0.069   5.781
  155   3HB   ALA  29          3HB       ALA  29   2.512   1.789   5.686
  156    H    CYS  30           H        CYS  30  -1.280   2.594   3.745
  157    HA   CYS  30           HA       CYS  30  -1.029   5.248   5.099
  158   2HB   CYS  30          2HB       CYS  30  -2.425   4.369   2.541
  159    H    THR  31           H        THR  31  -3.364   2.688   4.260
  160    HA   THR  31           HA       THR  31  -5.535   2.378   4.827
  161    HB   THR  31           HB       THR  31  -4.314   1.228   6.565
  162    HG1  THR  31           HG1      THR  31  -6.475   2.339   7.933
  163   1HG2  THR  31          1HG2      THR  31  -4.576   3.761   8.249
  164   2HG2  THR  31          2HG2      THR  31  -4.141   2.154   8.865
  165   3HG2  THR  31          3HG2      THR  31  -3.075   2.969   7.721
  Start of MODEL    5
    1   1H    THR   1          1H        THR   1  -8.995  -9.234  -3.033
    2    HA   THR   1           HA       THR   1 -11.423  -9.952  -1.723
    3    HB   THR   1           HB       THR   1  -9.888 -10.506   0.071
    4    HG1  THR   1           HG1      THR   1 -10.739  -9.148   1.632
    5   1HG2  THR   1          1HG2      THR   1  -8.810  -7.655  -0.085
    6   2HG2  THR   1          2HG2      THR   1  -8.383  -8.881   1.121
    7   3HG2  THR   1          3HG2      THR   1  -7.926  -9.114  -0.573
    8    HA   PRO   2           HA       PRO   2 -11.856  -5.739  -3.283
    9   2HB   PRO   2          2HB       PRO   2 -14.094  -6.374  -3.536
   10   2HG   PRO   2          2HG       PRO   2 -15.313  -7.455  -1.755
   11   2HD   PRO   2          2HD       PRO   2 -13.476  -8.845  -2.320
   12    H    PHE   3           H        PHE   3  -9.931  -5.654  -1.479
   13    HA   PHE   3           HA       PHE   3 -10.251  -3.282   0.084
   14   2HB   PHE   3          2HB       PHE   3 -10.189  -5.976   1.527
   15    HD1  PHE   3           HD1      PHE   3  -8.713  -5.910   3.387
   16    HD2  PHE   3           HD2      PHE   3 -10.973  -2.379   2.365
   17    HE1  PHE   3           HE1      PHE   3  -7.641  -4.682   5.249
   18    HE2  PHE   3           HE2      PHE   3  -9.890  -1.154   4.232
   19    HZ   PHE   3           HZ       PHE   3  -8.212  -2.298   5.665
   20    H    ALA   4           H        ALA   4  -8.165  -3.094   1.479
   21    HA   ALA   4           HA       ALA   4  -5.929  -3.016   1.644
   22   1HB   ALA   4          1HB       ALA   4  -4.781  -5.105   1.777
   23   2HB   ALA   4          2HB       ALA   4  -6.401  -5.298   2.441
   24   3HB   ALA   4          3HB       ALA   4  -6.038  -5.935   0.826
   25    H    ILE   5           H        ILE   5  -5.601  -1.503   0.037
   26    HA   ILE   5           HA       ILE   5  -5.188  -1.893  -2.724
   27    HB   ILE   5           HB       ILE   5  -4.031   0.107  -0.744
   28   2HG1  ILE   5          2HG1      ILE   5  -6.658  -0.132  -1.253
   29   1HG2  ILE   5          1HG2      ILE   5  -3.676   1.589  -2.738
   30   2HG2  ILE   5          2HG2      ILE   5  -2.630   0.177  -2.735
   31   3HG2  ILE   5          3HG2      ILE   5  -4.058   0.212  -3.791
   32   1HD1  ILE   5          1HD1      ILE   5  -6.928   2.272  -0.935
   33   2HD1  ILE   5          2HD1      ILE   5  -5.703   1.607   0.160
   34   3HD1  ILE   5          3HD1      ILE   5  -5.201   2.536  -1.264
   35    H    LYS   6           H        LYS   6  -3.694  -3.292  -3.631
   36    HA   LYS   6           HA       LYS   6  -1.310  -4.064  -2.235
   37   2HB   LYS   6          2HB       LYS   6  -0.703  -4.961  -4.656
   38   2HG   LYS   6          2HG       LYS   6  -2.143  -6.942  -4.388
   39   2HD   LYS   6          2HD       LYS   6  -1.039  -6.042  -1.721
   40   2HE   LYS   6          2HE       LYS   6  -0.637  -8.822  -2.697
   41   1HZ   LYS   6          1HZ       LYS   6  -1.161  -7.645  -0.032
   42   2HZ   LYS   6          2HZ       LYS   6  -0.712  -9.186  -0.313
   43   3HZ   LYS   6          3HZ       LYS   6   0.340  -7.951  -0.530
   44    H    CYS   7           H        CYS   7   0.862  -3.845  -2.948
   45    HA   CYS   7           HA       CYS   7   1.703  -1.242  -4.059
   46   2HB   CYS   7          2HB       CYS   7   1.761  -2.083  -1.122
   47    H    ALA   8           H        ALA   8   3.639  -1.795  -5.097
   48    HA   ALA   8           HA       ALA   8   5.232  -4.103  -4.038
   49   1HB   ALA   8          1HB       ALA   8   4.620  -4.238  -6.407
   50   2HB   ALA   8          2HB       ALA   8   5.321  -2.635  -6.703
   51   3HB   ALA   8          3HB       ALA   8   6.366  -3.982  -6.210
   52    H    THR   9           H        THR   9   5.180  -0.640  -4.782
   53    HA   THR   9           HA       THR   9   7.950  -0.288  -3.702
   54    HB   THR   9           HB       THR   9   8.083   1.510  -5.422
   55    HG1  THR   9           HG1      THR   9   5.548   0.438  -6.235
   56   1HG2  THR   9          1HG2      THR   9   8.331   0.094  -7.376
   57   2HG2  THR   9          2HG2      THR   9   8.927  -0.772  -5.945
   58   3HG2  THR   9          3HG2      THR   9   7.347  -1.187  -6.646
   59    H    ASP  10           H        ASP  10   8.459   1.742  -2.873
   60    HA   ASP  10           HA       ASP  10   6.844   3.467  -1.358
   61   2HB   ASP  10          2HB       ASP  10   9.218   3.710  -1.352
   62    H    ALA  11           H        ALA  11   7.800   3.907  -4.815
   63    HA   ALA  11           HA       ALA  11   6.203   5.828  -5.647
   64   1HB   ALA  11          1HB       ALA  11   7.773   4.634  -7.078
   65   2HB   ALA  11          2HB       ALA  11   6.616   3.301  -7.269
   66   3HB   ALA  11          3HB       ALA  11   6.213   4.913  -7.879
   67    H    ASP  12           H        ASP  12   4.916   2.427  -5.488
   68    HA   ASP  12           HA       ASP  12   2.347   2.978  -6.473
   69   2HB   ASP  12          2HB       ASP  12   1.552   1.056  -5.098
   70    H    CYS  13           H        CYS  13   3.368   3.026  -3.025
   71    HA   CYS  13           HA       CYS  13   0.882   4.067  -2.010
   72   2HB   CYS  13          2HB       CYS  13   2.443   5.104  -0.215
   73    H    SER  14           H        SER  14   3.885   5.657  -3.013
   74    HA   SER  14           HA       SER  14   3.013   8.354  -2.576
   75   2HB   SER  14          2HB       SER  14   5.337   7.259  -4.198
   76    HG   SER  14           HG       SER  14   4.878   9.516  -4.375
   77    H    ARG  15           H        ARG  15   1.174   7.023  -4.307
   78    HA   ARG  15           HA       ARG  15   1.073   8.980  -6.529
   79   2HB   ARG  15          2HB       ARG  15  -0.112   7.112  -7.857
   80   2HG   ARG  15          2HG       ARG  15   2.107   5.831  -8.347
   81   2HD   ARG  15          2HD       ARG  15   2.019   8.865  -8.678
   82    HE   ARG  15           HE       ARG  15   4.033   8.493  -9.629
   83   1HH1  ARG  15          1HH1      ARG  15   1.936   5.808 -10.490
   84   2HH1  ARG  15          2HH1      ARG  15   3.027   5.078 -11.626
   85   1HH2  ARG  15          1HH2      ARG  15   5.535   7.571 -11.132
   86   2HH2  ARG  15          2HH2      ARG  15   5.137   6.121 -11.992
   87    H    LYS  16           H        LYS  16  -0.634   6.392  -4.700
   88    HA   LYS  16           HA       LYS  16  -3.168   7.831  -4.948
   89   2HB   LYS  16          2HB       LYS  16  -2.546   5.266  -3.443
   90   2HG   LYS  16          2HG       LYS  16  -5.085   6.370  -4.740
   91   2HD   LYS  16          2HD       LYS  16  -4.597   3.837  -3.103
   92   2HE   LYS  16          2HE       LYS  16  -6.923   3.253  -3.706
   93   1HZ   LYS  16          1HZ       LYS  16  -8.094   4.862  -2.410
   94   2HZ   LYS  16          2HZ       LYS  16  -6.647   4.563  -1.688
   95   3HZ   LYS  16          3HZ       LYS  16  -6.879   5.956  -2.533
   96    H    CYS  17           H        CYS  17  -0.711   7.270  -2.413
   97    HA   CYS  17           HA       CYS  17  -2.410   8.726  -0.433
   98   2HB   CYS  17          2HB       CYS  17  -0.813   6.197   0.004
   99    HA   PRO  18           HA       PRO  18   1.624  10.838  -0.541
  100   2HB   PRO  18          2HB       PRO  18   0.411  12.763  -1.036
  101   2HG   PRO  18          2HG       PRO  18  -1.702  13.224   0.014
  102   2HD   PRO  18          2HD       PRO  18  -1.943  11.118  -1.065
  103    H    GLY  19           H        GLY  19   2.878  12.123   1.298
  104   1HA   GLY  19          1HA       GLY  19   3.958  11.977   3.326
  105   2HA   GLY  19          2HA       GLY  19   2.536  11.185   4.028
  106    H    ASN  20           H        ASN  20   3.988   9.995   1.104
  107    HA   ASN  20           HA       ASN  20   4.447   7.756   0.636
  108   2HB   ASN  20          2HB       ASN  20   6.935   7.736   0.719
  109   1HD2  ASN  20          1HD2      ASN  20   7.713   8.453  -1.287
  110   2HD2  ASN  20          2HD2      ASN  20   6.697   9.495  -2.283
  111    HA   PRO  21           HA       PRO  21   4.536   5.497   4.658
  112   2HB   PRO  21          2HB       PRO  21   2.249   5.546   5.029
  113   2HG   PRO  21          2HG       PRO  21   0.723   5.937   3.233
  114   2HD   PRO  21          2HD       PRO  21   2.252   7.696   3.090
  115    HA   PRO  22           HA       PRO  22   6.300   2.201   2.192
  116   2HB   PRO  22          2HB       PRO  22   7.501   1.824   4.180
  117   2HG   PRO  22          2HG       PRO  22   6.369   1.591   6.304
  118   2HD   PRO  22          2HD       PRO  22   5.893   3.751   5.464
  119    H    CYS  23           H        CYS  23   6.022  -0.147   1.583
  120    HA   CYS  23           HA       CYS  23   3.203  -1.032   1.512
  121   2HB   CYS  23          2HB       CYS  23   3.935  -2.812   0.134
  122    H    ARG  24           H        ARG  24   2.519  -2.802   2.783
  123    HA   ARG  24           HA       ARG  24   4.477  -4.247   4.503
  124   2HB   ARG  24          2HB       ARG  24   1.798  -3.069   5.372
  125   2HG   ARG  24          2HG       ARG  24   4.000  -4.492   6.942
  126   2HD   ARG  24          2HD       ARG  24   1.360  -3.264   7.848
  127    HE   ARG  24           HE       ARG  24   2.927  -5.269   9.092
  128   1HH1  ARG  24          1HH1      ARG  24   1.519  -2.138   9.871
  129   2HH1  ARG  24          2HH1      ARG  24   1.355  -2.437  11.575
  130   1HH2  ARG  24          1HH2      ARG  24   2.734  -5.721  11.359
  131   2HH2  ARG  24          2HH2      ARG  24   2.067  -4.539  12.434
  132    H    ASN  25           H        ASN  25   4.202  -6.420   4.118
  133    HA   ASN  25           HA       ASN  25   3.505  -8.252   2.986
  134   2HB   ASN  25          2HB       ASN  25   0.753  -7.444   3.996
  135   1HD2  ASN  25          1HD2      ASN  25  -0.580  -9.447   4.518
  136   2HD2  ASN  25          2HD2      ASN  25  -0.452 -10.797   3.405
  137    H    GLY  26           H        GLY  26   3.967  -6.015   1.501
  138   1HA   GLY  26          1HA       GLY  26   3.695  -5.027  -0.499
  139   2HA   GLY  26          2HA       GLY  26   2.905  -6.512  -1.035
  140    H    PHE  27           H        PHE  27   1.469  -4.570   1.612
  141    HA   PHE  27           HA       PHE  27  -0.602  -3.516  -0.257
  142   2HB   PHE  27          2HB       PHE  27  -2.079  -3.471   1.711
  143    HD1  PHE  27           HD1      PHE  27  -1.079  -6.523   3.073
  144    HD2  PHE  27           HD2      PHE  27  -2.833  -4.777  -0.437
  145    HE1  PHE  27           HE1      PHE  27  -2.400  -8.590   2.709
  146    HE2  PHE  27           HE2      PHE  27  -4.189  -6.814  -0.782
  147    HZ   PHE  27           HZ       PHE  27  -3.992  -8.724   0.801
  148    H    CYS  28           H        CYS  28  -0.981  -1.268  -0.135
  149    HA   CYS  28           HA       CYS  28   1.235   0.238   0.922
  150   2HB   CYS  28          2HB       CYS  28  -1.478   1.246  -0.019
  151    H    ALA  29           H        ALA  29   1.589   0.857   3.026
  152    HA   ALA  29           HA       ALA  29  -0.499   0.432   5.012
  153   1HB   ALA  29          1HB       ALA  29   1.251   1.027   6.605
  154   2HB   ALA  29          2HB       ALA  29   1.871  -0.130   5.408
  155   3HB   ALA  29          3HB       ALA  29   2.300   1.590   5.286
  156    H    CYS  30           H        CYS  30  -1.683   2.196   3.438
  157    HA   CYS  30           HA       CYS  30  -1.147   4.984   4.114
  158   2HB   CYS  30          2HB       CYS  30  -3.565   3.753   2.763
  159    H    THR  31           H        THR  31  -1.193   4.260   6.484
  160    HA   THR  31           HA       THR  31  -3.532   3.522   7.811
  161    HB   THR  31           HB       THR  31  -1.319   3.424   8.819
  162    HG1  THR  31           HG1      THR  31  -3.183   5.045  10.188
  163   1HG2  THR  31          1HG2      THR  31  -0.229   5.404   9.775
  164   2HG2  THR  31          2HG2      THR  31  -0.319   5.540   8.013
  165   3HG2  THR  31          3HG2      THR  31  -1.437   6.469   9.038
  Start of MODEL    6
    1   1H    THR   1          1H        THR   1  -7.493  -7.793   6.274
    2    HA   THR   1           HA       THR   1 -10.012  -6.894   7.350
    3    HB   THR   1           HB       THR   1  -7.968  -4.876   6.305
    4    HG1  THR   1           HG1      THR   1  -7.748  -5.776   8.483
    5   1HG2  THR   1          1HG2      THR   1 -10.763  -4.420   7.452
    6   2HG2  THR   1          2HG2      THR   1  -9.603  -3.166   6.984
    7   3HG2  THR   1          3HG2      THR   1 -10.306  -4.212   5.740
    8    HA   PRO   2           HA       PRO   2 -10.496  -7.964   2.975
    9   2HB   PRO   2          2HB       PRO   2 -12.507  -8.878   3.722
   10   2HG   PRO   2          2HG       PRO   2 -13.987  -7.658   5.182
   11   2HD   PRO   2          2HD       PRO   2 -11.915  -7.927   6.302
   12    H    PHE   3           H        PHE   3  -9.134  -5.713   3.111
   13    HA   PHE   3           HA       PHE   3  -9.914  -4.211   0.825
   14   2HB   PHE   3          2HB       PHE   3 -10.068  -2.733   3.490
   15    HD1  PHE   3           HD1      PHE   3 -11.541  -2.119   0.105
   16    HD2  PHE   3           HD2      PHE   3  -8.678  -0.798   3.053
   17    HE1  PHE   3           HE1      PHE   3 -11.150  -0.044  -1.196
   18    HE2  PHE   3           HE2      PHE   3  -8.333   1.289   1.778
   19    HZ   PHE   3           HZ       PHE   3  -9.560   1.671  -0.359
   20    H    ALA   4           H        ALA   4  -7.858  -4.336   0.001
   21    HA   ALA   4           HA       ALA   4  -5.539  -3.487   1.644
   22   1HB   ALA   4          1HB       ALA   4  -5.769  -6.259   0.408
   23   2HB   ALA   4          2HB       ALA   4  -4.422  -5.600   1.364
   24   3HB   ALA   4          3HB       ALA   4  -5.978  -5.894   2.133
   25    H    ILE   5           H        ILE   5  -5.195  -1.786   0.245
   26    HA   ILE   5           HA       ILE   5  -5.214  -2.010  -2.628
   27    HB   ILE   5           HB       ILE   5  -3.951   0.034  -0.763
   28   2HG1  ILE   5          2HG1      ILE   5  -6.674  -0.441  -0.996
   29   1HG2  ILE   5          1HG2      ILE   5  -4.097   1.535  -2.788
   30   2HG2  ILE   5          2HG2      ILE   5  -2.931   0.227  -2.961
   31   3HG2  ILE   5          3HG2      ILE   5  -4.515   0.116  -3.759
   32   1HD1  ILE   5          1HD1      ILE   5  -5.199   2.179  -0.554
   33   2HD1  ILE   5          2HD1      ILE   5  -6.930   1.931  -0.246
   34   3HD1  ILE   5          3HD1      ILE   5  -5.720   1.012   0.671
   35    H    LYS   6           H        LYS   6  -3.665  -3.106  -3.781
   36    HA   LYS   6           HA       LYS   6  -1.314  -4.198  -2.656
   37   2HB   LYS   6          2HB       LYS   6  -0.663  -4.626  -5.025
   38   2HG   LYS   6          2HG       LYS   6  -3.521  -5.321  -4.210
   39   2HD   LYS   6          2HD       LYS   6  -3.143  -5.752  -6.622
   40   2HE   LYS   6          2HE       LYS   6  -0.864  -7.516  -5.575
   41   1HZ   LYS   6          1HZ       LYS   6  -1.951  -7.347  -8.310
   42   2HZ   LYS   6          2HZ       LYS   6  -0.620  -8.190  -7.847
   43   3HZ   LYS   6          3HZ       LYS   6  -2.101  -8.641  -7.300
   44    H    CYS   7           H        CYS   7   0.866  -3.739  -2.842
   45    HA   CYS   7           HA       CYS   7   1.823  -1.150  -3.903
   46   2HB   CYS   7          2HB       CYS   7   1.826  -1.941  -0.965
   47    H    ALA   8           H        ALA   8   3.759  -1.752  -4.886
   48    HA   ALA   8           HA       ALA   8   5.260  -4.101  -3.790
   49   1HB   ALA   8          1HB       ALA   8   5.471  -2.621  -6.444
   50   2HB   ALA   8          2HB       ALA   8   6.450  -4.012  -5.930
   51   3HB   ALA   8          3HB       ALA   8   4.702  -4.203  -6.181
   52    H    THR   9           H        THR   9   5.331  -0.645  -4.559
   53    HA   THR   9           HA       THR   9   8.045  -0.339  -3.329
   54    HB   THR   9           HB       THR   9   8.320   1.428  -5.078
   55    HG1  THR   9           HG1      THR   9   5.811   0.377  -5.994
   56   1HG2  THR   9          1HG2      THR   9   9.197  -0.870  -5.462
   57   2HG2  THR   9          2HG2      THR   9   7.676  -1.307  -6.270
   58   3HG2  THR   9          3HG2      THR   9   8.720  -0.052  -6.963
   59    H    ASP  10           H        ASP  10   8.483   1.653  -2.375
   60    HA   ASP  10           HA       ASP  10   6.755   3.307  -0.936
   61   2HB   ASP  10          2HB       ASP  10   9.114   3.555  -0.727
   62    H    ALA  11           H        ALA  11   7.957   3.933  -4.278
   63    HA   ALA  11           HA       ALA  11   6.391   5.852  -5.196
   64   1HB   ALA  11          1HB       ALA  11   6.562   4.947  -7.426
   65   2HB   ALA  11          2HB       ALA  11   8.067   4.681  -6.522
   66   3HB   ALA  11          3HB       ALA  11   6.939   3.338  -6.788
   67    H    ASP  12           H        ASP  12   5.057   2.486  -4.816
   68    HA   ASP  12           HA       ASP  12   2.597   3.110  -6.164
   69   2HB   ASP  12          2HB       ASP  12   1.691   1.110  -4.993
   70    H    CYS  13           H        CYS  13   3.516   3.160  -2.705
   71    HA   CYS  13           HA       CYS  13   0.948   4.167  -1.800
   72   2HB   CYS  13          2HB       CYS  13   2.421   5.233   0.050
   73    H    SER  14           H        SER  14   4.021   5.734  -2.626
   74    HA   SER  14           HA       SER  14   3.070   8.460  -2.464
   75   2HB   SER  14          2HB       SER  14   5.564   7.220  -3.687
   76    HG   SER  14           HG       SER  14   5.138   9.360  -4.356
   77    H    ARG  15           H        ARG  15   1.235   7.450  -3.955
   78    HA   ARG  15           HA       ARG  15   1.179   8.688  -6.526
   79   2HB   ARG  15          2HB       ARG  15   1.540   5.658  -6.417
   80   2HG   ARG  15          2HG       ARG  15   0.866   7.446  -8.781
   81   2HD   ARG  15          2HD       ARG  15   2.568   5.771  -9.349
   82    HE   ARG  15           HE       ARG  15   2.492   3.793  -8.224
   83   1HH1  ARG  15          1HH1      ARG  15  -0.761   4.540  -9.295
   84   2HH1  ARG  15          2HH1      ARG  15  -1.427   2.971  -8.945
   85   1HH2  ARG  15          1HH2      ARG  15   1.685   1.640  -7.809
   86   2HH2  ARG  15          2HH2      ARG  15   0.001   1.313  -8.005
   87    H    LYS  16           H        LYS  16  -0.004   5.901  -4.523
   88    HA   LYS  16           HA       LYS  16  -2.771   6.487  -5.123
   89   2HB   LYS  16          2HB       LYS  16  -1.789   4.932  -2.704
   90   2HG   LYS  16          2HG       LYS  16  -3.785   3.609  -4.263
   91   2HD   LYS  16          2HD       LYS  16  -3.551   3.521  -1.752
   92   2HE   LYS  16          2HE       LYS  16  -5.095   6.153  -1.987
   93   1HZ   LYS  16          1HZ       LYS  16  -6.040   4.755  -0.262
   94   2HZ   LYS  16          2HZ       LYS  16  -4.587   4.594   0.494
   95   3HZ   LYS  16          3HZ       LYS  16  -5.273   6.062   0.365
   96    H    CYS  17           H        CYS  17  -0.465   7.557  -2.600
   97    HA   CYS  17           HA       CYS  17  -2.399   9.455  -1.494
   98   2HB   CYS  17          2HB       CYS  17  -1.664   6.822  -0.292
   99    HA   PRO  18           HA       PRO  18   1.466  11.536  -0.901
  100   2HB   PRO  18          2HB       PRO  18   0.110  13.441  -0.999
  101   2HG   PRO  18          2HG       PRO  18  -1.920  13.606   0.302
  102   2HD   PRO  18          2HD       PRO  18  -2.111  11.751  -1.165
  103    H    GLY  19           H        GLY  19   2.846  12.516   0.985
  104   1HA   GLY  19          1HA       GLY  19   3.770  12.430   3.085
  105   2HA   GLY  19          2HA       GLY  19   2.429  11.430   3.653
  106    H    ASN  20           H        ASN  20   3.613   9.980   0.896
  107    HA   ASN  20           HA       ASN  20   4.692   8.012   0.531
  108   2HB   ASN  20          2HB       ASN  20   7.162   8.303   0.910
  109   1HD2  ASN  20          1HD2      ASN  20   7.827   8.727  -1.158
  110   2HD2  ASN  20          2HD2      ASN  20   6.885   9.758  -2.229
  111    HA   PRO  21           HA       PRO  21   4.705   5.986   4.714
  112   2HB   PRO  21          2HB       PRO  21   2.463   6.221   5.243
  113   2HG   PRO  21          2HG       PRO  21   0.849   6.615   3.580
  114   2HD   PRO  21          2HD       PRO  21   2.396   8.228   3.098
  115    HA   PRO  22           HA       PRO  22   6.176   2.574   2.326
  116   2HB   PRO  22          2HB       PRO  22   7.388   2.218   4.305
  117   2HG   PRO  22          2HG       PRO  22   6.270   1.998   6.440
  118   2HD   PRO  22          2HD       PRO  22   5.817   4.154   5.583
  119    H    CYS  23           H        CYS  23   5.899   0.289   1.665
  120    HA   CYS  23           HA       CYS  23   3.126  -0.701   1.636
  121   2HB   CYS  23          2HB       CYS  23   3.963  -2.556   0.386
  122    H    ARG  24           H        ARG  24   2.530  -2.622   2.809
  123    HA   ARG  24           HA       ARG  24   4.563  -3.949   4.475
  124   2HB   ARG  24          2HB       ARG  24   1.854  -3.054   5.560
  125   2HG   ARG  24          2HG       ARG  24   4.257  -4.448   6.836
  126   2HD   ARG  24          2HD       ARG  24   1.631  -3.532   8.077
  127    HE   ARG  24           HE       ARG  24   3.421  -5.548   8.929
  128   1HH1  ARG  24          1HH1      ARG  24   1.936  -2.629  10.220
  129   2HH1  ARG  24          2HH1      ARG  24   1.977  -3.132  11.882
  130   1HH2  ARG  24          1HH2      ARG  24   3.500  -6.270  11.128
  131   2HH2  ARG  24          2HH2      ARG  24   2.891  -5.269  12.402
  132    H    ASN  25           H        ASN  25   4.348  -6.115   4.202
  133    HA   ASN  25           HA       ASN  25   3.719  -8.044   3.223
  134   2HB   ASN  25          2HB       ASN  25   0.934  -7.240   4.166
  135   1HD2  ASN  25          1HD2      ASN  25  -0.577  -8.954   4.219
  136   2HD2  ASN  25          2HD2      ASN  25  -0.181 -10.570   3.661
  137    H    GLY  26           H        GLY  26   3.822  -5.787   1.427
  138   1HA   GLY  26          1HA       GLY  26   3.517  -5.520  -0.812
  139   2HA   GLY  26          2HA       GLY  26   2.501  -6.958  -0.863
  140    H    PHE  27           H        PHE  27   1.476  -4.501   1.442
  141    HA   PHE  27           HA       PHE  27  -0.442  -3.365  -0.519
  142   2HB   PHE  27          2HB       PHE  27  -2.176  -3.476   1.207
  143    HD1  PHE  27           HD1      PHE  27  -0.729  -6.587   2.370
  144    HD2  PHE  27           HD2      PHE  27  -2.756  -4.764  -0.957
  145    HE1  PHE  27           HE1      PHE  27  -1.367  -8.824   1.530
  146    HE2  PHE  27           HE2      PHE  27  -3.503  -6.991  -1.731
  147    HZ   PHE  27           HZ       PHE  27  -2.790  -9.038  -0.500
  148    H    CYS  28           H        CYS  28  -1.032  -1.165  -0.149
  149    HA   CYS  28           HA       CYS  28   1.171   0.315   0.998
  150   2HB   CYS  28          2HB       CYS  28  -1.480   1.309  -0.107
  151    H    ALA  29           H        ALA  29   1.423   1.143   3.055
  152    HA   ALA  29           HA       ALA  29  -0.753   0.901   4.987
  153   1HB   ALA  29          1HB       ALA  29   0.870   1.836   6.547
  154   2HB   ALA  29          2HB       ALA  29   1.604   0.527   5.597
  155   3HB   ALA  29          3HB       ALA  29   1.975   2.221   5.211
  156    H    CYS  30           H        CYS  30  -2.008   2.302   3.185
  157    HA   CYS  30           HA       CYS  30  -2.464   4.837   4.590
  158   2HB   CYS  30          2HB       CYS  30  -1.935   4.952   1.598
  159    H    THR  31           H        THR  31  -4.241   3.590   5.228
  160    HA   THR  31           HA       THR  31  -6.515   3.611   3.299
  161    HB   THR  31           HB       THR  31  -5.735   1.323   3.378
  162    HG1  THR  31           HG1      THR  31  -8.012   1.764   4.994
  163   1HG2  THR  31          1HG2      THR  31  -5.705   0.008   5.464
  164   2HG2  THR  31          2HG2      THR  31  -4.461   1.263   5.472
  165   3HG2  THR  31          3HG2      THR  31  -5.953   1.478   6.419
  Start of MODEL    7
    1   1H    THR   1          1H        THR   1 -12.464  -6.717   6.197
    2    HA   THR   1           HA       THR   1 -13.158  -8.842   4.369
    3    HB   THR   1           HB       THR   1 -13.769  -7.208   2.557
    4    HG1  THR   1           HG1      THR   1 -14.388  -5.083   3.357
    5   1HG2  THR   1          1HG2      THR   1 -15.564  -6.964   5.014
    6   2HG2  THR   1          2HG2      THR   1 -16.043  -6.733   3.321
    7   3HG2  THR   1          3HG2      THR   1 -15.551  -8.339   3.888
    8    HA   PRO   2           HA       PRO   2  -8.872  -7.977   3.537
    9   2HB   PRO   2          2HB       PRO   2  -8.928 -10.091   2.563
   10   2HG   PRO   2          2HG       PRO   2 -10.605 -10.694   0.936
   11   2HD   PRO   2          2HD       PRO   2 -11.689 -10.136   2.972
   12    H    PHE   3           H        PHE   3 -10.140  -5.628   3.348
   13    HA   PHE   3           HA       PHE   3  -9.904  -4.426   0.682
   14   2HB   PHE   3          2HB       PHE   3 -10.461  -3.112   3.363
   15    HD1  PHE   3           HD1      PHE   3 -12.013  -2.951  -0.052
   16    HD2  PHE   3           HD2      PHE   3  -9.692  -0.861   2.925
   17    HE1  PHE   3           HE1      PHE   3 -12.144  -0.876  -1.401
   18    HE2  PHE   3           HE2      PHE   3  -9.836   1.211   1.578
   19    HZ   PHE   3           HZ       PHE   3 -11.055   1.209  -0.592
   20    H    ALA   4           H        ALA   4  -7.621  -5.247   0.640
   21    HA   ALA   4           HA       ALA   4  -5.690  -3.342   1.939
   22   1HB   ALA   4          1HB       ALA   4  -5.259  -6.251   1.180
   23   2HB   ALA   4          2HB       ALA   4  -4.151  -5.169   2.062
   24   3HB   ALA   4          3HB       ALA   4  -5.672  -5.664   2.807
   25    H    ILE   5           H        ILE   5  -5.118  -1.879   0.422
   26    HA   ILE   5           HA       ILE   5  -5.101  -2.514  -2.421
   27    HB   ILE   5           HB       ILE   5  -4.202  -0.006  -0.945
   28   2HG1  ILE   5          2HG1      ILE   5  -6.574  -0.529  -0.496
   29   1HG2  ILE   5          1HG2      ILE   5  -3.265  -0.221  -3.247
   30   2HG2  ILE   5          2HG2      ILE   5  -4.903  -0.471  -3.883
   31   3HG2  ILE   5          3HG2      ILE   5  -4.439   1.079  -3.155
   32   1HD1  ILE   5          1HD1      ILE   5  -5.926   1.863  -0.963
   33   2HD1  ILE   5          2HD1      ILE   5  -6.555   1.624  -2.618
   34   3HD1  ILE   5          3HD1      ILE   5  -7.631   1.446  -1.229
   35    H    LYS   6           H        LYS   6  -3.385  -3.316  -3.511
   36    HA   LYS   6           HA       LYS   6  -1.102  -4.281  -2.168
   37   2HB   LYS   6          2HB       LYS   6  -0.292  -4.836  -4.464
   38   2HG   LYS   6          2HG       LYS   6  -3.220  -5.497  -3.897
   39   2HD   LYS   6          2HD       LYS   6  -1.077  -6.910  -5.550
   40   2HE   LYS   6          2HE       LYS   6  -4.018  -7.602  -5.029
   41   1HZ   LYS   6          1HZ       LYS   6  -3.281  -8.240  -7.226
   42   2HZ   LYS   6          2HZ       LYS   6  -1.989  -9.052  -6.604
   43   3HZ   LYS   6          3HZ       LYS   6  -3.517  -9.567  -6.285
   44    H    CYS   7           H        CYS   7   1.132  -3.843  -2.433
   45    HA   CYS   7           HA       CYS   7   2.088  -1.308  -3.588
   46   2HB   CYS   7          2HB       CYS   7   2.071  -1.892  -0.594
   47    H    ALA   8           H        ALA   8   4.073  -1.938  -4.486
   48    HA   ALA   8           HA       ALA   8   5.576  -4.175  -3.170
   49   1HB   ALA   8          1HB       ALA   8   5.058  -4.506  -5.546
   50   2HB   ALA   8          2HB       ALA   8   5.818  -2.952  -5.948
   51   3HB   ALA   8          3HB       ALA   8   6.800  -4.273  -5.286
   52    H    THR   9           H        THR   9   5.661  -0.814  -4.299
   53    HA   THR   9           HA       THR   9   8.374  -0.406  -3.107
   54    HB   THR   9           HB       THR   9   8.571   1.314  -4.899
   55    HG1  THR   9           HG1      THR   9   6.076   0.198  -5.772
   56   1HG2  THR   9          1HG2      THR   9   8.875  -0.206  -6.774
   57   2HG2  THR   9          2HG2      THR   9   9.435  -0.982  -5.279
   58   3HG2  THR   9          3HG2      THR   9   7.875  -1.448  -5.998
   59    H    ASP  10           H        ASP  10   8.865   1.600  -2.273
   60    HA   ASP  10           HA       ASP  10   7.247   3.405  -0.879
   61   2HB   ASP  10          2HB       ASP  10   9.616   3.624  -0.812
   62    H    ALA  11           H        ALA  11   8.302   3.756  -4.317
   63    HA   ALA  11           HA       ALA  11   6.698   5.686  -5.194
   64   1HB   ALA  11          1HB       ALA  11   8.367   4.540  -6.565
   65   2HB   ALA  11          2HB       ALA  11   7.279   3.153  -6.771
   66   3HB   ALA  11          3HB       ALA  11   6.833   4.734  -7.438
   67    H    ASP  12           H        ASP  12   5.474   2.247  -5.149
   68    HA   ASP  12           HA       ASP  12   2.953   2.731  -6.273
   69   2HB   ASP  12          2HB       ASP  12   2.091   0.870  -4.823
   70    H    CYS  13           H        CYS  13   3.771   2.778  -2.794
   71    HA   CYS  13           HA       CYS  13   1.269   3.822  -1.875
   72   2HB   CYS  13          2HB       CYS  13   2.978   4.966  -0.134
   73    H    SER  14           H        SER  14   4.324   5.488  -2.600
   74    HA   SER  14           HA       SER  14   3.239   8.142  -2.259
   75   2HB   SER  14          2HB       SER  14   5.916   7.512  -3.536
   76    HG   SER  14           HG       SER  14   6.472   9.232  -2.096
   77    H    ARG  15           H        ARG  15   1.602   7.216  -3.960
   78    HA   ARG  15           HA       ARG  15   1.654   8.722  -6.349
   79   2HB   ARG  15          2HB       ARG  15   2.114   5.713  -6.747
   80   2HG   ARG  15          2HG       ARG  15   2.487   6.740  -9.166
   81   2HD   ARG  15          2HD       ARG  15  -0.233   5.985  -8.001
   82    HE   ARG  15           HE       ARG  15   0.083   5.936 -10.869
   83   1HH1  ARG  15          1HH1      ARG  15  -1.010   8.008  -8.164
   84   2HH1  ARG  15          2HH1      ARG  15  -2.001   9.007  -9.168
   85   1HH2  ARG  15          1HH2      ARG  15  -1.255   7.270 -12.181
   86   2HH2  ARG  15          2HH2      ARG  15  -2.160   8.574 -11.487
   87    H    LYS  16           H        LYS  16   0.506   5.738  -4.685
   88    HA   LYS  16           HA       LYS  16  -2.236   6.127  -5.580
   89   2HB   LYS  16          2HB       LYS  16  -1.133   4.308  -3.390
   90   2HG   LYS  16          2HG       LYS  16  -3.049   2.859  -4.408
   91   2HD   LYS  16          2HD       LYS  16  -3.230   4.923  -2.294
   92   2HE   LYS  16          2HE       LYS  16  -5.623   4.578  -1.899
   93   1HZ   LYS  16          1HZ       LYS  16  -4.830   6.491  -3.310
   94   2HZ   LYS  16          2HZ       LYS  16  -5.394   5.686  -4.607
   95   3HZ   LYS  16          3HZ       LYS  16  -6.440   6.121  -3.416
   96    H    CYS  17           H        CYS  17  -0.335   6.922  -2.647
   97    HA   CYS  17           HA       CYS  17  -2.567   8.522  -1.560
   98   2HB   CYS  17          2HB       CYS  17  -1.272   6.097  -0.289
   99    HA   PRO  18           HA       PRO  18   1.030  11.049  -1.218
  100   2HB   PRO  18          2HB       PRO  18  -0.451  12.804  -1.566
  101   2HG   PRO  18          2HG       PRO  18  -2.564  12.910  -0.407
  102   2HD   PRO  18          2HD       PRO  18  -2.478  10.873  -1.634
  103    H    GLY  19           H        GLY  19   2.388  12.256   0.408
  104   1HA   GLY  19          1HA       GLY  19   3.362  12.550   2.479
  105   2HA   GLY  19          2HA       GLY  19   2.173  11.481   3.229
  106    H    ASN  20           H        ASN  20   3.631  10.137   0.425
  107    HA   ASN  20           HA       ASN  20   4.834   8.263   0.141
  108   2HB   ASN  20          2HB       ASN  20   6.937   9.619   1.866
  109   1HD2  ASN  20          1HD2      ASN  20   7.463   7.073   1.706
  110   2HD2  ASN  20          2HD2      ASN  20   8.440   6.625   0.306
  111    HA   PRO  21           HA       PRO  21   4.146   6.374   4.367
  112   2HB   PRO  21          2HB       PRO  21   1.848   6.486   4.393
  113   2HG   PRO  21          2HG       PRO  21   0.608   6.712   2.364
  114   2HD   PRO  21          2HD       PRO  21   2.198   8.353   2.191
  115    HA   PRO  22           HA       PRO  22   6.204   2.791   2.674
  116   2HB   PRO  22          2HB       PRO  22   7.104   2.715   4.841
  117   2HG   PRO  22          2HG       PRO  22   5.682   2.765   6.793
  118   2HD   PRO  22          2HD       PRO  22   5.315   4.769   5.597
  119    H    CYS  23           H        CYS  23   5.975   0.566   1.983
  120    HA   CYS  23           HA       CYS  23   3.257  -0.540   1.842
  121   2HB   CYS  23          2HB       CYS  23   4.243  -2.465   0.830
  122    H    ARG  24           H        ARG  24   2.578  -2.324   3.092
  123    HA   ARG  24           HA       ARG  24   4.350  -3.391   5.207
  124   2HB   ARG  24          2HB       ARG  24   1.477  -2.435   5.652
  125   2HG   ARG  24          2HG       ARG  24   2.360  -2.531   8.087
  126   2HD   ARG  24          2HD       ARG  24   1.760  -5.189   6.693
  127    HE   ARG  24           HE       ARG  24   0.930  -4.744   9.434
  128   1HH1  ARG  24          1HH1      ARG  24   3.617  -5.897   7.482
  129   2HH1  ARG  24          2HH1      ARG  24   4.246  -6.996   8.674
  130   1HH2  ARG  24          1HH2      ARG  24   1.741  -6.165  11.074
  131   2HH2  ARG  24          2HH2      ARG  24   3.151  -7.125  10.780
  132    H    ASN  25           H        ASN  25   4.422  -5.524   4.794
  133    HA   ASN  25           HA       ASN  25   3.946  -7.580   4.002
  134   2HB   ASN  25          2HB       ASN  25   1.088  -6.954   4.853
  135   1HD2  ASN  25          1HD2      ASN  25  -0.297  -8.739   4.751
  136   2HD2  ASN  25          2HD2      ASN  25   0.261 -10.369   4.416
  137    H    GLY  26           H        GLY  26   3.933  -5.487   2.039
  138   1HA   GLY  26          1HA       GLY  26   3.685  -5.485  -0.226
  139   2HA   GLY  26          2HA       GLY  26   2.689  -6.934  -0.146
  140    H    PHE  27           H        PHE  27   1.522  -4.357   1.917
  141    HA   PHE  27           HA       PHE  27  -0.329  -3.375  -0.198
  142   2HB   PHE  27          2HB       PHE  27  -2.119  -3.404   1.467
  143    HD1  PHE  27           HD1      PHE  27  -0.541  -6.393   2.840
  144    HD2  PHE  27           HD2      PHE  27  -2.702  -4.860  -0.548
  145    HE1  PHE  27           HE1      PHE  27  -1.097  -8.704   2.145
  146    HE2  PHE  27           HE2      PHE  27  -3.390  -7.156  -1.159
  147    HZ   PHE  27           HZ       PHE  27  -2.564  -9.095   0.173
  148    H    CYS  28           H        CYS  28  -0.945  -1.135   0.023
  149    HA   CYS  28           HA       CYS  28   1.232   0.374   1.180
  150   2HB   CYS  28          2HB       CYS  28  -1.388   1.430   0.058
  151    H    ALA  29           H        ALA  29   1.434   1.223   3.242
  152    HA   ALA  29           HA       ALA  29  -0.479   0.613   5.232
  153   1HB   ALA  29          1HB       ALA  29   1.689   2.749   5.236
  154   2HB   ALA  29          2HB       ALA  29   0.856   2.103   6.666
  155   3HB   ALA  29          3HB       ALA  29   1.894   1.044   5.694
  156    H    CYS  30           H        CYS  30   0.061   3.597   3.395
  157    HA   CYS  30           HA       CYS  30  -0.918   5.686   3.542
  158   2HB   CYS  30          2HB       CYS  30  -3.318   3.955   2.955
  159    H    THR  31           H        THR  31  -0.433   5.564   6.005
  160    HA   THR  31           HA       THR  31  -2.614   6.852   7.308
  161    HB   THR  31           HB       THR  31  -3.327   4.460   7.642
  162    HG1  THR  31           HG1      THR  31  -3.924   5.829   9.223
  163   1HG2  THR  31          1HG2      THR  31  -0.772   4.164   9.285
  164   2HG2  THR  31          2HG2      THR  31  -2.068   2.977   9.072
  165   3HG2  THR  31          3HG2      THR  31  -1.043   3.416   7.697
  Start of MODEL    8
    1   1H    THR   1          1H        THR   1  -4.632  -9.026   8.764
    2    HA   THR   1           HA       THR   1  -6.697 -10.069   7.041
    3    HB   THR   1           HB       THR   1  -7.457  -7.665   7.255
    4    HG1  THR   1           HG1      THR   1  -5.371  -6.816   7.523
    5   1HG2  THR   1          1HG2      THR   1  -6.765  -9.058   9.888
    6   2HG2  THR   1          2HG2      THR   1  -7.987  -7.796   9.649
    7   3HG2  THR   1          3HG2      THR   1  -8.199  -9.385   8.890
    8    HA   PRO   2           HA       PRO   2  -3.649  -8.594   3.819
    9   2HB   PRO   2          2HB       PRO   2  -2.793 -10.762   3.719
   10   2HG   PRO   2          2HG       PRO   2  -4.221 -12.701   3.893
   11   2HD   PRO   2          2HD       PRO   2  -4.436 -11.440   5.897
   12    H    PHE   3           H        PHE   3  -5.992  -7.373   3.972
   13    HA   PHE   3           HA       PHE   3  -7.387  -7.630   1.340
   14   2HB   PHE   3          2HB       PHE   3  -9.519  -7.555   2.494
   15    HD1  PHE   3           HD1      PHE   3  -8.392  -9.788   1.143
   16    HD2  PHE   3           HD2      PHE   3  -8.997  -9.297   5.388
   17    HE1  PHE   3           HE1      PHE   3  -8.421 -12.244   1.426
   18    HE2  PHE   3           HE2      PHE   3  -9.031 -11.758   5.660
   19    HZ   PHE   3           HZ       PHE   3  -8.731 -13.236   3.684
   20    H    ALA   4           H        ALA   4  -5.881  -5.754   1.004
   21    HA   ALA   4           HA       ALA   4  -7.309  -3.275   1.487
   22   1HB   ALA   4          1HB       ALA   4  -4.479  -3.652   2.585
   23   2HB   ALA   4          2HB       ALA   4  -5.373  -2.119   2.531
   24   3HB   ALA   4          3HB       ALA   4  -5.944  -3.439   3.561
   25    H    ILE   5           H        ILE   5  -5.708  -1.481   0.483
   26    HA   ILE   5           HA       ILE   5  -5.380  -2.043  -2.281
   27    HB   ILE   5           HB       ILE   5  -4.225   0.113  -0.469
   28   2HG1  ILE   5          2HG1      ILE   5  -6.774  -0.062  -0.719
   29   1HG2  ILE   5          1HG2      ILE   5  -4.314   0.020  -3.520
   30   2HG2  ILE   5          2HG2      ILE   5  -3.810   1.416  -2.540
   31   3HG2  ILE   5          3HG2      ILE   5  -2.856  -0.045  -2.513
   32   1HD1  ILE   5          1HD1      ILE   5  -5.685   2.041  -0.050
   33   2HD1  ILE   5          2HD1      ILE   5  -5.553   2.525  -1.753
   34   3HD1  ILE   5          3HD1      ILE   5  -7.145   2.288  -1.021
   35    H    LYS   6           H        LYS   6  -3.643  -2.904  -3.408
   36    HA   LYS   6           HA       LYS   6  -1.564  -4.229  -1.890
   37   2HB   LYS   6          2HB       LYS   6  -0.792  -4.681  -4.403
   38   2HG   LYS   6          2HG       LYS   6  -1.538  -6.423  -2.911
   39   2HD   LYS   6          2HD       LYS   6  -4.375  -5.544  -3.674
   40   2HE   LYS   6          2HE       LYS   6  -5.082  -7.407  -2.161
   41   1HZ   LYS   6          1HZ       LYS   6  -4.993  -7.866  -4.523
   42   2HZ   LYS   6          2HZ       LYS   6  -3.446  -8.416  -4.392
   43   3HZ   LYS   6          3HZ       LYS   6  -4.668  -9.211  -3.638
   44    H    CYS   7           H        CYS   7   0.747  -4.051  -2.438
   45    HA   CYS   7           HA       CYS   7   1.782  -1.558  -3.600
   46   2HB   CYS   7          2HB       CYS   7   2.082  -2.221  -0.635
   47    H    ALA   8           H        ALA   8   3.672  -2.140  -4.633
   48    HA   ALA   8           HA       ALA   8   5.033  -4.675  -3.847
   49   1HB   ALA   8          1HB       ALA   8   5.275  -2.980  -6.370
   50   2HB   ALA   8          2HB       ALA   8   6.109  -4.507  -6.027
   51   3HB   ALA   8          3HB       ALA   8   4.343  -4.484  -6.210
   52    H    THR   9           H        THR   9   5.576  -1.184  -4.650
   53    HA   THR   9           HA       THR   9   7.764  -1.174  -2.614
   54    HB   THR   9           HB       THR   9   9.019   0.432  -4.060
   55    HG1  THR   9           HG1      THR   9   8.499   0.385  -6.292
   56   1HG2  THR   9          1HG2      THR   9   9.659  -1.978  -3.898
   57   2HG2  THR   9          2HG2      THR   9   8.641  -2.328  -5.313
   58   3HG2  THR   9          3HG2      THR   9  10.056  -1.270  -5.477
   59    H    ASP  10           H        ASP  10   8.149   0.869  -1.698
   60    HA   ASP  10           HA       ASP  10   6.149   2.388  -0.615
   61   2HB   ASP  10          2HB       ASP  10   8.377   2.659   0.136
   62    H    ALA  11           H        ALA  11   7.992   3.426  -3.501
   63    HA   ALA  11           HA       ALA  11   6.757   5.359  -4.690
   64   1HB   ALA  11          1HB       ALA  11   7.235   2.719  -6.122
   65   2HB   ALA  11          2HB       ALA  11   7.129   4.318  -6.883
   66   3HB   ALA  11          3HB       ALA  11   8.462   3.956  -5.766
   67    H    ASP  12           H        ASP  12   5.129   2.099  -4.834
   68    HA   ASP  12           HA       ASP  12   2.965   2.904  -6.503
   69   2HB   ASP  12          2HB       ASP  12   1.785   0.945  -5.566
   70    H    CYS  13           H        CYS  13   3.164   2.473  -3.016
   71    HA   CYS  13           HA       CYS  13   0.515   3.347  -2.419
   72   2HB   CYS  13          2HB       CYS  13   2.980   3.084  -0.650
   73    H    SER  14           H        SER  14   3.693   4.911  -2.101
   74    HA   SER  14           HA       SER  14   2.951   7.447  -1.182
   75   2HB   SER  14          2HB       SER  14   5.154   6.806  -3.194
   76    HG   SER  14           HG       SER  14   4.839   9.042  -2.715
   77    H    ARG  15           H        ARG  15   3.157   6.255  -4.588
   78    HA   ARG  15           HA       ARG  15   2.493   8.767  -5.746
   79   2HB   ARG  15          2HB       ARG  15   2.204   5.950  -6.900
   80   2HG   ARG  15          2HG       ARG  15   2.841   7.453  -9.001
   81   2HD   ARG  15          2HD       ARG  15  -0.008   7.074  -7.959
   82    HE   ARG  15           HE       ARG  15   0.390   7.591 -10.777
   83   1HH1  ARG  15          1HH1      ARG  15  -0.306   9.208  -7.666
   84   2HH1  ARG  15          2HH1      ARG  15  -1.096  10.559  -8.399
   85   1HH2  ARG  15          1HH2      ARG  15  -0.649   9.406 -11.737
   86   2HH2  ARG  15          2HH2      ARG  15  -1.287  10.679 -10.752
   87    H    LYS  16           H        LYS  16   0.492   6.000  -4.678
   88    HA   LYS  16           HA       LYS  16  -1.944   7.146  -5.759
   89   2HB   LYS  16          2HB       LYS  16  -1.639   4.991  -3.635
   90   2HG   LYS  16          2HG       LYS  16  -3.823   5.695  -5.659
   91   2HD   LYS  16          2HD       LYS  16  -3.639   3.414  -3.655
   92   2HE   LYS  16          2HE       LYS  16  -5.807   4.215  -5.674
   93   1HZ   LYS  16          1HZ       LYS  16  -5.742   1.904  -3.851
   94   2HZ   LYS  16          2HZ       LYS  16  -7.008   2.356  -4.797
   95   3HZ   LYS  16          3HZ       LYS  16  -5.612   1.835  -5.491
   96    H    CYS  17           H        CYS  17  -0.367   7.175  -2.559
   97    HA   CYS  17           HA       CYS  17  -2.403   9.065  -1.487
   98   2HB   CYS  17          2HB       CYS  17  -1.463   6.410  -0.394
   99    HA   PRO  18           HA       PRO  18   1.613  10.872  -1.087
  100   2HB   PRO  18          2HB       PRO  18   0.546  12.823  -1.744
  101   2HG   PRO  18          2HG       PRO  18  -1.588  13.460  -0.817
  102   2HD   PRO  18          2HD       PRO  18  -1.793  11.312  -1.834
  103    H    GLY  19           H        GLY  19   3.001  12.129   0.529
  104   1HA   GLY  19          1HA       GLY  19   3.934  12.410   2.624
  105   2HA   GLY  19          2HA       GLY  19   2.568  11.581   3.380
  106    H    ASN  20           H        ASN  20   4.194  10.116   0.670
  107    HA   ASN  20           HA       ASN  20   4.857   7.989   0.459
  108   2HB   ASN  20          2HB       ASN  20   7.134   9.009   2.174
  109   1HD2  ASN  20          1HD2      ASN  20   9.274   8.305   0.963
  110   2HD2  ASN  20          2HD2      ASN  20   9.283   6.643   0.390
  111    HA   PRO  21           HA       PRO  21   3.605   5.819   4.358
  112   2HB   PRO  21          2HB       PRO  21   1.340   6.100   4.162
  113   2HG   PRO  21          2HG       PRO  21   0.373   6.901   2.120
  114   2HD   PRO  21          2HD       PRO  21   2.111   8.385   2.698
  115    HA   PRO  22           HA       PRO  22   5.875   2.918   1.713
  116   2HB   PRO  22          2HB       PRO  22   7.363   2.906   3.519
  117   2HG   PRO  22          2HG       PRO  22   6.583   2.692   5.794
  118   2HD   PRO  22          2HD       PRO  22   5.634   4.664   4.882
  119    H    CYS  23           H        CYS  23   6.007   0.357   1.544
  120    HA   CYS  23           HA       CYS  23   3.299  -0.767   1.533
  121   2HB   CYS  23          2HB       CYS  23   4.276  -2.814   0.824
  122    H    ARG  24           H        ARG  24   2.432  -1.594   3.347
  123    HA   ARG  24           HA       ARG  24   4.019  -3.041   5.387
  124   2HB   ARG  24          2HB       ARG  24   1.045  -3.058   4.722
  125   2HG   ARG  24          2HG       ARG  24   2.611  -4.243   7.062
  126   2HD   ARG  24          2HD       ARG  24  -0.376  -4.086   6.452
  127    HE   ARG  24           HE       ARG  24  -0.465  -6.073   7.511
  128   1HH1  ARG  24          1HH1      ARG  24   1.918  -4.095   9.177
  129   2HH1  ARG  24          2HH1      ARG  24   2.167  -5.193  10.500
  130   1HH2  ARG  24          1HH2      ARG  24  -0.166  -7.581   9.237
  131   2HH2  ARG  24          2HH2      ARG  24   0.945  -7.236  10.519
  132    H    ASN  25           H        ASN  25   5.308  -3.849   3.610
  133    HA   ASN  25           HA       ASN  25   5.712  -5.157   1.677
  134   2HB   ASN  25          2HB       ASN  25   6.212  -7.435   2.602
  135   1HD2  ASN  25          1HD2      ASN  25   6.477  -5.136   5.338
  136   2HD2  ASN  25          2HD2      ASN  25   8.174  -4.789   5.052
  137    H    GLY  26           H        GLY  26   3.892  -4.967   0.253
  138   1HA   GLY  26          1HA       GLY  26   2.691  -6.573  -1.147
  139   2HA   GLY  26          2HA       GLY  26   2.001  -7.301   0.306
  140    H    PHE  27           H        PHE  27   1.632  -4.684   1.682
  141    HA   PHE  27           HA       PHE  27  -0.747  -3.718   0.160
  142   2HB   PHE  27          2HB       PHE  27  -1.856  -3.573   2.369
  143    HD1  PHE  27           HD1      PHE  27   0.047  -6.730   2.756
  144    HD2  PHE  27           HD2      PHE  27  -3.295  -4.843   0.803
  145    HE1  PHE  27           HE1      PHE  27  -0.777  -8.948   2.014
  146    HE2  PHE  27           HE2      PHE  27  -4.206  -7.076   0.205
  147    HZ   PHE  27           HZ       PHE  27  -2.885  -9.116   0.698
  148    H    CYS  28           H        CYS  28  -1.259  -1.567   0.273
  149    HA   CYS  28           HA       CYS  28   0.940   0.267   0.790
  150   2HB   CYS  28          2HB       CYS  28  -1.905   0.512  -0.228
  151    H    ALA  29           H        ALA  29   1.392   1.147   2.795
  152    HA   ALA  29           HA       ALA  29  -0.624   0.957   4.913
  153   1HB   ALA  29          1HB       ALA  29   2.166   2.158   4.962
  154   2HB   ALA  29          2HB       ALA  29   1.165   1.710   6.358
  155   3HB   ALA  29          3HB       ALA  29   1.782   0.450   5.269
  156    H    CYS  30           H        CYS  30  -1.699   2.615   2.959
  157    HA   CYS  30           HA       CYS  30  -1.200   5.447   3.481
  158   2HB   CYS  30          2HB       CYS  30  -3.520   4.016   2.165
  159    H    THR  31           H        THR  31  -1.240   5.368   5.822
  160    HA   THR  31           HA       THR  31  -3.157   4.356   7.426
  161    HB   THR  31           HB       THR  31  -1.871   7.026   8.084
  162    HG1  THR  31           HG1      THR  31  -0.577   4.559   7.570
  163   1HG2  THR  31          1HG2      THR  31  -3.148   5.831   9.864
  164   2HG2  THR  31          2HG2      THR  31  -2.122   4.397   9.630
  165   3HG2  THR  31          3HG2      THR  31  -1.415   5.911  10.230
  Start of MODEL    9
    1   1H    THR   1          1H        THR   1  -8.881  -3.899   8.812
    2    HA   THR   1           HA       THR   1 -11.655  -4.300   9.148
    3    HB   THR   1           HB       THR   1 -12.335  -2.705   7.248
    4    HG1  THR   1           HG1      THR   1  -9.754  -1.719   7.822
    5   1HG2  THR   1          1HG2      THR   1 -12.466  -0.712   8.671
    6   2HG2  THR   1          2HG2      THR   1 -12.847  -2.168   9.611
    7   3HG2  THR   1          3HG2      THR   1 -11.258  -1.389   9.783
    8    HA   PRO   2           HA       PRO   2 -10.374  -6.986   5.765
    9   2HB   PRO   2          2HB       PRO   2 -12.324  -8.170   6.227
   10   2HG   PRO   2          2HG       PRO   2 -14.440  -7.060   6.522
   11   2HD   PRO   2          2HD       PRO   2 -12.939  -6.202   8.151
   12    H    PHE   3           H        PHE   3  -9.386  -4.741   5.103
   13    HA   PHE   3           HA       PHE   3 -10.029  -4.256   2.281
   14   2HB   PHE   3          2HB       PHE   3 -10.293  -2.119   4.441
   15    HD1  PHE   3           HD1      PHE   3 -11.647  -2.315   0.965
   16    HD2  PHE   3           HD2      PHE   3  -8.834  -0.379   3.600
   17    HE1  PHE   3           HE1      PHE   3 -11.257  -0.558  -0.740
   18    HE2  PHE   3           HE2      PHE   3  -8.456   1.383   1.899
   19    HZ   PHE   3           HZ       PHE   3  -9.689   1.310  -0.264
   20    H    ALA   4           H        ALA   4  -8.094  -3.917   1.256
   21    HA   ALA   4           HA       ALA   4  -5.876  -2.548   2.544
   22   1HB   ALA   4          1HB       ALA   4  -5.629  -5.531   1.957
   23   2HB   ALA   4          2HB       ALA   4  -4.316  -4.437   2.456
   24   3HB   ALA   4          3HB       ALA   4  -5.645  -4.785   3.568
   25    H    ILE   5           H        ILE   5  -5.564  -1.204   0.844
   26    HA   ILE   5           HA       ILE   5  -5.815  -1.919  -1.932
   27    HB   ILE   5           HB       ILE   5  -4.459   0.371  -0.461
   28   2HG1  ILE   5          2HG1      ILE   5  -7.030   0.065  -0.413
   29   1HG2  ILE   5          1HG2      ILE   5  -3.339   0.161  -2.619
   30   2HG2  ILE   5          2HG2      ILE   5  -4.898   0.029  -3.462
   31   3HG2  ILE   5          3HG2      ILE   5  -4.407   1.543  -2.678
   32   1HD1  ILE   5          1HD1      ILE   5  -5.940   2.673  -1.545
   33   2HD1  ILE   5          2HD1      ILE   5  -7.481   2.429  -0.711
   34   3HD1  ILE   5          3HD1      ILE   5  -5.959   2.193   0.162
   35    H    LYS   6           H        LYS   6  -4.193  -2.573  -3.399
   36    HA   LYS   6           HA       LYS   6  -1.993  -4.042  -2.235
   37   2HB   LYS   6          2HB       LYS   6  -2.045  -3.683  -5.182
   38   2HG   LYS   6          2HG       LYS   6  -0.842  -5.505  -3.821
   39   2HD   LYS   6          2HD       LYS   6  -3.585  -6.834  -3.966
   40   2HE   LYS   6          2HE       LYS   6  -1.439  -8.207  -3.730
   41   1HZ   LYS   6          1HZ       LYS   6  -0.406  -6.715  -2.034
   42   2HZ   LYS   6          2HZ       LYS   6  -1.537  -7.171  -0.961
   43   3HZ   LYS   6          3HZ       LYS   6  -0.496  -8.289  -1.547
   44    H    CYS   7           H        CYS   7   0.322  -3.774  -2.811
   45    HA   CYS   7           HA       CYS   7   1.210  -1.233  -4.010
   46   2HB   CYS   7          2HB       CYS   7   1.612  -1.954  -1.082
   47    H    ALA   8           H        ALA   8   3.322  -1.582  -4.894
   48    HA   ALA   8           HA       ALA   8   4.628  -4.193  -4.190
   49   1HB   ALA   8          1HB       ALA   8   5.708  -4.070  -6.352
   50   2HB   ALA   8          2HB       ALA   8   3.942  -4.046  -6.529
   51   3HB   ALA   8          3HB       ALA   8   4.877  -2.554  -6.736
   52    H    THR   9           H        THR   9   5.365  -0.818  -5.156
   53    HA   THR   9           HA       THR   9   7.804  -0.841  -3.416
   54    HB   THR   9           HB       THR   9   8.533   1.044  -4.823
   55    HG1  THR   9           HG1      THR   9   6.095   0.540  -6.221
   56   1HG2  THR   9          1HG2      THR   9   7.750  -1.365  -6.528
   57   2HG2  THR   9          2HG2      THR   9   9.036  -0.192  -6.863
   58   3HG2  THR   9          3HG2      THR   9   9.171  -1.275  -5.463
   59    H    ASP  10           H        ASP  10   8.171   1.100  -2.169
   60    HA   ASP  10           HA       ASP  10   6.162   2.429  -0.755
   61   2HB   ASP  10          2HB       ASP  10   8.436   2.713  -0.107
   62    H    ALA  11           H        ALA  11   7.824   3.697  -3.658
   63    HA   ALA  11           HA       ALA  11   6.166   5.705  -4.410
   64   1HB   ALA  11          1HB       ALA  11   7.150   5.466  -6.634
   65   2HB   ALA  11          2HB       ALA  11   8.359   5.159  -5.375
   66   3HB   ALA  11          3HB       ALA  11   7.634   3.797  -6.257
   67    H    ASP  12           H        ASP  12   4.849   2.554  -4.297
   68    HA   ASP  12           HA       ASP  12   2.747   3.223  -6.307
   69   2HB   ASP  12          2HB       ASP  12   1.791   1.034  -5.724
   70    H    CYS  13           H        CYS  13   3.298   2.855  -2.788
   71    HA   CYS  13           HA       CYS  13   0.474   3.506  -2.289
   72   2HB   CYS  13          2HB       CYS  13   2.714   3.575  -0.236
   73    H    SER  14           H        SER  14   3.641   5.059  -1.934
   74    HA   SER  14           HA       SER  14   2.662   7.778  -1.726
   75   2HB   SER  14          2HB       SER  14   5.429   6.818  -2.554
   76    HG   SER  14           HG       SER  14   4.364   9.203  -1.428
   77    H    ARG  15           H        ARG  15   1.126   7.416  -3.396
   78    HA   ARG  15           HA       ARG  15   1.711   8.762  -5.850
   79   2HB   ARG  15          2HB       ARG  15   0.989   5.807  -6.120
   80   2HG   ARG  15          2HG       ARG  15   1.830   7.788  -8.276
   81   2HD   ARG  15          2HD       ARG  15   1.032   6.016  -9.804
   82    HE   ARG  15           HE       ARG  15   3.368   5.795  -8.430
   83   1HH1  ARG  15          1HH1      ARG  15   1.064   3.188  -9.359
   84   2HH1  ARG  15          2HH1      ARG  15   2.264   1.984  -8.856
   85   1HH2  ARG  15          1HH2      ARG  15   4.726   4.052  -7.936
   86   2HH2  ARG  15          2HH2      ARG  15   4.235   2.432  -8.379
   87    H    LYS  16           H        LYS  16  -0.340   6.328  -4.215
   88    HA   LYS  16           HA       LYS  16  -2.817   7.717  -5.038
   89   2HB   LYS  16          2HB       LYS  16  -2.456   5.188  -3.384
   90   2HG   LYS  16          2HG       LYS  16  -4.779   6.347  -5.004
   91   2HD   LYS  16          2HD       LYS  16  -4.531   3.741  -3.446
   92   2HE   LYS  16          2HE       LYS  16  -6.842   4.945  -5.059
   93   1HZ   LYS  16          1HZ       LYS  16  -6.742   2.561  -5.288
   94   2HZ   LYS  16          2HZ       LYS  16  -6.709   2.359  -3.653
   95   3HZ   LYS  16          3HZ       LYS  16  -8.038   3.002  -4.377
   96    H    CYS  17           H        CYS  17  -0.870   6.996  -2.106
   97    HA   CYS  17           HA       CYS  17  -2.641   8.795  -0.505
   98   2HB   CYS  17          2HB       CYS  17  -1.246   6.230   0.258
   99    HA   PRO  18           HA       PRO  18   1.292  10.948  -0.599
  100   2HB   PRO  18          2HB       PRO  18  -0.074  12.791  -1.046
  101   2HG   PRO  18          2HG       PRO  18  -2.081  13.208   0.230
  102   2HD   PRO  18          2HD       PRO  18  -2.313  11.090  -0.809
  103    H    GLY  19           H        GLY  19   2.655  12.326   1.033
  104   1HA   GLY  19          1HA       GLY  19   3.697  12.590   3.077
  105   2HA   GLY  19          2HA       GLY  19   2.475  11.576   3.856
  106    H    ASN  20           H        ASN  20   4.499  10.837   1.063
  107    HA   ASN  20           HA       ASN  20   5.313   8.797   0.508
  108   2HB   ASN  20          2HB       ASN  20   7.420   9.755   2.441
  109   1HD2  ASN  20          1HD2      ASN  20   9.655   9.267   1.495
  110   2HD2  ASN  20          2HD2      ASN  20   9.824   7.763   0.601
  111    HA   PRO  21           HA       PRO  21   4.331   6.049   4.068
  112   2HB   PRO  21          2HB       PRO  21   2.033   6.345   3.901
  113   2HG   PRO  21          2HG       PRO  21   0.992   6.835   1.773
  114   2HD   PRO  21          2HD       PRO  21   2.577   8.490   2.216
  115    HA   PRO  22           HA       PRO  22   6.282   2.843   1.482
  116   2HB   PRO  22          2HB       PRO  22   7.613   2.517   3.378
  117   2HG   PRO  22          2HG       PRO  22   6.657   2.422   5.588
  118   2HD   PRO  22          2HD       PRO  22   6.114   4.548   4.702
  119    H    CYS  23           H        CYS  23   5.916   0.299   1.264
  120    HA   CYS  23           HA       CYS  23   3.032  -0.344   1.255
  121   2HB   CYS  23          2HB       CYS  23   3.659  -2.515   0.471
  122    H    ARG  24           H        ARG  24   2.121  -1.313   2.991
  123    HA   ARG  24           HA       ARG  24   3.636  -2.711   5.104
  124   2HB   ARG  24          2HB       ARG  24   0.667  -2.668   4.406
  125   2HG   ARG  24          2HG       ARG  24   1.240  -3.348   7.140
  126   2HD   ARG  24          2HD       ARG  24   0.207  -5.023   4.806
  127    HE   ARG  24           HE       ARG  24   0.484  -6.732   6.235
  128   1HH1  ARG  24          1HH1      ARG  24  -0.755  -3.999   8.065
  129   2HH1  ARG  24          2HH1      ARG  24  -1.104  -4.896   9.511
  130   1HH2  ARG  24          1HH2      ARG  24   0.068  -7.976   8.138
  131   2HH2  ARG  24          2HH2      ARG  24  -0.601  -7.224   9.548
  132    H    ASN  25           H        ASN  25   4.930  -3.703   3.434
  133    HA   ASN  25           HA       ASN  25   5.520  -5.421   1.981
  134   2HB   ASN  25          2HB       ASN  25   5.278  -7.583   3.175
  135   1HD2  ASN  25          1HD2      ASN  25   7.526  -6.551   3.129
  136   2HD2  ASN  25          2HD2      ASN  25   8.096  -5.870   4.640
  137    H    GLY  26           H        GLY  26   4.015  -4.769   0.209
  138   1HA   GLY  26          1HA       GLY  26   3.007  -5.955  -1.575
  139   2HA   GLY  26          2HA       GLY  26   2.240  -7.068  -0.460
  140    H    PHE  27           H        PHE  27   1.564  -4.410   1.219
  141    HA   PHE  27           HA       PHE  27  -0.743  -3.509  -0.434
  142   2HB   PHE  27          2HB       PHE  27  -2.090  -3.583   1.635
  143    HD1  PHE  27           HD1      PHE  27  -3.447  -4.902   0.082
  144    HD2  PHE  27           HD2      PHE  27  -0.071  -6.665   2.100
  145    HE1  PHE  27           HE1      PHE  27  -4.489  -7.139  -0.137
  146    HE2  PHE  27           HE2      PHE  27  -1.063  -8.916   1.788
  147    HZ   PHE  27           HZ       PHE  27  -3.302  -9.154   0.724
  148    H    CYS  28           H        CYS  28  -1.531  -1.385   0.220
  149    HA   CYS  28           HA       CYS  28   0.546   0.527   0.613
  150   2HB   CYS  28          2HB       CYS  28  -2.068   1.474   1.546
  151    H    ALA  29           H        ALA  29   1.529   1.306   2.587
  152    HA   ALA  29           HA       ALA  29   0.355   0.467   5.166
  153   1HB   ALA  29          1HB       ALA  29   2.472   2.570   4.567
  154   2HB   ALA  29          2HB       ALA  29   2.027   1.922   6.155
  155   3HB   ALA  29          3HB       ALA  29   2.785   0.862   4.953
  156    H    CYS  30           H        CYS  30   0.744   3.426   3.296
  157    HA   CYS  30           HA       CYS  30  -0.229   5.426   3.200
  158   2HB   CYS  30          2HB       CYS  30  -2.743   3.826   3.682
  159    H    THR  31           H        THR  31  -2.093   4.019   5.940
  160    HA   THR  31           HA       THR  31  -2.437   6.613   7.134
  161    HB   THR  31           HB       THR  31  -4.041   4.841   7.514
  162    HG1  THR  31           HG1      THR  31  -2.647   5.671   9.825
  163   1HG2  THR  31          1HG2      THR  31  -1.858   3.379   9.073
  164   2HG2  THR  31          2HG2      THR  31  -3.582   2.975   9.066
  165   3HG2  THR  31          3HG2      THR  31  -2.643   2.822   7.580
  Start of MODEL   10
    1   1H    THR   1          1H        THR   1  -8.979  -3.983   8.131
    2    HA   THR   1           HA       THR   1 -11.797  -4.045   8.260
    3    HB   THR   1           HB       THR   1 -12.122  -1.786   7.064
    4    HG1  THR   1           HG1      THR   1  -9.486  -1.464   8.032
    5   1HG2  THR   1          1HG2      THR   1 -12.083  -0.450   9.124
    6   2HG2  THR   1          2HG2      THR   1 -12.726  -2.071   9.450
    7   3HG2  THR   1          3HG2      THR   1 -11.064  -1.663   9.926
    8    HA   PRO   2           HA       PRO   2 -10.689  -5.510   4.158
    9   2HB   PRO   2          2HB       PRO   2 -12.799  -6.488   4.167
   10   2HG   PRO   2          2HG       PRO   2 -14.763  -5.257   4.817
   11   2HD   PRO   2          2HD       PRO   2 -13.253  -5.249   6.651
   12    H    PHE   3           H        PHE   3  -9.414  -3.333   4.365
   13    HA   PHE   3           HA       PHE   3 -10.049  -1.614   1.997
   14   2HB   PHE   3          2HB       PHE   3  -8.864  -0.609   4.612
   15    HD1  PHE   3           HD1      PHE   3  -7.601   1.291   3.836
   16    HD2  PHE   3           HD2      PHE   3 -11.539   0.553   2.241
   17    HE1  PHE   3           HE1      PHE   3  -7.639   3.572   2.857
   18    HE2  PHE   3           HE2      PHE   3 -11.550   2.814   1.223
   19    HZ   PHE   3           HZ       PHE   3  -9.616   4.341   1.558
   20    H    ALA   4           H        ALA   4  -8.560  -3.884   1.860
   21    HA   ALA   4           HA       ALA   4  -5.781  -3.493   2.541
   22   1HB   ALA   4          1HB       ALA   4  -6.920  -5.678   2.629
   23   2HB   ALA   4          2HB       ALA   4  -7.126  -5.649   0.864
   24   3HB   ALA   4          3HB       ALA   4  -5.499  -5.713   1.576
   25    H    ILE   5           H        ILE   5  -5.857  -1.347   1.253
   26    HA   ILE   5           HA       ILE   5  -5.606  -1.340  -1.587
   27    HB   ILE   5           HB       ILE   5  -4.358   0.477   0.513
   28   2HG1  ILE   5          2HG1      ILE   5  -6.888   0.378   0.390
   29   1HG2  ILE   5          1HG2      ILE   5  -4.568   0.833  -2.515
   30   2HG2  ILE   5          2HG2      ILE   5  -4.000   2.079  -1.376
   31   3HG2  ILE   5          3HG2      ILE   5  -3.069   0.621  -1.602
   32   1HD1  ILE   5          1HD1      ILE   5  -7.311   2.740   0.226
   33   2HD1  ILE   5          2HD1      ILE   5  -5.805   2.457   1.123
   34   3HD1  ILE   5          3HD1      ILE   5  -5.762   3.048  -0.552
   35    H    LYS   6           H        LYS   6  -4.235  -2.682  -2.682
   36    HA   LYS   6           HA       LYS   6  -1.832  -3.731  -1.617
   37   2HB   LYS   6          2HB       LYS   6  -1.223  -3.945  -4.151
   38   2HG   LYS   6          2HG       LYS   6  -3.728  -5.432  -3.471
   39   2HD   LYS   6          2HD       LYS   6  -1.951  -5.763  -5.467
   40   2HE   LYS   6          2HE       LYS   6  -0.309  -7.472  -5.023
   41   1HZ   LYS   6          1HZ       LYS   6   0.548  -5.248  -4.201
   42   2HZ   LYS   6          2HZ       LYS   6   0.059  -5.665  -2.701
   43   3HZ   LYS   6          3HZ       LYS   6   1.184  -6.541  -3.458
   44    H    CYS   7           H        CYS   7   0.265  -3.341  -2.064
   45    HA   CYS   7           HA       CYS   7   1.137  -0.760  -3.263
   46   2HB   CYS   7          2HB       CYS   7   2.131  -2.300  -0.835
   47    H    ALA   8           H        ALA   8   3.192  -1.084  -4.438
   48    HA   ALA   8           HA       ALA   8   3.963  -3.877  -5.014
   49   1HB   ALA   8          1HB       ALA   8   3.354  -1.805  -7.150
   50   2HB   ALA   8          2HB       ALA   8   4.367  -3.243  -7.416
   51   3HB   ALA   8          3HB       ALA   8   2.661  -3.417  -6.957
   52    H    THR   9           H        THR   9   5.102  -0.652  -6.298
   53    HA   THR   9           HA       THR   9   7.608  -1.058  -4.723
   54    HB   THR   9           HB       THR   9   8.337   1.029  -5.735
   55    HG1  THR   9           HG1      THR   9   5.883   0.958  -7.161
   56   1HG2  THR   9          1HG2      THR   9   7.183  -0.882  -7.822
   57   2HG2  THR   9          2HG2      THR   9   8.507   0.276  -8.058
   58   3HG2  THR   9          3HG2      THR   9   8.723  -1.100  -6.958
   59    H    ASP  10           H        ASP  10   8.294   0.760  -3.310
   60    HA   ASP  10           HA       ASP  10   6.413   1.640  -1.327
   61   2HB   ASP  10          2HB       ASP  10   8.828   1.389  -0.881
   62    H    ALA  11           H        ALA  11   8.035   3.025  -4.171
   63    HA   ALA  11           HA       ALA  11   6.853   5.519  -4.329
   64   1HB   ALA  11          1HB       ALA  11   7.214   5.478  -6.725
   65   2HB   ALA  11          2HB       ALA  11   8.586   4.751  -5.867
   66   3HB   ALA  11          3HB       ALA  11   7.418   3.720  -6.710
   67    H    ASP  12           H        ASP  12   5.362   2.465  -5.639
   68    HA   ASP  12           HA       ASP  12   3.030   3.677  -6.619
   69   2HB   ASP  12          2HB       ASP  12   1.906   1.461  -6.291
   70    H    CYS  13           H        CYS  13   3.670   2.562  -3.292
   71    HA   CYS  13           HA       CYS  13   1.002   3.218  -2.340
   72   2HB   CYS  13          2HB       CYS  13   3.657   2.951  -0.884
   73    H    SER  14           H        SER  14   4.128   4.898  -2.265
   74    HA   SER  14           HA       SER  14   3.104   7.485  -1.410
   75   2HB   SER  14          2HB       SER  14   5.761   6.573  -2.590
   76    HG   SER  14           HG       SER  14   5.380   8.821  -2.688
   77    H    ARG  15           H        ARG  15   1.521   6.841  -3.457
   78    HA   ARG  15           HA       ARG  15   1.918   8.771  -5.595
   79   2HB   ARG  15          2HB       ARG  15   2.263   5.802  -6.084
   80   2HG   ARG  15          2HG       ARG  15   2.178   7.769  -8.351
   81   2HD   ARG  15          2HD       ARG  15   1.800   4.731  -8.204
   82    HE   ARG  15           HE       ARG  15   1.686   6.547 -10.382
   83   1HH1  ARG  15          1HH1      ARG  15   2.976   3.240  -9.583
   84   2HH1  ARG  15          2HH1      ARG  15   3.161   2.831 -11.227
   85   1HH2  ARG  15          1HH2      ARG  15   1.877   5.861 -12.562
   86   2HH2  ARG  15          2HH2      ARG  15   2.470   4.275 -12.939
   87    H    LYS  16           H        LYS  16   0.351   5.617  -4.741
   88    HA   LYS  16           HA       LYS  16  -2.285   6.416  -5.512
   89   2HB   LYS  16          2HB       LYS  16  -1.736   4.520  -3.204
   90   2HG   LYS  16          2HG       LYS  16  -3.363   3.110  -4.361
   91   2HD   LYS  16          2HD       LYS  16  -4.518   5.929  -4.159
   92   2HE   LYS  16          2HE       LYS  16  -6.074   4.390  -5.213
   93   1HZ   LYS  16          1HZ       LYS  16  -7.006   2.628  -3.879
   94   2HZ   LYS  16          2HZ       LYS  16  -5.421   2.323  -4.184
   95   3HZ   LYS  16          3HZ       LYS  16  -5.888   2.858  -2.697
   96    H    CYS  17           H        CYS  17  -0.465   6.623  -2.388
   97    HA   CYS  17           HA       CYS  17  -2.569   8.463  -1.332
   98   2HB   CYS  17          2HB       CYS  17  -1.086   6.194   0.001
   99    HA   PRO  18           HA       PRO  18   1.048  11.085  -0.887
  100   2HB   PRO  18          2HB       PRO  18  -0.486  12.797  -1.343
  101   2HG   PRO  18          2HG       PRO  18  -2.647  12.864  -0.273
  102   2HD   PRO  18          2HD       PRO  18  -2.514  10.830  -1.487
  103    H    GLY  19           H        GLY  19   1.992  12.490   1.079
  104   1HA   GLY  19          1HA       GLY  19   3.004  12.423   3.146
  105   2HA   GLY  19          2HA       GLY  19   1.644  11.462   3.757
  106    H    ASN  20           H        ASN  20   3.819  10.837   1.055
  107    HA   ASN  20           HA       ASN  20   4.383   8.649   0.389
  108   2HB   ASN  20          2HB       ASN  20   6.809   8.694   0.743
  109   1HD2  ASN  20          1HD2      ASN  20   8.217  10.239  -0.360
  110   2HD2  ASN  20          2HD2      ASN  20   7.501  11.570  -1.254
  111    HA   PRO  21           HA       PRO  21   3.875   6.410   4.340
  112   2HB   PRO  21          2HB       PRO  21   1.704   5.704   4.485
  113   2HG   PRO  21          2HG       PRO  21   1.034   7.511   3.190
  114   2HD   PRO  21          2HD       PRO  21   2.226   8.158   1.280
  115    HA   PRO  22           HA       PRO  22   6.353   2.887   2.919
  116   2HB   PRO  22          2HB       PRO  22   7.248   2.979   5.082
  117   2HG   PRO  22          2HG       PRO  22   5.845   3.218   7.019
  118   2HD   PRO  22          2HD       PRO  22   5.407   5.101   5.659
  119    H    CYS  23           H        CYS  23   6.110   0.267   3.224
  120    HA   CYS  23           HA       CYS  23   3.255  -0.451   2.793
  121   2HB   CYS  23          2HB       CYS  23   3.895  -2.020   1.086
  122    H    ARG  24           H        ARG  24   2.717  -2.574   3.363
  123    HA   ARG  24           HA       ARG  24   4.708  -4.150   4.930
  124   2HB   ARG  24          2HB       ARG  24   1.834  -3.534   5.745
  125   2HG   ARG  24          2HG       ARG  24   4.033  -5.140   7.130
  126   2HD   ARG  24          2HD       ARG  24   1.183  -4.465   7.975
  127    HE   ARG  24           HE       ARG  24   2.828  -6.634   8.780
  128   1HH1  ARG  24          1HH1      ARG  24   0.937  -4.040  10.223
  129   2HH1  ARG  24          2HH1      ARG  24   0.567  -4.887  11.693
  130   1HH2  ARG  24          1HH2      ARG  24   2.365  -7.812  10.722
  131   2HH2  ARG  24          2HH2      ARG  24   1.412  -7.096  11.975
  132    H    ASN  25           H        ASN  25   4.831  -6.103   3.964
  133    HA   ASN  25           HA       ASN  25   4.388  -7.869   2.622
  134   2HB   ASN  25          2HB       ASN  25   1.581  -7.827   3.788
  135   1HD2  ASN  25          1HD2      ASN  25   1.596  -9.285   1.631
  136   2HD2  ASN  25          2HD2      ASN  25   1.990 -10.980   1.933
  137    H    GLY  26           H        GLY  26   4.153  -5.492   1.189
  138   1HA   GLY  26          1HA       GLY  26   3.426  -4.717  -0.836
  139   2HA   GLY  26          2HA       GLY  26   2.735  -6.316  -1.135
  140    H    PHE  27           H        PHE  27   1.712  -4.337   1.650
  141    HA   PHE  27           HA       PHE  27  -0.612  -3.260   0.134
  142   2HB   PHE  27          2HB       PHE  27  -1.855  -3.303   2.266
  143    HD1  PHE  27           HD1      PHE  27  -0.221  -6.583   2.538
  144    HD2  PHE  27           HD2      PHE  27  -3.205  -4.317   0.418
  145    HE1  PHE  27           HE1      PHE  27  -1.112  -8.677   1.550
  146    HE2  PHE  27           HE2      PHE  27  -4.119  -6.405  -0.545
  147    HZ   PHE  27           HZ       PHE  27  -3.066  -8.596   0.009
  148    H    CYS  28           H        CYS  28  -1.063  -1.126   0.491
  149    HA   CYS  28           HA       CYS  28   1.292   0.482   1.169
  150   2HB   CYS  28          2HB       CYS  28  -1.485   1.088   0.087
  151    H    ALA  29           H        ALA  29   1.625   1.401   3.194
  152    HA   ALA  29           HA       ALA  29  -0.477   1.087   5.211
  153   1HB   ALA  29          1HB       ALA  29   1.227   1.804   6.767
  154   2HB   ALA  29          2HB       ALA  29   1.923   0.604   5.657
  155   3HB   ALA  29          3HB       ALA  29   2.279   2.335   5.442
  156    H    CYS  30           H        CYS  30  -1.542   2.721   3.347
  157    HA   CYS  30           HA       CYS  30  -1.112   5.553   3.758
  158   2HB   CYS  30          2HB       CYS  30  -3.522   4.016   2.701
  159    H    THR  31           H        THR  31  -3.743   3.311   4.783
  160    HA   THR  31           HA       THR  31  -5.109   5.049   6.476
  161    HB   THR  31           HB       THR  31  -4.810   2.023   6.777
  162    HG1  THR  31           HG1      THR  31  -6.397   3.475   4.936
  163   1HG2  THR  31          1HG2      THR  31  -7.224   2.133   7.311
  164   2HG2  THR  31          2HG2      THR  31  -6.282   3.104   8.457
  165   3HG2  THR  31          3HG2      THR  31  -7.198   3.902   7.158
  Start of MODEL   11
    1   1H    THR   1          1H        THR   1  -9.909  -9.195   4.292
    2    HA   THR   1           HA       THR   1  -8.722  -7.152   6.020
    3    HB   THR   1           HB       THR   1  -7.105  -8.252   3.689
    4    HG1  THR   1           HG1      THR   1  -7.347  -9.571   5.651
    5   1HG2  THR   1          1HG2      THR   1  -6.343  -6.324   5.928
    6   2HG2  THR   1          2HG2      THR   1  -5.300  -6.865   4.601
    7   3HG2  THR   1          3HG2      THR   1  -6.687  -5.812   4.261
    8    HA   PRO   2           HA       PRO   2 -11.339  -5.833   2.384
    9   2HB   PRO   2          2HB       PRO   2 -13.244  -6.301   3.623
   10   2HG   PRO   2          2HG       PRO   2 -13.364  -5.844   5.985
   11   2HD   PRO   2          2HD       PRO   2 -11.586  -7.370   5.634
   12    H    PHE   3           H        PHE   3  -8.940  -4.703   2.929
   13    HA   PHE   3           HA       PHE   3  -9.242  -2.006   1.953
   14   2HB   PHE   3          2HB       PHE   3  -9.575  -1.395   4.226
   15    HD1  PHE   3           HD1      PHE   3 -10.109  -3.037   5.917
   16    HD2  PHE   3           HD2      PHE   3  -6.011  -2.345   4.760
   17    HE1  PHE   3           HE1      PHE   3  -9.333  -4.346   7.874
   18    HE2  PHE   3           HE2      PHE   3  -5.244  -3.655   6.718
   19    HZ   PHE   3           HZ       PHE   3  -6.902  -4.662   8.278
   20    H    ALA   4           H        ALA   4  -7.974  -4.779   1.467
   21    HA   ALA   4           HA       ALA   4  -5.113  -4.405   1.676
   22   1HB   ALA   4          1HB       ALA   4  -6.132  -6.605   1.853
   23   2HB   ALA   4          2HB       ALA   4  -6.847  -6.455   0.237
   24   3HB   ALA   4          3HB       ALA   4  -5.086  -6.556   0.427
   25    H    ILE   5           H        ILE   5  -5.310  -2.222   0.578
   26    HA   ILE   5           HA       ILE   5  -5.503  -2.127  -2.333
   27    HB   ILE   5           HB       ILE   5  -4.434  -0.156  -0.273
   28   2HG1  ILE   5          2HG1      ILE   5  -6.884  -0.703  -0.119
   29   1HG2  ILE   5          1HG2      ILE   5  -5.048   0.279  -3.233
   30   2HG2  ILE   5          2HG2      ILE   5  -4.537   1.528  -2.080
   31   3HG2  ILE   5          3HG2      ILE   5  -3.422   0.247  -2.518
   32   1HD1  ILE   5          1HD1      ILE   5  -7.740   1.513  -0.095
   33   2HD1  ILE   5          2HD1      ILE   5  -6.051   1.592   0.442
   34   3HD1  ILE   5          3HD1      ILE   5  -6.497   2.104  -1.204
   35    H    LYS   6           H        LYS   6  -3.933  -2.948  -3.634
   36    HA   LYS   6           HA       LYS   6  -1.642  -4.180  -2.526
   37   2HB   LYS   6          2HB       LYS   6  -1.034  -4.456  -5.044
   38   2HG   LYS   6          2HG       LYS   6  -1.983  -6.306  -3.841
   39   2HD   LYS   6          2HD       LYS   6  -4.658  -4.918  -4.320
   40   2HE   LYS   6          2HE       LYS   6  -4.122  -7.628  -3.025
   41   1HZ   LYS   6          1HZ       LYS   6  -5.943  -6.146  -2.174
   42   2HZ   LYS   6          2HZ       LYS   6  -6.709  -6.359  -3.602
   43   3HZ   LYS   6          3HZ       LYS   6  -6.417  -7.666  -2.645
   44    H    CYS   7           H        CYS   7   0.534  -3.814  -2.665
   45    HA   CYS   7           HA       CYS   7   1.620  -1.313  -3.807
   46   2HB   CYS   7          2HB       CYS   7   1.724  -2.115  -0.863
   47    H    ALA   8           H        ALA   8   3.578  -1.856  -4.764
   48    HA   ALA   8           HA       ALA   8   5.001  -4.319  -3.790
   49   1HB   ALA   8          1HB       ALA   8   4.917  -3.037  -6.555
   50   2HB   ALA   8          2HB       ALA   8   5.896  -4.443  -6.077
   51   3HB   ALA   8          3HB       ALA   8   4.123  -4.549  -6.073
   52    H    THR   9           H        THR   9   5.334  -1.075  -5.197
   53    HA   THR   9           HA       THR   9   8.134  -0.769  -4.197
   54    HB   THR   9           HB       THR   9   8.037   1.279  -5.608
   55    HG1  THR   9           HG1      THR   9   5.379   0.358  -6.188
   56   1HG2  THR   9          1HG2      THR   9   8.785  -0.866  -6.623
   57   2HG2  THR   9          2HG2      THR   9   7.117  -1.196  -7.143
   58   3HG2  THR   9          3HG2      THR   9   7.990   0.201  -7.798
   59    H    ASP  10           H        ASP  10   8.557   1.357  -2.881
   60    HA   ASP  10           HA       ASP  10   6.351   1.953  -1.088
   61   2HB   ASP  10          2HB       ASP  10   8.864   2.318  -0.605
   62    H    ALA  11           H        ALA  11   7.872   3.564  -3.844
   63    HA   ALA  11           HA       ALA  11   6.423   5.606  -4.603
   64   1HB   ALA  11          1HB       ALA  11   7.044   3.365  -6.549
   65   2HB   ALA  11          2HB       ALA  11   6.765   5.070  -6.943
   66   3HB   ALA  11          3HB       ALA  11   8.178   4.605  -5.975
   67    H    ASP  12           H        ASP  12   5.060   2.300  -5.213
   68    HA   ASP  12           HA       ASP  12   2.570   2.820  -6.300
   69   2HB   ASP  12          2HB       ASP  12   1.756   1.125  -4.386
   70    H    CYS  13           H        CYS  13   3.370   2.900  -2.855
   71    HA   CYS  13           HA       CYS  13   0.689   3.774  -2.128
   72   2HB   CYS  13          2HB       CYS  13   3.161   3.242  -0.448
   73    H    SER  14           H        SER  14   3.991   5.091  -2.090
   74    HA   SER  14           HA       SER  14   3.258   7.812  -1.392
   75   2HB   SER  14          2HB       SER  14   5.756   6.795  -2.803
   76    HG   SER  14           HG       SER  14   6.645   8.637  -1.823
   77    H    ARG  15           H        ARG  15   1.435   7.291  -3.133
   78    HA   ARG  15           HA       ARG  15   1.583   9.137  -5.239
   79   2HB   ARG  15          2HB       ARG  15   1.822   6.240  -6.212
   80   2HG   ARG  15          2HG       ARG  15   2.300   7.536  -8.392
   81   2HD   ARG  15          2HD       ARG  15  -0.625   7.708  -7.591
   82    HE   ARG  15           HE       ARG  15  -0.693   8.079  -9.823
   83   1HH1  ARG  15          1HH1      ARG  15   1.687   5.561  -9.213
   84   2HH1  ARG  15          2HH1      ARG  15   1.913   5.117 -10.877
   85   1HH2  ARG  15          1HH2      ARG  15  -0.401   7.561 -12.067
   86   2HH2  ARG  15          2HH2      ARG  15   0.702   6.313 -12.541
   87    H    LYS  16           H        LYS  16   0.245   5.878  -4.418
   88    HA   LYS  16           HA       LYS  16  -2.496   6.634  -4.934
   89   2HB   LYS  16          2HB       LYS  16  -2.925   4.587  -3.399
   90   2HG   LYS  16          2HG       LYS  16  -1.381   4.499  -6.016
   91   2HD   LYS  16          2HD       LYS  16  -2.653   2.264  -6.269
   92   2HE   LYS  16          2HE       LYS  16  -0.298   2.195  -4.346
   93   1HZ   LYS  16          1HZ       LYS  16  -0.916  -0.001  -4.925
   94   2HZ   LYS  16          2HZ       LYS  16  -1.162   0.385  -6.515
   95   3HZ   LYS  16          3HZ       LYS  16   0.339   0.368  -5.910
   96    H    CYS  17           H        CYS  17  -0.362   7.202  -2.142
   97    HA   CYS  17           HA       CYS  17  -2.450   8.898  -0.965
   98   2HB   CYS  17          2HB       CYS  17  -1.306   6.391   0.279
   99    HA   PRO  18           HA       PRO  18   1.310  11.179  -0.585
  100   2HB   PRO  18          2HB       PRO  18  -0.090  13.020  -0.845
  101   2HG   PRO  18          2HG       PRO  18  -2.143  13.220   0.412
  102   2HD   PRO  18          2HD       PRO  18  -2.235  11.222  -0.869
  103    H    GLY  19           H        GLY  19   2.795  12.232   1.014
  104   1HA   GLY  19          1HA       GLY  19   3.820  12.476   3.076
  105   2HA   GLY  19          2HA       GLY  19   2.608  11.443   3.841
  106    H    ASN  20           H        ASN  20   4.336  10.493   0.950
  107    HA   ASN  20           HA       ASN  20   5.157   8.500   0.468
  108   2HB   ASN  20          2HB       ASN  20   7.472   9.163   2.301
  109   1HD2  ASN  20          1HD2      ASN  20   7.500   6.627   1.524
  110   2HD2  ASN  20          2HD2      ASN  20   8.326   6.352  -0.035
  111    HA   PRO  21           HA       PRO  21   4.100   5.954   4.229
  112   2HB   PRO  21          2HB       PRO  21   1.826   6.265   4.174
  113   2HG   PRO  21          2HG       PRO  21   0.728   7.024   2.171
  114   2HD   PRO  21          2HD       PRO  21   2.456   8.507   2.749
  115    HA   PRO  22           HA       PRO  22   6.021   2.862   1.502
  116   2HB   PRO  22          2HB       PRO  22   7.512   2.746   3.332
  117   2HG   PRO  22          2HG       PRO  22   6.698   2.508   5.597
  118   2HD   PRO  22          2HD       PRO  22   5.891   4.565   4.771
  119    H    CYS  23           H        CYS  23   5.925   0.274   1.393
  120    HA   CYS  23           HA       CYS  23   3.116  -0.612   1.490
  121   2HB   CYS  23          2HB       CYS  23   3.869  -2.707   0.697
  122    H    ARG  24           H        ARG  24   2.278  -1.490   3.307
  123    HA   ARG  24           HA       ARG  24   3.939  -2.892   5.317
  124   2HB   ARG  24          2HB       ARG  24   0.930  -2.914   4.817
  125   2HG   ARG  24          2HG       ARG  24   2.672  -3.973   7.098
  126   2HD   ARG  24          2HD       ARG  24  -0.357  -3.900   6.783
  127    HE   ARG  24           HE       ARG  24   1.224  -5.700   8.263
  128   1HH1  ARG  24          1HH1      ARG  24  -1.414  -3.448   8.851
  129   2HH1  ARG  24          2HH1      ARG  24  -2.087  -4.313  10.199
  130   1HH2  ARG  24          1HH2      ARG  24   0.370  -6.897  10.052
  131   2HH2  ARG  24          2HH2      ARG  24  -1.037  -6.336  10.892
  132    H    ASN  25           H        ASN  25   5.163  -3.886   3.651
  133    HA   ASN  25           HA       ASN  25   5.534  -5.271   1.786
  134   2HB   ASN  25          2HB       ASN  25   5.851  -7.517   2.795
  135   1HD2  ASN  25          1HD2      ASN  25   7.660  -7.955   4.300
  136   2HD2  ASN  25          2HD2      ASN  25   8.687  -6.607   4.757
  137    H    GLY  26           H        GLY  26   3.610  -4.800   0.448
  138   1HA   GLY  26          1HA       GLY  26   2.444  -6.418  -1.062
  139   2HA   GLY  26          2HA       GLY  26   1.634  -7.061   0.374
  140    H    PHE  27           H        PHE  27   1.253  -4.507   1.745
  141    HA   PHE  27           HA       PHE  27  -0.833  -3.347  -0.046
  142   2HB   PHE  27          2HB       PHE  27  -2.355  -3.281   1.819
  143    HD1  PHE  27           HD1      PHE  27  -1.427  -6.023   3.680
  144    HD2  PHE  27           HD2      PHE  27  -2.353  -5.058  -0.419
  145    HE1  PHE  27           HE1      PHE  27  -1.860  -8.411   3.212
  146    HE2  PHE  27           HE2      PHE  27  -2.638  -7.469  -0.911
  147    HZ   PHE  27           HZ       PHE  27  -2.439  -9.147   0.912
  148    H    CYS  28           H        CYS  28  -1.306  -1.184   0.102
  149    HA   CYS  28           HA       CYS  28   0.911   0.506   0.775
  150   2HB   CYS  28          2HB       CYS  28  -1.942   1.013  -0.119
  151    H    ALA  29           H        ALA  29   1.504   1.257   2.771
  152    HA   ALA  29           HA       ALA  29  -0.380   1.032   5.012
  153   1HB   ALA  29          1HB       ALA  29   2.487   2.045   4.942
  154   2HB   ALA  29          2HB       ALA  29   1.540   1.605   6.376
  155   3HB   ALA  29          3HB       ALA  29   2.002   0.358   5.202
  156    H    CYS  30           H        CYS  30  -1.649   2.738   3.464
  157    HA   CYS  30           HA       CYS  30  -0.918   5.535   3.819
  158   2HB   CYS  30          2HB       CYS  30  -3.576   4.274   3.099
  159    H    THR  31           H        THR  31  -0.466   5.188   6.173
  160    HA   THR  31           HA       THR  31  -2.423   4.691   8.103
  161    HB   THR  31           HB       THR  31  -0.030   4.731   8.571
  162    HG1  THR  31           HG1      THR  31  -1.503   5.110  10.288
  163   1HG2  THR  31          1HG2      THR  31   0.685   6.689   7.215
  164   2HG2  THR  31          2HG2      THR  31  -0.183   7.772   8.329
  165   3HG2  THR  31          3HG2      THR  31   1.199   6.828   8.903
  Start of MODEL   12
    1   1H    THR   1          1H        THR   1  -9.284  -8.350  -0.184
    2    HA   THR   1           HA       THR   1 -11.401  -8.033   1.746
    3    HB   THR   1           HB       THR   1  -8.484  -7.644   2.563
    4    HG1  THR   1           HG1      THR   1  -9.429  -9.809   2.463
    5   1HG2  THR   1          1HG2      THR   1  -9.970  -5.969   3.651
    6   2HG2  THR   1          2HG2      THR   1 -11.022  -7.291   4.221
    7   3HG2  THR   1          3HG2      THR   1  -9.356  -7.162   4.809
    8    HA   PRO   2           HA       PRO   2 -11.192  -4.389  -0.815
    9   2HB   PRO   2          2HB       PRO   2 -13.357  -3.869  -0.296
   10   2HG   PRO   2          2HG       PRO   2 -14.267  -4.382   1.852
   11   2HD   PRO   2          2HD       PRO   2 -13.220  -6.374   1.040
   12    H    PHE   3           H        PHE   3 -10.510  -3.931   2.660
   13    HA   PHE   3           HA       PHE   3  -9.000  -1.575   2.456
   14   2HB   PHE   3          2HB       PHE   3  -8.313  -2.024   4.684
   15    HD1  PHE   3           HD1      PHE   3 -10.193  -4.674   5.789
   16    HD2  PHE   3           HD2      PHE   3 -10.777  -0.809   3.948
   17    HE1  PHE   3           HE1      PHE   3 -12.559  -4.685   6.502
   18    HE2  PHE   3           HE2      PHE   3 -13.136  -0.818   4.699
   19    HZ   PHE   3           HZ       PHE   3 -14.038  -2.763   5.958
   20    H    ALA   4           H        ALA   4  -8.090  -4.759   1.340
   21    HA   ALA   4           HA       ALA   4  -5.231  -4.438   1.880
   22   1HB   ALA   4          1HB       ALA   4  -5.025  -6.578   0.751
   23   2HB   ALA   4          2HB       ALA   4  -6.322  -6.643   1.954
   24   3HB   ALA   4          3HB       ALA   4  -6.711  -6.513   0.222
   25    H    ILE   5           H        ILE   5  -5.552  -2.206   0.727
   26    HA   ILE   5           HA       ILE   5  -5.410  -2.133  -2.161
   27    HB   ILE   5           HB       ILE   5  -4.349  -0.204  -0.052
   28   2HG1  ILE   5          2HG1      ILE   5  -6.813  -0.574   0.047
   29   1HG2  ILE   5          1HG2      ILE   5  -4.840   0.234  -3.033
   30   2HG2  ILE   5          2HG2      ILE   5  -4.257   1.451  -1.875
   31   3HG2  ILE   5          3HG2      ILE   5  -3.239   0.080  -2.282
   32   1HD1  ILE   5          1HD1      ILE   5  -5.882   1.713   0.479
   33   2HD1  ILE   5          2HD1      ILE   5  -6.275   2.137  -1.206
   34   3HD1  ILE   5          3HD1      ILE   5  -7.563   1.673  -0.088
   35    H    LYS   6           H        LYS   6  -3.784  -3.075  -3.319
   36    HA   LYS   6           HA       LYS   6  -1.538  -4.241  -1.995
   37   2HB   LYS   6          2HB       LYS   6  -0.879  -4.435  -4.638
   38   2HG   LYS   6          2HG       LYS   6  -1.164  -6.293  -3.118
   39   2HD   LYS   6          2HD       LYS   6  -3.329  -5.830  -2.094
   40   2HE   LYS   6          2HE       LYS   6  -4.682  -4.961  -3.945
   41   1HZ   LYS   6          1HZ       LYS   6  -5.523  -6.482  -5.587
   42   2HZ   LYS   6          2HZ       LYS   6  -3.889  -6.370  -5.718
   43   3HZ   LYS   6          3HZ       LYS   6  -4.573  -7.701  -5.026
   44    H    CYS   7           H        CYS   7   0.702  -3.962  -2.441
   45    HA   CYS   7           HA       CYS   7   1.738  -1.496  -3.657
   46   2HB   CYS   7          2HB       CYS   7   1.990  -2.120  -0.673
   47    H    ALA   8           H        ALA   8   3.643  -2.183  -4.703
   48    HA   ALA   8           HA       ALA   8   4.918  -4.719  -3.726
   49   1HB   ALA   8          1HB       ALA   8   5.952  -4.770  -5.939
   50   2HB   ALA   8          2HB       ALA   8   4.183  -4.720  -6.074
   51   3HB   ALA   8          3HB       ALA   8   5.141  -3.258  -6.389
   52    H    THR   9           H        THR   9   5.396  -1.343  -4.645
   53    HA   THR   9           HA       THR   9   8.090  -1.226  -3.357
   54    HB   THR   9           HB       THR   9   8.526   0.531  -5.077
   55    HG1  THR   9           HG1      THR   9   5.939  -0.264  -6.009
   56   1HG2  THR   9          1HG2      THR   9   7.713  -2.132  -6.335
   57   2HG2  THR   9          2HG2      THR   9   8.861  -0.948  -6.986
   58   3HG2  THR   9          3HG2      THR   9   9.245  -1.818  -5.487
   59    H    ASP  10           H        ASP  10   8.452   0.647  -2.118
   60    HA   ASP  10           HA       ASP  10   6.546   2.079  -0.697
   61   2HB   ASP  10          2HB       ASP  10   8.835   2.311  -0.130
   62    H    ALA  11           H        ALA  11   8.140   3.261  -3.682
   63    HA   ALA  11           HA       ALA  11   6.742   5.268  -4.590
   64   1HB   ALA  11          1HB       ALA  11   7.345   2.829  -6.300
   65   2HB   ALA  11          2HB       ALA  11   7.089   4.485  -6.886
   66   3HB   ALA  11          3HB       ALA  11   8.490   4.113  -5.857
   67    H    ASP  12           H        ASP  12   5.236   1.943  -4.843
   68    HA   ASP  12           HA       ASP  12   2.979   2.750  -6.389
   69   2HB   ASP  12          2HB       ASP  12   1.806   0.819  -5.301
   70    H    CYS  13           H        CYS  13   3.398   2.399  -2.880
   71    HA   CYS  13           HA       CYS  13   0.749   3.361  -2.263
   72   2HB   CYS  13          2HB       CYS  13   3.174   2.975  -0.479
   73    H    SER  14           H        SER  14   4.007   4.754  -2.083
   74    HA   SER  14           HA       SER  14   3.180   7.468  -1.475
   75   2HB   SER  14          2HB       SER  14   5.798   6.337  -2.551
   76    HG   SER  14           HG       SER  14   5.530   8.577  -2.806
   77    H    ARG  15           H        ARG  15   1.587   6.742  -3.465
   78    HA   ARG  15           HA       ARG  15   1.928   8.701  -5.477
   79   2HB   ARG  15          2HB       ARG  15   2.253   5.818  -6.469
   80   2HG   ARG  15          2HG       ARG  15   2.802   7.294  -8.609
   81   2HD   ARG  15          2HD       ARG  15  -0.008   6.444  -7.752
   82    HE   ARG  15           HE       ARG  15   0.511   6.899 -10.560
   83   1HH1  ARG  15          1HH1      ARG  15  -0.713   8.500  -7.599
   84   2HH1  ARG  15          2HH1      ARG  15  -1.664   9.649  -8.468
   85   1HH2  ARG  15          1HH2      ARG  15  -0.758   8.447 -11.691
   86   2HH2  ARG  15          2HH2      ARG  15  -1.692   9.625 -10.831
   87    H    LYS  16           H        LYS  16   0.423   5.578  -4.536
   88    HA   LYS  16           HA       LYS  16  -2.265   6.269  -5.307
   89   2HB   LYS  16          2HB       LYS  16  -2.810   4.683  -3.341
   90   2HG   LYS  16          2HG       LYS  16  -1.619   2.658  -4.397
   91   2HD   LYS  16          2HD       LYS  16  -2.753   2.769  -6.597
   92   2HE   LYS  16          2HE       LYS  16  -4.541   3.801  -4.332
   93   1HZ   LYS  16          1HZ       LYS  16  -5.184   2.129  -6.659
   94   2HZ   LYS  16          2HZ       LYS  16  -6.204   2.533  -5.434
   95   3HZ   LYS  16          3HZ       LYS  16  -5.639   3.698  -6.445
   96    H    CYS  17           H        CYS  17  -0.322   6.922  -2.350
   97    HA   CYS  17           HA       CYS  17  -2.353   8.880  -1.425
   98   2HB   CYS  17          2HB       CYS  17  -1.319   6.386  -0.065
   99    HA   PRO  18           HA       PRO  18   1.486  11.032  -1.018
  100   2HB   PRO  18          2HB       PRO  18   0.141  12.878  -1.518
  101   2HG   PRO  18          2HG       PRO  18  -1.947  13.256  -0.359
  102   2HD   PRO  18          2HD       PRO  18  -2.068  11.163  -1.469
  103    H    GLY  19           H        GLY  19   2.861  12.243   0.612
  104   1HA   GLY  19          1HA       GLY  19   3.761  12.604   2.707
  105   2HA   GLY  19          2HA       GLY  19   2.455  11.683   3.461
  106    H    ASN  20           H        ASN  20   4.411  10.472   0.802
  107    HA   ASN  20           HA       ASN  20   5.314   8.451   0.537
  108   2HB   ASN  20          2HB       ASN  20   7.227   9.504   2.630
  109   1HD2  ASN  20          1HD2      ASN  20   9.556   8.969   1.900
  110   2HD2  ASN  20          2HD2      ASN  20   9.796   7.376   1.199
  111    HA   PRO  21           HA       PRO  21   3.789   5.996   4.162
  112   2HB   PRO  21          2HB       PRO  21   1.547   6.396   3.847
  113   2HG   PRO  21          2HG       PRO  21   0.679   7.060   1.702
  114   2HD   PRO  21          2HD       PRO  21   2.357   8.560   2.352
  115    HA   PRO  22           HA       PRO  22   6.005   2.976   1.565
  116   2HB   PRO  22          2HB       PRO  22   7.461   2.974   3.413
  117   2HG   PRO  22          2HG       PRO  22   6.624   2.787   5.673
  118   2HD   PRO  22          2HD       PRO  22   5.738   4.775   4.750
  119    H    CYS  23           H        CYS  23   6.038   0.406   1.457
  120    HA   CYS  23           HA       CYS  23   3.293  -0.634   1.496
  121   2HB   CYS  23          2HB       CYS  23   4.194  -2.726   0.833
  122    H    ARG  24           H        ARG  24   2.423  -1.323   3.375
  123    HA   ARG  24           HA       ARG  24   3.988  -2.693   5.478
  124   2HB   ARG  24          2HB       ARG  24   0.999  -2.662   4.872
  125   2HG   ARG  24          2HG       ARG  24   2.605  -3.703   7.258
  126   2HD   ARG  24          2HD       ARG  24  -0.399  -3.603   6.754
  127    HE   ARG  24           HE       ARG  24   1.065  -5.399   8.359
  128   1HH1  ARG  24          1HH1      ARG  24  -1.602  -3.137   8.720
  129   2HH1  ARG  24          2HH1      ARG  24  -2.382  -3.988  10.020
  130   1HH2  ARG  24          1HH2      ARG  24   0.070  -6.581  10.083
  131   2HH2  ARG  24          2HH2      ARG  24  -1.395  -6.007  10.808
  132    H    ASN  25           H        ASN  25   5.223  -3.746   3.840
  133    HA   ASN  25           HA       ASN  25   5.649  -5.285   2.141
  134   2HB   ASN  25          2HB       ASN  25   4.835  -6.849   4.613
  135   1HD2  ASN  25          1HD2      ASN  25   7.130  -6.868   1.760
  136   2HD2  ASN  25          2HD2      ASN  25   7.084  -8.612   1.612
  137    H    GLY  26           H        GLY  26   4.009  -4.941   0.531
  138   1HA   GLY  26          1HA       GLY  26   2.811  -6.377  -0.983
  139   2HA   GLY  26          2HA       GLY  26   1.999  -7.161   0.369
  140    H    PHE  27           H        PHE  27   1.644  -4.452   1.767
  141    HA   PHE  27           HA       PHE  27  -0.659  -3.521   0.126
  142   2HB   PHE  27          2HB       PHE  27  -2.004  -3.566   2.125
  143    HD1  PHE  27           HD1      PHE  27  -2.764  -5.256   0.346
  144    HD2  PHE  27           HD2      PHE  27   0.213  -6.243   3.300
  145    HE1  PHE  27           HE1      PHE  27  -2.978  -7.670  -0.227
  146    HE2  PHE  27           HE2      PHE  27   0.037  -8.626   2.690
  147    HZ   PHE  27           HZ       PHE  27  -1.570  -9.352   0.933
  148    H    CYS  28           H        CYS  28  -1.241  -1.354   0.283
  149    HA   CYS  28           HA       CYS  28   0.958   0.431   0.831
  150   2HB   CYS  28          2HB       CYS  28  -1.908   0.812  -0.094
  151    H    ALA  29           H        ALA  29   1.501   1.264   2.815
  152    HA   ALA  29           HA       ALA  29  -0.468   1.218   5.004
  153   1HB   ALA  29          1HB       ALA  29   1.412   1.889   6.380
  154   2HB   ALA  29          2HB       ALA  29   1.908   0.553   5.324
  155   3HB   ALA  29          3HB       ALA  29   2.404   2.212   4.946
  156    H    CYS  30           H        CYS  30  -1.601   2.827   3.176
  157    HA   CYS  30           HA       CYS  30  -0.821   5.586   3.201
  158   2HB   CYS  30          2HB       CYS  30  -3.546   4.306   2.843
  159    H    THR  31           H        THR  31  -1.461   7.340   4.525
  160    HA   THR  31           HA       THR  31  -2.036   6.934   7.285
  161    HB   THR  31           HB       THR  31  -2.620   9.433   7.050
  162    HG1  THR  31           HG1      THR  31  -3.291   9.146   4.845
  163   1HG2  THR  31          1HG2      THR  31   0.034   8.533   5.819
  164   2HG2  THR  31          2HG2      THR  31  -0.322  10.126   6.511
  165   3HG2  THR  31          3HG2      THR  31  -0.300   8.693   7.559
  Start of MODEL   13
    1   1H    THR   1          1H        THR   1  -8.209  -4.046  -3.645
    2    HA   THR   1           HA       THR   1  -9.353  -6.661  -3.316
    3    HB   THR   1           HB       THR   1  -7.721  -6.340  -1.203
    4    HG1  THR   1           HG1      THR   1  -6.449  -4.659  -1.347
    5   1HG2  THR   1          1HG2      THR   1  -7.281  -7.857  -3.111
    6   2HG2  THR   1          2HG2      THR   1  -6.688  -6.481  -4.068
    7   3HG2  THR   1          3HG2      THR   1  -5.815  -7.000  -2.608
    8    HA   PRO   2           HA       PRO   2 -12.438  -5.423  -0.360
    9   2HB   PRO   2          2HB       PRO   2 -13.101  -7.649  -0.454
   10   2HG   PRO   2          2HG       PRO   2 -11.510  -9.451  -0.306
   11   2HD   PRO   2          2HD       PRO   2 -10.902  -8.103  -2.164
   12    H    PHE   3           H        PHE   3 -10.800  -3.784   0.233
   13    HA   PHE   3           HA       PHE   3  -9.702  -2.499   1.720
   14   2HB   PHE   3          2HB       PHE   3  -9.964  -4.648   3.861
   15    HD1  PHE   3           HD1      PHE   3  -8.424  -4.193   5.581
   16    HD2  PHE   3           HD2      PHE   3 -10.286  -0.901   3.498
   17    HE1  PHE   3           HE1      PHE   3  -7.139  -2.585   6.960
   18    HE2  PHE   3           HE2      PHE   3  -8.989   0.699   4.876
   19    HZ   PHE   3           HZ       PHE   3  -7.405  -0.139   6.600
   20    H    ALA   4           H        ALA   4  -7.501  -2.970   3.236
   21    HA   ALA   4           HA       ALA   4  -5.279  -3.316   2.931
   22   1HB   ALA   4          1HB       ALA   4  -4.513  -5.594   2.525
   23   2HB   ALA   4          2HB       ALA   4  -5.874  -5.594   3.660
   24   3HB   ALA   4          3HB       ALA   4  -6.125  -6.086   1.973
   25    H    ILE   5           H        ILE   5  -5.688  -1.629   1.251
   26    HA   ILE   5           HA       ILE   5  -5.957  -2.176  -1.502
   27    HB   ILE   5           HB       ILE   5  -4.562   0.146  -0.105
   28   2HG1  ILE   5          2HG1      ILE   5  -6.949  -0.186   0.562
   29   1HG2  ILE   5          1HG2      ILE   5  -3.911   0.001  -2.500
   30   2HG2  ILE   5          2HG2      ILE   5  -5.625  -0.073  -2.961
   31   3HG2  ILE   5          3HG2      ILE   5  -4.944   1.388  -2.219
   32   1HD1  ILE   5          1HD1      ILE   5  -6.021   2.142   0.303
   33   2HD1  ILE   5          2HD1      ILE   5  -6.802   2.197  -1.299
   34   3HD1  ILE   5          3HD1      ILE   5  -7.782   1.982   0.152
   35    H    LYS   6           H        LYS   6  -4.555  -3.020  -2.987
   36    HA   LYS   6           HA       LYS   6  -2.087  -4.152  -2.221
   37   2HB   LYS   6          2HB       LYS   6  -1.731  -4.201  -4.828
   38   2HG   LYS   6          2HG       LYS   6  -4.078  -5.566  -4.972
   39   2HD   LYS   6          2HD       LYS   6  -1.911  -6.644  -5.332
   40   2HE   LYS   6          2HE       LYS   6  -1.061  -7.801  -3.050
   41   1HZ   LYS   6          1HZ       LYS   6   0.540  -6.661  -4.255
   42   2HZ   LYS   6          2HZ       LYS   6  -0.076  -5.167  -4.000
   43   3HZ   LYS   6          3HZ       LYS   6   0.549  -5.963  -2.762
   44    H    CYS   7           H        CYS   7  -0.028  -3.526  -2.257
   45    HA   CYS   7           HA       CYS   7   0.764  -0.963  -3.575
   46   2HB   CYS   7          2HB       CYS   7   2.088  -2.454  -1.257
   47    H    ALA   8           H        ALA   8   3.116  -1.282  -4.429
   48    HA   ALA   8           HA       ALA   8   3.809  -4.087  -5.045
   49   1HB   ALA   8          1HB       ALA   8   2.654  -3.465  -7.059
   50   2HB   ALA   8          2HB       ALA   8   3.531  -1.935  -7.177
   51   3HB   ALA   8          3HB       ALA   8   4.398  -3.472  -7.384
   52    H    THR   9           H        THR   9   5.092  -0.798  -5.982
   53    HA   THR   9           HA       THR   9   7.479  -1.404  -4.258
   54    HB   THR   9           HB       THR   9   8.543   0.459  -5.373
   55    HG1  THR   9           HG1      THR   9   6.127   0.639  -6.876
   56   1HG2  THR   9          1HG2      THR   9   7.331  -1.449  -7.430
   57   2HG2  THR   9          2HG2      THR   9   8.823  -0.506  -7.598
   58   3HG2  THR   9          3HG2      THR   9   8.733  -1.807  -6.393
   59    H    ASP  10           H        ASP  10   8.108   0.248  -2.721
   60    HA   ASP  10           HA       ASP  10   6.197   1.427  -1.052
   61   2HB   ASP  10          2HB       ASP  10   8.451   1.268  -0.315
   62    H    ALA  11           H        ALA  11   8.116   3.128  -3.561
   63    HA   ALA  11           HA       ALA  11   6.917   5.419  -4.038
   64   1HB   ALA  11          1HB       ALA  11   7.375   5.191  -6.413
   65   2HB   ALA  11          2HB       ALA  11   8.676   4.471  -5.444
   66   3HB   ALA  11          3HB       ALA  11   7.488   3.431  -6.254
   67    H    ASP  12           H        ASP  12   5.274   2.324  -5.067
   68    HA   ASP  12           HA       ASP  12   3.156   3.698  -6.414
   69   2HB   ASP  12          2HB       ASP  12   1.926   1.548  -6.267
   70    H    CYS  13           H        CYS  13   3.617   2.728  -3.034
   71    HA   CYS  13           HA       CYS  13   0.836   3.391  -2.348
   72   2HB   CYS  13          2HB       CYS  13   3.251   2.884  -0.582
   73    H    SER  14           H        SER  14   4.054   4.820  -2.025
   74    HA   SER  14           HA       SER  14   3.211   7.466  -1.172
   75   2HB   SER  14          2HB       SER  14   5.788   6.353  -2.344
   76    HG   SER  14           HG       SER  14   5.592   8.602  -2.573
   77    H    ARG  15           H        ARG  15   1.542   7.053  -3.106
   78    HA   ARG  15           HA       ARG  15   1.890   8.870  -5.301
   79   2HB   ARG  15          2HB       ARG  15   2.322   5.908  -5.750
   80   2HG   ARG  15          2HG       ARG  15   2.099   7.812  -8.060
   81   2HD   ARG  15          2HD       ARG  15   1.795   4.774  -7.819
   82    HE   ARG  15           HE       ARG  15   1.529   6.517 -10.031
   83   1HH1  ARG  15          1HH1      ARG  15   3.038   3.274  -9.246
   84   2HH1  ARG  15          2HH1      ARG  15   3.072   2.832 -10.884
   85   1HH2  ARG  15          1HH2      ARG  15   1.567   5.766 -12.189
   86   2HH2  ARG  15          2HH2      ARG  15   2.198   4.195 -12.568
   87    H    LYS  16           H        LYS  16   0.453   5.666  -4.416
   88    HA   LYS  16           HA       LYS  16  -2.208   6.275  -5.122
   89   2HB   LYS  16          2HB       LYS  16  -1.209   4.452  -2.880
   90   2HG   LYS  16          2HG       LYS  16  -3.211   3.076  -3.844
   91   2HD   LYS  16          2HD       LYS  16  -3.230   5.189  -1.761
   92   2HE   LYS  16          2HE       LYS  16  -5.606   4.951  -1.273
   93   1HZ   LYS  16          1HZ       LYS  16  -4.816   6.762  -2.822
   94   2HZ   LYS  16          2HZ       LYS  16  -5.464   5.910  -4.044
   95   3HZ   LYS  16          3HZ       LYS  16  -6.439   6.444  -2.833
   96    H    CYS  17           H        CYS  17  -0.372   7.015  -2.095
   97    HA   CYS  17           HA       CYS  17  -2.364   9.064  -1.461
   98   2HB   CYS  17          2HB       CYS  17  -3.367   7.209  -0.370
   99    HA   PRO  18           HA       PRO  18   1.369  11.058  -0.469
  100   2HB   PRO  18          2HB       PRO  18   0.023  12.949  -0.799
  101   2HG   PRO  18          2HG       PRO  18  -2.083  13.205   0.367
  102   2HD   PRO  18          2HD       PRO  18  -2.173  11.270  -0.993
  103    H    GLY  19           H        GLY  19   2.591  12.210   1.409
  104   1HA   GLY  19          1HA       GLY  19   3.402  12.270   3.575
  105   2HA   GLY  19          2HA       GLY  19   2.199  11.085   4.098
  106    H    ASN  20           H        ASN  20   4.014  10.365   1.244
  107    HA   ASN  20           HA       ASN  20   5.198   8.567   0.685
  108   2HB   ASN  20          2HB       ASN  20   7.494   8.521   1.570
  109   1HD2  ASN  20          1HD2      ASN  20   6.648   9.541  -0.720
  110   2HD2  ASN  20          2HD2      ASN  20   7.158  11.216  -0.884
  111    HA   PRO  21           HA       PRO  21   4.004   5.644   4.134
  112   2HB   PRO  21          2HB       PRO  21   1.737   5.974   4.108
  113   2HG   PRO  21          2HG       PRO  21   0.635   6.870   2.187
  114   2HD   PRO  21          2HD       PRO  21   2.333   8.299   2.785
  115    HA   PRO  22           HA       PRO  22   5.838   2.730   1.137
  116   2HB   PRO  22          2HB       PRO  22   7.454   2.657   2.861
  117   2HG   PRO  22          2HG       PRO  22   6.811   2.273   5.164
  118   2HD   PRO  22          2HD       PRO  22   5.846   4.309   4.491
  119    H    CYS  23           H        CYS  23   5.896   0.178   0.937
  120    HA   CYS  23           HA       CYS  23   3.182  -0.922   1.057
  121   2HB   CYS  23          2HB       CYS  23   4.110  -2.938   0.240
  122    H    ARG  24           H        ARG  24   2.481  -1.411   3.138
  123    HA   ARG  24           HA       ARG  24   4.181  -2.873   5.068
  124   2HB   ARG  24          2HB       ARG  24   1.163  -2.509   4.887
  125   2HG   ARG  24          2HG       ARG  24   2.908  -3.775   7.059
  126   2HD   ARG  24          2HD       ARG  24  -0.107  -3.435   6.821
  127    HE   ARG  24           HE       ARG  24   1.436  -5.366   8.265
  128   1HH1  ARG  24          1HH1      ARG  24  -1.310  -3.208   8.699
  129   2HH1  ARG  24          2HH1      ARG  24  -2.139  -4.205   9.855
  130   1HH2  ARG  24          1HH2      ARG  24   0.389  -6.726   9.813
  131   2HH2  ARG  24          2HH2      ARG  24  -1.126  -6.262  10.515
  132    H    ASN  25           H        ASN  25   5.077  -4.494   3.760
  133    HA   ASN  25           HA       ASN  25   5.190  -6.616   2.886
  134   2HB   ASN  25          2HB       ASN  25   3.727  -8.279   3.894
  135   1HD2  ASN  25          1HD2      ASN  25   6.032  -7.889   4.878
  136   2HD2  ASN  25          2HD2      ASN  25   6.035  -7.326   6.538
  137    H    GLY  26           H        GLY  26   4.230  -4.806   1.064
  138   1HA   GLY  26          1HA       GLY  26   3.458  -4.944  -1.116
  139   2HA   GLY  26          2HA       GLY  26   2.775  -6.536  -0.789
  140    H    PHE  27           H        PHE  27   1.683  -4.241   1.567
  141    HA   PHE  27           HA       PHE  27  -0.696  -3.467  -0.062
  142   2HB   PHE  27          2HB       PHE  27  -2.011  -3.681   1.983
  143    HD1  PHE  27           HD1      PHE  27   0.219  -6.535   2.641
  144    HD2  PHE  27           HD2      PHE  27  -2.932  -5.084   0.095
  145    HE1  PHE  27           HE1      PHE  27  -0.224  -8.844   1.875
  146    HE2  PHE  27           HE2      PHE  27  -3.500  -7.416  -0.538
  147    HZ   PHE  27           HZ       PHE  27  -2.114  -9.304   0.320
  148    H    CYS  28           H        CYS  28  -1.417  -1.342   0.236
  149    HA   CYS  28           HA       CYS  28   0.830   0.385   0.767
  150   2HB   CYS  28          2HB       CYS  28  -1.973   0.856  -0.266
  151    H    ALA  29           H        ALA  29   1.395   1.174   2.704
  152    HA   ALA  29           HA       ALA  29  -0.504   1.046   4.916
  153   1HB   ALA  29          1HB       ALA  29   1.460   1.523   6.267
  154   2HB   ALA  29          2HB       ALA  29   1.866   0.307   5.037
  155   3HB   ALA  29          3HB       ALA  29   2.387   1.983   4.821
  156    H    CYS  30           H        CYS  30  -1.694   2.903   3.351
  157    HA   CYS  30           HA       CYS  30  -0.848   5.556   3.435
  158   2HB   CYS  30          2HB       CYS  30  -3.220   6.260   3.405
  159    H    THR  31           H        THR  31  -2.525   3.801   6.014
  160    HA   THR  31           HA       THR  31  -1.650   5.856   7.976
  161    HB   THR  31           HB       THR  31  -3.851   6.601   7.535
  162    HG1  THR  31           HG1      THR  31  -3.898   4.867   9.772
  163   1HG2  THR  31          1HG2      THR  31  -5.859   5.159   7.665
  164   2HG2  THR  31          2HG2      THR  31  -4.829   4.735   6.294
  165   3HG2  THR  31          3HG2      THR  31  -4.832   3.717   7.753
  Start of MODEL   14
    1   1H    THR   1          1H        THR   1 -14.986  -9.234   2.307
    2    HA   THR   1           HA       THR   1 -14.122  -6.869   2.934
    3    HB   THR   1           HB       THR   1 -12.590  -9.395   3.679
    4    HG1  THR   1           HG1      THR   1 -14.378  -9.814   5.028
    5   1HG2  THR   1          1HG2      THR   1 -12.756  -8.430   5.985
    6   2HG2  THR   1          2HG2      THR   1 -11.821  -7.402   4.900
    7   3HG2  THR   1          3HG2      THR   1 -13.502  -6.969   5.307
    8    HA   PRO   2           HA       PRO   2 -10.614  -7.258  -0.192
    9   2HB   PRO   2          2HB       PRO   2 -12.117  -6.962  -1.956
   10   2HG   PRO   2          2HG       PRO   2 -13.898  -5.324  -1.838
   11   2HD   PRO   2          2HD       PRO   2 -14.199  -6.974  -0.180
   12    H    PHE   3           H        PHE   3 -10.309  -6.015   2.296
   13    HA   PHE   3           HA       PHE   3  -9.289  -3.261   1.888
   14   2HB   PHE   3          2HB       PHE   3  -8.607  -3.505   4.281
   15    HD1  PHE   3           HD1      PHE   3 -11.840  -5.331   3.915
   16    HD2  PHE   3           HD2      PHE   3  -9.941  -1.506   4.474
   17    HE1  PHE   3           HE1      PHE   3 -14.047  -4.309   4.410
   18    HE2  PHE   3           HE2      PHE   3 -12.143  -0.492   4.980
   19    HZ   PHE   3           HZ       PHE   3 -14.199  -1.888   4.946
   20    H    ALA   4           H        ALA   4  -8.066  -4.490   0.072
   21    HA   ALA   4           HA       ALA   4  -5.327  -5.264   1.005
   22   1HB   ALA   4          1HB       ALA   4  -6.659  -7.319   0.751
   23   2HB   ALA   4          2HB       ALA   4  -7.119  -6.839  -0.896
   24   3HB   ALA   4          3HB       ALA   4  -5.423  -7.211  -0.510
   25    H    ILE   5           H        ILE   5  -5.642  -2.830   0.221
   26    HA   ILE   5           HA       ILE   5  -5.309  -2.322  -2.616
   27    HB   ILE   5           HB       ILE   5  -4.467  -0.684  -0.183
   28   2HG1  ILE   5          2HG1      ILE   5  -6.914  -1.130  -0.221
   29   1HG2  ILE   5          1HG2      ILE   5  -3.302  -0.080  -2.343
   30   2HG2  ILE   5          2HG2      ILE   5  -4.892   0.189  -3.078
   31   3HG2  ILE   5          3HG2      ILE   5  -4.333   1.206  -1.732
   32   1HD1  ILE   5          1HD1      ILE   5  -7.716   1.097  -0.072
   33   2HD1  ILE   5          2HD1      ILE   5  -6.046   1.107   0.528
   34   3HD1  ILE   5          3HD1      ILE   5  -6.425   1.732  -1.097
   35    H    LYS   6           H        LYS   6  -3.540  -3.079  -3.707
   36    HA   LYS   6           HA       LYS   6  -1.412  -4.339  -2.195
   37   2HB   LYS   6          2HB       LYS   6  -0.682  -5.061  -4.531
   38   2HG   LYS   6          2HG       LYS   6  -3.302  -5.581  -3.161
   39   2HD   LYS   6          2HD       LYS   6  -2.441  -7.205  -5.562
   40   2HE   LYS   6          2HE       LYS   6  -3.943  -8.218  -3.785
   41   1HZ   LYS   6          1HZ       LYS   6  -6.211  -7.463  -3.733
   42   2HZ   LYS   6          2HZ       LYS   6  -5.270  -6.204  -3.262
   43   3HZ   LYS   6          3HZ       LYS   6  -5.900  -6.234  -4.774
   44    H    CYS   7           H        CYS   7   0.847  -4.069  -2.607
   45    HA   CYS   7           HA       CYS   7   1.856  -1.495  -3.611
   46   2HB   CYS   7          2HB       CYS   7   1.832  -2.203  -0.654
   47    H    ALA   8           H        ALA   8   3.607  -2.298  -4.693
   48    HA   ALA   8           HA       ALA   8   5.224  -4.511  -3.641
   49   1HB   ALA   8          1HB       ALA   8   5.656  -2.630  -6.003
   50   2HB   ALA   8          2HB       ALA   8   6.592  -4.093  -5.631
   51   3HB   ALA   8          3HB       ALA   8   4.875  -4.224  -6.063
   52    H    THR   9           H        THR   9   5.657  -0.949  -4.240
   53    HA   THR   9           HA       THR   9   7.806  -0.897  -2.171
   54    HB   THR   9           HB       THR   9   9.083   0.555  -3.723
   55    HG1  THR   9           HG1      THR   9   6.820   0.155  -5.340
   56   1HG2  THR   9          1HG2      THR   9   9.516  -1.907  -3.642
   57   2HG2  THR   9          2HG2      THR   9   8.427  -2.114  -5.032
   58   3HG2  THR   9          3HG2      THR   9   9.904  -1.153  -5.202
   59    H    ASP  10           H        ASP  10   8.442   1.363  -1.680
   60    HA   ASP  10           HA       ASP  10   6.570   3.144  -0.646
   61   2HB   ASP  10          2HB       ASP  10   8.878   3.419  -0.159
   62    H    ALA  11           H        ALA  11   8.150   3.405  -3.882
   63    HA   ALA  11           HA       ALA  11   6.823   5.292  -5.150
   64   1HB   ALA  11          1HB       ALA  11   8.444   3.757  -6.212
   65   2HB   ALA  11          2HB       ALA  11   7.155   2.551  -6.415
   66   3HB   ALA  11          3HB       ALA  11   7.044   4.110  -7.245
   67    H    ASP  12           H        ASP  12   5.290   1.954  -5.047
   68    HA   ASP  12           HA       ASP  12   2.917   2.560  -6.281
   69   2HB   ASP  12          2HB       ASP  12   1.960   0.680  -5.114
   70    H    CYS  13           H        CYS  13   3.492   2.620  -2.729
   71    HA   CYS  13           HA       CYS  13   0.819   3.544  -2.320
   72   2HB   CYS  13          2HB       CYS  13   2.829   3.812  -0.107
   73    H    SER  14           H        SER  14   3.935   5.227  -2.293
   74    HA   SER  14           HA       SER  14   3.027   7.793  -1.512
   75   2HB   SER  14          2HB       SER  14   5.390   7.253  -1.655
   76    HG   SER  14           HG       SER  14   5.378   5.958  -3.494
   77    H    ARG  15           H        ARG  15   3.279   6.375  -4.809
   78    HA   ARG  15           HA       ARG  15   2.127   8.531  -6.211
   79   2HB   ARG  15          2HB       ARG  15   1.720   5.600  -6.927
   80   2HG   ARG  15          2HG       ARG  15   2.119   6.271  -9.191
   81   2HD   ARG  15          2HD       ARG  15   0.316   8.481  -8.186
   82    HE   ARG  15           HE       ARG  15   0.766   7.388 -10.768
   83   1HH1  ARG  15          1HH1      ARG  15  -1.809   8.443  -8.617
   84   2HH1  ARG  15          2HH1      ARG  15  -2.941   8.855  -9.868
   85   1HH2  ARG  15          1HH2      ARG  15  -0.703   7.926 -12.496
   86   2HH2  ARG  15          2HH2      ARG  15  -2.279   8.555 -12.144
   87    H    LYS  16           H        LYS  16   0.535   5.648  -4.727
   88    HA   LYS  16           HA       LYS  16  -2.117   6.453  -5.448
   89   2HB   LYS  16          2HB       LYS  16  -1.024   4.479  -3.425
   90   2HG   LYS  16          2HG       LYS  16  -3.508   3.547  -3.912
   91   2HD   LYS  16          2HD       LYS  16  -2.437   5.330  -1.733
   92   2HE   LYS  16          2HE       LYS  16  -5.191   4.028  -1.714
   93   1HZ   LYS  16          1HZ       LYS  16  -3.970   5.732   0.382
   94   2HZ   LYS  16          2HZ       LYS  16  -5.338   4.818   0.492
   95   3HZ   LYS  16          3HZ       LYS  16  -3.896   4.112   0.413
   96    H    CYS  17           H        CYS  17  -0.085   7.378  -2.691
   97    HA   CYS  17           HA       CYS  17  -2.135   9.241  -1.688
   98   2HB   CYS  17          2HB       CYS  17  -1.210   6.733  -0.281
   99    HA   PRO  18           HA       PRO  18   2.017  10.899  -1.438
  100   2HB   PRO  18          2HB       PRO  18   1.121  12.800  -2.404
  101   2HG   PRO  18          2HG       PRO  18  -1.027  13.657  -1.735
  102   2HD   PRO  18          2HD       PRO  18  -1.317  11.400  -2.458
  103    H    GLY  19           H        GLY  19   3.327  12.363   0.147
  104   1HA   GLY  19          1HA       GLY  19   4.190  12.709   2.266
  105   2HA   GLY  19          2HA       GLY  19   2.722  12.048   3.000
  106    H    ASN  20           H        ASN  20   4.644  10.485   0.494
  107    HA   ASN  20           HA       ASN  20   5.166   8.246   0.370
  108   2HB   ASN  20          2HB       ASN  20   7.505   8.053   1.152
  109   1HD2  ASN  20          1HD2      ASN  20   9.295   9.330   0.051
  110   2HD2  ASN  20          2HD2      ASN  20   8.825  10.216  -1.389
  111    HA   PRO  21           HA       PRO  21   3.850   6.229   4.313
  112   2HB   PRO  21          2HB       PRO  21   1.573   6.498   3.950
  113   2HG   PRO  21          2HG       PRO  21   0.717   6.931   1.719
  114   2HD   PRO  21          2HD       PRO  21   2.303   8.577   2.270
  115    HA   PRO  22           HA       PRO  22   6.050   2.909   2.124
  116   2HB   PRO  22          2HB       PRO  22   7.191   2.760   4.170
  117   2HG   PRO  22          2HG       PRO  22   6.012   2.712   6.272
  118   2HD   PRO  22          2HD       PRO  22   5.471   4.761   5.232
  119    H    CYS  23           H        CYS  23   5.845   0.358   2.055
  120    HA   CYS  23           HA       CYS  23   3.000  -0.472   1.817
  121   2HB   CYS  23          2HB       CYS  23   3.844  -2.561   1.002
  122    H    ARG  24           H        ARG  24   2.103  -1.672   3.426
  123    HA   ARG  24           HA       ARG  24   3.722  -3.058   5.484
  124   2HB   ARG  24          2HB       ARG  24   0.782  -3.340   4.718
  125   2HG   ARG  24          2HG       ARG  24   2.441  -4.365   7.076
  126   2HD   ARG  24          2HD       ARG  24  -0.539  -4.621   6.495
  127    HE   ARG  24           HE       ARG  24   1.120  -6.319   8.003
  128   1HH1  ARG  24          1HH1      ARG  24  -1.802  -4.425   8.494
  129   2HH1  ARG  24          2HH1      ARG  24  -2.457  -5.431   9.750
  130   1HH2  ARG  24          1HH2      ARG  24   0.297  -7.700   9.668
  131   2HH2  ARG  24          2HH2      ARG  24  -1.222  -7.352  10.425
  132    H    ASN  25           H        ASN  25   5.132  -3.651   3.737
  133    HA   ASN  25           HA       ASN  25   5.651  -4.722   1.674
  134   2HB   ASN  25          2HB       ASN  25   5.608  -6.727   3.948
  135   1HD2  ASN  25          1HD2      ASN  25   7.217  -8.465   3.739
  136   2HD2  ASN  25          2HD2      ASN  25   7.731  -8.962   2.136
  137    H    GLY  26           H        GLY  26   3.948  -4.824   0.132
  138   1HA   GLY  26          1HA       GLY  26   2.927  -6.553  -1.253
  139   2HA   GLY  26          2HA       GLY  26   2.253  -7.305   0.200
  140    H    PHE  27           H        PHE  27   1.587  -4.805   1.573
  141    HA   PHE  27           HA       PHE  27  -0.630  -3.811  -0.147
  142   2HB   PHE  27          2HB       PHE  27  -2.113  -3.946   1.775
  143    HD1  PHE  27           HD1      PHE  27  -2.777  -5.365  -0.287
  144    HD2  PHE  27           HD2      PHE  27  -0.206  -6.872   2.819
  145    HE1  PHE  27           HE1      PHE  27  -3.111  -7.684  -1.124
  146    HE2  PHE  27           HE2      PHE  27  -0.567  -9.181   2.003
  147    HZ   PHE  27           HZ       PHE  27  -2.022  -9.593   0.033
  148    H    CYS  28           H        CYS  28  -1.365  -1.729   0.252
  149    HA   CYS  28           HA       CYS  28   0.679   0.186   0.798
  150   2HB   CYS  28          2HB       CYS  28  -2.008   1.275   1.131
  151    H    ALA  29           H        ALA  29   1.267   1.305   2.754
  152    HA   ALA  29           HA       ALA  29  -0.055   0.573   5.237
  153   1HB   ALA  29          1HB       ALA  29   1.758   2.932   4.600
  154   2HB   ALA  29          2HB       ALA  29   1.250   2.398   6.215
  155   3HB   ALA  29          3HB       ALA  29   2.261   1.339   5.213
  156    H    CYS  30           H        CYS  30  -0.039   3.591   3.269
  157    HA   CYS  30           HA       CYS  30  -2.258   4.828   4.615
  158   2HB   CYS  30          2HB       CYS  30  -1.095   5.273   1.850
  159    H    THR  31           H        THR  31  -4.031   3.551   4.825
  160    HA   THR  31           HA       THR  31  -4.799   1.674   2.863
  161    HB   THR  31           HB       THR  31  -6.582   2.378   5.173
  162    HG1  THR  31           HG1      THR  31  -3.845   1.661   5.469
  163   1HG2  THR  31          1HG2      THR  31  -5.230  -0.219   4.305
  164   2HG2  THR  31          2HG2      THR  31  -6.466  -0.038   5.565
  165   3HG2  THR  31          3HG2      THR  31  -6.883   0.275   3.868
  Start of MODEL   15
    1   1H    THR   1          1H        THR   1  -8.496  -1.358   8.523
    2    HA   THR   1           HA       THR   1 -10.812  -2.889   9.425
    3    HB   THR   1           HB       THR   1 -11.679  -1.895   7.162
    4    HG1  THR   1           HG1      THR   1 -10.449  -0.047   6.534
    5   1HG2  THR   1          1HG2      THR   1 -10.852   0.018   9.395
    6   2HG2  THR   1          2HG2      THR   1 -12.117   0.308   8.183
    7   3HG2  THR   1          3HG2      THR   1 -12.320  -0.982   9.382
    8    HA   PRO   2           HA       PRO   2  -9.572  -6.303   6.829
    9   2HB   PRO   2          2HB       PRO   2 -11.336  -7.421   7.843
   10   2HG   PRO   2          2HG       PRO   2 -13.515  -6.416   8.057
   11   2HD   PRO   2          2HD       PRO   2 -11.951  -5.018   9.169
   12    H    PHE   3           H        PHE   3  -8.802  -4.419   5.376
   13    HA   PHE   3           HA       PHE   3  -9.677  -5.024   2.674
   14   2HB   PHE   3          2HB       PHE   3  -9.839  -2.184   3.777
   15    HD1  PHE   3           HD1      PHE   3 -11.191  -4.153   0.852
   16    HD2  PHE   3           HD2      PHE   3  -9.027  -0.648   2.145
   17    HE1  PHE   3           HE1      PHE   3 -10.995  -3.401  -1.501
   18    HE2  PHE   3           HE2      PHE   3  -8.925   0.142  -0.199
   19    HZ   PHE   3           HZ       PHE   3  -9.857  -1.255  -2.032
   20    H    ALA   4           H        ALA   4  -8.075  -3.949   1.119
   21    HA   ALA   4           HA       ALA   4  -5.510  -3.151   2.263
   22   1HB   ALA   4          1HB       ALA   4  -5.804  -5.940   1.066
   23   2HB   ALA   4          2HB       ALA   4  -4.283  -5.136   1.516
   24   3HB   ALA   4          3HB       ALA   4  -5.459  -5.559   2.765
   25    H    ILE   5           H        ILE   5  -5.139  -1.547   0.867
   26    HA   ILE   5           HA       ILE   5  -5.417  -1.770  -2.050
   27    HB   ILE   5           HB       ILE   5  -4.073   0.257  -0.213
   28   2HG1  ILE   5          2HG1      ILE   5  -6.532   0.142   0.032
   29   1HG2  ILE   5          1HG2      ILE   5  -4.649   0.471  -3.205
   30   2HG2  ILE   5          2HG2      ILE   5  -3.918   1.725  -2.177
   31   3HG2  ILE   5          3HG2      ILE   5  -3.040   0.245  -2.489
   32   1HD1  ILE   5          1HD1      ILE   5  -5.375   2.341   0.233
   33   2HD1  ILE   5          2HD1      ILE   5  -5.798   2.675  -1.466
   34   3HD1  ILE   5          3HD1      ILE   5  -7.074   2.433  -0.267
   35    H    LYS   6           H        LYS   6  -3.588  -2.239  -3.428
   36    HA   LYS   6           HA       LYS   6  -1.606  -3.955  -2.132
   37   2HB   LYS   6          2HB       LYS   6  -0.940  -3.915  -4.788
   38   2HG   LYS   6          2HG       LYS   6  -1.564  -5.898  -3.221
   39   2HD   LYS   6          2HD       LYS   6  -3.555  -7.086  -3.857
   40   2HE   LYS   6          2HE       LYS   6  -4.635  -4.290  -3.350
   41   1HZ   LYS   6          1HZ       LYS   6  -6.089  -5.371  -1.916
   42   2HZ   LYS   6          2HZ       LYS   6  -6.264  -6.010  -3.431
   43   3HZ   LYS   6          3HZ       LYS   6  -5.486  -6.870  -2.250
   44    H    CYS   7           H        CYS   7   0.702  -3.811  -2.580
   45    HA   CYS   7           HA       CYS   7   1.874  -1.345  -3.610
   46   2HB   CYS   7          2HB       CYS   7   2.090  -2.035  -0.647
   47    H    ALA   8           H        ALA   8   3.714  -2.094  -4.674
   48    HA   ALA   8           HA       ALA   8   5.052  -4.574  -3.637
   49   1HB   ALA   8          1HB       ALA   8   6.100  -4.640  -5.846
   50   2HB   ALA   8          2HB       ALA   8   4.330  -4.654  -5.990
   51   3HB   ALA   8          3HB       ALA   8   5.239  -3.165  -6.333
   52    H    THR   9           H        THR   9   5.408  -1.187  -4.578
   53    HA   THR   9           HA       THR   9   8.091  -0.965  -3.285
   54    HB   THR   9           HB       THR   9   8.498   0.756  -5.057
   55    HG1  THR   9           HG1      THR   9   5.948  -0.154  -5.985
   56   1HG2  THR   9          1HG2      THR   9   9.314  -1.575  -5.364
   57   2HG2  THR   9          2HG2      THR   9   7.813  -1.978  -6.229
   58   3HG2  THR   9          3HG2      THR   9   8.929  -0.776  -6.902
   59    H    ASP  10           H        ASP  10   8.392   0.986  -2.129
   60    HA   ASP  10           HA       ASP  10   6.428   2.345  -0.723
   61   2HB   ASP  10          2HB       ASP  10   8.705   2.702  -0.182
   62    H    ALA  11           H        ALA  11   7.931   3.562  -3.735
   63    HA   ALA  11           HA       ALA  11   6.450   5.459  -4.712
   64   1HB   ALA  11          1HB       ALA  11   6.771   4.591  -6.974
   65   2HB   ALA  11          2HB       ALA  11   8.204   4.304  -5.963
   66   3HB   ALA  11          3HB       ALA  11   7.089   2.971  -6.326
   67    H    ASP  12           H        ASP  12   5.052   2.083  -4.805
   68    HA   ASP  12           HA       ASP  12   2.752   2.774  -6.354
   69   2HB   ASP  12          2HB       ASP  12   1.720   0.757  -5.304
   70    H    CYS  13           H        CYS  13   3.252   2.503  -2.852
   71    HA   CYS  13           HA       CYS  13   0.562   3.319  -2.158
   72   2HB   CYS  13          2HB       CYS  13   3.099   3.167  -0.475
   73    H    SER  14           H        SER  14   3.733   4.862  -2.180
   74    HA   SER  14           HA       SER  14   2.934   7.526  -1.437
   75   2HB   SER  14          2HB       SER  14   5.425   6.508  -2.865
   76    HG   SER  14           HG       SER  14   5.164   8.745  -2.828
   77    H    ARG  15           H        ARG  15   1.166   6.930  -3.356
   78    HA   ARG  15           HA       ARG  15   1.474   8.736  -5.570
   79   2HB   ARG  15          2HB       ARG  15   1.820   5.757  -6.087
   80   2HG   ARG  15          2HG       ARG  15   1.779   7.910  -8.210
   81   2HD   ARG  15          2HD       ARG  15   1.570   4.856  -8.307
   82    HE   ARG  15           HE       ARG  15   1.063   5.393 -10.462
   83   1HH1  ARG  15          1HH1      ARG  15   3.748   7.397  -9.408
   84   2HH1  ARG  15          2HH1      ARG  15   4.234   7.913 -10.996
   85   1HH2  ARG  15          1HH2      ARG  15   1.637   6.059 -12.607
   86   2HH2  ARG  15          2HH2      ARG  15   2.964   7.146 -12.865
   87    H    LYS  16           H        LYS  16   0.048   5.529  -4.637
   88    HA   LYS  16           HA       LYS  16  -2.611   6.230  -5.392
   89   2HB   LYS  16          2HB       LYS  16  -2.161   4.433  -3.018
   90   2HG   LYS  16          2HG       LYS  16  -3.621   2.926  -4.259
   91   2HD   LYS  16          2HD       LYS  16  -4.797   5.717  -4.603
   92   2HE   LYS  16          2HE       LYS  16  -6.124   3.055  -3.950
   93   1HZ   LYS  16          1HZ       LYS  16  -7.268   5.710  -4.538
   94   2HZ   LYS  16          2HZ       LYS  16  -8.125   4.327  -4.306
   95   3HZ   LYS  16          3HZ       LYS  16  -7.269   4.981  -3.063
   96    H    CYS  17           H        CYS  17  -0.674   6.829  -2.448
   97    HA   CYS  17           HA       CYS  17  -2.652   8.820  -1.519
   98   2HB   CYS  17          2HB       CYS  17  -1.684   6.343  -0.135
   99    HA   PRO  18           HA       PRO  18   1.152  11.078  -1.333
  100   2HB   PRO  18          2HB       PRO  18  -0.285  12.910  -1.572
  101   2HG   PRO  18          2HG       PRO  18  -2.250  13.157  -0.184
  102   2HD   PRO  18          2HD       PRO  18  -2.435  11.142  -1.422
  103    H    GLY  19           H        GLY  19   2.600  12.300   0.309
  104   1HA   GLY  19          1HA       GLY  19   3.637  12.570   2.329
  105   2HA   GLY  19          2HA       GLY  19   2.336  11.679   3.123
  106    H    ASN  20           H        ASN  20   3.757   9.972   0.519
  107    HA   ASN  20           HA       ASN  20   4.696   7.952   0.481
  108   2HB   ASN  20          2HB       ASN  20   6.941   9.419   1.899
  109   1HD2  ASN  20          1HD2      ASN  20   9.048   8.909   0.478
  110   2HD2  ASN  20          2HD2      ASN  20   9.272   7.199   0.142
  111    HA   PRO  21           HA       PRO  21   4.165   5.987   4.578
  112   2HB   PRO  21          2HB       PRO  21   1.906   6.219   4.886
  113   2HG   PRO  21          2HG       PRO  21   0.501   6.915   3.115
  114   2HD   PRO  21          2HD       PRO  21   2.210   8.463   2.941
  115    HA   PRO  22           HA       PRO  22   5.970   2.987   1.773
  116   2HB   PRO  22          2HB       PRO  22   7.534   2.884   3.523
  117   2HG   PRO  22          2HG       PRO  22   6.838   2.547   5.817
  118   2HD   PRO  22          2HD       PRO  22   5.931   4.588   5.031
  119    H    CYS  23           H        CYS  23   6.082   0.381   1.613
  120    HA   CYS  23           HA       CYS  23   3.345  -0.648   1.530
  121   2HB   CYS  23          2HB       CYS  23   4.273  -2.713   0.792
  122    H    ARG  24           H        ARG  24   2.398  -1.497   3.260
  123    HA   ARG  24           HA       ARG  24   3.777  -3.015   5.384
  124   2HB   ARG  24          2HB       ARG  24   0.876  -2.946   4.438
  125   2HG   ARG  24          2HG       ARG  24   2.040  -3.987   7.057
  126   2HD   ARG  24          2HD       ARG  24  -0.739  -4.177   5.796
  127    HE   ARG  24           HE       ARG  24  -0.867  -5.913   7.253
  128   1HH1  ARG  24          1HH1      ARG  24   0.754  -3.244   8.872
  129   2HH1  ARG  24          2HH1      ARG  24   0.616  -3.895  10.475
  130   1HH2  ARG  24          1HH2      ARG  24  -1.054  -6.848   9.363
  131   2HH2  ARG  24          2HH2      ARG  24  -0.420  -6.022  10.747
  132    H    ASN  25           H        ASN  25   5.168  -3.851   3.664
  133    HA   ASN  25           HA       ASN  25   5.613  -5.081   1.704
  134   2HB   ASN  25          2HB       ASN  25   5.191  -7.014   4.004
  135   1HD2  ASN  25          1HD2      ASN  25   6.685  -8.899   3.915
  136   2HD2  ASN  25          2HD2      ASN  25   7.187  -9.493   2.341
  137    H    GLY  26           H        GLY  26   3.920  -4.917   0.150
  138   1HA   GLY  26          1HA       GLY  26   2.732  -6.463  -1.309
  139   2HA   GLY  26          2HA       GLY  26   1.969  -7.199   0.102
  140    H    PHE  27           H        PHE  27   1.629  -4.576   1.496
  141    HA   PHE  27           HA       PHE  27  -0.647  -3.536  -0.104
  142   2HB   PHE  27          2HB       PHE  27  -2.028  -3.696   1.861
  143    HD1  PHE  27           HD1      PHE  27  -2.425  -5.364  -0.172
  144    HD2  PHE  27           HD2      PHE  27   0.007  -6.355   3.227
  145    HE1  PHE  27           HE1      PHE  27  -2.537  -7.775  -0.790
  146    HE2  PHE  27           HE2      PHE  27  -0.102  -8.746   2.616
  147    HZ   PHE  27           HZ       PHE  27  -1.389  -9.466   0.616
  148    H    CYS  28           H        CYS  28  -1.276  -1.376   0.262
  149    HA   CYS  28           HA       CYS  28   0.985   0.367   0.845
  150   2HB   CYS  28          2HB       CYS  28  -1.874   0.789  -0.052
  151    H    ALA  29           H        ALA  29   1.549   1.098   2.878
  152    HA   ALA  29           HA       ALA  29  -0.336   0.676   5.073
  153   1HB   ALA  29          1HB       ALA  29   2.437   1.921   5.131
  154   2HB   ALA  29          2HB       ALA  29   1.529   1.231   6.489
  155   3HB   ALA  29          3HB       ALA  29   2.126   0.177   5.197
  156    H    CYS  30           H        CYS  30  -1.383   2.633   3.280
  157    HA   CYS  30           HA       CYS  30  -0.894   5.281   4.572
  158   2HB   CYS  30          2HB       CYS  30  -2.609   4.481   2.201
  159    H    THR  31           H        THR  31  -3.636   3.031   3.919
  160    HA   THR  31           HA       THR  31  -4.819   3.633   6.526
  161    HB   THR  31           HB       THR  31  -7.070   3.972   5.451
  162    HG1  THR  31           HG1      THR  31  -6.974   4.707   3.239
  163   1HG2  THR  31          1HG2      THR  31  -6.838   6.331   4.987
  164   2HG2  THR  31          2HG2      THR  31  -5.731   5.917   6.308
  165   3HG2  THR  31          3HG2      THR  31  -5.106   6.164   4.665